#DEFINITION	Reference Metabolome for Nyssa sinensis
#IDENTTFIER	RefMeta-Nyssa sinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Nyssa sinensis
#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 Nyssa sinensis 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	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00146	41.8
70.00500	100.0
80.28577	21.1
214.89035	23.1
305.74658	27.0
386.76538	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.8
71.27462	0.4
71.53701	0.7
71.85974	0.5
72.99324	0.9
73.02948	1.1
73.20205	0.4
75.77042	0.4
78.95902	2.3
81.03435	0.5
83.01389	1.1
83.05026	1.1
85.02946	2.3
87.00874	2.5
87.74332	0.5
89.02444	9.7
90.05772	0.5
93.03484	1.0
95.01405	0.9
96.96037	2.4
96.96961	1.9
97.02961	1.5
97.06590	0.6
99.00917	0.6
101.02443	7.5
109.06609	0.8
111.04510	0.6
111.08159	11.8
113.02459	5.1
116.92857	0.6
119.03489	2.3
125.02456	3.8
135.04471	0.5
143.03455	1.3
148.74530	0.5
151.11221	0.8
153.12866	0.9
161.04550	1.4
167.10732	0.6
169.12347	5.8
179.05609	2.8
179.10802	0.6
181.12354	1.5
183.13907	0.9
191.05566	2.0
197.11826	62.4
198.12190	2.1
199.13495	3.1
209.11888	0.8
211.13388	7.7
221.06721	1.3
223.13556	0.6
227.12877	2.0
235.08191	2.9
235.13429	0.5
244.47867	0.5
247.20692	0.7
253.09213	1.0
263.20065	3.1
265.18045	1.6
270.67871	0.6
273.18539	0.7
287.07629	0.7
289.17923	0.5
291.19659	17.4
292.20032	1.5
293.21173	1.4
305.08893	1.2
309.20706	100.0
310.21033	5.8
323.09598	0.7
379.12451	1.4
397.13507	20.2
398.13922	0.8
415.14529	12.9
502.27316	0.5
601.41107	2.0
689.34070	2.1
701.15460	0.6
707.34802	4.1
708.35638	0.8
999.54083	0.7
1005.29938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01015	0.5
71.01382	8.0
71.52732	0.3
72.01717	0.3
72.99297	0.8
73.02941	1.0
78.95903	1.2
81.03458	0.9
83.01363	0.8
83.05044	0.4
84.02162	2.5
85.02944	2.6
87.00866	1.8
89.02441	7.7
93.03464	0.4
95.01374	0.6
95.05007	0.3
97.02951	2.2
97.06591	5.5
98.43420	0.3
99.00858	0.3
99.04500	0.8
101.02440	6.2
105.12279	0.2
111.00869	0.3
111.04558	0.3
113.02447	4.1
116.92860	0.8
117.92931	0.3
119.03506	1.7
125.02449	3.2
125.09666	0.6
131.03484	0.3
137.09673	0.9
143.03476	1.3
149.04475	0.3
151.11313	0.3
153.09157	0.3
161.04541	1.1
165.12799	0.4
171.10262	7.6
177.12912	0.3
179.05634	3.4
183.12498	0.4
183.13853	1.8
185.11807	0.6
191.05641	1.4
193.12328	7.3
197.11772	0.3
211.13390	3.5
221.06615	0.7
221.11794	0.8
225.14934	10.5
235.08229	3.2
238.43924	0.3
242.99942	0.3
243.02498	0.2
243.15977	4.9
244.16431	0.3
253.09338	0.8
253.14435	0.7
263.07755	0.4
273.18680	0.3
277.21710	20.9
278.22089	1.1
287.07608	1.1
291.19559	1.5
305.08765	1.0
305.21252	0.5
323.09839	0.7
323.22119	1.2
341.23291	100.0
342.23630	5.7
365.23367	0.7
379.12341	0.8
383.24585	0.3
397.13483	19.2
398.13931	0.9
415.14563	9.5
601.44769	3.7
675.35815	0.7
716.94543	0.3
721.36438	2.4
739.37195	2.9
740.39172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18884	100.0
85.99248	24.6
89.73475	25.8
96.92652	29.1
97.28556	29.0
101.40090	28.5
122.55440	32.5
148.92511	28.5
265.31720	29.4
278.21964	28.0
504.14758	34.5
587.85016	30.1
736.13049	29.0
751.59894	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.1
70.28632	1.2
71.01376	4.4
71.05016	1.1
73.02939	1.2
80.02660	1.6
81.03469	2.0
83.05028	6.4
84.02170	3.0
85.02952	2.3
87.00854	0.8
89.02431	0.9
93.03448	1.5
95.01360	0.5
95.05032	2.0
95.47266	0.4
97.02937	1.1
97.06586	2.3
98.03766	0.6
99.04503	1.5
99.08154	2.5
101.02467	1.0
105.03464	0.4
107.05022	0.7
109.06583	6.0
111.04515	0.5
111.08154	1.2
112.05321	0.7
113.02428	0.8
113.09688	0.5
115.07677	1.8
115.28559	0.4
116.92896	0.4
121.02924	0.8
121.06577	0.7
123.04523	1.1
123.08148	1.2
125.02381	0.5
125.06110	0.9
125.09708	5.5
127.07652	10.0
127.11337	0.4
133.02940	1.0
135.04532	1.8
135.08160	2.5
137.09708	1.0
138.06786	0.4
139.07639	3.8
141.09166	1.2
141.12836	0.7
142.02710	0.5
151.11279	0.7
153.09218	8.9
153.12904	0.5
154.09558	0.5
155.10745	3.3
156.74054	0.4
161.04523	0.6
161.09692	0.5
163.11287	8.2
165.12823	2.7
171.10252	12.2
172.10570	0.5
178.09985	3.3
179.10754	0.6
181.12317	2.0
185.11815	15.0
186.12169	0.6
191.05591	3.5
191.10771	2.4
191.14386	2.4
193.12308	0.5
197.11821	16.3
198.12154	0.6
202.41039	0.4
203.10915	0.4
207.10243	16.0
209.11812	95.5
210.12149	3.8
211.13362	0.6
221.11946	0.5
223.13341	0.5
225.11316	7.8
226.11725	0.5
227.12869	5.4
228.13193	0.4
235.08167	1.4
236.10580	1.6
237.15004	0.5
238.12088	5.1
239.16586	0.6
239.88603	0.5
245.19081	4.3
247.13393	0.7
251.16594	0.9
253.09174	3.0
253.18073	1.2
255.12401	1.1
256.13095	2.3
263.20175	1.4
265.18097	0.7
267.22961	0.4
271.17023	0.7
279.19571	1.8
289.18079	10.8
290.18286	0.6
297.20782	0.6
307.19135	100.0
308.19461	6.4
314.26981	0.5
325.20172	99.1
326.20547	6.1
399.21823	2.4
417.22818	1.9
443.19217	0.9
445.20679	0.8
461.20255	3.0
485.20291	0.5
609.28809	0.5
625.32611	0.8
635.30688	8.7
636.31238	0.9
637.02338	0.5
653.31671	9.2
654.32452	0.7
671.32806	12.1
672.33075	1.7
854.25134	0.4
949.21661	0.4
979.41693	1.2
997.41626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.6801
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85307	0.1
71.45194	0.3
75.30788	0.1
78.95904	2.7
88.98798	0.5
116.92854	0.4
117.92834	0.3
121.54328	0.1
125.02386	0.2
125.39732	0.1
141.79201	0.2
152.99548	0.5
168.04301	0.4
191.05579	0.3
213.90193	0.1
224.06912	1.0
278.65628	0.2
279.23279	12.2
280.23593	0.5
290.88855	0.1
364.28140	0.1
415.22629	0.2
419.45511	0.2
433.23492	0.2
471.34756	100.0
472.35101	11.2
504.30930	18.9
504.38766	0.4
505.31137	1.7
907.36542	0.2
917.38348	0.2
931.61353	0.3
990.67322	1.6
991.68549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
72.39397	34.9
98.19938	100.0
101.66106	36.1
171.50845	40.3
268.28244	46.0
273.94696	42.2
333.52371	39.7
433.56604	40.2
647.97455	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30283	3.3
71.01379	2.6
75.00850	0.5
79.57687	0.4
83.01397	2.2
85.02955	2.1
87.00854	0.3
91.01881	0.6
91.46329	0.3
93.03458	1.8
95.01372	0.7
96.55801	0.3
99.00848	0.8
103.00349	0.4
107.01382	8.0
108.02209	0.5
109.02948	4.1
113.02443	1.7
116.97399	0.4
119.01366	0.7
121.02161	0.6
121.02953	7.5
125.02428	0.8
135.00882	0.9
135.04512	4.1
139.03990	0.5
149.02417	1.5
151.00357	31.3
152.00700	1.1
159.04535	1.0
161.02467	1.0
163.00352	4.1
163.04002	0.6
165.01877	0.5
167.05043	0.6
168.15672	0.4
169.01413	1.5
171.58348	0.4
173.04587	0.8
173.06030	0.6
175.02455	0.8
175.03935	0.6
177.13634	0.4
178.99860	14.5
179.03459	5.0
183.04506	0.8
187.04005	1.0
190.99911	0.8
191.03990	0.7
191.05595	9.5
193.01424	0.6
199.04048	0.5
201.05467	1.2
203.03423	0.4
211.04001	2.0
213.01982	0.7
227.03424	2.1
229.05087	2.1
239.03342	0.7
243.02945	0.4
245.04546	2.7
255.02991	4.1
256.03641	0.6
257.04480	0.9
266.02231	0.4
271.02405	1.2
273.04010	2.8
283.02466	2.4
299.01950	0.5
300.02777	0.9
301.03497	100.0
302.03839	6.4
353.08762	9.4
477.06696	70.5
478.07034	6.9
515.12067	1.1
518.17389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6717
Annotation	Unknow
Peak:m/z	Relative Intensity
71.13103	0.3
111.42408	0.3
125.02424	0.3
169.01479	0.3
189.75977	0.4
191.05661	0.5
202.61182	0.4
359.59613	0.3
407.29587	0.7
409.30881	0.9
453.30078	19.6
454.30359	1.9
471.31125	14.1
472.31345	1.4
483.31213	3.2
487.34259	82.1
488.34631	9.0
501.32181	100.0
502.32535	10.5
863.89368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6617
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31648	0.2
70.32055	0.2
71.01367	0.2
78.95918	0.1
89.02456	0.2
99.92574	0.3
101.02431	0.1
101.53008	0.1
116.92857	1.7
118.51443	0.1
150.19406	0.1
169.01468	0.1
171.10240	0.1
191.05559	0.4
197.11761	0.1
209.22107	0.1
211.13466	0.1
235.08261	0.1
242.77690	0.1
253.09380	0.4
277.21683	2.4
278.22086	0.2
293.21191	0.3
294.21469	0.2
309.20718	0.4
310.21118	0.2
327.21835	0.2
375.75058	0.1
391.29834	0.1
393.31427	0.1
397.13593	0.2
398.14215	0.1
407.33224	0.5
417.15408	0.1
425.34265	0.2
469.33328	0.1
470.33752	0.1
471.34766	100.0
472.35104	10.2
488.54214	0.1
788.65411	0.1
850.56287	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	985.6614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	0.2
78.95893	0.2
80.91678	0.1
88.73415	0.1
96.96059	0.1
116.92881	0.3
131.42595	0.1
163.60927	0.2
191.05643	0.7
194.24677	0.1
229.29552	0.2
253.09204	0.1
265.66132	0.1
277.21667	0.7
280.08484	0.1
293.21375	0.2
469.29730	0.5
470.29813	0.5
470.34686	0.2
471.34778	100.0
472.35110	10.6
648.20984	0.1
670.69824	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.3
71.01382	1.1
73.02937	0.2
81.03446	0.3
83.05033	0.3
85.02944	8.8
87.00882	1.7
89.02428	0.5
93.03452	5.3
93.04023	0.3
95.01383	0.2
95.05024	0.2
99.00869	0.2
99.04517	0.5
101.02459	0.4
102.60367	0.2
107.04984	0.3
108.02169	0.6
109.02983	1.1
111.04505	1.1
113.02412	0.2
119.03490	0.2
121.06514	0.2
125.05984	0.2
127.04012	2.8
132.02162	0.3
133.02950	3.7
134.03677	0.7
135.04524	6.6
136.04831	0.2
137.02443	0.3
142.62546	0.2
143.03534	0.2
150.03119	0.2
151.07649	0.4
152.01149	0.3
153.01910	0.2
155.03445	0.2
161.02431	10.6
162.02794	0.6
169.01376	0.2
171.02979	0.6
172.05319	1.7
173.04538	1.9
179.03482	4.2
183.04512	0.6
185.06152	0.2
187.07631	13.3
188.07982	0.6
191.05597	100.0
192.05968	2.8
199.04024	1.3
200.04791	0.6
204.04385	0.4
211.04045	0.3
211.07658	0.4
213.09190	1.8
214.06462	0.3
215.07124	2.3
219.11221	0.2
227.03462	2.0
228.04251	1.9
229.08607	0.7
231.10255	0.6
257.08160	14.6
258.08478	0.7
275.09247	1.8
288.30359	0.2
296.28738	0.2
300.02826	0.3
301.03165	0.3
302.03760	0.2
331.11850	0.4
375.12997	1.3
405.11871	0.2
447.09171	0.3
448.09512	0.2
449.14526	34.0
450.14905	3.0
467.15607	0.2
537.16125	8.7
538.16669	0.9
539.16486	0.3
544.17615	0.2
629.22974	0.3
938.96155	0.2
994.60730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03478	0.2
71.01379	2.4
73.02991	0.5
80.02740	0.1
81.03479	0.2
83.01420	0.2
83.05055	0.3
85.02962	0.7
87.00913	0.5
89.02442	1.9
93.07132	0.1
95.01403	0.2
95.05049	0.2
97.02998	0.5
97.06627	0.1
97.77898	0.1
98.19901	0.3
99.00887	0.2
99.04553	0.1
101.02444	2.0
107.08705	0.2
109.06625	0.4
111.04550	0.2
111.08154	1.5
111.74398	0.1
113.02448	1.2
113.09724	0.2
119.03474	0.6
120.05901	0.2
123.08228	0.3
125.02437	1.2
125.03161	0.1
125.09740	0.7
127.07685	0.2
127.11284	1.3
129.09163	0.5
137.09735	0.2
138.23895	0.1
139.07652	0.3
139.11316	0.2
141.09225	0.2
143.03519	0.4
149.09729	0.3
151.11307	0.9
153.09239	0.5
153.12845	3.0
155.10796	0.9
161.04515	0.6
161.09828	0.1
163.11278	0.2
165.12849	0.6
166.10046	0.2
167.10760	1.4
169.12332	0.7
179.05614	0.3
179.10851	0.4
179.14398	1.7
181.12332	2.4
189.12814	0.1
193.15982	0.8
195.10356	0.1
197.11833	2.4
199.06062	0.1
199.13400	0.9
203.14545	0.1
207.13905	1.9
211.13477	0.1
213.15015	0.2
215.12837	0.6
217.15901	0.2
219.17516	0.1
221.06609	0.2
223.13451	0.1
225.11459	0.2
226.12105	0.4
227.12854	0.8
228.13560	0.6
231.17560	0.2
235.08212	1.3
237.22250	0.2
241.14539	0.3
245.19212	0.3
247.20650	3.8
247.23164	0.2
248.20967	0.4
253.09454	0.2
253.21793	0.1
263.20175	0.5
265.21677	0.6
273.18613	1.7
275.16504	0.1
277.09192	0.2
277.21692	6.5
278.22089	0.6
281.21234	1.4
287.07648	0.3
289.17889	0.1
291.19650	22.7
292.20038	1.4
305.08667	0.6
309.20685	100.0
310.21024	6.7
323.09760	0.1
375.73981	0.1
375.78848	0.1
397.13467	11.0
398.13913	0.6
406.65518	0.1
415.14560	3.7
416.14914	0.1
675.35852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.7
71.01379	15.8
71.05033	0.5
72.99304	1.7
73.02945	2.2
77.79922	0.3
78.95896	1.0
81.03458	0.7
83.01366	1.9
83.05017	1.0
84.02149	0.4
85.02947	6.2
87.00875	3.6
89.02441	13.7
91.01128	0.3
93.03447	0.6
95.01391	1.2
95.04999	0.7
96.96021	0.5
97.02947	3.2
97.06600	2.8
99.00896	0.9
99.92558	0.4
101.02440	12.5
109.02931	0.5
111.04504	0.5
113.02444	5.6
116.92855	1.3
119.03523	4.2
125.02428	4.1
125.09732	1.2
127.07689	0.5
127.11267	1.4
131.03479	1.0
137.09668	0.9
139.03928	0.5
143.03542	2.0
145.05136	0.5
155.10785	1.4
161.04564	2.6
165.12846	0.9
167.14433	0.5
171.10272	8.0
177.12796	0.4
179.05615	3.8
183.13892	4.5
185.11800	1.0
191.05652	2.2
193.12314	0.7
195.13843	0.6
197.11806	0.9
199.13411	0.6
209.11850	2.3
210.12154	0.5
211.13388	12.3
211.15424	0.6
212.13921	0.4
217.07036	0.6
221.06657	1.8
221.11749	2.1
229.14433	11.4
235.08218	3.9
239.12790	1.9
247.20729	0.6
251.16478	0.7
253.09283	1.2
263.07782	1.0
277.21713	27.9
278.22089	1.8
287.07770	1.0
291.19672	5.0
293.21146	1.7
295.22684	0.8
305.08786	1.2
309.20724	9.1
310.21118	1.0
311.22247	1.7
323.09851	0.9
327.21750	100.0
328.22076	7.0
351.21570	0.5
379.12521	0.6
397.13498	48.9
398.13806	3.4
415.14575	16.2
416.14310	0.7
587.42993	1.8
675.35962	2.5
707.35120	4.6
708.35022	0.6
725.36389	3.1
750.87744	0.5
780.06873	0.5
948.66302	0.5
985.56799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.9
70.27471	1.1
70.27827	0.8
71.01380	20.9
72.99309	1.6
73.02937	2.7
75.00842	0.4
78.95919	0.8
81.03446	1.0
83.01392	1.6
83.05019	1.1
85.02963	5.2
87.00871	4.7
89.02444	18.4
90.36776	0.4
92.56832	0.4
93.03446	0.7
95.01413	2.2
95.05038	0.8
96.96011	0.8
97.02953	3.2
97.06568	0.7
98.19830	0.4
99.00900	1.3
99.04479	0.6
101.02440	14.6
103.00299	0.4
107.04987	0.6
109.06622	0.7
111.00899	0.7
111.04532	0.7
111.08157	7.7
113.02444	8.2
113.09705	0.6
116.92855	0.5
119.03493	4.3
123.08172	0.5
125.02433	5.4
127.03985	0.4
131.03484	1.2
133.05080	0.4
135.11775	0.4
137.09715	0.8
141.01938	0.4
141.09276	0.5
143.03502	3.0
149.04552	0.4
153.09160	0.5
161.04567	3.7
163.04294	0.4
163.11145	0.4
167.10780	1.5
169.12347	0.5
171.10190	0.9
177.12813	1.8
179.05597	5.3
179.10745	1.5
179.14354	1.2
179.46887	0.4
181.12323	0.6
191.05542	0.5
195.13890	14.0
196.14410	0.6
197.11855	0.8
203.14503	0.4
205.12399	1.2
209.11800	1.2
217.07118	0.5
221.06607	1.9
223.13373	6.2
224.13937	0.6
225.14886	0.5
228.13617	0.9
235.08212	3.9
247.20605	1.8
253.09309	0.8
256.13196	2.0
263.07837	0.6
265.21896	0.4
269.55597	0.4
273.18600	0.8
275.20154	5.7
277.21802	1.8
287.07690	0.8
291.19656	80.3
292.20007	4.9
293.21219	100.0
294.21518	5.8
298.68250	0.4
305.08780	1.0
307.19122	2.1
309.20764	1.3
317.21143	0.5
323.09705	0.8
325.20200	1.4
348.97812	0.4
379.12534	1.5
397.13483	25.1
398.13812	1.3
415.14536	14.3
416.14853	0.9
478.72012	0.4
689.33978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.436
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99575	0.2
69.96619	0.1
71.52302	0.2
73.02947	2.2
78.95911	0.3
80.96486	0.2
93.03494	0.2
97.93130	0.2
99.00895	0.5
99.92581	15.5
100.92581	0.7
114.93437	0.9
116.92858	100.0
117.01933	3.6
117.92873	3.8
191.05614	0.6
209.11777	0.4
277.21698	0.4
313.19263	0.2
397.13531	0.2
550.24377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	0.3
69.55364	0.6
69.55776	0.8
71.01385	0.9
72.99306	0.6
78.89975	0.3
81.03453	0.4
83.05027	0.5
85.02947	5.7
87.00868	1.7
93.03446	7.0
97.02939	0.3
99.85191	0.3
107.05034	0.9
108.02151	0.4
109.02945	1.8
111.04514	2.2
111.95470	0.2
117.03452	0.3
127.04016	1.6
132.44075	0.2
133.02956	1.4
134.03746	3.8
135.04521	42.8
136.01653	0.7
136.04828	1.2
137.02448	1.8
151.03998	0.9
153.01930	0.3
155.03470	1.5
161.02434	4.6
169.07689	0.4
171.03012	0.6
173.04535	6.1
179.03487	42.8
180.03876	1.6
191.05602	100.0
192.05946	3.5
231.10251	0.4
257.08112	0.7
288.54810	0.3
293.10260	0.7
335.07669	0.6
353.08749	90.6
354.09073	5.5
449.14456	0.4
467.15591	6.2
468.15994	0.6
484.96887	0.2
515.11591	6.1
516.12433	0.7
532.11902	0.4
533.16913	1.7
824.47638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99573	7.6
69.03451	2.8
70.02486	1.2
71.01391	15.9
71.53642	2.1
72.99323	1.7
73.02949	2.5
78.95908	9.5
83.01381	1.4
85.02964	4.5
87.00891	4.9
88.42017	1.1
89.02448	15.5
95.01360	2.0
96.95383	1.4
96.96011	27.4
96.96944	8.6
97.02924	2.4
101.02429	10.6
111.08154	9.8
112.98579	5.8
113.02450	6.6
116.92824	1.3
118.53727	1.3
119.03487	2.8
125.02440	4.5
128.90164	1.3
131.03522	1.3
143.03435	2.1
161.04532	2.8
167.10793	1.3
169.12326	3.7
171.10231	1.6
179.05565	4.7
179.10866	1.6
179.14262	1.2
181.12236	2.0
191.05606	1.7
195.13893	8.2
197.09973	2.5
197.11815	49.0
198.12248	1.8
199.13342	3.0
209.11852	1.5
211.13388	10.1
221.06642	2.4
223.13487	5.8
235.08194	5.0
263.20044	4.1
265.18164	1.7
275.20175	5.0
277.21683	2.0
287.69193	1.1
291.19626	16.7
293.21234	100.0
294.21652	6.7
309.20700	96.6
310.21060	8.4
379.12640	2.1
397.13486	30.0
397.18546	2.1
398.13498	2.2
415.14551	20.8
416.15091	1.6
471.34714	8.5
472.35083	5.8
577.27264	1.3
585.41382	2.0
689.34454	1.8
691.35455	1.7
707.34882	2.4
719.43353	1.3
727.34180	1.2
727.75714	1.3
983.67517	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	980.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87089	36.6
71.01393	6.4
71.08714	6.9
71.83078	5.7
76.78619	6.5
78.91889	6.0
98.80673	6.5
116.92938	8.7
119.92928	6.0
125.98695	5.7
191.05595	18.5
209.11758	10.9
293.21124	8.5
344.04169	6.9
487.34280	66.6
488.34622	95.6
489.34897	100.0
490.35214	85.3
490.42218	11.4
491.35477	40.2
840.08582	9.2
850.49030	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	980.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21752	18.5
69.22157	100.0
71.01399	19.2
76.24004	11.9
78.95905	40.1
89.02458	16.5
96.95995	20.9
98.19926	19.8
112.25386	10.6
116.92862	29.7
170.52855	11.1
171.14893	10.9
191.05656	40.1
197.11755	20.7
199.07639	12.1
209.11749	32.0
216.88133	11.1
264.00485	12.2
291.19696	44.0
293.21210	18.0
307.19040	14.6
309.20773	24.8
393.86075	10.7
397.13477	28.8
398.13770	11.9
405.42139	10.4
630.52081	13.8
826.48169	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	979.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	0.8
71.53338	0.5
83.05009	0.8
85.02943	4.6
87.00887	0.8
89.66133	0.3
91.05546	0.4
93.03445	2.7
107.01363	0.4
107.05017	0.9
109.02931	0.8
111.04506	1.7
117.03500	0.4
127.04006	1.5
133.02943	1.3
134.03734	3.4
135.04520	45.9
136.04837	1.1
137.02422	0.6
151.00368	1.7
154.83273	0.4
155.03476	1.2
161.02412	5.4
173.04562	3.5
179.03484	45.6
180.03850	1.1
191.05598	89.6
192.05928	2.5
196.66661	0.3
243.02940	1.1
255.02950	3.5
271.02457	7.2
272.02820	0.6
300.02719	11.7
301.03464	6.1
323.05551	0.8
335.07843	0.4
353.08734	100.0
354.09073	5.7
457.75134	0.4
463.08810	15.6
464.08606	0.9
515.11884	7.1
516.12231	0.4
652.30231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19253	0.4
69.19666	1.8
71.01371	0.5
83.05026	0.3
85.02949	5.7
87.00888	1.4
91.05516	0.3
93.03453	2.7
96.35594	0.2
99.00895	0.3
99.04572	0.2
107.05048	0.9
109.02975	0.7
111.04520	1.8
113.02447	0.5
117.03509	0.3
119.05091	0.2
127.04033	1.8
133.02979	1.5
134.03751	3.4
135.04521	47.5
136.04861	1.6
137.02440	0.3
151.64818	0.2
153.01923	0.2
155.03491	1.3
161.02437	5.3
171.03117	0.3
173.04533	3.6
177.02061	0.2
179.03485	47.0
180.03793	1.3
191.05600	93.2
192.05911	2.8
229.05006	0.3
257.04401	0.4
285.04034	3.6
335.07813	0.6
353.08740	100.0
354.09106	6.8
398.92487	0.3
461.07385	0.7
515.11902	5.8
516.12408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99807	0.4
69.03458	1.2
69.69527	2.5
71.01375	12.5
72.99289	1.5
73.02943	2.1
78.95882	0.5
83.01381	2.0
83.05013	0.8
84.02160	2.0
85.02958	3.9
87.00876	2.4
89.02441	11.2
95.01379	0.6
97.02927	2.5
97.06590	5.0
99.00874	1.0
99.04543	0.6
101.02436	9.8
113.02424	5.6
118.82243	0.4
119.03521	3.4
119.08694	0.5
125.02434	3.6
125.09681	0.9
137.09715	0.5
141.01909	0.5
143.03506	2.0
154.31076	0.4
161.04532	2.1
171.10265	7.0
177.12726	0.5
179.05586	2.6
183.13840	0.9
193.12303	7.9
193.40796	0.4
199.06290	0.4
211.13348	3.0
217.06999	0.4
221.06612	1.2
221.11728	0.6
225.14935	10.4
226.15298	0.4
235.08171	3.4
243.16006	5.9
253.09325	0.9
253.14511	0.7
255.23260	33.8
256.23587	1.7
287.07639	1.0
291.19647	1.1
305.08734	1.6
323.09772	0.5
323.21927	1.1
341.23276	100.0
342.23666	6.5
379.12421	1.7
397.13467	37.3
398.13895	2.0
409.30161	0.5
415.14548	8.8
548.35022	0.5
579.46021	1.6
653.37653	2.7
721.36658	1.9
739.37659	1.8
740.51605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.0
69.65036	0.6
71.01379	0.6
71.05026	0.2
78.95900	0.7
81.03455	0.2
83.05023	0.7
83.05448	0.1
84.02145	0.3
85.02943	4.4
85.03457	0.2
87.00916	0.1
93.03436	0.4
95.05013	0.5
96.96008	0.2
97.02962	0.6
97.06580	2.4
98.20541	0.2
109.02895	0.2
109.06563	0.2
110.03754	0.2
117.61315	0.1
119.08710	0.2
121.02963	0.1
121.06442	0.1
123.08141	0.3
123.64953	0.1
125.09705	0.7
127.11295	1.2
135.04494	0.2
137.02426	0.2
137.09706	1.2
142.12012	0.1
142.38228	0.1
148.75778	0.1
155.10777	0.5
155.14403	0.3
163.11263	0.3
165.09282	0.2
165.12839	0.7
165.13986	0.1
167.10777	0.2
167.14377	0.5
169.01369	0.1
171.10255	12.6
172.10587	0.6
175.11287	0.2
177.12842	0.6
183.13876	2.4
185.11772	1.0
191.05621	0.7
193.12267	0.8
197.11873	0.4
199.13382	0.3
201.11269	0.5
203.10742	0.4
209.11813	1.4
210.12068	0.1
211.13373	13.7
211.32666	0.1
212.13693	0.5
221.11827	2.5
227.12878	0.3
229.14421	10.3
230.14702	0.4
239.12886	1.8
247.20650	0.3
273.18579	0.2
291.19650	2.7
309.20621	0.9
325.20282	0.2
327.21732	100.0
328.22076	5.8
399.58511	0.1
487.34677	0.2
518.72003	0.1
595.81738	0.1
623.28754	0.1
803.91290	0.2
977.39777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6923
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88763	0.1
83.03391	0.1
124.84761	0.1
213.65382	0.1
254.41135	0.1
278.60727	0.1
424.54822	0.1
457.27020	0.1
487.34238	100.0
488.34583	10.0
488.45044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06193	100.0
70.06612	63.4
98.19872	52.3
187.28743	32.1
455.50122	40.2
923.20142	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93808	0.4
69.03449	0.9
71.01379	15.8
71.52361	0.6
72.99303	1.2
73.02942	3.2
74.63522	0.4
75.00871	0.6
78.95967	0.5
81.03454	0.7
82.49767	0.5
82.89747	0.5
83.01384	2.0
85.02940	3.5
87.00863	3.8
89.02439	14.4
91.34079	0.5
91.61280	0.5
93.03451	0.7
93.12980	0.5
95.01362	1.5
96.95972	0.5
97.02954	3.4
99.00865	1.2
101.02436	12.9
109.03045	0.6
113.02441	6.1
114.93343	0.6
116.00197	0.5
116.92844	2.2
117.03448	2.0
119.03473	3.8
125.02473	5.9
131.03473	1.1
139.04054	0.9
143.03481	2.5
145.02950	6.7
149.04518	0.5
161.04555	3.2
167.03529	0.5
179.05623	3.7
179.14354	0.8
191.05563	2.9
195.13887	8.4
196.14566	0.7
205.12355	0.6
211.13417	1.0
221.06648	1.1
223.13358	6.0
228.13649	1.2
230.57268	0.5
231.21159	0.6
235.08215	7.4
242.82813	0.5
253.09303	1.6
256.13065	1.4
263.07404	0.6
275.20108	4.7
279.23273	48.8
280.23581	2.5
287.07739	1.9
293.21210	100.0
294.21533	5.1
305.08795	2.8
323.09946	1.0
379.12494	0.8
397.13467	73.0
398.13834	3.8
415.14554	22.5
415.18808	0.4
416.14951	1.3
530.45453	0.6
633.38159	4.7
639.33911	0.7
677.37390	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	973.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.5
69.34342	1.1
69.34761	2.7
71.01373	1.1
72.99294	0.6
76.34165	0.4
83.05011	0.8
85.02949	6.8
86.03311	0.5
87.00885	3.2
93.03457	12.4
97.02960	0.5
99.04493	0.5
107.01379	9.0
109.02962	0.9
111.00881	0.5
111.04501	2.9
123.00872	0.8
125.02442	28.3
126.02782	0.7
127.03998	1.7
129.01978	0.6
133.02968	0.9
135.04500	0.7
137.02397	0.6
147.04466	0.5
155.03502	1.8
161.02460	1.3
169.01408	63.5
170.01729	1.6
171.02989	0.7
173.04527	7.0
174.03137	0.7
174.04773	0.4
176.04697	0.7
177.09160	2.2
187.07596	1.6
191.05600	100.0
192.05917	2.9
202.06346	1.1
203.07191	0.9
205.08664	2.1
231.03105	0.5
231.10175	1.3
233.08344	0.5
249.11325	2.8
275.09271	0.9
293.10278	0.7
301.00006	1.0
335.07486	0.7
343.06668	69.6
344.06940	4.7
353.08676	2.0
414.82227	0.5
467.15543	33.8
468.16034	3.2
505.09857	27.7
506.10367	3.0
788.44202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.7
70.02994	0.4
71.01381	7.6
72.99308	1.0
85.02946	5.0
86.02481	0.5
87.00870	1.0
89.02441	7.1
93.03464	1.5
95.01395	0.7
95.05020	5.7
95.25145	0.4
95.54784	0.3
98.19850	0.6
101.02435	4.8
106.04288	0.5
107.05036	0.4
111.04529	0.7
112.04024	0.8
113.02458	3.9
116.05045	1.4
119.03492	2.5
121.06591	7.0
126.96039	0.4
127.04012	0.5
132.57037	0.3
133.02986	0.8
134.03745	1.5
135.04518	22.5
136.04811	0.4
137.02385	0.4
139.07648	0.5
142.06625	6.5
143.03497	0.4
155.03413	0.4
156.08160	1.2
160.60486	0.4
161.02437	2.6
165.03789	0.8
169.07703	100.0
170.08058	4.2
171.02998	0.5
173.04559	1.7
179.03481	22.1
180.03807	0.7
183.09245	3.7
184.09685	0.6
185.10846	1.5
191.05597	43.6
192.05974	1.2
226.01677	0.6
234.05864	0.7
237.13931	0.9
239.11812	2.1
247.12251	0.4
262.12375	0.6
265.13419	4.0
278.05020	0.6
280.44696	0.4
291.15018	10.6
292.15359	0.9
296.05951	0.7
305.13089	0.5
309.15988	2.5
310.16632	0.4
332.68835	0.4
335.14014	9.4
336.14407	0.9
353.08737	44.3
354.08975	3.1
458.11197	6.1
459.11740	0.6
515.20264	64.2
516.13000	0.4
516.20581	7.3
576.47101	0.4
689.95154	0.4
770.08038	0.4
962.58307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.9
71.53764	0.6
78.95903	0.8
81.03485	0.6
85.02957	0.7
87.00882	0.6
89.02446	0.9
93.03453	6.6
95.01377	0.6
96.96075	0.4
97.02889	0.5
98.97192	0.4
99.92641	0.5
101.02463	0.7
105.03463	0.5
108.02180	1.0
109.02970	1.8
116.92850	1.9
121.02959	6.6
122.03740	15.1
123.00898	0.9
123.04479	1.3
124.01659	0.5
125.02449	1.0
133.02946	2.6
134.03749	1.3
135.04506	1.5
136.01659	4.6
137.02452	4.4
146.03741	1.7
147.04567	0.7
149.02432	23.3
149.06108	1.3
150.03220	100.0
151.00401	2.4
151.03993	8.3
152.04713	0.7
152.99579	0.4
161.02422	1.5
161.06099	0.4
162.03218	1.5
163.04025	0.8
164.04782	5.4
165.05562	95.5
166.02707	6.7
166.05887	3.4
167.03467	0.9
173.04538	1.1
175.04002	0.7
177.01988	0.9
177.05560	1.9
177.07568	0.4
179.03485	1.2
179.05658	0.7
179.07083	3.7
180.04277	7.7
181.05048	8.2
187.03955	0.6
190.02789	0.5
190.79372	0.4
191.03876	0.8
191.05597	5.0
192.05948	0.5
193.04994	0.8
195.06612	55.2
196.06990	2.4
201.23962	0.5
205.05031	2.5
207.06659	0.6
219.06601	1.1
220.07338	0.7
301.00046	0.8
307.63428	0.4
315.08640	0.6
329.10223	0.6
372.11905	0.6
387.10156	0.7
387.14740	2.5
402.13193	1.2
403.13782	0.5
417.15512	7.4
449.14499	1.2
505.14438	0.5
535.18341	0.7
550.18335	0.5
563.20386	0.6
565.20734	14.9
565.29529	0.8
566.20984	0.9
583.22437	0.6
595.21643	2.5
613.22894	9.1
614.23041	0.7
634.27789	0.5
646.16656	0.5
667.23914	1.5
713.25964	2.0
743.27136	1.6
761.28149	9.0
762.27765	2.4
773.27869	1.1
791.29340	3.1
792.28973	0.7
809.30237	16.3
810.30579	2.3
971.36945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.4
70.23563	1.0
71.01382	1.2
77.53574	0.4
78.95943	0.5
85.02953	0.9
87.00880	1.2
87.13500	0.4
89.02480	0.6
90.30573	0.4
93.03459	8.1
95.01383	0.8
95.05058	0.5
96.96969	0.4
99.92590	0.6
101.02428	0.5
107.05070	0.6
108.02216	0.5
109.02965	1.2
111.04517	0.6
116.92860	1.9
119.05083	0.4
121.02955	6.6
122.03740	16.2
123.00869	1.0
123.04507	1.7
124.01624	0.5
125.02424	0.8
132.02147	0.6
133.02992	2.0
134.03714	1.8
135.04529	1.2
136.01662	4.1
137.02448	4.3
145.02928	0.6
146.03728	1.1
149.02435	22.0
149.06081	1.5
150.03221	100.0
151.00357	2.4
151.04001	6.8
152.01163	0.4
152.04727	0.4
153.01926	0.6
153.05678	0.5
161.02415	1.1
161.06104	0.7
162.03250	1.5
163.04063	0.4
164.04778	5.4
165.05560	84.9
166.02715	6.5
166.05855	2.6
167.03383	0.9
173.04536	1.8
175.03967	0.5
176.04642	0.4
177.05533	1.7
178.02672	0.5
179.03444	1.3
179.07109	4.2
180.04271	6.5
181.05070	7.9
184.03798	0.7
187.03929	0.7
191.03738	0.6
191.05609	6.4
193.04919	0.6
195.06612	51.9
196.06921	1.7
205.05055	1.1
207.06488	0.6
219.06657	1.2
220.07390	1.5
225.07724	0.5
229.01363	0.5
250.91833	0.4
256.62192	0.4
300.99915	0.7
315.08643	0.5
329.10400	0.8
363.42450	0.5
372.12091	0.6
387.10178	0.7
387.14981	1.9
402.13101	0.7
403.13849	0.5
416.14313	0.6
417.15515	6.7
418.15649	0.6
421.15079	0.5
449.14346	1.6
467.15350	1.2
479.15756	0.4
535.15826	0.7
550.18262	0.8
563.19849	0.5
565.20746	12.9
566.20538	1.6
595.21936	3.0
613.22900	10.4
614.23077	1.2
667.23755	1.1
713.26196	2.4
725.25604	0.5
743.26923	1.9
761.28052	7.6
762.28149	1.2
773.27881	0.8
791.28729	2.8
792.29907	0.8
809.30243	16.0
810.30420	3.0
889.62140	0.5
971.38013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20045	2.9
69.20473	1.8
71.01389	1.1
78.12775	0.4
79.21011	0.4
82.41500	0.4
85.02970	0.9
87.00876	0.7
89.02431	1.0
93.03452	8.1
95.01389	1.1
95.05028	0.7
105.03450	0.8
107.05046	0.6
108.02182	0.9
109.02344	0.4
109.02960	3.3
111.04623	0.5
119.05032	0.6
121.02961	7.7
122.03741	17.0
123.00835	0.7
123.04603	1.0
124.01638	1.1
125.02457	0.8
132.02132	0.8
133.02992	2.3
134.03751	3.9
135.04520	1.9
136.01666	6.4
137.02449	8.0
138.03273	0.5
139.03987	0.6
145.02934	1.1
146.03752	2.2
147.04550	1.3
149.02434	34.2
149.06035	4.5
150.03220	100.0
151.00389	2.5
151.04018	15.8
152.01096	0.8
152.04709	1.3
153.01904	1.0
153.05569	1.2
155.23779	0.6
160.01544	0.5
161.02455	1.8
161.06050	1.6
162.03227	1.8
163.04091	0.4
164.04773	6.2
165.01863	1.4
165.05560	84.9
166.02704	7.5
166.05846	2.5
167.03488	1.3
169.01375	1.0
173.04526	1.1
175.03952	0.9
176.01047	0.5
177.05527	3.4
178.02734	1.1
179.03609	2.5
179.05653	0.5
179.07108	6.7
180.04294	6.2
181.05046	11.0
184.03749	1.0
187.03960	0.9
190.02669	0.5
190.06421	0.5
191.03851	0.8
191.05554	4.0
192.05891	0.6
193.05014	1.4
194.66374	0.5
195.06612	36.0
196.07010	1.1
203.07027	0.5
205.05026	3.9
206.05888	0.7
207.06697	0.8
219.06572	1.7
220.07298	2.9
221.07974	0.5
225.07666	0.6
250.05428	0.4
281.06592	0.7
297.07590	0.6
315.08530	1.2
329.10135	1.0
341.09366	0.8
356.61798	0.5
357.09598	0.7
371.11081	0.9
373.13092	0.8
387.10168	0.6
387.14853	2.6
402.13300	0.9
403.13916	0.9
403.85358	0.4
416.14728	1.0
417.15509	8.2
418.15948	0.6
449.14331	1.5
467.15540	1.0
535.15723	1.0
536.06024	0.5
550.18359	1.3
551.18610	0.6
563.18835	0.5
564.20209	2.3
565.20709	20.4
566.20898	2.3
595.21887	3.6
612.21222	0.7
613.22778	10.9
614.23218	1.6
619.21869	1.5
667.23438	1.9
713.14215	0.8
713.25983	12.1
714.26093	2.1
725.25745	0.6
743.27057	7.8
744.27380	1.4
761.28088	15.4
762.28467	3.4
773.27820	1.8
791.29388	4.6
792.30139	1.2
809.30194	16.9
810.30536	3.8
868.62836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.5
70.04314	1.1
70.58586	0.2
71.01375	3.2
72.99287	0.3
73.02946	0.4
81.03451	2.3
83.05014	1.7
85.02956	1.2
87.00079	0.3
87.00873	16.2
93.03455	89.4
93.52837	0.2
94.03789	1.3
97.02968	0.2
97.06577	0.3
99.00895	1.6
99.04522	1.6
105.03439	0.8
108.02212	0.3
109.02942	1.0
111.04514	11.1
113.02431	1.2
115.04015	0.8
117.03420	0.3
123.04519	0.4
125.02389	0.3
127.03996	0.3
127.29643	0.2
129.01918	1.4
132.02187	0.3
133.02942	2.6
134.03741	5.3
135.04530	4.6
137.02441	0.8
143.03491	0.7
151.03947	0.5
155.03487	2.6
160.01640	1.2
161.02457	0.5
162.03195	1.5
173.04536	36.3
174.04845	0.7
179.03523	0.9
191.05612	9.1
192.06049	0.3
231.10226	3.8
257.08282	0.5
275.09235	6.0
299.32248	0.3
308.08972	0.4
351.07169	0.8
352.07993	1.3
358.62396	0.3
449.14496	100.0
450.14847	8.0
450.21005	0.5
765.88513	0.3
805.10571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	18.9
71.53308	7.3
74.25353	6.5
83.04990	6.9
85.02930	13.0
89.02422	14.7
90.77210	5.7
92.34000	6.7
96.96010	15.5
101.02460	8.7
113.02468	6.7
146.15784	5.5
160.72083	5.9
167.78484	6.0
171.10210	6.2
178.67574	5.9
191.05547	32.5
196.96902	6.5
207.10220	6.6
209.11789	68.9
227.12865	19.4
246.00948	6.7
293.21231	100.0
294.21500	9.5
308.08704	8.3
379.12381	8.4
397.13495	58.2
415.14468	13.3
465.68802	7.1
525.55896	7.8
596.77179	7.4
607.25708	13.1
883.46985	9.2
969.48584	54.5
970.49072	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	971.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75048	0.3
69.23119	2.8
71.01379	2.4
72.73096	0.3
72.99332	0.4
75.00832	0.4
78.53516	0.3
83.01379	2.6
85.02950	1.7
87.00866	0.4
89.02401	0.4
93.03455	1.3
95.01382	0.4
95.94672	0.3
98.20647	0.8
99.00869	0.4
103.00391	0.5
107.01382	7.6
109.02946	3.9
112.43343	0.4
113.02448	1.3
119.01367	0.8
119.48550	0.3
121.02952	6.5
125.02430	0.3
130.47894	0.3
130.94969	0.3
133.02904	0.4
135.00839	0.7
137.02412	0.5
139.04028	0.7
141.65245	0.3
141.66479	0.3
143.05043	0.4
147.04524	0.3
149.02403	1.1
151.00360	30.6
152.00697	0.9
159.04469	0.9
161.02478	0.5
163.00374	4.6
163.04074	0.4
169.01385	1.3
175.02440	1.0
175.03920	0.5
178.99846	14.2
180.00114	0.5
183.04468	1.1
185.06050	0.5
187.03984	1.0
188.77402	0.3
190.99756	0.3
191.05562	1.0
192.00526	0.4
193.01447	0.6
199.03952	0.6
201.05547	0.9
203.03352	0.6
205.04916	0.3
211.03935	1.6
227.03432	2.3
228.04138	0.3
229.05069	1.9
239.03481	0.9
243.02885	0.6
245.04564	2.7
255.02985	4.5
256.03561	0.6
257.04547	0.8
266.01941	0.4
271.02469	1.1
273.03979	2.9
283.02386	2.0
284.03070	0.3
298.37228	0.3
300.02798	0.6
301.03506	100.0
302.03876	5.6
317.02866	0.3
431.83054	0.3
477.06714	64.2
478.07114	6.7
571.19153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.9
69.59489	0.4
70.15660	1.7
71.01382	20.3
71.01781	1.0
72.99299	1.5
73.02932	3.8
75.00902	0.5
78.95913	0.5
81.03465	1.1
83.01372	2.0
83.05018	1.2
85.02941	5.6
87.00876	4.3
89.02441	17.5
93.07027	0.5
93.33366	0.5
95.01386	1.6
97.02943	3.3
97.06569	0.8
98.20599	0.5
99.00868	1.2
101.02441	14.8
105.01950	0.5
109.02943	0.5
109.06562	0.9
111.00838	0.5
111.08154	10.2
113.02451	9.9
119.03507	5.2
123.00828	0.5
125.02449	6.9
127.03951	0.5
127.07698	0.5
128.32286	0.5
129.01871	0.6
131.03487	0.7
137.02815	0.4
139.03987	0.5
143.03502	2.9
149.04558	0.7
151.11250	1.3
153.12839	1.3
161.04524	4.1
167.03506	0.9
167.10727	0.5
169.12350	5.1
171.10185	1.2
177.12880	0.5
179.05600	6.0
179.10655	0.5
181.12386	2.2
183.13881	0.7
193.12402	0.5
197.11823	52.9
198.12199	2.2
199.13376	3.2
209.15425	1.3
211.13380	7.9
217.07135	0.6
221.06680	2.3
221.11797	1.4
223.16922	0.6
225.14998	1.6
227.12891	1.4
229.92270	0.5
233.15399	0.5
235.08179	6.6
251.16522	1.1
253.09348	1.5
255.23300	2.0
259.20587	0.6
263.07672	0.9
263.20041	3.9
265.18091	0.9
273.18558	1.2
277.21704	51.8
278.22110	3.0
287.07733	1.8
291.19662	21.0
292.20004	1.5
305.08826	2.3
309.20697	100.0
310.20987	5.7
311.38773	0.5
323.09760	1.2
330.23621	0.8
333.20828	0.6
379.12326	4.0
397.13495	45.4
398.13754	2.8
415.14581	17.3
415.18829	0.3
416.14877	1.1
569.42853	0.6
675.35956	1.4
689.33643	1.9
707.35400	2.2
771.62500	0.5
875.50574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	0.5
70.65397	0.2
71.01378	7.5
72.99300	0.5
73.02946	0.9
77.94987	0.1
81.03458	0.2
82.95410	0.2
83.01374	0.6
85.02951	1.3
87.00867	1.7
89.02444	5.8
93.03438	0.2
93.90331	0.2
95.01387	0.5
97.02928	0.9
97.06535	0.2
99.00862	0.4
99.34042	0.2
101.02443	4.7
101.03105	0.2
109.02974	0.2
111.00857	0.2
111.04463	0.2
111.08131	0.4
113.02451	2.7
113.09724	0.3
119.03479	1.7
125.02438	2.2
131.03456	0.2
141.01961	0.2
143.03476	1.0
149.04610	0.2
150.84381	0.2
161.04550	1.3
167.10770	0.4
177.12903	0.2
177.16431	0.2
179.05611	1.7
179.10658	0.2
179.14398	0.6
181.12308	0.2
191.05728	0.3
195.13882	7.0
196.14430	0.7
205.12291	0.6
205.15964	0.4
211.13313	0.5
217.07106	0.2
221.06609	0.7
223.13353	4.4
223.16808	0.2
224.13795	0.4
225.14940	0.4
228.13649	0.6
231.21141	0.4
235.08261	1.9
249.22260	0.3
253.09245	0.5
256.13123	1.3
263.07629	0.3
265.21777	0.4
275.20132	4.7
276.20462	0.4
287.07675	0.5
293.21210	100.0
294.21533	5.9
305.08722	0.6
317.21286	0.2
323.09836	0.6
379.12415	0.7
397.13480	14.5
398.13931	0.6
415.14545	8.9
416.15021	0.5
569.42316	1.0
570.99677	0.2
594.09564	0.2
654.27887	0.3
673.34259	0.9
691.35345	2.2
730.96936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	0.3
69.03456	9.6
70.03777	0.2
71.01380	4.8
71.54047	0.3
72.99293	0.3
73.02943	0.5
81.03455	0.7
83.01385	0.3
85.02938	1.6
87.00876	0.5
89.02444	4.9
89.03961	0.3
91.05515	0.2
93.03448	1.4
95.01418	0.3
95.05043	1.4
99.04511	1.2
101.02436	3.4
105.03465	0.7
106.04210	0.3
107.05027	1.8
108.02179	0.4
109.02930	0.3
111.04589	0.2
113.02450	1.7
115.01893	0.2
117.03467	0.6
119.03527	1.8
119.05006	0.5
121.02956	0.9
121.06590	2.7
123.00920	0.3
123.04536	0.3
125.02436	0.7
125.06065	0.7
132.02171	1.7
133.02956	27.3
134.03769	4.9
135.04523	63.2
136.01651	0.4
136.04851	1.6
137.02446	1.1
139.07623	0.3
143.03522	0.5
148.31808	0.2
149.02480	0.4
150.03223	0.7
151.00386	0.7
151.04063	0.5
151.07652	3.7
160.01700	0.2
161.02437	100.0
161.13228	0.3
162.02776	3.2
163.04022	0.6
165.05536	0.3
166.02705	0.4
169.01424	0.5
169.08644	0.5
173.04546	0.6
179.03490	41.0
180.03801	1.4
181.05017	0.5
191.05592	6.6
195.06625	2.0
205.12250	0.4
217.10727	0.2
222.47478	0.2
233.08188	0.3
249.11238	0.8
255.02986	0.5
261.07651	0.6
271.02432	0.8
300.02625	1.5
301.00189	0.3
301.03464	1.0
331.11856	2.7
331.60699	0.3
337.09235	0.4
350.77643	0.2
353.08551	0.4
375.12946	8.8
376.13422	0.4
429.17700	0.5
447.09286	2.4
448.09546	0.5
449.14505	0.3
467.15558	1.8
493.17072	0.3
504.29263	0.2
516.12854	0.7
532.12329	0.2
537.16095	70.2
538.16431	7.4
788.63055	0.2
891.33643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6845
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.9
71.52173	1.1
71.52563	0.8
78.91891	1.5
78.95914	1.4
79.95756	1.8
80.96523	1.6
90.14905	0.6
94.98106	1.0
96.96016	4.3
103.70866	0.6
126.90473	1.3
173.97554	0.6
177.22647	0.6
199.65854	0.6
209.11876	1.3
209.94330	0.6
263.25473	0.6
277.21838	1.2
364.53271	0.6
471.34766	100.0
472.35098	10.5
634.86865	0.8
908.87231	0.7
931.72882	0.9
965.46112	3.4
965.68408	97.3
966.68921	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	9.2
69.92687	1.1
71.01381	4.5
72.99289	0.6
73.02947	0.4
81.03459	0.6
85.02943	1.5
87.00865	0.7
87.73428	0.3
89.02448	5.6
89.03978	0.5
91.77273	0.3
93.03452	0.9
95.01404	0.3
95.05034	1.3
97.78278	0.3
99.00896	0.4
99.04533	1.1
101.02435	2.9
105.03441	0.7
106.04222	0.4
107.05021	1.6
109.02880	0.4
113.02433	2.0
117.03442	0.4
119.03501	2.2
119.04941	0.3
121.02963	0.7
121.06570	2.6
123.00883	0.6
125.02385	0.5
125.06096	0.8
131.03488	0.3
132.02185	1.7
133.02959	27.6
134.03770	5.7
135.04520	66.7
136.01628	0.3
136.04854	1.9
137.02454	0.9
138.22020	0.3
139.07654	0.3
143.03468	0.7
149.04518	0.3
150.03242	0.5
151.00304	0.5
151.07654	3.8
161.02435	100.0
162.02766	2.8
163.04021	0.5
165.05536	0.7
166.02721	0.6
173.04539	0.8
177.01868	0.3
179.03491	41.0
180.03848	1.3
181.05080	0.7
187.03963	0.3
191.05614	6.6
192.05983	0.3
195.06607	2.0
205.12276	0.5
248.88417	0.3
249.11264	0.6
255.03076	0.7
261.07642	0.8
271.02502	0.7
283.22748	0.3
300.02859	1.6
300.99954	0.4
301.03479	1.2
311.58801	0.3
313.10495	0.3
331.11853	3.5
337.09351	0.4
342.90601	0.3
353.08694	0.5
375.12958	10.1
375.73254	0.3
376.13193	0.4
429.17560	0.5
447.09381	2.9
449.14313	0.5
467.15591	1.7
493.16498	0.4
516.12756	0.8
537.16101	73.6
538.16443	7.2
545.68597	0.3
645.91718	0.3
922.38141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6841
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	2.2
79.95753	1.3
80.96529	1.1
93.03464	0.6
96.96014	5.5
96.96975	1.0
110.10674	0.5
152.99577	0.6
154.95428	0.4
191.05499	1.0
209.11847	0.4
279.23245	1.4
280.23773	0.7
280.81598	0.4
317.16000	0.5
471.34763	84.4
472.35098	10.2
476.27740	0.7
477.28168	0.8
736.18701	0.5
965.68402	100.0
966.68665	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42786	0.4
78.91897	0.5
78.95930	0.7
79.95737	0.8
80.91676	0.5
80.96534	0.9
86.91470	0.4
87.19160	0.4
92.59444	0.4
96.96027	1.7
128.84540	0.4
138.82895	0.5
152.09396	0.4
174.21136	0.4
191.05566	0.6
209.11775	0.6
229.29515	0.6
257.42444	0.4
277.21741	0.6
393.31656	1.2
399.88202	0.4
423.32620	2.0
471.34760	100.0
472.35056	10.1
899.07874	0.4
965.68420	90.3
966.68774	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21410	95.3
69.21843	100.0
71.01377	54.3
73.23831	22.3
74.95708	19.0
78.95918	47.8
97.02978	19.6
101.02441	33.5
105.39309	19.2
109.06583	24.9
143.03468	23.8
191.05550	44.6
207.10252	62.4
209.11798	72.2
212.28880	24.0
277.21652	98.2
284.42398	23.1
397.13354	71.3
398.13675	39.2
732.05249	23.5
883.47333	31.6
885.30261	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	0.3
69.03452	0.2
69.21429	2.1
69.21842	0.6
71.01389	0.9
81.03457	0.2
83.05021	0.4
85.02946	5.9
87.00869	1.1
93.03457	3.6
106.04263	0.3
107.05035	0.9
109.02963	0.6
111.04510	1.7
117.03490	0.4
120.05022	0.2
127.04002	1.6
133.02942	1.5
134.03760	2.6
135.04521	41.0
136.04866	1.1
137.02397	0.3
155.03517	1.2
161.02425	3.8
162.02751	0.3
171.02997	0.5
172.05397	0.4
173.04529	3.2
179.03487	38.3
180.03859	1.1
187.07603	2.3
191.05603	97.7
192.05925	2.6
215.07121	0.5
227.03520	0.3
257.08231	2.1
330.69601	0.3
335.07672	0.5
353.08752	100.0
354.09085	6.1
449.14664	1.1
515.11920	7.0
516.12598	0.8
549.78326	0.3
569.57617	0.3
770.17480	0.3
923.35333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.4
70.66967	1.4
71.01382	16.4
72.99300	1.7
73.02918	3.2
73.33305	0.5
73.42654	0.5
75.00864	0.7
78.95894	0.9
81.03464	0.9
83.01394	2.0
83.05025	1.0
85.02954	3.8
87.00874	4.2
89.02441	14.8
95.01386	1.1
95.05018	1.0
96.96030	0.7
97.02959	2.3
99.00874	1.3
101.02431	12.5
109.02932	0.8
111.08158	7.8
113.02457	6.3
113.09711	0.7
119.03513	3.9
123.35513	0.5
125.02434	3.9
127.88115	0.6
131.03471	0.7
143.03461	1.7
147.95055	0.5
149.09772	0.6
157.35307	0.6
161.04536	2.4
167.10797	2.3
168.61229	0.6
177.12831	2.2
179.05598	4.4
179.10793	1.4
179.14378	0.8
191.05600	1.7
195.13911	11.9
196.14209	0.7
205.15842	0.8
221.06639	1.8
223.13351	4.5
225.15112	0.7
228.13559	0.7
235.08278	3.5
247.20622	2.1
253.09331	1.0
256.13126	2.0
273.18549	0.9
275.20129	4.7
287.07648	0.6
291.19650	89.5
292.20004	6.6
293.21216	100.0
294.21500	7.1
305.08670	1.3
313.73270	0.6
323.09631	1.0
379.12399	2.5
397.13480	32.6
398.13831	1.9
415.14584	13.3
416.14987	1.4
671.32892	4.3
673.34229	1.0
689.33868	8.6
690.34460	1.1
691.35449	2.1
896.48450	1.0
965.53247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25877	100.0
71.01404	16.7
93.03438	11.2
95.63900	9.8
96.23573	9.8
191.05551	60.9
209.11893	51.6
232.71011	10.8
234.57976	12.2
358.38364	13.9
381.98413	12.3
487.34033	26.5
488.34415	13.9
566.64996	12.0
964.48450	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	964.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44263	62.1
71.01382	39.1
78.71521	28.3
80.96500	31.2
87.41339	26.5
101.02447	41.6
158.01701	29.6
191.05602	100.0
209.11786	48.2
286.05969	28.1
293.21130	35.8
309.20834	31.8
314.46716	28.4
397.13434	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	23.6
78.91871	77.9
78.95931	19.7
79.95725	37.3
80.96518	27.4
89.02448	16.9
96.96001	44.1
109.06586	19.1
121.02885	20.0
130.27448	14.5
136.81924	14.7
145.02989	24.7
151.00276	20.4
163.11234	14.3
171.10178	18.8
178.99850	19.7
184.04916	14.5
191.05635	24.4
191.84669	16.8
207.10350	30.2
209.11804	52.2
225.11377	20.8
226.97267	15.2
229.29668	14.5
277.21738	48.2
310.81778	13.4
311.16888	14.2
397.13406	35.5
617.38330	39.4
646.30029	16.0
670.69489	15.6
727.03052	14.3
780.17102	13.4
965.44537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	35.3
88.98798	85.8
96.95969	30.6
98.19849	50.1
101.02367	24.5
105.28085	28.5
125.02441	32.9
157.97044	27.3
191.05580	100.0
207.10197	60.0
225.11169	28.4
229.44453	40.4
293.21381	39.9
398.13803	45.2
547.12494	27.7
636.58740	31.9
872.11084	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91898	0.4
67.01870	0.5
71.01370	0.7
71.53793	0.6
71.91505	0.4
81.93683	0.4
85.02937	5.2
87.00877	1.2
93.03448	3.9
94.17803	0.4
107.05019	0.8
109.02969	0.4
111.04527	2.4
115.91991	0.4
117.03478	0.6
122.54906	0.5
127.03985	1.3
129.05713	0.5
133.02957	1.2
134.03740	3.7
135.04524	50.4
136.04820	1.7
151.00348	0.5
155.03470	1.6
161.02423	5.1
173.04530	8.3
179.03491	43.0
180.03862	1.5
187.68430	0.4
187.78166	0.4
191.05602	89.5
192.05908	2.1
201.26849	0.4
216.04221	0.4
227.03406	0.5
255.03021	0.9
271.02399	2.7
300.02707	4.7
301.03647	2.8
315.89392	0.5
332.37296	0.5
335.07672	1.0
336.07843	0.5
343.84787	0.4
353.08749	100.0
354.09097	6.3
431.16254	0.5
447.09296	5.5
448.10049	0.5
515.11914	10.5
575.56818	0.4
621.38837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68635	0.3
67.01855	0.4
67.12077	0.4
67.23253	0.3
68.99841	0.3
69.03443	2.5
71.01383	16.9
72.99327	1.8
73.02946	2.2
75.00900	0.5
81.03431	1.0
83.01387	2.2
83.05032	0.7
85.02457	0.6
85.02947	9.7
87.00874	3.7
89.02443	16.0
95.01372	1.3
95.04967	0.4
95.33174	0.3
97.02940	4.0
97.06581	1.8
99.00840	1.0
101.01806	0.7
101.02444	12.6
107.50517	0.3
109.02903	0.4
109.06562	0.4
111.04496	0.6
113.02444	6.7
119.03483	4.2
121.02866	0.3
123.17102	0.3
125.02441	5.1
125.09737	0.9
127.11250	1.3
131.03458	0.6
133.05092	0.3
137.09727	1.8
139.03998	0.4
143.03545	2.2
149.04503	0.5
161.04521	2.8
163.11287	0.5
165.12863	1.0
167.14381	0.4
171.10262	21.2
175.17896	0.4
177.12883	0.6
179.05632	2.5
179.17503	0.3
183.13951	1.7
185.11847	0.4
193.12366	0.5
197.11833	0.4
201.11288	1.0
209.11777	1.1
211.13382	10.3
212.13850	0.3
221.06638	1.1
221.11780	1.6
229.14444	6.6
235.08206	4.9
239.12871	1.1
253.09178	1.3
255.23270	36.6
256.23599	1.4
262.12436	0.3
263.07706	0.5
269.17731	0.3
277.21710	0.4
287.07767	0.9
291.19669	3.3
305.08731	1.2
309.20700	8.2
310.20966	0.4
323.09827	1.0
327.21753	100.0
328.22104	5.5
351.21530	0.4
379.12421	0.6
397.13498	50.8
398.13971	2.2
415.14554	15.7
416.14966	0.9
425.59097	0.4
565.44659	1.7
653.37488	5.2
654.37640	0.6
707.34930	6.3
725.36121	2.7
939.05133	0.5
963.60284	1.6
966.33667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	60.8
74.87823	38.8
80.09476	45.1
88.98779	74.5
104.37778	41.2
111.48256	44.4
117.09242	40.4
191.05559	100.0
221.64392	45.8
235.08151	42.8
236.90210	42.5
293.21152	79.5
294.21484	88.0
321.90897	38.0
383.25421	46.4
397.13159	52.4
448.40683	42.8
473.44656	44.9
490.19690	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	74.3
71.53504	58.9
75.00874	52.3
78.95902	55.4
88.98797	33.7
89.02457	43.4
96.95998	54.1
96.96944	48.6
114.44891	23.3
171.10274	28.7
191.05576	59.4
209.11765	46.4
218.22755	26.4
225.11264	32.4
227.12971	36.1
237.89140	24.1
255.23201	37.1
277.21689	38.8
311.16815	100.0
312.17126	39.2
397.13321	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	25.7
71.53494	7.8
78.95886	9.1
83.05007	7.6
85.02930	11.7
87.00880	8.1
89.02449	15.9
93.84231	5.4
101.02459	14.7
113.02413	13.3
121.02954	6.1
125.02432	12.6
163.11281	8.9
169.01407	7.5
171.24049	5.1
191.05624	27.6
195.13857	9.5
209.11818	94.4
223.13321	12.8
227.12950	12.9
293.21228	100.0
309.20615	6.9
339.07507	5.6
341.23215	8.2
397.13556	48.7
415.14392	12.0
487.34348	9.8
501.32397	7.2
581.03998	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	961.6773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27766	0.2
69.28164	1.2
72.81250	0.1
78.95893	0.2
84.04257	0.1
94.48600	0.1
95.70734	0.1
120.31248	0.1
131.03497	0.1
133.12831	0.1
133.56718	0.1
142.49199	0.1
163.08258	0.1
182.06598	0.1
191.05630	0.6
209.11801	0.4
210.57422	0.1
294.20084	0.1
349.96326	0.1
379.29959	0.3
391.29877	0.2
393.31766	0.2
409.31134	0.7
421.31241	0.3
473.32864	0.3
487.34259	100.0
488.34592	11.8
866.54901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
77.66873	21.6
78.66742	21.3
78.95936	29.7
86.02785	23.3
96.12609	23.1
113.02490	24.3
131.93271	23.7
153.09230	28.4
164.25473	24.7
209.11826	100.0
210.12103	36.8
289.18137	42.8
290.62888	24.8
305.17456	70.8
307.19193	72.6
407.08017	27.1
450.60980	23.4
556.31909	28.6
958.52588	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	0.4
70.68298	0.7
70.68610	0.3
71.01367	0.7
72.07866	0.3
72.35557	0.3
72.99309	2.6
78.95901	100.0
80.02662	0.3
83.05006	0.7
85.02944	3.4
87.00869	1.3
88.98803	8.2
89.99107	0.4
93.03455	2.3
96.96960	4.8
99.04557	0.3
109.02908	0.7
111.04523	0.8
120.02033	0.3
127.04006	0.9
127.18776	0.3
133.02921	0.3
150.03250	0.4
152.99583	7.1
159.04453	0.5
163.11339	0.5
169.01357	0.4
172.05200	0.5
173.04532	1.2
173.05858	0.3
191.05600	12.5
192.06007	0.4
196.05388	0.3
197.06068	0.5
199.03954	1.7
200.04782	0.9
201.05539	0.6
209.11833	6.4
211.03952	0.3
213.05397	0.6
227.03481	4.5
227.12820	0.5
228.04190	1.8
271.02252	1.3
283.13434	5.3
301.14099	0.7
309.14935	1.9
311.12802	1.8
325.14551	0.6
327.12305	0.5
327.15909	1.4
329.13885	0.7
335.13083	0.7
353.13876	4.0
371.14917	3.6
449.14621	0.8
458.39349	0.3
507.13821	0.4
600.18860	0.4
673.31989	0.8
735.27771	3.4
736.27600	0.4
749.29065	0.6
754.41742	0.3
767.30396	9.6
768.30621	1.0
796.75439	0.4
829.36438	1.4
861.38812	1.0
893.63043	0.4
927.34131	7.8
928.33954	1.3
959.36731	21.0
960.37036	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	959.6976
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63617	0.1
78.14149	0.1
88.98820	0.3
91.47234	0.1
110.71169	0.1
116.92854	0.2
157.99063	0.1
191.05650	0.2
364.59961	0.1
439.32565	0.1
471.34763	100.0
472.35110	12.2
473.35080	0.2
485.32904	0.6
486.33130	1.0
487.33444	1.0
606.78864	0.1
741.08893	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	954.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03156	17.6
69.60061	17.3
71.42621	36.2
74.22958	15.5
78.95915	100.0
104.18204	17.9
116.92796	34.2
117.77167	17.3
155.38344	15.1
182.98309	17.7
191.05690	20.0
203.93094	18.1
250.70081	18.9
255.23338	25.3
589.20642	19.1
955.43793	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	12.8
71.52847	5.1
72.99271	4.2
77.46633	3.9
78.95901	58.9
85.02951	4.0
87.00851	4.6
88.08176	4.4
89.02435	14.2
93.03472	5.2
97.02985	4.3
101.02415	12.2
111.58401	3.4
113.02463	8.4
116.92864	22.1
119.03507	4.2
137.75502	3.3
151.03302	4.0
152.99493	5.0
176.04865	4.1
191.05554	19.4
209.11803	100.0
210.12053	7.4
227.12889	17.7
255.23293	61.6
283.13354	6.8
301.14429	8.2
338.95483	3.8
353.13998	3.8
355.10638	4.0
379.12405	13.3
397.13480	52.1
398.13538	4.6
403.35907	4.4
415.14581	12.9
472.94260	4.3
763.38757	9.7
955.45306	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	958.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
74.47240	47.4
75.00852	88.0
78.95918	53.3
88.98825	64.6
90.40989	41.1
90.95439	40.1
91.40887	55.9
98.20695	100.0
142.94438	55.6
187.64484	43.5
209.11855	58.8
220.19911	62.1
562.51489	49.7
587.21570	47.9
829.21552	52.3
891.17633	51.7
917.03253	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10066	81.3
70.10460	100.0
83.26482	51.1
98.20563	69.2
108.16700	42.9
120.83774	53.3
133.49466	40.0
133.82532	43.5
141.67754	37.8
142.34041	43.3
151.23677	42.8
153.50516	42.4
186.13983	43.8
207.09958	48.5
215.30046	43.1
291.57059	43.9
293.20981	93.1
294.21323	58.6
304.32126	55.4
905.40350	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55540	2.5
71.01380	30.4
71.40303	2.5
71.78980	2.6
72.37466	2.4
72.66517	2.3
73.02955	3.9
78.95896	15.7
79.95721	3.5
81.61166	2.8
82.44370	2.6
83.05018	4.5
85.02962	5.5
87.00873	5.0
87.14972	2.4
89.02427	31.5
96.96009	56.4
96.96947	23.5
97.02937	6.0
101.02460	25.3
106.96740	2.6
109.06590	8.8
111.08127	4.2
113.02450	10.3
119.03491	10.2
125.02447	6.1
143.03452	7.3
161.04559	6.3
163.11273	6.1
165.12807	4.4
171.10211	5.8
179.05556	14.1
191.05589	6.1
195.13913	6.6
207.10246	28.1
209.11815	100.0
210.12163	5.2
221.06717	4.1
223.13443	5.5
225.11336	17.6
227.12839	26.7
235.08182	7.4
275.20120	5.3
291.19635	86.2
292.19974	4.8
293.21176	58.9
294.21555	3.9
356.82303	2.4
379.12344	5.0
397.13458	57.5
415.14581	24.0
487.34174	6.4
623.25287	5.3
715.45660	3.3
867.37677	13.5
891.76825	3.5
899.45520	15.5
900.47314	6.8
953.45129	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	951.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.9
69.15688	3.2
71.01377	14.5
72.99295	1.0
73.02940	2.2
79.10736	0.3
81.03452	0.5
83.01385	1.2
83.05031	0.3
83.25782	0.3
84.88024	0.4
85.02957	3.5
87.00872	4.0
89.02437	13.2
93.45458	0.3
95.01362	1.1
97.02919	2.0
98.20763	0.6
99.00879	0.7
101.02434	10.2
111.04539	0.5
111.08124	0.4
113.02446	6.7
119.03496	4.0
125.02448	4.7
126.65070	0.3
127.23257	0.3
131.03493	0.5
139.04025	0.5
141.01938	0.3
143.03496	2.2
149.04518	0.4
161.04558	3.0
179.05566	3.4
179.14368	0.8
180.05945	0.4
183.10379	0.4
183.13773	0.4
188.03821	0.3
195.13870	7.1
196.14313	0.4
205.12260	0.4
205.15895	0.7
206.81639	0.4
211.13387	1.0
217.07123	0.6
221.06618	1.5
223.13380	4.9
224.13849	0.6
228.13571	0.9
235.08205	4.4
235.16821	0.7
253.09344	0.7
256.13171	1.3
259.08075	0.3
263.07632	0.3
275.20114	6.1
276.20425	0.4
277.21698	40.0
278.22058	3.6
287.07712	1.3
291.19601	0.6
292.19998	0.6
293.21198	100.0
294.21490	6.8
305.08731	1.4
317.21231	0.6
323.09808	0.6
379.12518	3.0
397.13467	29.9
398.13892	2.0
415.14526	11.6
416.15118	0.4
673.33472	0.7
675.36682	0.4
691.35205	1.4
708.86200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.8
68.46682	1.5
69.03453	3.4
69.22032	1.4
69.36110	6.1
69.36535	5.9
71.01382	2.7
71.33533	1.5
85.02940	2.6
92.88139	1.3
93.03452	4.3
95.01387	9.8
97.02975	2.6
105.03473	8.4
105.23048	1.4
107.01389	12.4
107.05025	1.9
109.02918	2.5
111.00867	3.4
117.03465	5.9
119.05035	7.9
123.00877	21.9
123.04519	2.0
125.02444	59.9
126.02829	1.5
133.02957	10.3
135.04504	12.6
137.02452	6.4
139.00372	6.2
140.01128	3.6
145.02951	16.0
147.00868	2.4
147.04524	11.9
149.02446	3.6
151.00320	2.6
159.04552	3.0
160.01691	4.1
161.02428	31.5
162.03192	9.4
163.00374	10.6
163.04004	35.7
164.01173	2.2
165.01892	5.1
166.99854	6.6
168.00618	4.0
169.01421	61.8
172.01715	1.6
173.02408	9.1
174.03116	2.0
175.03973	4.8
176.01097	3.1
177.01926	7.4
178.99828	1.7
179.03578	2.2
187.00327	5.1
188.01125	4.6
189.00308	2.6
189.01924	40.8
190.02678	12.1
190.31831	1.5
190.99854	2.8
191.01743	3.5
191.03482	61.6
191.05569	28.7
192.00655	3.3
192.03802	2.9
192.05788	2.3
193.01378	2.7
201.01906	6.3
203.03589	4.0
205.01361	4.9
205.05029	2.2
207.02956	3.5
209.00893	1.7
214.99815	4.8
215.03386	3.7
216.00555	6.5
217.01421	24.4
218.01974	2.6
218.99503	1.6
219.02945	12.8
226.02786	1.6
229.01440	3.1
230.99297	2.1
231.02905	2.1
232.00128	4.9
233.00880	9.4
233.04413	2.5
235.02472	22.1
237.05765	1.7
241.05121	1.9
241.56938	1.5
242.99295	1.5
244.00064	1.9
245.00824	14.0
246.29269	1.8
257.00848	2.1
259.99551	4.3
261.00372	41.1
262.00824	2.9
263.01801	2.3
269.04498	1.8
270.98822	2.2
273.00656	1.7
275.01901	2.6
288.99908	8.6
300.99802	6.1
302.00256	2.2
337.09363	3.7
366.48724	1.6
387.03625	3.2
389.05173	2.2
405.04739	6.1
412.00082	1.8
534.91376	1.9
540.05237	2.3
541.05896	8.6
557.05975	10.3
567.05115	1.8
709.06744	33.8
710.07275	5.5
727.07928	12.8
728.07129	2.1
737.06305	5.3
879.08801	100.0
880.09009	17.6
907.08136	14.4
908.09149	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	948.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
92.92714	17.6
112.98610	18.2
144.70583	19.4
166.80666	15.8
209.11897	26.1
229.41769	23.5
247.16962	17.7
275.45798	19.1
397.13675	40.6
398.51617	20.4
471.34891	22.1
472.35236	81.6
473.35532	100.0
474.35818	67.8
475.36096	33.5
494.50577	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	948.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
77.27045	29.9
78.91870	34.9
103.72375	27.4
178.45888	29.0
209.11922	46.7
228.58121	33.5
283.03409	33.3
349.05246	27.3
378.91846	29.9
397.13202	34.6
471.34863	39.4
472.34973	86.6
473.35269	100.0
474.35535	90.7
475.35587	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69210	23.1
70.28307	100.0
71.01386	44.0
73.64486	22.4
101.02386	27.5
109.06576	41.1
116.70638	26.9
116.92849	35.5
122.62547	21.9
163.11237	34.2
181.88235	26.8
207.10249	85.7
208.10519	46.2
209.11812	34.3
210.12160	31.4
225.11124	34.7
226.11635	24.1
277.21643	53.8
278.21866	54.5
397.13379	36.3
769.97058	32.2
886.47467	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	40.3
75.53979	28.7
87.00992	26.8
98.20748	59.6
109.06568	37.3
110.51054	26.0
171.54231	28.7
207.10237	100.0
208.10573	39.5
229.37512	51.1
264.41315	29.9
277.21634	55.3
278.22110	64.3
315.19125	27.6
379.30527	33.2
397.13565	36.8
399.13876	45.7
464.36267	31.6
522.74060	31.6
774.93054	31.7
886.47809	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.7
67.18697	0.4
71.01373	0.8
83.05036	0.5
85.02943	7.8
87.00883	1.5
93.03461	4.6
93.82729	0.4
98.19951	1.2
107.01370	1.3
108.02205	0.8
109.02959	1.6
111.04547	1.2
121.02956	0.5
127.04033	1.7
139.31914	0.4
148.01636	0.5
151.00362	5.6
163.00389	0.9
171.02977	0.5
173.04535	1.4
176.03487	0.4
178.99818	2.9
187.04036	1.4
187.07660	1.5
191.05603	100.0
192.05942	2.4
202.06355	2.5
203.07124	0.5
211.04105	0.4
213.09239	1.0
215.07190	1.1
226.02708	0.9
227.03522	0.9
229.33685	0.6
231.10313	0.8
243.03006	3.8
243.83545	0.4
245.11868	0.7
247.09673	0.9
254.02277	1.0
255.02954	9.9
256.03372	0.5
257.08209	0.8
271.02457	21.8
272.02829	2.1
273.04437	0.5
275.09335	1.2
283.02457	0.5
289.10825	2.0
300.02728	44.2
301.03439	21.1
302.03775	1.1
307.11746	1.5
449.14523	13.1
450.14691	1.1
463.08786	69.5
464.09161	5.7
481.17178	11.6
482.17593	0.9
534.50989	0.4
571.09149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	18.0
71.52396	5.3
83.05017	9.5
85.02944	6.3
87.00896	6.8
88.98832	6.6
89.02431	9.5
97.02965	4.4
100.66058	3.9
100.84217	4.4
101.02439	12.0
103.41678	3.9
113.02435	7.0
116.92840	9.8
125.02427	5.1
161.04500	5.6
191.05548	13.3
207.10359	5.9
209.11819	100.0
210.12181	23.5
225.11240	7.2
227.12901	9.2
277.21768	45.6
278.22003	14.6
379.12253	10.6
397.13348	33.5
398.13910	11.1
415.14691	7.2
482.59671	4.8
606.33264	4.6
716.66028	5.0
867.81354	5.3
886.47827	8.9
948.00073	4.2
969.37000	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
66.55666	1.7
69.03447	2.0
69.88898	8.4
71.01383	21.5
72.99280	1.7
73.02950	5.3
73.23019	1.6
81.03445	3.7
83.81464	1.8
85.02933	7.5
87.00857	7.4
88.98776	3.9
89.02444	13.4
89.45721	1.6
95.01382	2.8
96.96008	1.9
97.02946	13.7
97.06580	3.4
98.20602	1.8
99.00877	18.5
101.02444	11.6
109.06569	9.1
113.02454	8.3
116.92831	3.1
119.03510	3.5
123.08122	2.1
125.02434	9.4
125.09722	4.5
128.58220	2.0
142.02762	2.8
143.03424	3.2
161.04533	3.3
163.11279	13.5
173.72751	1.9
179.05618	2.9
180.95494	1.7
181.12350	22.6
183.01178	17.7
189.09244	2.4
191.05528	7.4
199.13329	2.5
207.10243	76.8
208.10605	3.4
209.11745	2.4
221.06636	3.2
225.11305	97.0
226.11705	3.4
235.08247	5.1
243.12357	30.5
277.21695	68.7
278.22070	2.5
311.16843	77.9
312.17004	3.8
317.16025	3.6
318.16724	2.1
323.22131	1.9
397.13470	16.8
415.14526	5.4
605.24536	28.7
606.25055	5.1
623.25562	29.7
865.46527	2.2
883.46875	100.0
884.47577	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	941.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93819	0.3
67.01885	0.4
69.29591	2.8
71.01382	2.3
75.00879	0.5
83.01381	2.4
85.02950	1.6
87.00861	0.3
91.01837	0.4
93.03441	1.0
95.01376	0.7
98.20693	0.6
99.00880	0.4
102.99238	0.3
103.00366	0.5
107.01391	8.0
109.02943	3.6
113.02444	1.8
119.01392	0.6
121.02953	6.2
123.00901	0.5
125.02447	2.5
125.31426	0.3
135.00853	0.5
139.04010	0.5
140.63103	0.3
147.19104	0.3
148.01668	0.4
149.02438	1.2
151.00365	30.9
152.00722	0.7
159.04523	0.5
161.02382	0.4
163.00374	4.0
164.01097	0.5
165.01906	0.4
167.04953	0.5
169.01425	3.5
173.06155	0.6
175.02473	0.6
175.03949	0.6
178.99857	14.5
180.00104	0.5
183.04514	0.6
185.02455	0.5
187.03989	0.9
190.99721	0.3
191.05643	0.3
192.00635	0.6
193.01477	0.7
201.05530	1.1
203.03383	0.7
205.04987	0.5
211.04053	1.7
214.02686	0.3
227.03419	1.7
228.04213	0.4
229.04985	1.3
239.03427	0.6
240.00108	0.3
243.03027	0.7
245.04541	3.1
255.02972	4.7
256.03668	0.4
257.04645	0.5
266.02106	0.6
271.02460	1.2
273.04086	2.3
283.02451	2.4
284.03058	0.5
300.02756	0.9
301.03510	100.0
302.03793	5.7
316.02515	0.4
356.17258	0.3
366.72031	0.3
381.25583	0.3
463.08783	0.6
464.08694	0.4
477.06711	70.0
478.06946	6.8
770.11133	0.4
771.09442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1105
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01882	2.2
69.03449	2.2
69.46347	1.0
69.46526	3.9
69.46950	3.6
71.01376	1.4
79.01878	2.4
89.03981	0.9
95.01380	12.8
97.02940	3.8
107.01402	9.4
109.02963	1.3
111.00864	4.0
113.02475	1.4
123.00884	29.8
124.01657	2.8
125.02443	90.2
126.02810	1.4
127.00323	1.1
136.98842	1.6
137.02480	1.3
139.00374	5.5
140.01122	4.0
143.05043	1.2
151.00368	1.8
153.01910	1.7
159.04546	1.8
161.02446	1.4
161.06075	1.2
163.03986	1.6
166.99847	11.7
168.00642	8.7
169.01410	100.0
170.01744	2.9
170.03230	1.2
171.04486	1.4
173.02359	1.2
174.03162	1.6
177.01941	2.4
179.03448	2.1
187.04077	1.5
189.01959	1.7
189.05487	1.9
190.02635	1.2
191.03465	2.2
193.01347	3.0
199.03906	1.1
205.01472	1.8
205.05101	2.2
207.02986	1.9
211.02382	5.3
215.03467	1.7
217.01509	1.1
217.05055	1.5
219.03053	1.1
221.00891	1.7
233.04491	1.9
239.75029	1.0
249.04063	1.5
259.02469	2.3
261.03964	2.4
277.03418	3.3
279.05066	3.2
295.04587	2.7
313.05630	5.7
429.04633	1.8
431.06250	2.2
447.05621	3.8
465.07089	2.3
552.02319	1.1
599.06403	4.1
601.08325	2.7
617.07843	12.7
769.08911	50.2
770.08801	6.2
787.09839	4.7
939.11145	17.2
940.11053	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	937.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	9.9
73.02927	2.1
79.95726	1.4
83.05021	2.7
85.02943	1.8
87.00877	2.5
89.02457	9.4
92.86088	1.3
96.96003	1.4
97.02956	1.7
98.19853	2.0
101.02441	7.8
106.02930	1.2
111.15938	1.4
113.02457	3.3
116.92845	2.8
119.03515	2.4
125.02441	4.3
142.45656	1.3
143.03493	1.6
161.04549	3.2
163.11255	2.4
179.05617	3.2
191.05588	3.3
195.13855	3.9
197.11827	3.8
209.11806	67.8
210.12239	2.7
211.13377	1.8
221.06644	1.7
223.13387	4.2
227.12903	18.3
235.08160	2.5
268.13745	1.4
275.20166	4.1
293.21231	100.0
294.21585	8.9
309.20618	3.5
323.09940	2.4
379.12476	4.2
397.13495	42.1
398.13785	3.3
415.14548	14.6
589.24615	2.7
607.26740	6.4
673.34357	5.1
691.35291	8.7
883.46521	3.0
937.45740	34.0
938.45337	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	939.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34492	1.1
67.01874	1.9
69.03475	1.4
69.44720	9.7
79.01854	2.0
81.03445	1.9
87.94727	1.1
95.01381	12.5
97.02946	3.7
107.01389	7.1
111.00870	2.6
123.00884	31.7
124.01616	2.9
124.33914	1.1
125.02443	87.2
126.02739	1.6
127.00318	2.5
137.02422	1.3
139.00359	6.1
140.01151	4.6
141.01901	1.8
149.02469	1.6
151.00369	1.7
161.02412	3.4
166.99849	12.1
168.00652	9.9
169.01418	100.0
170.01726	3.6
171.04524	1.1
173.02361	1.8
176.68378	1.2
177.01863	2.0
179.03484	2.6
187.04054	2.4
189.05627	1.8
191.03339	1.3
191.05537	2.1
193.01369	1.8
203.03468	1.4
205.01389	3.3
205.05048	2.3
207.03014	1.7
210.14632	1.2
211.02449	2.8
215.03459	2.7
221.00833	1.6
233.04536	4.0
245.75685	1.6
249.94827	1.3
259.02386	1.7
261.03964	2.4
277.03610	3.8
279.05008	3.4
295.04507	5.1
313.05573	5.1
366.95590	1.3
431.06000	4.5
438.73465	1.6
447.05585	5.4
465.06488	5.3
469.54617	1.3
599.06970	3.8
601.08667	1.7
614.22382	1.6
617.07776	12.5
710.54694	1.5
769.08868	54.9
770.09491	7.7
787.10077	9.4
788.10852	2.2
939.11182	18.3
940.13141	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	937.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	10.9
73.02922	3.0
81.85516	1.2
83.05012	2.0
85.02917	2.6
87.00877	2.2
89.02427	7.4
96.95979	2.6
97.02956	1.8
98.19862	3.3
101.02431	5.5
113.02422	3.6
119.03487	2.4
121.02869	1.4
125.02375	3.3
128.13422	1.1
143.03488	2.6
161.04521	1.8
161.23369	1.3
163.11305	1.9
165.12758	2.1
169.12216	1.5
169.74579	1.2
179.05594	5.7
185.08076	1.2
191.05609	1.8
195.13876	4.2
209.11818	74.8
210.12097	4.8
223.13399	2.5
227.12865	18.4
235.08168	4.5
275.20187	2.1
287.07669	1.5
293.21201	100.0
294.21512	7.7
300.99564	1.5
323.09955	1.8
379.12457	4.0
397.13483	55.6
398.13663	2.5
406.92380	1.4
414.30249	1.6
415.14551	14.2
589.24475	2.0
607.26166	9.6
615.25970	1.5
673.34570	2.6
691.35480	3.6
883.47455	2.0
937.45435	31.5
938.45886	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	937.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.3
67.01892	2.0
69.03453	0.9
71.01380	2.0
73.02948	0.4
81.03450	1.0
83.05020	0.8
85.02949	13.7
85.77420	0.2
87.00870	4.4
89.02420	0.2
93.03456	14.3
94.03780	0.5
95.01350	0.5
97.02960	0.2
99.00826	0.4
99.04516	0.7
108.02167	0.3
109.02956	2.1
111.04520	2.7
113.02435	0.2
120.09516	0.2
121.02927	0.6
122.03725	0.7
124.01682	0.3
125.02458	0.5
127.04004	3.5
129.01949	0.4
134.03757	0.6
135.04532	2.6
137.02438	5.6
149.02425	0.9
149.06003	0.3
150.03207	3.3
151.03935	0.3
155.03497	0.7
161.02380	0.4
165.05562	2.6
169.01402	0.5
171.02980	0.9
173.04547	3.4
177.61810	0.2
179.03436	0.4
180.04207	0.3
191.05598	100.0
192.05954	2.9
300.99802	0.5
353.09113	0.5
449.13989	0.3
459.14548	0.3
475.17416	0.3
591.36279	0.2
653.24115	0.4
707.32727	0.3
722.22064	0.7
727.23755	0.5
745.25146	0.9
754.52234	0.3
799.28705	0.7
919.30286	8.1
920.30847	1.6
937.31232	7.7
938.30432	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	937.0947
Annotation	Punicafolin
Peak:m/z	Relative Intensity
69.49960	0.6
69.52346	4.4
85.02910	0.8
93.03448	0.9
95.01392	3.5
97.02957	0.7
97.32114	0.7
107.01403	2.5
117.03439	0.9
123.00875	6.2
124.01617	0.9
125.02438	17.3
135.04544	1.0
137.02423	1.1
139.00343	1.1
143.28177	0.7
143.92476	0.7
145.02928	2.2
147.04489	1.5
151.04106	0.6
157.02914	1.2
159.04494	2.0
161.02419	1.9
163.04024	1.3
165.02003	0.8
166.99854	1.6
168.00571	1.2
169.01425	15.1
173.02405	2.7
173.04631	0.8
175.03928	2.8
177.01883	0.9
179.03629	0.8
185.02400	3.4
189.01945	1.5
190.02736	1.1
191.03682	1.5
191.05603	7.6
192.05994	0.7
193.01369	0.9
201.01900	4.4
203.03476	5.0
213.01936	1.3
217.01367	1.8
218.01819	0.7
219.03085	0.9
226.99808	1.0
229.01382	9.3
231.02945	6.2
245.00826	5.2
247.02448	2.3
248.03166	1.6
249.04012	12.5
255.99864	0.8
257.00845	5.6
258.01553	1.8
273.00412	3.8
274.01080	1.5
275.01950	22.4
276.02353	1.1
283.99707	2.6
291.01730	0.8
299.99045	2.9
300.99875	100.0
302.00238	6.1
313.05695	3.1
338.61813	0.6
419.06317	1.6
465.06766	5.2
467.15643	2.8
468.15619	1.4
485.18073	0.7
582.38348	0.8
706.78607	0.8
741.09143	1.0
767.07361	3.7
768.07086	0.9
785.08209	2.1
937.09595	23.8
938.10059	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	935.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	32.8
72.99327	3.9
73.91956	2.9
78.95905	22.3
79.22562	3.0
80.96548	3.1
83.01419	2.9
83.05032	6.4
85.02945	20.5
87.00867	6.6
89.02435	22.5
95.01428	3.6
96.95992	15.3
96.96960	12.8
97.02933	7.5
98.20648	8.4
101.02442	18.3
109.06570	4.7
110.03729	3.6
112.98635	2.8
113.02450	12.4
119.03436	6.7
125.02453	15.8
142.02760	4.3
143.03528	7.5
171.10229	5.8
177.12814	8.4
221.11800	100.0
222.12068	6.5
235.08200	9.0
239.12881	61.3
255.23270	76.2
256.23672	5.4
287.04730	3.7
305.08600	4.8
323.09930	4.1
379.12326	9.9
397.13501	52.0
398.13852	4.7
415.14508	10.3
502.94232	3.4
619.26044	7.9
620.26196	3.4
637.27185	7.5
875.50116	37.9
876.50385	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	935.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83572	0.5
69.03460	2.2
70.35997	0.5
70.36339	1.3
71.01380	13.9
71.05010	0.6
72.99288	0.7
73.02946	1.5
78.95905	0.8
80.02667	1.2
81.03442	2.0
81.06235	0.4
83.01387	1.6
83.05027	4.3
84.02150	0.9
85.02466	0.5
85.02953	9.0
87.00877	2.4
89.02447	8.8
89.56807	0.4
93.03477	0.9
95.01368	1.3
95.05018	1.1
96.96007	2.4
96.96954	1.0
97.02952	3.3
97.06581	2.0
99.00867	1.0
101.02432	9.2
109.02944	0.5
109.06593	0.8
111.04475	0.6
113.02439	4.8
116.92897	0.6
119.03501	2.5
125.02425	3.2
125.09738	0.7
127.11310	1.3
131.03467	0.6
135.08142	0.5
137.09717	1.7
143.03467	1.3
155.10793	0.7
161.04538	1.9
163.11299	4.0
165.12813	1.7
167.14397	0.6
169.01512	0.7
171.10265	19.5
172.10573	0.8
177.12840	0.8
179.05597	3.5
181.12329	0.7
183.13899	2.2
185.11842	0.5
191.05740	2.3
191.10794	0.7
193.12315	0.6
199.13361	0.5
201.11325	1.5
207.10352	0.6
209.11818	58.4
210.12158	4.0
211.13368	9.5
212.13751	0.8
221.06589	1.4
221.11842	1.9
225.11378	1.0
227.12886	6.8
229.14441	8.2
235.08206	3.7
239.12982	1.1
258.49655	0.6
287.07632	1.0
291.16806	0.7
291.19669	4.1
305.08740	1.1
309.20654	7.9
323.09778	0.8
327.21747	100.0
328.22055	8.0
379.12241	0.6
397.13498	30.7
398.13885	2.4
411.98093	0.6
415.14566	14.0
416.14774	1.0
449.12225	0.5
519.33130	1.4
585.53491	0.6
607.25793	1.9
707.34827	2.9
725.35986	3.5
726.36542	0.7
751.20203	0.5
864.92743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47710	1.9
69.48118	2.7
78.95897	0.9
80.96533	1.2
93.23385	0.6
114.04458	0.9
209.11879	1.3
240.29315	0.7
407.33145	1.8
455.35281	100.0
456.35620	12.7
933.69507	78.3
934.69946	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.441
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17361	3.8
69.63429	24.5
71.01383	8.8
73.02929	4.5
75.12914	3.6
78.95914	13.8
80.96500	5.2
89.02467	9.3
96.96015	6.5
97.02962	5.1
98.20650	7.6
101.02428	8.9
102.26447	3.5
109.06603	19.9
116.92875	18.7
119.03461	4.4
125.02464	4.3
161.04492	5.3
163.11298	15.4
167.55023	4.3
179.05704	7.3
191.05603	8.7
193.96262	4.1
195.13744	4.1
207.10236	62.8
209.11812	16.3
211.13403	4.4
225.11293	36.9
235.08194	5.8
293.21231	100.0
294.21622	9.9
295.23032	4.0
305.08661	4.7
357.05438	3.9
397.13565	39.4
415.14651	18.9
512.32343	4.0
577.07617	4.4
605.24396	17.1
623.25366	9.6
658.28223	4.9
739.69110	5.4
881.44336	9.1
899.46436	83.8
900.47229	27.4
935.44556	49.3
936.43756	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	933.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	7.5
69.37543	12.7
70.58047	1.6
71.01381	76.9
72.99294	2.4
73.02944	11.3
75.00854	1.8
78.95899	8.9
79.40564	1.5
79.95759	2.3
80.02705	2.0
81.03471	3.1
83.01381	4.2
83.05035	6.1
85.02950	14.3
85.95633	1.5
87.00884	10.7
89.02441	32.0
93.03481	2.0
95.01392	4.2
95.05023	3.4
96.96016	31.7
96.96936	9.6
97.02937	13.9
97.06607	3.6
99.00888	5.6
101.02436	30.5
107.04996	1.6
109.06569	7.7
111.00908	3.5
111.04514	2.9
111.08157	6.7
112.72305	1.6
113.02434	19.6
116.92790	1.4
119.03500	9.2
121.02911	1.5
122.91766	1.7
123.04546	1.9
125.02430	12.9
125.09702	6.0
127.07697	1.6
127.11283	5.0
133.04959	1.7
134.67946	1.5
136.05367	1.8
136.18283	1.5
137.09738	3.6
139.07651	1.7
141.01909	2.3
143.03505	7.1
147.90320	1.5
149.09718	2.4
151.11266	1.9
153.09190	1.6
155.10771	4.8
161.04544	4.9
163.11287	12.6
165.12831	6.3
167.10692	2.0
169.01317	1.7
169.12387	4.3
171.10262	54.9
179.05629	9.1
179.10779	2.1
181.12405	9.0
181.13904	1.6
183.13817	1.5
185.11797	6.6
189.09230	2.6
191.05583	3.9
197.11838	33.0
198.12134	2.4
199.13441	2.5
201.11308	37.2
202.11642	1.7
207.10239	28.4
209.11819	44.0
210.12210	2.7
211.13379	9.9
215.12868	6.4
221.06720	5.2
221.11737	1.9
223.13379	1.8
225.11305	59.1
226.11652	2.6
227.12880	9.7
235.08168	8.4
243.12344	5.9
245.19078	2.2
247.20602	3.8
253.09315	4.2
253.87259	1.6
263.20074	2.9
273.18832	1.5
289.18179	7.8
291.19659	37.6
292.20050	2.4
293.21216	5.3
307.19269	7.9
308.19733	1.7
309.20703	100.0
310.21017	7.4
341.23358	6.8
379.12442	6.6
397.13480	53.9
398.13849	2.7
415.14621	24.7
439.14362	4.2
457.15631	3.0
535.36285	1.7
605.24359	5.2
623.25262	7.5
689.33893	2.0
746.65240	1.7
915.45703	10.8
916.46344	2.9
933.46191	6.6
934.46155	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	931.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36344	4.5
71.01394	10.3
71.10118	7.8
78.95908	3.7
82.50313	3.6
87.00859	4.4
89.02431	9.3
101.02424	8.1
113.02440	7.8
121.02927	19.0
125.02420	11.5
145.31670	4.0
161.04488	9.1
179.05600	6.1
186.19684	4.1
191.05586	7.3
202.01419	3.6
203.48019	4.1
209.04489	12.5
209.09879	8.0
209.11809	100.0
210.12216	6.4
227.12866	18.0
229.94461	4.9
235.08087	4.9
255.23331	52.2
379.12582	21.2
397.13461	60.0
415.14188	7.2
589.24707	9.2
607.26270	6.7
635.36359	14.1
653.37555	14.4
685.97943	4.6
845.49249	8.8
931.50366	47.9
932.50568	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	932.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53838	13.1
80.96502	10.0
86.03255	7.3
89.02428	13.8
96.95996	16.8
149.87335	7.8
191.05597	20.3
209.11859	19.8
270.18207	9.5
277.21683	19.9
448.66815	9.4
471.34833	100.0
472.35458	48.0
615.29895	10.7
932.47083	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	931.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	5.4
69.03456	4.8
70.72948	5.0
70.73289	5.5
71.01381	81.0
72.99300	8.5
73.02939	9.0
81.03433	5.3
83.01402	6.2
83.05009	8.4
85.02960	17.2
87.00864	13.5
89.02445	28.5
95.01380	5.4
97.02954	15.9
97.06586	3.2
101.02431	29.7
108.61730	3.3
109.02950	3.1
110.03729	5.3
111.04517	26.3
111.08155	7.0
113.02467	18.2
119.03503	11.5
123.04557	3.3
123.08167	6.2
125.02441	7.9
125.09719	13.1
131.03531	3.1
143.03476	5.7
151.11287	9.1
153.09206	5.0
161.04515	7.8
161.09677	13.2
163.11218	7.2
165.12857	7.8
169.12463	3.0
171.10286	59.7
177.09253	7.2
179.05563	8.9
179.10753	19.8
185.11794	4.7
187.09843	3.6
191.05624	11.2
195.10234	3.1
196.95224	2.9
197.11804	20.9
201.11241	4.4
202.33578	3.2
205.08656	20.7
207.10228	3.9
209.11824	32.7
211.13283	3.5
213.11337	6.1
221.06609	4.5
223.09756	74.9
225.11356	9.7
227.12794	7.9
235.08203	8.4
241.10823	5.7
247.20787	5.6
284.99573	3.3
287.07559	3.6
291.19647	46.3
292.20154	4.3
307.19131	5.3
309.20691	100.0
310.21027	13.1
316.56009	2.8
323.18515	4.7
378.47192	3.2
379.12378	5.5
397.13474	56.7
398.13800	4.4
415.14478	25.7
603.23163	10.2
621.23981	11.0
707.35150	4.9
726.50452	3.5
726.78461	3.0
740.98279	3.0
887.41870	4.1
902.43701	3.2
913.44659	25.8
914.43280	6.8
931.44952	32.5
932.45935	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	931.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	3.1
69.42838	5.6
71.01373	1.0
72.97697	0.8
81.03456	1.2
83.05019	1.0
85.02950	9.1
87.00862	4.1
93.03449	19.5
98.20737	0.9
99.04538	1.0
107.01402	1.2
108.02189	1.8
109.02980	4.0
111.04511	2.7
114.28417	0.8
121.02896	1.3
127.04033	2.1
134.03749	4.2
134.04623	0.8
135.04485	1.0
136.01643	3.4
137.02446	3.2
148.01736	0.7
151.00360	5.7
151.04022	1.5
155.03546	1.3
158.67053	0.8
159.04541	1.0
160.01563	1.0
161.02405	1.2
163.00406	1.6
171.02959	1.1
173.04535	11.4
178.99864	3.4
183.04485	0.9
187.07539	1.3
189.06741	1.2
191.05603	100.0
192.05948	2.5
199.18835	0.8
203.06830	0.8
203.10703	2.1
213.09216	2.5
231.10292	2.7
235.61140	0.8
237.17171	0.9
243.02960	3.4
254.02217	1.2
255.02985	11.7
257.08151	5.1
271.02466	27.1
272.02850	3.5
273.03033	0.8
275.09161	1.4
293.10358	5.3
293.77875	0.7
300.02731	52.0
301.03436	26.9
302.03632	2.9
303.03958	1.3
304.03909	0.9
323.12442	2.2
431.13589	1.9
449.14493	13.8
450.14819	2.3
463.08777	68.4
464.09085	9.1
465.09326	3.4
466.09763	2.1
467.15579	56.2
468.15869	6.5
481.17123	1.5
488.34940	1.0
735.23761	0.8
741.61407	0.9
848.74695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	7.1
71.54809	5.0
78.95910	16.3
82.58126	4.5
83.10946	4.7
85.02955	13.8
87.00917	4.8
87.02229	5.1
93.03459	18.6
96.95990	11.6
125.02435	9.0
135.04523	20.3
136.64677	5.1
158.25061	5.3
161.02298	5.4
167.85764	4.7
179.03468	6.1
191.05606	100.0
192.06039	7.8
203.74724	5.1
209.11792	15.8
218.47141	4.5
241.67059	5.2
275.02045	6.7
283.13211	6.0
300.99857	13.4
353.08844	4.7
449.14554	6.3
747.25610	5.3
859.74103	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	931.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50270	6.4
69.50680	3.4
84.36508	1.6
85.02939	4.1
93.03439	2.7
97.65455	1.4
108.02218	1.6
111.04463	1.4
125.02425	1.5
137.02382	1.5
151.00374	9.3
161.06104	1.6
175.92815	1.5
178.99831	2.4
191.05612	37.0
192.06049	8.2
193.05949	2.1
203.06735	1.4
223.38203	1.4
243.02983	2.2
255.03036	11.8
256.03284	2.1
271.02493	20.0
272.02814	2.5
300.02716	47.5
301.03448	46.9
302.03665	4.6
447.09296	100.0
448.09653	15.6
449.09702	3.3
481.17035	3.8
482.17361	6.7
483.15759	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	929.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03966	0.4
67.01888	12.3
69.03455	3.4
69.93708	1.7
71.01383	3.8
76.77434	0.3
81.03448	2.5
83.01350	0.5
83.05029	1.7
85.02942	0.9
87.00872	16.1
93.03455	100.0
94.03778	2.5
99.00870	2.3
99.04504	2.1
101.02470	0.6
109.02946	1.2
111.04511	12.9
113.02446	1.3
115.04032	0.7
116.92865	0.6
117.19110	0.4
124.01688	0.4
125.02438	0.7
129.01944	2.0
133.02946	2.1
134.03732	6.6
135.04536	3.0
137.02432	1.9
139.04048	0.5
143.03470	0.9
151.00356	0.4
151.04018	0.4
155.03503	2.8
162.03131	0.6
169.01414	1.0
173.04539	37.6
174.04846	1.3
177.01912	1.5
178.02692	6.1
179.03426	0.8
190.39223	0.4
191.03958	0.6
191.05591	5.0
205.01855	0.4
243.02869	0.4
271.02469	0.9
275.09216	0.9
300.02771	1.6
301.00110	0.4
301.03369	1.3
308.23111	0.4
351.07062	0.6
352.08005	0.4
357.96509	0.4
447.09348	2.9
449.14505	61.1
450.14871	5.6
481.17108	72.0
482.17407	7.5
678.16870	0.5
839.75665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	3.1
66.25154	0.6
71.01364	3.2
71.53310	0.6
71.53724	0.8
83.01376	2.7
85.02947	2.5
87.00873	1.2
90.92236	0.6
93.03446	2.3
107.01393	7.8
109.02938	4.5
113.02452	1.3
120.44364	0.6
121.02959	6.6
125.02404	0.8
140.70210	0.6
149.02422	1.0
151.00363	28.1
152.00722	1.0
159.04445	0.8
163.00356	3.4
164.01167	0.8
169.01366	1.3
172.05214	0.9
173.04524	1.0
173.06084	0.6
175.02473	1.4
178.99850	13.3
180.00157	0.6
183.04480	1.1
185.06012	0.9
187.04034	1.5
187.07668	4.9
191.05588	13.2
193.01491	0.9
201.05627	1.0
202.06306	2.4
211.03999	1.5
213.09206	1.9
215.07146	1.5
227.03468	0.9
229.04950	1.6
229.08586	1.1
231.10229	2.6
239.03529	0.8
245.04620	3.1
255.02962	3.7
257.08185	1.1
271.02454	1.2
273.03918	1.8
275.09244	9.0
283.02432	2.9
301.03513	100.0
302.03848	7.2
334.39285	0.6
408.10327	0.7
443.40564	0.6
449.14517	8.9
450.14948	0.7
477.06720	67.4
478.07095	6.2
604.74615	0.6
608.86066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66803	3.8
85.02976	0.8
88.98795	1.2
93.03439	0.7
105.71016	0.5
110.56444	0.5
116.65818	0.6
117.03460	23.0
118.03789	1.3
119.05019	3.9
144.03300	0.6
145.02954	97.1
146.03297	3.1
163.03984	3.4
166.88680	0.6
191.05600	1.9
293.21198	9.7
294.21533	0.8
610.28101	1.3
633.37921	100.0
634.38312	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	926.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50232	38.2
71.01382	59.8
106.70071	39.7
176.14014	40.0
181.86877	36.4
191.05533	100.0
209.11768	97.4
223.87624	38.3
233.02213	43.3
237.31128	36.1
345.87686	51.6
397.13593	45.5
746.25140	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	100.0
71.28724	81.6
113.02429	50.5
120.71774	41.9
141.42560	48.1
650.19861	52.6
863.47412	67.4
864.50214	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.496
Annotation	Unknow
Peak:m/z	Relative Intensity
83.75498	14.9
92.61456	15.2
117.03469	19.2
145.02960	53.9
145.64076	16.4
154.80870	13.9
155.11061	14.9
209.11801	18.2
385.40289	17.4
486.54510	17.4
617.38574	100.0
618.38892	43.9
834.08679	16.9
858.88971	16.8
931.56177	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	922.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	7.5
75.26847	5.9
79.84694	5.5
84.61869	7.0
97.27223	5.6
98.19855	16.0
99.92597	15.2
103.54109	5.9
116.92856	100.0
192.40202	7.0
194.33746	6.2
209.11806	10.3
223.13397	11.0
224.13751	11.7
255.23116	10.7
286.97150	6.0
305.17615	10.7
307.18951	7.6
309.54968	6.6
323.18729	12.1
576.09143	6.3
624.25476	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	923.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98912	3.3
69.03458	3.8
69.30027	6.1
69.30434	19.3
71.01381	13.7
71.81407	3.4
72.97628	2.7
78.95893	8.4
85.02957	5.4
86.30785	3.0
89.02428	8.6
90.98997	2.5
96.96035	5.3
96.96958	3.8
99.00852	3.1
99.92561	5.1
100.79556	3.1
101.02444	8.6
111.00929	3.5
112.95082	3.0
113.02453	4.7
115.92040	6.9
116.92892	6.6
118.93726	3.5
119.03505	4.1
121.02910	3.0
125.02414	7.5
131.39169	2.7
163.11197	3.0
176.81755	3.0
185.40509	2.9
191.05647	5.2
209.11816	100.0
209.13792	5.7
210.12088	4.4
227.12837	11.6
235.08203	5.8
255.23257	42.0
277.21872	4.4
290.34174	3.2
305.08682	3.8
379.12500	10.6
397.13409	29.2
415.14478	4.0
459.89209	3.9
497.38379	3.5
520.29004	3.4
645.60876	3.6
751.42236	4.5
813.21838	3.3
931.41986	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	924.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26591	22.2
71.01389	43.9
71.09914	19.7
71.10250	30.7
72.71568	19.1
78.95892	34.9
82.16087	22.0
89.02402	28.5
93.20718	18.1
101.02447	40.1
116.92859	40.8
119.03527	21.3
125.02416	26.8
184.74216	20.0
191.05623	21.9
207.10167	53.1
209.08968	18.9
209.11871	100.0
210.12202	33.1
224.31355	21.2
225.11317	21.9
255.23227	85.0
256.23572	47.0
397.13379	60.7
398.13708	30.9
863.48022	30.2
864.49225	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17451	10.3
71.01387	14.6
72.99309	1.9
73.02950	2.4
75.00866	1.4
78.96326	1.1
81.03434	1.4
83.01370	2.9
85.02940	4.8
87.00866	4.9
89.02442	10.4
93.03450	1.9
95.01403	1.5
97.02946	9.9
97.06614	2.0
99.00870	17.5
99.73553	1.0
101.02436	10.3
109.06569	6.8
110.03807	0.9
113.02462	6.2
116.92851	4.5
119.03477	3.1
125.02428	4.8
125.09721	6.3
130.49963	1.1
135.08145	1.6
136.05290	2.5
142.02724	1.7
142.27133	1.0
143.03462	1.3
161.04546	2.6
163.11246	10.0
179.05569	1.8
181.12331	12.2
193.90016	1.1
199.13353	1.2
207.10252	51.4
208.10591	3.2
209.11794	2.4
221.06693	1.8
225.11314	64.3
226.11615	2.6
235.08179	3.0
243.12358	18.7
255.23279	65.8
256.23615	4.6
263.07593	1.4
335.05902	1.1
379.12289	3.1
397.13528	15.5
415.14520	1.8
510.01263	1.1
605.24481	16.7
606.25000	2.6
623.25720	6.9
653.37445	1.6
724.75092	1.3
861.48425	100.0
862.48724	17.6
958.00842	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	921.506
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	1.5
69.03445	3.2
69.22959	1.3
70.25341	1.2
70.65711	1.5
71.01378	26.3
72.99287	2.6
73.02946	4.2
75.49607	1.2
78.95945	1.3
81.03455	3.1
83.01387	2.2
83.05026	2.9
85.02955	6.1
87.00869	5.8
89.02451	21.0
95.01381	3.8
97.02939	13.7
99.00855	3.0
101.02437	18.2
109.06585	33.2
111.04516	1.4
113.02457	11.3
119.03487	5.6
121.06605	2.3
125.02438	8.8
126.56893	1.6
135.08130	4.4
136.05281	1.9
141.01918	2.0
142.02722	1.6
143.03520	3.7
161.04550	5.4
161.09787	1.6
162.71013	1.6
163.11298	22.1
179.05600	5.2
181.12288	4.1
185.04562	1.7
189.09242	2.5
203.02606	1.4
207.10239	100.0
208.10577	5.8
208.23897	1.5
209.11754	3.4
225.11310	37.7
235.08127	6.1
243.12381	2.6
255.23271	94.4
256.23587	5.8
287.07343	1.5
305.08658	2.1
332.83777	1.6
370.19446	1.5
379.12408	11.6
397.13492	62.2
398.13632	4.2
415.14563	13.2
587.23309	3.2
605.24298	7.2
623.25378	2.4
653.37225	4.9
843.46967	2.8
861.48438	71.6
862.48950	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	921.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	8.1
72.99342	1.5
76.00093	1.2
83.05038	3.3
85.02972	2.1
87.00889	2.8
89.02448	10.2
91.00877	1.1
101.02434	8.4
113.02443	6.3
118.31860	1.4
119.03504	5.5
125.02465	4.3
143.03468	2.6
161.04510	2.6
163.11250	2.8
179.05621	5.6
209.11815	100.0
210.12175	4.0
227.12885	23.5
229.30350	1.6
235.08206	4.3
277.21704	39.8
278.22104	2.3
287.07739	1.7
323.09824	1.8
379.12427	13.3
393.65353	1.3
397.13470	51.5
398.13876	2.5
415.14542	11.7
589.24878	5.9
607.26056	8.1
657.34863	1.5
675.36115	3.6
764.68622	1.5
921.46124	18.3
922.46973	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	919.266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.6
69.03455	0.6
69.19804	2.2
69.20212	0.9
71.01379	0.9
73.02890	0.3
78.95912	0.4
81.03458	0.7
81.75207	0.3
85.02959	0.8
87.00875	1.0
89.02372	0.4
89.03967	1.9
93.03461	4.2
95.05056	0.4
96.96020	0.7
97.02967	0.5
101.02440	0.4
105.03446	3.2
105.36187	0.3
108.02174	0.5
109.02943	0.4
111.04478	0.5
121.02972	0.5
124.01701	1.6
124.47311	0.3
125.02449	1.6
133.01930	0.6
133.02950	9.9
134.03723	1.5
134.97371	0.3
135.04520	17.7
136.04826	0.6
137.02441	0.9
147.04526	1.7
148.01608	0.5
149.02464	0.8
150.03152	1.1
151.04015	2.7
158.35518	0.3
160.01561	0.4
161.02530	0.6
163.04002	0.4
169.01385	0.9
169.12326	0.8
173.04524	1.3
176.01152	0.9
177.01917	100.0
178.02225	3.8
179.03477	4.2
180.04147	0.6
181.12405	0.3
191.05580	6.9
206.26895	0.4
207.10281	1.1
209.11813	2.6
211.98650	0.3
213.11266	0.9
225.11363	1.0
227.12927	0.6
251.62602	0.4
290.84802	0.4
300.99609	0.3
307.08246	0.9
308.09000	2.3
312.64395	0.3
323.07877	0.4
352.07928	4.7
353.08255	0.5
397.13275	0.6
415.68240	0.3
449.14478	19.6
450.14752	1.7
462.59134	0.3
469.11362	36.4
470.11688	3.8
602.35529	0.4
661.96051	0.4
833.38391	0.6
851.39423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.36018	1.1
68.99568	68.9
69.03450	2.5
71.01377	19.2
72.99276	1.3
73.02937	4.1
83.01382	2.9
85.02940	7.6
87.00875	4.5
89.02446	17.4
95.01398	2.8
97.02937	4.6
99.92544	1.5
101.02439	17.5
112.98566	51.2
113.02452	10.4
114.67935	1.1
116.92862	12.0
119.03474	4.7
125.02456	7.1
143.03506	2.5
144.94827	1.4
161.04532	4.5
164.32181	1.3
167.10791	3.3
179.05595	4.1
179.14328	1.4
195.13936	9.1
205.12280	8.6
209.11868	1.6
217.07121	1.8
221.06633	2.1
223.13385	100.0
224.13702	4.1
235.08185	6.3
255.23280	74.3
256.23566	5.5
287.07687	1.3
305.08664	2.6
323.09708	2.6
379.12360	12.7
397.13461	57.7
398.13800	2.6
415.14566	9.1
603.26575	11.4
621.27582	7.0
635.36255	3.9
653.37708	8.2
654.37378	2.6
859.49866	8.2
860.50531	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	917.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71151	1.5
71.01379	17.1
71.53266	1.1
72.99304	2.1
73.02950	3.4
75.00883	1.5
78.95899	3.4
80.96507	3.8
83.01390	2.2
83.05029	3.4
85.02956	3.3
87.00868	4.9
88.99800	1.4
89.02443	11.9
95.01386	1.8
95.04996	1.8
96.95995	7.0
96.96928	1.6
97.02943	3.1
99.00901	1.5
101.02438	12.6
113.02443	6.2
119.03500	3.8
124.78218	1.2
125.02423	5.5
143.03494	2.2
161.04532	3.8
163.11252	2.7
165.12866	2.6
179.05536	3.0
191.05557	1.9
209.11813	100.0
210.12164	6.1
227.12869	12.5
235.08235	4.9
250.77528	1.3
253.08873	1.3
259.15564	3.7
277.21725	49.6
278.21970	4.2
293.21405	2.3
379.12408	8.5
397.13470	47.4
398.13513	2.8
415.14581	10.9
583.40308	1.4
675.36292	2.1
917.47736	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	917.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	14.9
72.10870	1.1
73.02961	3.0
78.91891	1.4
79.95739	3.4
80.96511	1.9
83.01414	1.3
83.05007	5.6
85.02962	3.5
87.00877	3.8
89.02445	10.6
95.05010	1.4
96.96006	1.3
97.02944	1.5
98.20681	2.5
101.02440	9.7
113.02444	4.3
119.03461	2.3
125.02451	6.2
128.11961	1.5
154.25478	1.3
161.04587	3.0
163.11255	4.2
165.12894	1.8
171.70706	1.4
179.05576	3.0
191.05617	5.8
191.10878	1.4
197.10129	1.3
209.11815	100.0
210.12144	4.5
221.06563	1.6
227.03632	1.5
227.12854	8.6
235.08212	5.5
259.15775	1.6
277.21698	43.6
278.22101	2.9
282.16913	1.4
291.23120	1.6
305.08908	1.8
379.12241	7.2
397.13477	31.7
398.13669	2.4
415.14563	7.8
562.46368	1.5
589.25092	1.7
599.28601	3.0
599.78809	1.7
607.26123	2.2
831.37878	1.8
870.48724	1.4
917.46948	4.7
918.47980	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	917.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.7
71.01381	17.2
72.99303	1.4
73.02951	2.8
78.95901	0.6
80.02690	2.2
80.03087	0.5
81.03457	2.4
83.01382	1.5
83.05021	7.1
84.02168	1.0
85.02946	4.7
87.00875	3.9
89.02444	14.0
93.03482	0.6
95.01363	1.6
95.05022	1.3
96.96015	4.1
96.96976	1.4
97.02940	2.9
97.06549	0.6
98.20689	0.9
99.00881	0.6
101.02441	12.5
109.02934	0.6
109.06598	1.0
111.08152	7.2
113.02452	7.7
119.03477	3.9
125.02461	4.3
125.06123	0.6
127.07629	1.1
130.29950	0.5
131.03481	0.5
135.08199	0.6
143.03503	2.0
151.11258	0.7
153.12820	0.8
160.10048	0.4
161.04541	3.6
163.11284	6.9
165.12871	3.2
169.12360	4.1
171.10263	2.1
171.68913	0.5
178.54373	0.5
179.05571	3.5
181.12361	1.8
183.13869	0.6
191.05679	0.8
191.10779	1.4
193.12247	0.6
197.11819	42.2
198.12155	1.9
199.06302	0.6
199.13379	2.1
201.11375	0.5
207.10181	0.9
209.11816	100.0
210.12132	4.7
211.13371	7.0
211.15205	0.8
221.06621	1.0
225.11296	1.2
227.12863	13.3
228.13235	0.6
229.07350	0.4
235.08272	5.1
251.12946	0.6
253.09375	0.8
263.07748	0.9
263.20053	1.8
265.18039	1.0
287.07748	1.6
291.19647	12.9
292.19965	0.7
293.21118	2.8
305.08673	1.7
309.20697	63.8
310.21051	4.6
323.09763	1.1
379.12460	2.6
397.13492	39.7
398.13791	3.0
415.14587	12.5
416.14856	0.5
505.08176	0.5
607.26025	2.1
625.90704	0.5
683.46881	0.6
689.33887	0.9
707.34991	1.1
733.48285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35307	0.4
68.99525	0.5
69.03450	1.6
69.80289	2.1
71.01381	17.9
72.99308	0.5
73.02927	2.3
78.95905	1.0
80.02670	1.8
81.03445	2.1
83.01372	1.5
83.05025	6.5
84.02146	0.8
85.02940	4.2
87.00869	4.3
89.02440	13.2
93.03476	0.6
95.01380	1.6
95.05039	1.3
96.95998	2.7
96.96956	1.2
97.02940	3.3
97.06586	0.5
99.00881	0.8
101.02438	12.0
109.06567	1.1
111.08158	8.6
113.02451	6.9
119.03526	3.3
121.02927	0.5
125.02434	5.4
125.06039	0.7
131.03476	0.7
135.08162	0.8
139.04007	0.9
143.03484	2.1
149.04504	0.5
149.09718	0.4
151.11325	0.6
153.12839	0.9
161.04543	2.7
163.11253	4.8
165.12868	3.1
169.12315	3.4
171.10262	2.8
179.05609	4.8
179.10797	0.5
181.12321	1.5
183.13907	0.8
185.04448	0.5
191.05717	0.6
191.10828	1.1
193.12138	0.7
197.11823	45.6
198.12193	1.7
199.13376	3.0
201.11378	0.6
207.10255	0.7
209.11813	100.0
210.12141	5.3
211.13385	7.3
217.07123	0.6
221.06712	2.3
225.11339	1.6
225.14998	0.6
227.12883	13.5
228.13155	0.9
235.08194	4.7
251.12917	0.5
253.09204	1.5
263.07562	0.9
263.20114	3.1
265.18073	1.3
273.18497	1.4
277.08917	0.5
287.07745	1.9
291.19662	14.5
292.19928	1.1
293.21170	4.0
303.71255	0.4
305.08670	2.2
309.20703	85.1
310.21017	6.2
323.09961	1.1
325.20190	0.9
326.71503	0.5
376.79407	0.4
379.12292	2.7
397.13486	37.4
398.13742	2.6
415.14590	15.0
416.15045	1.6
607.25781	1.9
689.34180	1.3
707.34601	2.1
855.12286	0.5
899.45892	0.9
917.46307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21180	0.6
69.03448	2.3
71.01378	38.7
71.05009	0.8
72.01685	0.7
72.99287	2.4
73.02943	7.2
75.00850	0.8
78.95877	1.4
80.96482	0.8
81.03440	1.9
82.94527	0.8
83.01382	2.0
83.05032	2.2
85.02945	7.5
87.00871	5.6
89.02446	17.3
95.01382	2.2
95.05024	2.3
96.95979	1.7
97.02949	3.7
97.06571	1.0
98.19894	1.5
99.00848	2.3
99.04509	1.5
101.02433	16.5
107.01345	0.8
109.06580	4.7
111.00840	0.8
111.04517	1.0
111.08156	1.6
113.02436	9.3
119.03517	5.3
120.54816	0.7
121.02922	1.1
125.02438	6.2
125.09701	2.3
127.11296	2.3
128.90097	0.8
135.08107	0.8
139.03943	0.8
139.07658	2.0
141.01982	1.6
143.03513	3.5
151.11269	1.0
155.10745	1.8
161.04556	5.1
161.09657	0.7
163.11267	6.1
165.09166	1.1
165.12845	0.8
167.03427	0.8
167.10770	1.2
171.10263	32.4
172.10591	0.7
179.05627	5.0
179.10732	0.9
179.14468	0.8
181.12302	2.8
182.32245	0.7
183.10187	1.3
185.11789	2.3
189.09164	1.8
191.05531	1.5
195.13876	8.7
196.14513	0.8
197.11783	2.1
201.11311	26.4
202.11580	1.2
207.10245	16.0
208.10593	1.3
209.11826	18.2
210.12099	2.4
211.13326	1.2
215.12917	2.5
221.06653	2.3
223.13409	4.2
223.94011	0.7
225.11305	39.5
226.11598	1.5
227.12822	2.7
228.13544	0.9
235.08173	5.8
235.17082	1.4
243.12340	2.5
250.64613	0.8
253.09215	1.6
263.76184	1.0
275.20114	7.0
287.07755	2.0
291.19638	12.9
293.21207	100.0
294.21530	7.7
305.08597	1.7
309.20505	0.9
379.12360	3.2
391.54214	0.7
397.13449	35.5
398.13879	1.5
415.14508	14.7
439.14429	3.7
457.15918	1.6
487.33978	1.1
515.95221	0.8
569.24561	1.1
605.24683	3.5
623.25110	5.6
641.26825	0.9
691.35504	2.0
899.46271	7.5
900.46649	1.7
917.46533	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	917.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.5
69.78973	4.8
71.01378	34.5
72.01726	1.1
72.99299	2.4
73.02945	7.9
79.42836	0.9
80.02679	0.9
81.03456	1.9
83.01395	2.0
83.05023	4.5
84.02173	1.9
85.02946	9.1
87.00876	6.9
89.02449	19.2
93.03455	1.0
95.01382	3.3
95.05019	2.5
97.02929	5.7
97.06573	1.3
98.19853	1.0
99.00871	3.4
99.04490	1.0
101.02434	19.1
109.06580	4.5
110.03771	1.1
110.47769	0.7
111.04502	1.3
111.08151	3.0
113.02444	11.9
119.03506	5.1
125.02443	8.1
125.09712	2.9
127.11272	3.4
133.05032	0.9
135.08151	1.7
137.09651	1.2
139.04073	0.9
139.07619	1.6
141.01891	1.2
143.03522	4.0
149.09749	1.2
151.11258	1.8
153.09250	1.6
155.10794	3.1
161.04527	3.5
163.11275	8.3
165.09212	0.9
167.03473	1.1
167.10750	1.7
169.12300	1.2
171.10265	39.7
172.10576	1.4
179.05635	6.4
179.10764	1.5
181.12314	3.0
183.10156	1.1
185.11809	3.3
189.09123	2.6
195.13907	7.3
196.14531	1.1
197.11790	1.4
199.09644	1.2
201.11317	37.5
202.11630	1.3
207.10243	18.4
209.11803	33.6
210.12138	2.0
215.12862	3.7
221.06606	3.4
223.13359	6.2
225.11299	46.7
226.11681	2.0
227.12918	4.1
228.13620	1.1
235.08276	5.2
243.12276	4.0
249.03418	0.7
253.09308	3.2
256.13300	1.8
263.07672	0.9
264.11304	1.0
275.20111	6.1
287.07721	1.9
291.19669	15.1
292.20065	1.2
293.21210	100.0
294.21521	7.8
305.08826	1.7
316.06256	0.8
323.09769	1.8
333.21103	0.9
379.12375	3.3
397.13483	43.7
398.13712	3.2
415.14560	16.3
439.14731	2.3
457.15707	0.9
569.23230	1.0
605.23822	5.0
623.25513	10.5
624.25543	1.1
634.56683	0.9
641.26544	1.0
899.45850	5.8
900.46753	1.6
917.46924	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	917.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	1.5
68.84924	1.0
70.31975	4.3
71.01369	3.7
77.87232	1.2
85.02962	6.2
87.00890	6.8
88.98804	77.9
90.65997	1.1
93.03461	24.3
96.96014	1.6
101.02433	1.9
111.04486	2.6
113.02360	1.2
125.02437	2.1
133.02956	18.8
134.03706	2.1
135.04541	18.2
136.41687	1.1
137.02422	3.4
139.03987	1.2
151.03990	1.5
159.09114	1.2
161.02434	100.0
162.02765	2.8
173.04555	9.3
177.05515	1.3
178.02673	1.4
179.03508	12.2
191.05611	36.1
192.05943	1.7
195.06682	1.4
203.03427	2.1
235.02560	1.1
253.90443	1.2
308.08774	1.5
323.07678	52.1
324.07892	2.6
352.08005	2.4
353.08411	1.6
443.31415	1.4
447.09247	1.3
449.14554	15.0
450.14859	1.4
467.15381	7.3
485.32883	10.0
486.32980	2.4
503.33899	24.6
504.33932	3.9
584.23535	1.6
809.74823	1.6
827.42151	94.8
828.42517	21.1
899.30029	3.8
917.31543	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	917.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	57.8
73.02941	7.1
78.05618	3.7
78.95919	11.2
80.96523	7.8
83.05007	5.3
85.02946	8.5
87.00875	7.6
89.02452	34.7
93.03522	3.4
96.96015	8.2
97.02957	12.1
98.20760	6.3
99.00891	5.1
101.02448	34.1
109.06595	24.5
113.02445	21.5
119.03503	13.4
120.21127	3.3
125.02472	9.9
125.09750	4.2
143.03499	8.1
161.04596	5.1
163.11263	10.3
179.05640	11.7
181.12300	5.9
191.05632	8.4
205.12245	4.8
207.10236	86.3
208.10562	10.6
209.11812	12.7
223.13393	49.5
225.11292	42.6
226.11804	6.0
235.08151	10.8
255.23280	98.1
256.23584	19.1
277.21640	25.9
311.86026	4.2
338.10312	4.0
379.12402	11.9
397.13507	100.0
397.18503	7.6
398.13852	14.3
415.14514	22.2
603.25769	8.1
605.24756	7.1
621.27728	13.8
861.48511	33.8
862.49005	16.1
863.49084	25.1
881.48657	8.6
917.46722	23.2
918.47156	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	916.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46544	100.0
71.01389	22.2
78.95897	14.5
79.95710	21.1
80.96500	46.2
96.96009	34.8
203.59619	12.6
208.30386	17.1
224.74649	13.2
225.00888	17.1
265.14716	31.4
351.68079	15.6
439.62320	13.6
471.34689	25.1
917.48474	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.8
67.07121	0.4
67.30108	0.3
69.03436	0.6
71.01368	1.2
71.52895	0.6
71.53282	0.5
85.02950	9.0
87.00850	2.1
91.23094	0.4
93.03463	6.9
107.01407	0.6
108.02171	0.6
109.02953	1.8
111.04514	1.2
119.05046	1.9
125.02431	0.9
127.03989	1.9
133.02951	0.9
134.03709	1.4
135.04550	3.8
136.01639	0.8
136.98672	0.4
137.02463	3.0
143.03474	0.5
150.03188	0.4
151.00359	3.2
155.03459	0.7
159.04488	0.4
161.02435	3.1
163.03989	1.8
165.28481	0.3
169.01404	0.8
171.02980	0.5
172.05252	1.0
173.04582	3.9
173.05939	0.8
179.03514	1.4
187.07632	11.6
188.08029	0.8
191.05605	100.0
192.05933	3.4
192.11552	0.4
195.06648	0.5
199.03987	0.9
200.04657	0.5
213.09296	1.1
215.07132	1.5
219.02884	0.5
227.03484	2.1
228.04207	1.2
229.08554	0.5
231.10333	0.7
257.08179	12.5
258.08585	0.8
271.02466	0.4
275.09122	0.8
287.05615	1.9
293.10080	0.4
300.02710	0.9
300.99872	0.7
301.03122	0.9
302.03470	0.6
320.80505	0.4
337.09222	1.1
353.08749	0.5
389.19714	0.5
447.09109	0.9
448.09952	1.1
449.14655	28.5
450.14899	4.5
467.15518	7.5
468.15839	1.6
469.16342	0.8
487.12500	2.8
634.39526	0.4
831.30908	0.5
917.30890	2.5
918.31982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71172	1.1
69.03448	4.5
69.63625	1.2
71.01382	40.2
71.05005	1.6
71.60505	1.1
72.99297	4.6
73.02944	5.2
80.02680	3.6
81.03442	6.5
83.01379	5.6
83.05022	9.8
85.02938	13.4
87.00862	9.6
89.02443	32.1
93.03447	3.7
95.01386	4.2
95.05045	3.3
97.02941	12.9
97.06572	3.6
99.00887	4.4
101.02438	26.4
106.04269	1.8
109.02937	1.8
109.06596	32.9
110.03733	1.8
111.00935	1.5
111.04558	1.7
111.08151	8.8
113.02445	15.1
115.03970	1.4
119.03462	6.4
121.06591	2.2
123.00998	1.6
123.04549	2.9
125.02438	9.7
125.09711	3.9
127.07655	1.7
131.03490	1.7
135.08160	5.5
136.05322	2.1
141.01923	2.7
142.02707	3.6
143.03448	4.1
151.11212	2.6
160.82169	1.5
161.04539	5.6
161.09689	2.5
163.11298	26.2
165.12845	3.7
167.36771	1.1
169.12323	3.7
169.21004	1.3
171.10265	2.1
179.05539	8.6
179.10820	1.9
180.40039	1.3
181.12366	7.3
183.13940	1.9
185.11868	1.6
189.09270	2.1
191.05595	15.4
191.14413	1.4
197.11819	53.5
198.12202	1.4
199.03929	1.6
199.13341	2.4
207.10248	97.6
208.10674	6.9
209.11813	100.0
210.12094	8.0
211.13382	9.4
221.06613	3.4
225.11314	45.9
225.13553	1.8
226.11639	2.1
227.03526	2.6
227.12845	15.6
235.08179	6.7
245.19197	5.9
245.38083	1.2
253.09192	2.3
263.07602	1.8
263.20105	7.4
283.13248	2.9
289.18088	24.6
290.18332	2.4
291.19672	13.9
292.19876	1.6
293.21313	3.0
305.08762	2.8
307.19138	29.7
308.19623	1.6
309.20685	89.7
310.21127	6.8
379.12570	3.6
397.13495	58.0
398.13800	5.3
415.14572	28.8
416.14874	1.8
499.30676	1.9
537.25275	12.1
537.75287	5.5
605.25061	6.7
607.25842	3.5
623.25366	8.5
707.34845	2.9
883.45746	2.8
897.44550	4.2
915.45959	58.3
916.46503	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	915.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45257	1.0
66.94604	1.2
69.03451	4.0
69.96011	3.3
69.96404	2.9
71.01011	2.0
71.01383	35.2
71.05009	1.3
72.01697	1.4
72.99300	3.7
73.02939	5.0
75.00874	1.5
78.95899	1.3
80.02655	2.9
81.03444	6.5
83.01393	3.7
83.05020	10.0
84.02174	2.1
85.02959	10.2
87.00851	8.1
89.02441	29.0
93.03447	1.2
95.01362	3.2
95.01952	1.1
95.05032	1.9
96.96064	2.7
97.02954	15.5
97.06577	2.1
98.19865	1.2
99.00871	3.3
101.02445	25.4
107.05013	2.5
109.06587	34.4
110.03745	1.7
110.06980	1.5
111.00861	2.2
111.08141	11.2
113.02439	16.4
119.03494	5.5
121.06544	2.7
123.04538	3.5
125.02456	8.2
125.09714	3.1
129.39026	1.4
131.03497	1.6
135.08144	6.2
136.05327	1.5
137.09779	1.5
141.01910	1.7
142.02699	2.7
143.03520	4.1
159.08124	1.3
161.04564	6.3
161.09726	3.0
163.11296	27.5
165.12865	3.0
169.12305	5.8
171.10211	1.9
179.05609	9.2
179.10762	3.0
181.12300	6.5
185.11792	3.4
189.09196	1.3
191.05550	2.2
191.10719	1.5
191.14528	1.8
197.11818	57.6
198.12187	3.0
199.13428	2.6
207.10252	100.0
208.10571	4.6
209.11807	87.6
210.12195	4.2
211.13409	9.5
217.07166	1.7
221.06648	4.8
223.09703	1.9
225.11316	45.9
226.11687	3.2
227.12846	10.4
235.08249	9.2
243.12392	1.9
245.19078	3.5
253.09288	2.7
263.07727	1.5
263.20157	2.8
265.17996	1.5
287.07819	1.7
289.18121	19.1
290.18286	1.4
291.19662	15.1
292.20013	1.3
293.21246	2.2
298.13956	1.2
299.15051	1.5
305.08804	4.1
307.19128	23.9
309.20700	75.2
310.20969	6.2
323.09439	1.6
379.12378	4.6
397.13474	59.7
398.13687	4.2
415.14557	23.9
440.12878	1.2
499.30447	1.4
545.59937	1.3
605.24670	5.9
623.25647	8.1
707.35419	1.7
747.42761	1.4
799.37531	1.7
897.44653	3.7
915.46027	61.8
916.46399	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	915.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36326	0.3
65.00323	0.5
71.54305	0.4
73.98221	0.4
77.47535	0.4
82.79630	0.4
83.01372	0.5
85.02946	1.7
87.00882	0.6
93.03481	2.3
93.03995	0.5
107.01395	0.9
109.02964	0.7
110.12567	0.4
121.02961	0.5
135.04501	1.3
137.02409	0.5
149.99501	0.4
151.00351	4.7
152.00755	0.5
154.93109	0.4
155.03409	0.5
163.00394	1.7
173.04514	1.1
177.09143	0.5
178.99852	3.3
182.78970	0.4
187.07643	1.2
188.07907	0.6
191.05602	20.9
192.05930	4.6
193.06046	2.5
199.03880	0.6
211.03929	0.5
215.03398	0.4
221.66035	0.4
226.02734	3.2
227.03407	1.9
228.04094	0.4
233.11726	0.4
243.00485	0.4
243.02983	9.1
244.03340	0.9
247.26759	0.4
254.02187	3.9
255.02997	4.8
256.03284	2.1
257.03409	0.5
257.08209	1.2
258.08569	1.1
271.02451	38.9
272.02890	6.5
273.03064	1.5
275.09311	0.9
277.10773	1.4
300.02728	52.8
301.03311	18.4
302.03540	6.4
303.04041	1.4
306.35425	0.4
343.04471	1.0
449.14505	1.0
450.14670	1.7
451.09644	0.7
451.15717	3.7
463.08786	100.0
464.09106	19.5
464.15784	0.6
465.09381	9.4
466.09375	0.7
481.17181	0.5
528.61646	0.4
747.37402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	2.0
68.99816	2.4
69.03444	3.1
71.01376	27.0
71.05026	0.9
72.99303	3.8
73.02930	5.4
75.00864	1.6
78.95891	1.6
81.03455	1.6
83.01386	4.1
83.05010	4.0
85.02956	8.2
87.00879	7.0
88.87746	1.1
89.02437	17.2
93.03466	2.1
94.47666	0.9
95.01390	3.2
95.05013	1.6
96.95988	1.4
97.02956	6.9
97.06599	1.9
98.19855	1.9
99.00915	1.7
99.04555	1.1
101.02437	15.9
107.05027	1.2
109.02940	1.9
109.06591	1.7
110.03745	5.4
111.00874	1.9
111.03825	1.6
111.04524	18.3
111.08190	1.8
113.02444	10.1
119.03503	4.6
122.03696	1.1
123.04511	3.7
123.08142	2.7
125.02454	7.3
125.06090	2.1
125.09692	5.7
127.11295	1.1
135.08197	1.3
137.09778	1.1
139.03964	1.7
141.01988	1.4
143.03485	2.5
151.11261	3.7
153.09216	2.4
161.04544	3.6
161.09685	9.7
162.10149	1.0
167.10762	1.3
169.01411	1.6
169.12296	1.1
171.08804	1.8
171.10263	32.3
172.10490	1.1
177.09190	3.8
179.05594	5.5
179.10762	15.0
185.11850	2.8
187.09727	1.9
191.05620	4.3
195.10345	2.0
195.13878	7.2
197.11783	7.1
199.09671	1.6
201.11281	1.4
205.08714	12.6
207.10277	1.9
209.11803	2.3
213.11269	4.0
221.06638	4.1
223.09758	55.9
223.13092	8.9
224.10001	3.0
225.11237	2.6
235.08228	5.0
239.12994	1.5
241.10789	5.0
253.09178	2.0
275.20218	7.0
277.21518	1.1
287.07703	1.6
291.19513	1.0
293.21210	100.0
294.21490	8.7
309.20761	2.7
310.20929	2.0
379.12372	2.4
397.13474	33.0
398.13785	4.1
415.14459	14.1
425.17407	1.1
569.24445	3.0
603.22980	5.9
604.23285	1.9
620.85577	1.2
621.23987	12.1
622.24902	1.5
649.63336	1.1
691.35468	2.4
737.41125	1.2
871.43854	2.6
872.40521	1.2
879.44171	1.2
897.44928	21.6
898.45612	5.0
915.45929	16.3
916.46497	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	915.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03979	0.5
67.01890	13.4
68.57816	0.4
69.03456	4.5
71.01373	5.0
71.53709	0.4
71.54106	0.6
79.95733	1.8
80.47896	0.5
80.96501	2.0
81.03450	2.8
83.05018	2.6
85.02948	2.0
87.00872	18.7
93.03455	100.0
94.03796	2.4
96.96001	3.5
99.00880	1.8
99.04517	1.8
101.02419	1.3
107.01409	0.4
108.67434	0.4
109.02952	1.4
111.04515	13.4
113.02438	1.9
115.04005	1.2
120.99641	0.6
125.02427	1.0
127.04015	0.7
129.01945	2.4
133.02956	1.5
134.03741	9.8
135.04546	5.2
137.02443	2.4
141.68512	0.5
143.03540	1.0
150.03195	0.6
151.00339	0.5
151.04037	0.5
155.03485	3.4
161.05971	0.5
169.01411	1.0
173.04539	41.1
174.04962	1.1
177.01904	1.2
178.02708	4.4
179.03468	3.1
191.05586	7.7
191.07182	0.7
192.05919	0.7
209.11853	2.3
209.46516	0.5
255.02870	0.6
271.02478	1.1
275.09210	1.1
293.10217	1.7
300.02808	2.3
301.03421	1.8
305.30032	0.5
351.07071	0.7
352.08029	0.8
425.14432	0.6
447.09399	4.0
448.08850	0.6
449.14502	46.4
450.14999	4.5
467.15543	97.9
468.15903	9.8
468.22382	0.6
679.11383	0.5
709.23865	0.5
723.68884	0.5
777.68079	0.5
832.10663	0.5
915.34753	4.7
916.35101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	2.1
69.03437	0.5
69.21584	5.2
71.01369	1.0
72.86004	0.5
72.99302	1.3
81.03465	0.6
83.01398	0.9
83.04993	0.7
84.86111	0.5
85.02949	2.8
87.00890	3.6
93.03457	18.6
94.03791	0.6
107.01390	2.6
108.02177	1.6
109.02946	5.5
111.04496	3.0
121.02925	1.8
127.03996	0.8
133.02939	2.2
134.03735	9.3
135.04550	2.6
136.01642	2.4
137.02438	8.4
148.01620	1.1
151.00357	10.5
151.03987	2.8
154.02748	1.0
155.03459	1.2
161.01299	0.5
161.02419	3.3
163.00359	3.0
164.01215	0.5
171.03052	1.0
173.03127	1.0
173.04533	14.2
174.04927	0.5
177.01906	0.7
178.02682	1.6
178.99866	5.5
179.03395	0.8
185.06094	0.6
189.04066	0.6
191.05598	30.0
192.05881	1.6
211.03888	1.0
226.02869	0.7
227.03522	1.2
228.03902	0.7
229.05107	0.7
231.10182	3.5
232.05905	0.6
233.06667	1.0
233.93954	0.5
243.02898	3.7
245.04463	1.6
254.02267	1.0
255.02957	15.1
257.08212	1.3
271.02457	29.2
272.02850	2.7
273.04050	1.2
275.09164	1.1
277.11035	0.6
283.02539	1.9
293.10379	4.2
293.76379	0.6
299.01895	0.7
300.02728	58.7
301.03458	45.9
302.03806	2.8
370.09000	1.8
381.49091	0.5
408.64340	0.5
423.98349	0.6
447.09286	100.0
448.09671	11.0
449.14566	2.4
465.67310	0.6
467.15555	60.4
468.15909	6.3
520.15405	0.6
600.53754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12268	8.5
67.85843	8.8
69.20997	39.9
69.21427	56.0
71.01392	31.6
78.95924	13.5
85.02943	12.2
93.03442	22.3
96.04376	10.5
98.20628	17.9
101.02441	8.7
119.05030	10.7
123.21059	9.6
135.04489	20.3
148.74736	9.4
160.76541	9.2
169.01454	10.6
191.05602	100.0
193.88837	10.2
207.10132	17.3
209.11810	57.8
392.18799	11.7
397.13651	18.6
470.80487	9.8
884.12054	13.4
945.28613	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	915.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00359	0.7
67.01883	3.0
71.01377	0.9
71.53230	1.2
85.02963	3.9
87.00874	3.9
93.03457	23.7
93.99638	0.6
94.03770	0.9
107.01370	2.1
108.02158	1.5
109.02937	7.0
111.04501	3.3
118.85383	0.7
121.02947	2.1
127.03988	1.2
129.01930	0.7
133.03029	1.0
134.03732	4.7
135.00903	0.9
135.04565	0.8
136.01689	3.4
137.02457	8.8
147.04529	1.3
151.00365	9.9
151.04021	2.8
154.02747	0.8
155.03529	1.0
163.00339	2.2
171.03026	0.9
173.04550	15.4
177.01860	1.0
178.02713	0.9
178.99884	4.7
191.05609	42.1
192.05995	1.4
199.03847	0.9
211.04083	0.9
227.03532	1.6
231.10152	1.0
233.06676	1.5
243.02969	5.8
245.04517	2.0
254.02251	0.9
255.02963	13.9
256.03265	1.0
257.08176	1.0
271.02478	26.6
272.02905	1.9
273.04019	1.4
283.02560	1.9
293.10248	3.3
300.02747	53.8
301.03503	43.0
302.03915	1.8
342.38327	0.7
358.70947	0.8
370.08914	2.3
408.76260	0.7
447.09299	100.0
448.09634	11.3
449.14557	2.0
467.15784	60.4
468.16150	7.4
635.18469	0.8
868.55884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	100.0
72.99294	3.2
73.02929	4.5
75.00833	3.1
78.95911	4.1
80.96494	5.8
85.02934	8.6
87.00856	5.4
88.98789	11.0
89.02419	18.4
95.01385	3.7
97.02918	10.3
99.00871	8.8
101.02437	20.4
105.49157	4.0
109.06599	16.0
113.02435	11.0
116.92832	12.1
118.45009	3.3
119.03484	4.3
125.02412	6.5
125.09706	3.5
143.03493	4.8
163.11292	16.8
164.11694	3.2
171.10236	11.6
179.05461	4.7
181.12282	6.5
188.30219	2.8
201.11284	5.9
207.10240	68.2
208.10573	4.1
225.11292	33.3
235.08153	6.2
243.12419	5.2
255.23265	90.6
256.23633	5.9
379.12387	4.4
397.13370	39.1
398.13977	4.4
415.14560	9.3
455.35056	5.2
605.24377	7.4
623.25708	5.2
647.32556	4.0
738.23492	3.4
749.23505	3.5
818.91229	3.8
861.48553	29.6
862.49237	15.3
879.49139	6.3
911.51746	25.4
912.52344	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	913.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30888	1.4
69.03446	4.5
70.93466	2.5
71.01382	23.7
72.99300	2.6
73.02951	4.3
81.03462	1.9
83.01383	3.1
84.02179	1.6
85.02952	5.4
87.00858	6.1
89.02448	20.9
95.01391	2.1
96.96001	1.2
97.02940	4.9
99.00957	1.5
101.02431	15.2
104.27786	1.1
109.06602	2.9
109.20712	1.2
111.04548	1.6
111.08145	9.5
113.02459	10.6
119.03491	5.6
121.36932	1.1
123.53739	1.3
125.02448	8.5
125.09711	1.4
131.03488	1.3
136.97162	1.2
143.03490	1.8
153.12682	1.7
161.04538	3.0
163.11284	1.7
167.10739	3.2
167.68636	1.3
169.12320	4.0
179.05673	6.4
179.10873	1.4
179.14389	3.8
191.05501	2.9
195.13913	15.0
197.11815	55.4
198.12173	2.4
199.13387	2.6
205.12285	11.0
207.10323	1.6
209.11871	2.6
211.13503	6.5
221.06706	2.0
223.13385	89.1
224.13733	4.9
225.14865	1.5
227.12923	2.1
235.08170	4.4
239.12839	1.4
255.23399	2.7
263.20273	2.7
272.23196	1.6
289.51917	1.5
291.19632	20.7
293.21219	3.0
305.08868	2.3
309.20679	100.0
310.21021	7.4
379.12439	3.5
397.13467	54.3
398.13818	3.6
415.14603	17.9
416.14813	1.6
520.68488	1.4
567.38361	1.6
603.26636	2.7
621.27502	12.5
622.27991	2.3
707.34967	4.1
804.37860	1.6
848.27545	1.6
913.46912	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	911.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	2.8
67.37758	0.8
70.41867	0.9
71.01373	1.7
71.53217	1.4
72.99328	1.1
83.01382	2.4
83.51191	0.8
85.02914	0.9
91.01903	1.0
93.03452	2.1
107.01382	7.6
109.02940	3.6
113.02448	1.7
121.02937	7.6
125.02418	1.5
135.00940	0.9
149.02467	1.8
151.00363	31.4
151.01582	1.7
163.00389	4.6
164.01059	0.8
169.01462	2.0
175.02473	0.9
178.99861	13.9
180.83304	0.8
191.05685	4.1
193.01300	1.0
211.03951	2.4
216.30695	0.8
220.65765	1.0
227.03621	1.6
229.04985	1.4
245.04489	3.2
255.02811	4.2
273.03934	2.8
283.02396	1.6
300.02679	1.0
301.03510	100.0
302.03870	6.7
477.06732	71.2
477.12247	0.9
478.07062	6.9
548.22137	0.9
791.76776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.4
67.01888	10.0
68.29087	0.4
69.03455	3.3
69.17615	0.7
69.18016	3.8
71.01382	3.4
71.25050	0.4
81.03439	2.2
83.05027	1.8
85.02946	3.5
87.00330	0.8
87.00871	14.5
87.17978	0.4
93.03452	76.3
94.03770	2.0
96.95998	0.4
97.02948	0.7
99.00872	1.6
99.04498	1.5
105.03497	0.9
108.02155	0.6
109.02960	1.2
111.04514	10.5
113.02435	1.3
114.29787	0.4
115.04034	0.7
116.85609	0.3
117.03442	0.5
121.02917	0.7
123.04520	0.4
124.01645	0.6
125.02428	0.4
127.03994	1.0
129.01936	1.5
131.96428	0.4
132.02180	1.3
133.02943	3.3
134.03740	6.4
135.04526	11.6
137.02448	1.1
143.03455	0.5
144.09270	0.4
150.03210	0.7
151.03987	1.4
155.03453	2.6
157.68115	0.4
160.01660	3.7
161.02344	0.8
162.03214	1.4
171.03041	0.4
173.04533	34.0
174.04883	1.0
177.01848	0.7
178.02676	0.6
179.03462	2.1
187.07629	0.4
191.05597	45.6
192.04254	0.3
192.05949	1.5
219.36237	0.4
231.10225	3.2
257.08200	2.8
275.09213	6.7
275.55078	0.4
300.99783	0.6
307.08109	0.6
308.08865	1.1
351.07278	2.4
352.08109	2.6
353.07999	0.5
431.12854	0.4
449.14499	100.0
450.14853	11.5
460.47482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	2.4
68.71581	0.5
68.99811	0.8
69.03447	3.5
69.31403	4.1
69.31808	1.1
71.01382	2.3
72.69747	0.6
79.01896	2.1
81.03472	1.4
83.01387	1.2
85.02930	2.8
87.00877	1.2
93.03451	14.6
95.01381	9.6
97.02950	3.7
101.02467	0.7
105.03416	0.8
107.01396	6.0
109.02934	0.7
109.93580	0.5
111.00890	3.0
113.02464	1.5
113.82470	0.5
117.03472	0.5
123.00882	26.2
124.01741	2.7
125.02444	97.4
126.02773	2.9
127.04069	0.9
131.05045	1.4
133.02946	0.5
135.04521	1.0
136.01688	0.6
136.98805	1.1
137.02441	25.0
138.02835	0.9
139.00354	6.9
140.01183	3.0
141.01889	1.6
145.02928	1.6
146.03731	0.7
149.02432	1.6
150.03148	0.7
151.00354	1.7
153.01901	1.1
154.99858	0.5
159.04488	2.2
161.02412	3.4
163.04033	1.3
165.01898	0.7
166.99838	10.0
168.00639	6.6
169.01414	100.0
170.01712	3.2
173.02440	0.7
173.04521	1.1
175.03975	1.2
177.01941	1.5
177.05647	0.6
179.03523	1.5
180.04265	0.5
187.04050	3.0
189.01913	0.8
190.02632	1.2
191.03719	1.4
191.05594	17.6
193.01469	3.0
203.03458	1.1
205.01439	4.5
205.04979	1.8
207.02982	0.8
211.02519	0.8
215.03490	1.9
221.00885	0.9
221.04514	0.7
231.03001	0.8
233.04536	2.1
235.02405	0.7
259.02527	1.8
277.03549	1.5
295.04712	0.9
311.99097	0.7
321.02417	0.7
327.01505	1.1
331.17664	1.1
345.01434	0.7
397.05713	1.0
415.06790	5.0
433.07690	4.1
467.15924	0.8
567.07727	3.1
568.08069	1.6
569.09229	1.4
585.08765	11.0
586.09076	1.4
603.11060	0.6
693.10535	0.9
737.09912	53.0
738.10187	9.1
755.11383	5.4
756.11218	1.4
889.29279	1.9
907.11847	11.8
907.30444	3.1
908.12640	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	909.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29874	0.2
71.01379	0.3
71.54166	0.3
78.95904	0.5
79.95734	3.6
80.90683	0.2
88.98792	0.5
94.98069	0.2
96.96007	100.0
107.81773	0.2
123.99055	0.2
132.39120	0.2
133.02962	1.7
135.04501	0.8
161.02423	7.8
169.01489	0.2
179.03496	1.3
191.05554	0.5
209.11775	0.4
323.07675	4.0
487.34253	3.6
488.34760	0.5
811.42639	6.3
812.42932	1.3
822.30237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.272
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02377	0.3
65.00294	0.5
71.01376	1.5
74.32184	0.3
85.02949	0.5
85.35111	0.3
89.02438	1.3
93.03439	0.3
98.19830	0.6
101.02439	0.7
107.01376	1.6
108.02170	0.8
109.02950	1.2
119.03483	0.6
121.02959	0.8
125.02470	0.5
135.00916	0.5
135.04504	0.6
137.34804	0.3
148.01657	0.8
151.00363	7.0
159.27461	0.3
161.02402	0.9
163.00349	1.6
169.01347	0.4
175.03955	0.5
178.99847	4.0
191.05682	2.0
199.03932	0.4
203.03438	0.4
211.03923	0.4
215.03641	0.3
226.02713	0.6
227.03459	1.6
229.05316	0.6
239.03479	0.4
243.02959	4.9
244.03580	0.3
245.04517	0.5
254.02223	1.0
255.00214	0.4
255.02960	13.9
256.03262	1.0
271.02451	29.4
272.02899	2.6
273.03772	0.7
283.02383	0.8
299.01917	0.5
300.02722	65.5
301.03436	32.1
302.03799	2.5
322.95926	0.3
330.13187	0.7
331.13940	0.7
441.17776	7.4
463.08777	100.0
464.08997	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	907.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	2.2
68.99809	0.7
69.03455	3.2
69.24986	1.4
69.25402	4.4
71.01390	2.9
78.51933	0.5
79.01881	2.7
79.54411	0.5
83.01402	0.9
85.02949	3.5
87.00867	1.0
93.03455	15.7
93.04031	1.0
94.37189	0.5
95.01389	10.3
96.96075	0.5
97.02960	4.0
101.02446	1.1
101.22569	0.6
107.01411	4.1
108.02190	0.6
109.02930	1.4
111.00889	2.9
113.02448	1.7
119.04977	0.9
123.00887	24.5
124.01627	2.1
125.02444	94.8
126.02798	2.4
127.04098	0.6
133.03006	0.7
135.04529	1.9
136.01620	0.7
136.98824	1.3
137.02443	24.3
138.02867	0.7
139.00372	5.5
140.01202	3.9
141.01944	1.3
145.02998	1.1
147.04573	1.1
149.02411	1.0
151.00407	1.9
151.03931	1.0
153.01929	0.9
153.64035	0.5
159.04475	1.6
161.02417	3.0
163.03990	1.0
165.01894	0.9
166.99860	10.1
168.00629	6.4
169.01416	100.0
170.01768	3.2
170.43141	0.6
173.02419	1.4
173.04546	0.9
175.00327	0.5
175.04036	1.4
177.01868	2.0
179.03481	1.7
187.03984	3.0
189.05721	0.6
190.02695	0.9
191.03581	2.0
191.05588	18.5
193.01434	1.8
203.03546	0.9
205.01382	4.8
205.05020	1.4
209.04425	0.8
215.03458	2.1
221.00868	0.7
233.04556	1.9
235.02525	0.6
259.02457	1.2
277.03360	1.0
295.04370	1.1
321.02689	1.0
327.01364	1.2
397.05597	1.3
399.07214	0.8
402.71048	0.6
415.06732	3.9
419.36127	0.6
433.07669	4.1
448.50253	0.7
567.07617	3.5
569.09290	1.9
585.08813	10.8
586.08826	1.0
604.09625	0.6
693.11084	0.7
737.09912	52.3
738.10089	9.0
755.11084	6.0
756.11072	1.0
792.43976	0.7
889.30103	1.0
907.12531	10.9
907.30609	2.0
908.12012	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	902.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98528	9.4
70.93846	16.3
71.01383	39.6
72.99300	5.8
73.02969	7.3
78.95921	9.4
79.26157	6.5
80.96519	9.2
85.02966	10.0
87.00885	10.0
89.02416	27.7
97.02949	10.5
101.02447	23.4
110.52525	5.6
113.02462	16.3
114.93382	7.2
116.92870	48.0
119.03439	6.6
121.02932	7.6
125.02433	15.9
143.03452	6.3
161.04608	5.8
161.33891	5.6
171.10262	100.0
172.10571	17.3
179.05699	6.6
191.05597	16.4
194.15248	5.6
201.11302	33.8
207.10272	11.2
209.11868	34.6
225.11317	36.1
226.11649	11.3
235.08011	7.1
243.12303	8.4
277.21719	69.4
278.22037	34.2
305.08844	5.6
322.82477	7.2
379.12396	18.2
397.13544	50.2
398.13806	24.8
606.25751	6.1
658.34717	7.3
902.47510	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	903.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
67.22328	1.5
71.01011	2.1
71.01384	25.1
71.53101	2.4
72.99306	2.7
73.02939	3.0
78.57753	1.4
78.95954	2.1
80.96518	3.9
81.03483	1.8
81.55580	1.6
83.05026	4.8
85.02950	6.1
87.00864	6.6
89.02448	18.1
95.01373	3.1
95.05008	1.6
97.02935	2.9
99.00896	2.3
99.92587	7.0
101.02440	16.9
113.02482	7.3
116.92861	65.6
117.01975	1.8
117.92867	3.9
119.03512	5.4
121.02956	2.3
125.02421	7.0
125.09743	4.1
127.11311	4.1
139.79070	1.5
143.03488	2.8
161.04526	3.8
163.11264	4.6
165.09251	2.3
171.10274	6.8
179.05580	5.7
191.05592	4.4
197.11935	2.1
201.11310	79.9
202.11565	2.2
207.10301	1.9
209.11812	100.0
210.12102	7.8
221.06749	1.7
225.11316	3.0
226.11823	1.9
227.12923	11.6
235.08202	4.0
263.07620	2.3
274.91800	1.7
277.21722	71.0
278.21973	8.4
279.22385	1.8
285.12369	1.8
287.07800	2.9
287.39923	1.7
301.24185	1.7
305.08878	2.7
308.88779	1.5
358.74066	1.5
379.12375	10.2
380.12482	2.8
397.13464	55.2
398.13800	4.7
415.14557	15.6
564.10339	1.7
581.24103	3.7
599.25238	1.8
607.25726	2.5
675.36035	3.1
698.74609	1.7
787.43396	1.7
829.50677	2.1
896.94037	2.0
903.48773	9.3
923.77881	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	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.8
69.03458	0.7
70.24388	0.4
71.01379	100.0
71.53703	0.5
72.01717	1.3
72.99297	1.0
73.02934	3.3
75.00883	0.5
78.95912	0.9
79.95722	0.8
80.91668	0.9
80.96520	1.4
81.03461	1.2
83.01391	1.4
83.05044	0.6
85.02939	3.8
87.00872	2.6
89.02439	9.1
93.03493	0.9
94.98115	0.4
95.01396	1.6
95.05013	0.8
96.96007	0.6
97.02957	3.0
99.00889	1.8
101.02439	8.5
109.06584	3.4
113.02437	4.9
114.02863	0.4
116.92844	0.7
119.03510	2.5
125.02438	3.8
125.09733	1.2
127.07603	0.4
127.11308	1.2
135.08142	0.7
136.97083	0.4
139.07661	0.6
141.01947	0.6
143.03517	1.7
155.10800	0.7
161.04559	2.1
163.11263	3.0
165.09192	0.5
167.10753	0.7
171.10262	15.5
172.10571	0.7
179.05611	1.6
179.10747	0.5
181.12416	1.9
185.11809	1.4
189.09262	0.6
191.05589	0.9
197.11819	0.8
199.09712	1.0
199.13571	0.5
201.11330	13.2
202.11685	0.5
207.10237	12.6
208.10608	0.9
209.11870	1.2
215.12962	1.1
221.06682	1.5
225.11292	16.5
226.11684	1.0
235.08247	3.3
243.12399	2.0
253.09372	0.8
263.07675	0.6
277.21692	30.8
278.22034	3.3
287.07751	1.0
291.23499	0.6
293.21204	1.0
305.08688	0.9
379.12457	2.9
383.15604	0.4
397.13480	20.6
398.13974	0.9
415.14490	4.6
415.19928	0.6
426.03525	0.5
439.14682	1.6
457.15207	0.5
551.23022	0.5
605.24695	1.8
623.25757	1.5
751.72449	0.5
883.46899	4.1
884.48242	1.7
901.47546	6.3
902.48041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	0.8
69.03453	0.5
71.01380	100.0
71.52445	0.4
72.01717	1.4
72.99313	1.0
73.02938	3.7
78.95911	0.9
79.95734	1.0
80.96516	1.2
81.03457	1.1
83.01399	1.1
83.05029	0.5
85.02940	4.1
87.00861	3.0
89.02442	7.6
95.01374	1.3
95.05012	1.0
96.96017	1.1
97.02946	3.1
99.00877	1.2
101.02444	6.9
108.10591	0.4
109.02988	0.4
109.06589	4.0
110.03768	0.7
111.04555	1.1
113.02442	4.6
116.92878	1.1
119.03519	2.3
123.08174	0.5
125.02453	3.9
125.09724	1.7
127.11304	1.7
131.03491	0.4
132.58760	0.4
135.08150	0.6
139.07675	1.1
141.01892	0.6
142.02675	0.5
143.03485	1.7
147.31631	0.4
149.09682	0.5
151.11285	0.7
155.10820	0.6
161.04558	2.2
161.09668	0.6
163.11293	2.9
165.09203	1.0
167.10709	0.6
171.10266	20.2
172.10632	1.2
179.05614	3.2
179.10727	0.5
181.12387	2.0
184.64439	0.4
185.11876	0.9
189.09285	0.7
191.05551	0.5
197.11818	1.5
199.13409	0.7
201.11313	15.5
202.11604	0.6
207.10249	13.1
209.11899	1.0
213.72806	0.4
215.12820	1.9
221.06680	1.6
225.11311	19.3
226.11613	1.4
235.08195	2.9
243.12332	3.0
253.09277	0.8
259.73465	0.4
265.14902	0.5
277.21707	24.8
278.22028	2.6
287.07980	0.7
293.21069	0.6
305.08768	0.6
379.12442	3.1
397.13458	14.7
398.14066	0.8
415.14545	4.9
439.14435	1.2
499.84686	0.4
506.47888	0.4
605.24475	2.1
623.25006	3.6
624.26416	0.6
839.89215	0.4
883.46729	4.0
884.47937	1.2
901.47015	5.3
902.47839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99545	0.3
69.03448	0.9
70.28325	1.1
71.01379	13.4
72.99302	1.3
73.02959	2.0
75.00896	0.4
78.95898	0.3
80.02666	1.1
81.03444	1.9
83.01382	1.5
83.05023	6.5
84.02159	1.2
84.05349	0.3
85.02950	3.1
87.00877	3.3
89.02442	12.0
91.04007	0.3
93.03422	0.4
95.01389	1.0
95.05017	0.9
96.96006	1.2
96.96995	0.3
97.02952	2.1
97.06596	0.3
99.00892	0.6
101.02438	9.3
102.02789	0.3
109.02975	0.3
109.06570	0.4
111.00935	0.4
111.04475	0.3
111.08167	0.4
113.02445	6.1
119.03511	3.2
124.01635	0.3
125.02446	4.6
125.06081	0.7
131.03522	0.8
133.05099	0.4
135.08162	0.8
137.09782	0.3
139.03970	0.7
141.01958	0.5
143.03491	1.8
149.04556	0.3
160.17879	0.3
161.04549	2.9
163.11273	4.8
165.12836	3.0
179.05603	3.3
179.14404	0.4
181.12315	0.8
183.13933	0.5
191.10742	1.0
195.13887	6.2
196.14348	0.7
199.06044	0.4
205.12265	0.4
209.11812	100.0
210.10304	0.5
210.12157	5.6
211.13373	1.0
217.07123	0.6
221.06656	1.1
223.13382	5.1
224.14090	0.4
227.12871	10.9
228.13345	1.1
235.08232	4.0
235.17004	0.8
239.58482	0.3
251.12605	0.3
253.09309	1.1
256.13150	1.2
259.08249	0.5
263.07639	0.5
265.21683	0.4
272.38071	0.3
275.20148	4.4
276.20505	0.6
287.07648	1.4
293.21213	94.5
294.21545	8.1
305.08685	1.6
309.20587	0.5
317.21048	0.4
323.09842	1.0
361.11340	0.4
379.12393	3.3
389.28275	0.3
397.13474	37.9
398.13950	2.4
415.14575	12.8
415.18866	0.2
416.14825	0.9
554.97406	0.3
589.25238	0.5
607.25806	2.3
608.25854	0.4
624.43188	0.3
673.35101	0.4
674.34595	0.3
691.35504	0.7
901.48517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97079	0.2
68.99579	0.6
69.03450	1.0
71.01379	15.2
71.05016	0.4
72.01701	0.3
72.99298	1.3
73.02940	2.1
75.00872	0.4
76.52220	0.2
80.02663	1.1
81.03455	1.5
82.49956	0.2
83.01382	1.9
83.05023	5.2
84.02152	0.6
85.02954	3.3
87.00887	3.1
87.04541	0.3
89.02442	11.6
89.44128	0.2
93.03470	0.4
95.01378	1.1
95.05017	1.0
96.96008	1.6
96.96959	0.3
97.02951	2.3
97.06569	0.4
98.19870	0.6
99.00869	0.8
99.04459	0.3
101.02442	8.8
109.06617	0.3
111.00806	0.3
111.04489	0.3
111.08121	0.6
112.98566	0.6
113.02452	6.1
113.09684	0.3
113.55942	0.3
116.92891	0.3
119.03516	3.2
121.10197	0.3
125.02446	4.7
125.06092	0.3
126.02743	0.3
131.03510	0.6
133.05075	0.3
135.08130	0.7
139.00252	0.2
139.04008	0.6
141.01933	0.4
143.03519	2.2
147.11816	0.4
149.04488	0.3
161.04544	3.2
163.11287	3.7
164.11600	0.3
165.12828	2.3
167.10716	0.4
171.10234	1.1
179.05603	3.5
179.10750	0.3
179.14391	0.8
179.57805	0.2
180.77583	0.2
181.12317	0.9
183.13866	0.4
191.10762	1.3
195.13902	7.3
196.14542	0.5
197.11801	0.4
197.15147	0.4
205.12309	0.7
205.15862	0.4
209.11815	91.0
210.12148	5.3
211.13367	1.1
221.06619	0.9
223.13387	5.3
224.13741	0.5
225.11482	0.2
227.12872	11.6
228.13448	1.0
229.28500	0.3
231.21245	0.3
235.08189	3.7
236.08690	0.3
251.12878	0.4
253.09254	1.4
256.13141	1.1
263.07715	0.4
265.21799	0.3
275.20151	5.9
276.20395	0.5
287.07693	1.5
291.19650	0.4
293.21210	100.0
294.21555	8.9
294.77887	0.3
305.08749	1.6
317.21140	0.4
323.09857	1.0
341.23209	1.2
379.12357	2.7
397.13483	32.9
398.13739	2.1
415.14554	12.3
416.14807	1.1
434.72388	0.2
485.32388	0.4
501.91504	0.3
503.33755	0.3
589.24591	0.6
607.26221	1.4
673.34198	0.4
691.35211	1.4
901.47485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.6
69.03451	8.9
71.01377	6.0
71.52509	0.8
72.99296	0.9
81.03454	1.1
83.05016	0.7
85.02933	3.6
87.00866	1.8
89.02438	6.3
92.69598	0.4
93.03455	8.6
95.01350	0.5
95.05008	0.5
97.02945	14.6
98.82730	0.3
101.02433	3.6
105.03439	0.6
109.02929	0.8
111.04517	3.2
113.02447	2.1
114.76073	0.3
119.03505	1.8
119.04961	0.6
121.02962	0.5
121.06557	0.4
123.04520	1.9
127.04007	1.1
129.01917	1.6
137.02432	0.9
140.98389	0.5
141.01932	4.1
149.06073	4.4
155.03432	1.9
159.21396	0.4
167.07126	0.5
173.04520	5.2
179.05621	0.5
191.05592	35.3
192.05994	0.9
193.05016	5.2
217.55937	0.4
224.16624	0.4
271.08328	0.8
353.08752	1.2
373.11362	2.0
419.54126	0.4
433.48053	0.4
547.16632	100.0
548.17047	9.8
577.40393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.9
85.02969	1.1
88.98802	85.0
89.99180	1.0
96.95998	2.0
98.27360	0.7
113.02484	0.8
113.68062	0.6
125.02428	0.6
132.02103	0.8
133.02951	17.6
133.03909	1.3
134.03383	0.7
135.04526	12.5
136.04832	1.0
137.02481	0.8
142.29529	0.6
161.02431	100.0
162.02791	3.4
175.03966	1.3
177.05652	1.0
179.03502	10.8
191.05588	1.6
203.03500	2.9
212.67238	0.7
215.73257	0.6
245.83665	0.7
262.18878	0.7
300.88315	0.7
323.07684	54.9
324.07892	3.8
487.34277	45.1
488.34625	5.7
811.42676	83.8
812.43005	20.7
901.43311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	33.5
78.95899	25.6
79.95703	25.1
80.89382	16.8
80.96519	100.0
98.20672	51.2
104.78909	20.1
139.12189	19.9
189.18671	23.7
196.01198	22.1
229.50220	26.7
277.21780	34.5
278.22095	26.1
336.04425	19.7
642.96246	26.6
900.47961	30.4
901.49231	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	1.3
69.03449	4.6
69.73726	1.4
69.74144	0.6
70.07983	0.3
71.01377	4.6
72.99287	0.4
75.48875	0.3
81.03485	0.6
85.02946	8.5
87.00868	2.0
89.02446	3.3
93.03451	10.6
94.03869	0.3
97.02945	7.3
99.04473	0.5
101.02435	1.5
109.02935	1.5
111.04501	2.4
113.02432	1.2
119.03494	1.3
121.02901	0.4
121.06557	0.5
123.04517	1.4
127.04021	2.0
128.27132	0.4
131.43102	0.3
133.02936	0.8
135.04546	1.6
137.02438	1.3
141.01917	1.3
143.03470	0.4
149.02425	0.4
149.06056	2.6
155.03506	1.3
161.02383	1.6
166.39230	0.3
167.07146	0.6
171.02908	0.5
173.04529	20.3
174.04868	0.8
179.03459	1.3
191.05595	100.0
192.05933	3.4
193.04967	2.7
222.75534	0.3
296.51007	0.3
330.68362	0.3
334.10110	0.3
353.08722	12.7
354.09103	0.8
373.11261	1.1
430.90836	0.3
547.16638	67.9
548.17017	8.4
890.17877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79676	47.9
70.49007	54.4
71.41157	100.0
106.77518	57.2
136.01389	49.1
147.06758	62.3
162.48328	50.5
695.95770	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98515	23.6
71.01360	20.6
78.95910	29.2
79.95701	26.5
79.99259	16.3
80.96514	67.0
85.67130	15.9
87.96365	15.3
99.43449	15.5
101.69928	17.6
116.92870	18.6
191.05548	22.6
197.11848	18.7
230.45903	18.9
339.53046	17.1
397.13705	20.0
900.45801	62.1
901.45660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98529	59.0
71.01376	54.9
76.24067	38.7
80.96503	74.8
81.10311	33.5
129.30577	35.9
229.28751	53.6
241.47435	40.7
277.21762	47.7
326.48965	38.9
415.21396	39.6
900.46069	99.0
901.47052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66426	18.3
62.98521	28.5
63.59586	14.5
70.31126	28.2
70.31453	30.0
71.01381	52.4
78.91900	16.4
78.95905	43.8
79.95734	50.6
80.96518	100.0
80.97318	14.3
94.98079	22.2
98.19851	17.4
99.64939	16.0
115.72377	14.1
122.18353	14.7
171.10254	16.0
191.05591	42.5
225.00616	28.4
225.11226	21.2
240.73488	15.0
257.02139	15.6
275.00262	16.0
277.21774	17.1
355.59415	19.1
397.13287	26.0
541.88300	17.4
558.57855	17.7
815.38739	35.4
900.47241	22.5
901.46063	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73898	1.4
71.01380	9.4
73.02962	1.7
75.00883	7.5
78.95922	4.4
80.96503	4.1
81.03457	1.7
83.01379	1.9
83.05032	4.3
85.02939	2.2
87.00897	1.6
89.02444	11.6
98.19868	3.3
101.02443	9.0
104.94434	1.3
109.43655	1.3
113.02424	6.9
119.03486	2.2
125.02428	6.8
143.03461	3.0
161.04492	4.8
163.11267	2.3
165.12837	2.2
179.05630	7.3
191.05641	2.1
191.10675	1.5
205.12109	1.5
209.11818	100.0
210.12131	5.3
210.15236	1.5
221.06566	2.2
227.12869	21.4
235.08195	4.3
253.09346	1.7
254.50298	1.5
255.23267	41.8
277.21716	7.0
287.07764	2.1
322.11856	1.7
323.09827	2.4
379.12396	14.3
390.53632	1.6
395.22641	1.7
397.13486	60.8
398.13522	3.5
415.14612	12.5
473.59583	1.4
545.73340	1.4
589.25330	7.1
607.25989	10.4
635.36389	4.9
653.37457	4.2
667.66400	1.6
755.33508	1.6
826.52252	4.7
845.49310	2.8
878.13257	1.6
899.47809	34.7
900.47485	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	899.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	3.8
71.01009	1.0
71.01383	13.7
71.05009	1.8
72.99320	1.0
73.02934	2.2
78.95914	0.8
79.95731	0.9
80.96507	1.9
81.03447	0.7
83.01390	1.7
83.05011	0.6
85.02934	2.8
87.00883	3.6
89.02444	9.8
89.43710	0.5
95.01391	1.2
96.96010	2.2
97.02943	2.2
97.06563	0.8
99.00876	1.3
101.02447	9.8
111.04503	0.6
113.02416	3.6
116.92805	1.4
119.03485	2.3
119.83981	0.5
123.08106	0.8
125.02433	2.6
125.09710	1.4
151.11273	1.4
153.12837	1.8
161.04506	1.1
161.09691	2.3
169.01384	0.6
179.10736	5.0
191.05663	1.1
196.54248	0.7
197.11816	60.6
198.12129	2.6
207.10075	0.6
221.06647	3.2
223.09763	1.8
235.08194	1.3
241.10719	3.4
265.14764	2.8
277.21692	19.5
278.22058	1.6
293.21155	0.6
397.13428	4.2
415.14728	1.1
621.24371	0.8
639.25330	1.0
742.92218	0.8
881.45746	0.8
899.46423	100.0
900.46790	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97441	0.6
67.01889	1.4
69.03454	4.7
69.49895	4.4
71.01381	13.5
71.05033	1.1
72.99295	1.5
73.02948	2.0
78.95899	0.8
79.95723	0.9
80.96516	2.8
81.03446	1.1
83.01369	3.0
83.05020	1.1
85.02954	3.7
87.00876	2.3
89.02443	9.8
94.80538	0.5
95.01353	0.8
96.96026	1.0
97.02943	1.4
97.06588	0.9
99.00851	1.3
99.73123	0.6
101.02437	8.5
113.02438	4.8
119.03479	1.5
123.08176	1.2
125.02422	2.0
125.09730	2.5
143.03520	1.0
144.89590	0.7
151.11255	3.1
153.12863	1.1
161.04625	1.1
161.09721	2.8
171.10315	0.7
179.05577	1.1
179.10718	5.0
191.05580	0.8
197.11823	36.4
198.12094	1.0
211.13336	0.9
221.06630	1.9
223.09796	1.1
235.08031	0.7
241.10757	2.4
269.63120	0.6
270.29175	0.6
277.21719	34.0
278.22086	2.6
293.21097	0.7
397.13492	2.8
621.24261	0.8
899.46387	100.0
900.46613	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05168	0.9
68.99510	0.8
69.03441	2.0
69.37101	5.9
71.01011	1.2
71.01380	20.3
72.99303	1.4
73.02933	3.3
80.02696	1.0
81.03455	3.3
83.01373	2.0
83.05026	2.8
84.44295	0.9
85.02946	5.8
87.00874	4.9
89.02439	15.8
93.03450	0.8
95.01404	1.5
95.05019	0.9
97.02948	10.4
99.00851	2.9
101.02444	15.5
105.23956	0.8
107.05006	0.8
109.06593	33.6
110.03717	1.4
110.06920	0.8
111.00829	1.0
111.04516	0.9
111.08184	1.0
113.02456	8.6
119.03491	4.4
121.06562	2.3
122.90578	0.9
123.04544	4.1
125.02439	6.2
135.08153	3.0
136.05270	2.3
141.01923	1.6
142.02704	2.3
143.03506	1.9
145.04971	1.0
149.04585	1.0
161.04535	3.6
161.09723	1.3
163.11276	19.6
179.05649	5.0
179.10757	0.9
181.12413	4.9
189.09097	1.3
191.05421	1.0
195.13887	8.4
196.14503	0.7
197.06807	0.8
197.11792	1.1
205.15677	0.9
207.10254	87.5
208.10538	5.4
209.11823	7.0
211.13383	1.7
221.06610	3.3
223.13382	3.9
225.11311	48.0
226.11646	2.9
227.12698	1.1
235.08131	4.2
243.12381	2.4
253.09344	1.5
256.13095	1.7
263.07739	1.2
275.20084	4.2
276.20428	1.1
281.13815	1.1
287.07645	1.2
291.19559	3.2
292.20148	1.1
293.21219	100.0
294.21600	9.4
299.14920	2.1
305.08801	2.0
321.08084	1.0
379.12250	2.5
397.13495	39.7
398.13791	2.2
415.14569	16.7
416.14673	1.1
575.36212	0.9
605.24609	9.8
623.25494	10.9
691.35114	1.3
881.45422	3.1
899.46436	54.3
900.46661	12.0
923.63232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43620	0.3
67.01891	2.6
69.03454	1.0
69.29603	0.3
69.50029	1.9
70.75380	0.3
71.01379	2.1
71.37585	0.3
73.02937	0.5
73.63506	0.3
81.03448	0.7
83.05023	0.7
84.96226	0.3
85.02943	6.3
86.17656	0.3
87.00869	4.9
89.03976	0.5
93.03455	21.1
94.03783	0.7
99.00837	0.4
99.04520	0.6
105.03416	0.3
108.02171	0.5
109.02970	1.6
111.00867	0.4
111.04505	3.0
113.02422	0.6
117.03445	1.0
121.02953	0.8
121.56466	0.3
122.03687	0.3
124.01682	1.6
125.02411	0.9
127.04025	1.7
129.01949	0.5
132.02165	1.8
133.02919	2.0
134.03732	3.5
135.04520	21.1
136.04863	1.1
137.02432	0.9
143.03487	0.3
149.05980	0.3
150.03233	0.9
151.04019	2.1
155.03482	0.8
159.04424	0.3
160.01662	7.3
161.02370	0.8
162.03215	1.1
163.04022	0.6
171.02980	0.6
172.05244	0.3
173.04544	8.5
173.06009	0.6
173.08737	0.3
174.04913	0.3
177.01904	0.8
178.02713	1.1
179.03468	4.7
180.04134	0.4
187.07651	1.3
191.05595	100.0
192.05916	4.8
193.05978	0.6
209.11743	0.5
213.09180	0.5
215.05412	0.5
215.07153	1.6
229.08693	0.3
231.10323	0.4
257.08167	6.3
258.08444	0.5
275.09250	2.8
300.02673	0.3
301.03308	0.5
307.08221	1.3
308.09030	4.0
351.07156	4.0
352.03525	0.4
352.07919	6.9
353.08420	0.6
447.09384	0.4
449.14505	33.3
450.14774	5.8
451.14966	1.1
626.46979	0.3
717.30371	0.3
899.28833	1.3
900.31274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	12.0
69.03450	3.4
69.16402	0.5
69.29275	4.2
71.01387	3.7
78.65965	0.6
81.03447	1.7
83.05031	1.5
85.02940	2.9
87.00878	17.3
93.03457	100.0
94.03781	2.6
99.00883	1.6
99.04517	1.6
101.02372	0.6
109.02971	0.8
111.04523	13.3
113.02446	1.4
115.04018	0.8
123.99907	0.6
125.02471	0.9
129.01939	1.9
129.23479	0.5
133.02950	2.1
134.03743	11.1
135.04510	7.2
137.02406	2.3
139.03975	0.5
143.03474	1.0
151.00354	0.8
155.02417	0.6
155.03482	3.0
164.04671	0.5
173.04543	41.4
174.04886	1.4
177.01913	1.5
178.02730	5.7
179.03465	3.0
187.07660	0.7
191.05603	32.6
192.05937	1.5
227.03474	12.1
228.03929	1.1
229.05055	2.2
231.10335	0.8
255.02985	17.4
256.03629	2.3
257.04633	1.0
257.08218	2.2
275.09308	1.7
284.03244	21.7
285.03995	22.2
286.04214	1.5
293.10455	3.8
308.09232	1.2
340.07898	0.9
352.08090	1.3
431.09772	36.6
432.10007	5.0
437.14316	0.9
443.18616	0.7
447.09177	0.6
449.14511	48.1
450.14828	6.6
467.15567	82.9
468.15924	8.9
511.58713	0.7
549.97638	0.6
834.45068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33471	25.3
70.61887	21.3
71.01379	100.0
75.00877	24.4
80.96487	34.2
85.02956	30.6
89.02409	32.1
97.02982	25.9
98.19909	68.1
101.02460	36.7
105.23870	22.9
125.02422	26.2
164.98662	23.5
171.10291	54.8
191.05637	27.6
191.46600	26.1
201.11147	24.7
207.10223	39.5
223.09686	36.6
225.11307	34.1
255.23193	50.7
277.21689	92.7
293.21353	45.6
387.52612	24.1
397.13538	65.6
467.13614	27.2
526.66370	23.6
898.47784	26.9
899.45245	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22486	0.6
65.03972	0.8
67.01890	11.7
69.03437	3.5
71.01380	5.2
81.03466	2.6
83.05024	2.2
85.02951	2.6
87.00877	18.5
93.03458	100.0
94.03790	2.8
98.20730	1.7
99.00862	2.0
99.04515	2.0
101.02428	0.7
109.02950	1.4
111.04519	12.6
113.02451	1.3
127.04023	1.8
129.01920	1.5
133.02940	1.9
134.03726	11.0
135.04523	8.1
137.02452	2.7
137.74117	0.7
153.01891	0.7
155.03493	2.9
173.04539	40.5
174.04736	1.0
177.01945	2.1
178.02678	4.7
179.03444	2.4
191.05602	31.1
192.05956	2.1
194.44531	0.8
212.67860	0.7
227.03470	11.4
228.03722	0.8
229.05064	2.0
231.10300	0.8
255.02972	17.9
256.03528	2.7
257.04501	1.3
257.08151	1.4
275.09250	1.9
284.03256	20.7
285.03995	17.4
286.04404	1.4
293.10440	3.8
308.08749	0.8
340.07886	1.5
352.07928	1.5
431.09778	38.5
432.10159	3.4
437.14365	1.1
449.14502	53.3
450.14886	5.5
467.15561	88.1
468.15952	9.3
899.27911	0.9
912.71399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98538	21.1
67.01873	8.7
81.71620	7.3
85.02979	8.0
87.00874	20.7
87.49545	7.5
93.03461	95.9
111.04476	13.7
135.01408	7.3
135.04506	18.0
145.46376	6.6
146.57249	6.5
162.03220	10.0
173.04562	37.1
191.05588	90.0
209.11824	24.2
215.38989	6.7
229.26050	8.8
300.02783	10.9
301.03400	21.3
302.03711	7.8
378.17606	7.3
447.09189	11.6
448.09772	12.2
449.14432	100.0
512.07263	7.8
519.12244	6.8
584.01819	8.2
898.39600	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	898.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98510	18.1
65.31667	14.6
68.61656	20.3
71.01373	100.0
80.96519	31.2
89.02447	36.8
93.75067	18.7
96.95985	19.0
101.02421	27.8
171.10295	36.1
172.10648	18.4
191.05562	30.1
207.10197	29.5
209.11757	30.6
221.11852	22.9
226.11606	19.1
255.23247	37.2
277.21732	40.4
293.21243	25.6
397.13470	63.5
415.71176	20.0
710.24225	21.0
898.48224	20.9
899.45306	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	2.5
70.53357	2.1
70.53741	2.2
71.01379	100.0
72.01721	1.2
72.99309	2.4
73.02937	4.0
74.82922	1.1
75.00860	5.1
76.11836	1.1
78.95914	2.1
80.96503	1.3
81.03443	3.0
83.01371	3.6
83.05020	2.9
85.02950	9.4
87.00882	7.7
89.02440	17.5
90.70913	1.1
93.03409	1.2
95.01373	1.8
97.02930	4.8
99.00874	3.6
101.02440	17.8
107.53049	1.1
109.06577	5.0
111.04504	1.1
113.02435	10.9
119.03516	5.3
125.02439	8.1
125.09702	2.6
127.11283	2.2
131.03481	1.4
133.05048	1.1
139.03951	1.1
141.01907	1.5
143.03517	2.7
149.04591	1.1
152.99542	1.2
158.29985	1.1
161.04504	4.6
161.09602	1.1
163.11292	3.3
167.03317	1.2
171.10263	48.0
172.10558	2.5
177.12804	1.4
179.05550	3.4
181.12334	1.6
191.05692	2.7
195.13805	2.0
199.06029	2.1
199.09752	8.8
201.11308	9.2
207.10254	12.0
209.11855	7.4
221.06618	2.2
221.11803	27.5
222.12180	1.4
225.11285	8.6
235.08247	6.6
239.12811	11.8
243.12193	1.9
255.23276	68.4
256.23560	5.5
277.21716	16.3
278.22037	2.2
287.07681	2.5
305.08807	3.3
323.09692	1.4
379.12399	5.6
397.13495	47.1
398.13873	2.9
415.14557	12.3
607.26501	1.2
619.26050	1.2
734.63629	1.2
810.08850	1.4
835.47095	1.5
861.48773	6.9
862.49078	3.0
879.48376	1.7
897.49371	14.4
898.49634	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	897.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	1.7
71.01380	100.0
72.01730	1.6
72.99320	2.2
73.02940	5.0
75.00887	2.5
78.95893	1.9
81.03432	1.3
83.01380	4.2
83.05024	2.8
85.02957	9.3
87.00874	6.3
89.02444	20.8
95.01388	1.8
95.90014	1.1
97.02953	6.1
98.99133	0.9
99.00880	3.6
101.02438	18.8
109.06587	4.8
110.03707	1.3
111.04473	1.7
113.02455	12.4
119.03489	4.4
123.08131	1.2
125.02440	8.1
125.09721	2.2
127.11275	2.8
127.50903	1.2
131.03465	1.3
143.03477	4.9
146.03067	0.9
155.10750	1.1
161.04514	5.6
163.11285	3.8
171.10257	51.4
172.10580	1.7
177.12827	2.9
179.05649	6.0
181.12270	2.4
185.04520	1.0
186.29744	1.0
191.05606	1.7
199.09727	9.2
199.11264	1.4
199.13400	1.9
201.11317	14.0
207.10242	14.7
208.10469	1.2
215.12903	1.7
221.06532	2.4
221.11803	13.5
225.11320	14.1
226.11440	1.1
235.08260	6.5
239.12872	8.3
249.48660	1.3
255.23260	67.2
256.23611	5.9
277.21747	8.5
287.07590	1.5
305.08621	2.9
323.09601	1.8
379.12354	6.2
380.12735	1.3
397.13474	46.4
398.13840	2.5
415.14618	11.7
510.97681	1.0
623.26062	1.3
684.61768	1.2
713.87933	1.1
767.04987	1.1
835.46564	2.6
861.48322	7.1
862.49231	2.2
879.49591	3.1
897.50177	14.1
898.49719	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	897.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14251	2.6
69.91679	12.5
71.01369	17.0
78.95898	3.7
79.95712	3.5
80.96525	5.3
85.02956	6.3
87.00871	5.3
89.02441	20.5
93.03438	2.8
97.02962	8.9
101.02445	18.3
103.92589	2.6
109.06583	20.7
113.02450	7.8
119.03490	3.7
122.28221	2.6
125.02457	8.5
135.08130	5.9
143.03477	3.3
161.04463	4.1
163.11293	6.7
179.05602	6.1
189.09241	3.1
207.10251	82.3
208.10626	3.9
225.11337	37.1
226.11719	2.7
235.08141	7.8
255.23286	62.9
256.23581	6.8
379.12445	18.8
397.08240	5.6
397.13470	79.5
398.13937	4.9
415.14307	13.1
500.50406	2.6
587.23169	5.4
605.24445	11.7
623.25299	4.9
635.36285	7.9
653.37640	15.7
654.38525	3.4
861.48486	100.0
862.48828	26.8
897.46259	45.9
898.46893	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	897.485
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	0.3
69.03438	2.9
70.00847	1.3
71.01380	14.9
71.05022	0.9
72.99298	1.4
73.02951	2.0
81.03452	0.7
83.01385	1.4
83.05024	0.3
85.02954	3.5
85.06614	0.3
87.00871	3.2
89.02439	13.8
93.03446	0.5
95.01405	1.0
95.04992	0.4
95.25899	0.3
97.02953	2.1
99.00887	0.7
101.02440	11.3
109.06599	0.6
111.00893	0.6
111.04528	0.5
111.08187	0.5
113.02450	5.5
115.04009	0.3
119.03494	3.1
120.35364	0.3
121.02978	0.4
125.02453	4.1
128.33049	0.3
130.28445	0.3
131.03476	0.6
131.45120	0.3
137.02460	0.4
139.03983	0.5
143.03496	2.2
144.15794	0.4
149.04510	0.4
149.09773	0.4
161.04556	2.8
167.10738	2.6
172.57642	0.3
177.12776	0.7
179.05580	4.1
179.10768	0.8
179.14381	3.1
187.11259	0.5
191.05540	0.6
195.13890	14.3
196.14575	0.9
205.12315	7.5
206.12636	0.4
209.11890	0.3
211.13364	0.6
217.07202	0.5
221.06708	1.3
223.13380	72.2
224.13712	4.3
225.15004	0.5
228.13658	0.5
235.08247	3.7
253.09216	1.1
256.13123	0.8
265.14368	0.3
265.21579	0.4
275.20172	5.2
276.20639	0.4
287.07645	0.9
293.21210	100.0
294.21561	8.5
305.08801	1.6
323.09589	1.4
379.12451	2.3
397.13483	32.5
398.13776	2.3
415.14532	14.1
416.14856	0.8
499.34286	1.0
535.75989	0.3
603.26489	3.3
604.27551	0.5
621.27649	8.1
622.27808	0.9
673.34650	1.2
691.35443	2.0
692.35791	0.4
897.47717	1.6
898.50085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	24.6
71.52499	3.7
78.95906	31.5
79.95732	10.2
80.96526	13.5
81.03461	4.5
89.02447	15.1
96.96919	5.8
101.02460	14.6
109.06593	19.3
111.16353	3.8
112.21827	4.4
113.02412	4.9
125.02465	7.3
134.16824	4.1
143.03484	6.1
146.73744	4.5
152.99666	7.0
163.11340	17.4
179.05656	7.3
191.05630	4.5
207.10263	68.4
208.10551	4.9
225.11337	51.3
235.08200	7.1
241.01176	12.1
255.23306	64.5
256.23621	5.8
287.07764	4.5
379.12537	8.4
397.13513	50.9
415.14548	16.4
448.22235	5.3
478.82129	4.8
605.24622	19.9
623.25714	9.8
861.48352	100.0
862.48810	27.5
897.46979	90.5
898.46570	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.376
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.7
67.01885	6.4
67.59213	0.3
69.03452	1.8
69.81433	1.9
69.99068	0.4
71.01373	2.6
73.02944	0.4
81.03452	1.4
83.05011	1.3
83.39042	0.3
85.02945	7.0
87.00340	0.5
87.00876	11.0
87.28326	0.3
89.03979	0.6
93.03455	50.9
94.03796	1.2
98.19959	0.4
98.48077	0.3
99.00880	1.0
99.04510	0.7
108.02168	0.6
109.02930	1.6
111.04509	7.2
113.02437	0.5
117.03483	2.7
121.02943	0.6
122.03720	0.4
124.01653	0.9
125.02440	0.7
127.04002	1.8
129.01968	1.2
132.02148	2.8
132.93883	0.3
133.02975	1.6
134.03738	6.6
135.04520	17.4
136.04890	0.5
137.02422	1.0
143.03510	0.5
150.03221	1.0
151.00385	0.5
151.03958	2.3
153.08951	0.3
155.03476	1.6
159.04527	0.4
160.01643	8.4
161.02394	1.5
162.03244	3.5
163.03943	0.4
171.03001	0.9
173.04539	18.9
174.04849	0.7
177.01888	0.9
178.02667	1.3
178.99800	0.4
179.03473	3.5
180.04211	0.8
187.07748	0.5
191.05597	100.0
191.73314	0.3
192.05952	3.6
209.11780	0.7
213.09204	0.7
215.05563	0.7
215.56511	0.4
231.10353	0.7
255.02930	0.9
257.08130	5.9
271.02402	2.0
275.09171	5.5
300.02728	3.7
301.00375	0.6
301.03445	2.4
307.08163	1.4
308.08963	3.3
329.70047	0.4
351.07208	4.2
352.07886	6.7
353.08289	0.5
447.09302	5.9
447.33459	0.4
448.09720	0.6
449.14487	72.5
450.14847	8.1
713.87305	0.4
714.00037	0.5
722.40692	0.4
929.41754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	4.0
69.03455	1.0
69.76230	1.6
71.01381	1.6
73.02966	0.4
73.12851	0.2
81.03458	1.2
83.05029	0.7
83.11523	0.3
85.02945	6.8
87.00879	6.2
89.03974	0.7
93.03455	28.3
94.03763	0.8
97.02939	0.3
98.43752	0.4
99.00866	0.6
99.04510	0.7
108.02165	0.6
109.02956	1.7
111.00844	0.4
111.04507	4.1
113.02430	0.6
117.03461	1.4
121.02953	0.4
122.03654	0.4
124.01648	1.2
125.02451	0.6
126.03276	0.3
127.04007	1.7
129.01949	0.5
132.02180	2.1
133.02966	1.4
134.03758	3.2
135.04523	16.6
137.02449	0.7
143.03490	0.6
150.03189	0.7
151.00343	0.8
151.04039	1.9
155.03448	0.8
160.01645	8.2
161.02348	0.8
162.03229	1.0
171.02994	0.7
173.04539	10.7
173.06042	0.5
174.04900	0.4
177.01921	0.9
178.02673	0.9
178.99863	0.4
179.03468	3.1
180.04236	0.4
187.07637	0.8
191.05602	100.0
192.05957	2.7
213.09207	0.5
215.05496	0.4
231.10249	0.5
255.02971	0.9
257.08182	5.3
258.08588	0.4
271.02536	2.3
275.09232	3.1
300.02753	4.2
301.03427	3.3
307.08313	1.0
308.08981	3.2
309.09280	0.3
329.02728	0.4
351.07166	4.1
352.07938	5.0
353.08328	0.8
363.56442	0.3
447.09277	6.5
448.09485	1.0
449.14511	41.8
450.14908	5.1
520.47943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98527	13.9
85.02949	17.3
87.00837	11.4
93.03465	12.3
98.20726	26.0
124.44302	7.7
126.13455	8.1
134.03569	8.0
135.04497	11.9
170.20042	8.4
184.14560	7.7
191.05603	100.0
203.08443	8.9
209.11848	29.3
463.10297	12.1
695.29517	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	897.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	0.9
69.03432	0.5
71.01379	1.2
71.53510	0.4
83.01344	0.3
85.02948	8.1
87.00878	2.2
93.03456	4.8
96.75772	0.3
96.96020	0.4
97.02979	0.3
107.01365	0.3
108.02145	0.5
109.02940	0.8
111.04509	1.2
113.02424	0.4
121.02987	0.4
127.04012	2.1
134.03714	0.5
135.04514	0.6
137.02457	0.4
151.00357	1.7
155.03502	0.5
159.04547	0.3
161.02419	0.4
163.00293	0.5
169.01500	0.7
171.02985	0.6
172.05299	0.8
173.04552	2.3
178.99840	0.9
183.04495	0.7
187.04031	0.6
187.07634	12.3
188.07965	0.4
191.05600	100.0
192.05937	3.4
196.44881	0.3
199.03957	1.4
200.04672	0.6
202.06355	0.6
203.40161	0.3
204.04192	0.3
211.07559	0.5
213.09238	1.5
215.07056	2.4
227.03493	2.2
228.04219	2.1
229.08690	0.8
230.08728	0.3
231.10239	1.2
243.02953	0.6
245.04495	0.4
255.02907	2.6
257.08163	13.2
258.08481	0.8
271.02457	4.3
272.02823	0.5
275.09274	2.6
300.02725	10.1
301.00098	0.4
301.03430	8.4
302.03778	0.8
373.27789	0.3
447.09286	16.5
448.09698	2.5
449.14529	32.3
450.14886	3.9
467.15341	0.4
505.40604	0.3
607.15112	0.3
783.69513	0.3
891.76147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96209	1.6
65.57788	1.4
69.03446	1.9
71.01376	7.8
75.37768	1.3
78.95900	46.2
78.98589	5.5
79.95732	78.0
80.96513	66.9
81.95313	1.7
82.96088	4.0
85.02939	3.3
87.00864	2.1
94.98085	15.5
96.95993	3.1
96.96951	10.1
97.02943	2.6
97.06600	4.4
98.19945	2.9
106.98061	3.3
122.97549	5.9
125.02474	1.5
134.97581	5.2
135.70244	1.2
136.99150	2.0
148.99107	4.9
152.98587	4.6
152.99667	9.5
161.04552	2.9
164.98622	9.6
171.10260	9.0
183.13895	1.8
186.85504	1.3
193.12292	4.8
202.89484	1.3
206.99640	4.3
211.13480	1.3
223.00146	2.1
223.99947	2.0
225.00714	20.6
225.14966	7.5
241.01205	16.9
243.15919	2.6
255.23276	27.8
256.23511	1.8
263.39792	1.7
341.05484	6.1
341.19470	1.8
341.23187	8.2
388.91650	1.4
414.23901	1.4
425.14783	5.8
456.12213	1.5
499.85953	1.7
537.27478	5.1
637.32410	3.0
684.75812	1.4
709.38501	14.5
710.39282	2.3
877.49774	4.0
895.51715	100.0
896.51843	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78680	1.5
70.38339	5.9
71.01382	15.7
72.99306	3.1
73.02943	2.7
75.00890	1.5
78.95908	3.7
80.96504	2.0
81.03463	2.3
83.01383	2.0
83.05027	3.3
85.02987	4.3
87.00847	3.2
87.57578	1.6
88.98806	12.4
89.02444	15.8
97.02942	3.1
101.02439	12.2
113.02441	6.8
119.03477	2.3
125.02440	5.5
143.03592	1.7
161.04564	3.2
163.11375	3.5
165.12901	2.2
179.05637	3.3
191.05455	1.5
209.11809	100.0
210.12120	4.2
227.12834	13.3
235.08150	4.7
253.09213	2.8
255.23270	56.0
256.23697	5.3
259.15451	1.9
305.08887	2.0
366.40131	1.6
379.12473	12.0
397.13443	43.9
398.13751	3.7
415.14435	8.9
433.70422	1.5
653.37598	3.4
717.27661	1.7
786.09656	1.7
895.48438	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	895.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75503	0.6
65.33354	0.6
67.01880	1.1
67.88771	0.6
69.52937	4.5
71.01380	0.7
72.69520	0.5
85.02936	4.9
87.00925	1.4
91.93623	0.5
92.18205	0.6
93.03458	7.6
107.01386	10.4
109.02959	0.6
111.04511	1.9
123.00859	0.8
124.01609	0.7
125.02440	28.8
127.04002	1.8
133.02931	0.8
135.04498	5.3
139.80284	0.6
143.03506	0.6
155.03487	1.0
161.02399	1.2
169.01410	67.3
170.01810	1.7
173.04543	5.3
176.66466	0.6
179.03436	1.5
191.05598	100.0
192.05949	3.3
217.28598	0.6
235.46187	0.7
273.50519	0.8
298.59674	0.6
325.05688	2.0
343.06659	85.9
344.07129	5.0
353.08807	10.1
389.06454	8.2
505.09848	32.9
505.17429	1.3
506.09836	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	895.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	2.3
75.44159	1.7
78.78371	2.2
95.01338	2.5
98.20671	4.2
107.01405	6.4
111.00889	2.0
117.60114	1.7
123.00892	7.0
125.02441	38.6
139.00340	3.9
151.00389	3.0
168.00587	4.1
169.01416	55.0
170.01793	2.2
191.05649	5.7
193.01320	3.6
207.03265	2.2
211.02380	4.7
234.45744	2.1
295.04489	3.6
297.06302	2.7
313.05688	19.4
314.06052	2.2
412.87347	2.1
465.06741	100.0
466.06924	7.4
635.08734	20.0
768.60394	2.1
774.88287	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	891.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43756	0.4
69.03457	1.1
70.58542	1.0
71.01381	17.3
72.99306	1.7
73.02934	2.3
75.00890	0.4
80.02681	1.4
80.96537	0.5
81.03457	1.9
83.01380	2.5
83.05023	5.4
84.02161	0.9
85.02951	4.4
87.00871	4.3
89.02444	13.5
95.01385	1.5
95.05032	1.0
97.02933	2.6
99.00900	0.9
101.01795	0.8
101.02443	13.0
111.00830	0.3
111.04482	0.4
113.02460	6.7
119.03492	3.8
125.02435	6.0
127.04038	0.6
131.03519	0.5
132.22966	0.3
135.08125	0.6
139.03963	0.9
140.41444	0.4
143.03488	3.1
145.05032	0.4
161.04536	2.8
163.11322	3.7
165.12827	2.3
167.03491	0.6
179.05611	3.3
181.12338	0.7
191.10770	0.7
209.11815	100.0
210.12149	5.2
217.07109	0.8
220.42816	0.4
221.06639	1.3
227.12869	12.6
228.13388	0.5
235.08257	4.8
245.06499	0.7
253.09286	1.3
263.07678	0.5
283.26410	57.7
284.26810	4.8
287.07703	1.4
305.08844	2.0
323.09680	1.5
379.12387	6.6
380.12430	0.5
397.13480	42.7
398.13757	2.5
415.14532	8.6
416.14783	0.9
425.20096	0.5
607.26105	0.7
663.39594	0.5
681.40356	0.8
891.53259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.3
65.00304	0.6
69.34096	1.4
69.34491	0.5
71.01385	0.6
83.01376	0.4
85.02928	0.3
89.02421	0.3
93.03446	0.5
98.19920	0.5
103.26620	0.2
107.01392	1.7
108.02168	0.9
109.02928	0.9
111.56712	0.2
112.04016	0.3
121.02937	1.6
125.02399	0.4
135.00862	0.6
137.02405	0.4
147.04427	0.3
148.01617	0.6
149.02417	0.3
151.00362	6.8
152.00751	0.3
161.02376	0.5
163.00380	1.8
163.49472	0.3
164.01157	0.4
169.01398	0.4
174.16478	0.3
178.99840	2.9
183.04486	0.3
187.07623	0.3
191.05614	4.8
192.05914	0.6
199.03761	0.5
201.05504	0.4
204.69305	0.3
204.99956	0.3
211.03951	0.9
215.03572	0.6
226.02730	0.8
227.03462	1.6
229.05077	0.7
243.02966	5.3
245.04471	0.8
254.02138	1.4
255.02975	15.2
256.03314	1.0
271.02454	30.7
272.02948	2.7
273.03802	0.9
283.02411	0.9
299.02127	0.4
300.02731	65.6
301.03470	38.4
302.03891	2.5
425.90244	0.3
433.07721	100.0
434.08075	10.4
458.11322	2.2
768.70605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70745	0.5
61.98828	10.2
69.03481	0.5
71.01371	1.2
71.05013	0.6
85.02944	1.4
93.03469	1.2
95.01377	1.3
96.96034	0.7
98.20712	1.7
103.54798	0.6
109.02963	1.0
113.02426	0.8
121.02934	1.5
123.00907	1.8
125.02441	5.1
133.02943	16.5
134.03687	1.0
135.04510	10.9
137.02435	1.1
161.02429	100.0
162.02760	3.7
165.23050	0.5
166.99861	0.9
168.00632	0.7
169.01399	5.8
175.03986	1.8
178.02711	0.8
179.03487	11.5
191.05598	6.8
192.05829	0.5
203.03439	1.8
229.22403	0.5
301.00034	0.7
323.07681	50.7
324.08084	4.1
379.29663	0.7
409.85583	0.7
421.31265	1.0
429.33072	0.7
443.31595	1.0
453.29919	3.8
485.32678	9.5
486.33093	0.8
486.73364	0.5
493.47638	0.6
503.33752	33.7
504.34149	4.6
549.65283	0.7
569.08539	0.9
684.73920	0.6
717.27411	0.7
721.11023	3.1
739.11029	0.6
827.42194	72.6
828.42468	16.1
891.11823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5081
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
61.98813	46.5
71.52435	20.6
76.83350	13.1
101.02441	14.0
116.92881	29.3
151.32864	14.1
168.82291	12.2
191.05707	14.1
197.11833	21.0
209.11789	39.9
212.53560	14.1
253.09291	34.0
256.14438	12.3
271.34354	12.3
291.19403	25.3
293.21225	100.0
307.19281	13.6
309.20734	16.8
316.23480	15.1
341.23395	81.2
455.83441	14.2
471.34882	39.5
498.39728	13.2
577.32751	18.0
707.56580	15.0
793.98456	15.6
889.50598	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	9.8
71.01393	1.6
71.05009	0.7
73.41938	0.5
85.02953	1.0
93.03478	0.8
98.19917	1.9
101.68493	0.5
102.26028	0.7
103.36690	0.5
113.02482	1.0
116.04227	0.6
133.01938	1.0
133.02953	19.8
134.03752	1.1
135.04520	13.3
137.02414	1.1
137.97850	0.6
138.26352	0.5
161.02432	100.0
162.02780	4.2
166.57423	0.6
172.87074	0.5
175.04013	1.4
178.02672	0.6
179.03481	10.1
191.05643	1.9
199.96782	0.6
203.03496	2.5
238.24977	0.5
251.01575	0.5
323.07687	52.0
324.08041	3.4
397.42789	0.6
421.31171	0.7
443.31595	0.8
459.34766	0.7
485.32703	12.8
486.33044	1.7
486.61191	0.6
503.33719	26.1
504.34341	3.8
698.52240	0.6
827.42188	75.3
828.42511	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	6.2
69.03439	1.0
71.01374	16.2
72.99295	1.6
73.02937	2.7
73.84486	0.9
81.03445	1.0
83.01388	2.8
83.05054	1.2
85.02936	3.3
87.00868	3.7
89.02441	13.0
93.10513	0.8
95.01382	1.4
97.02941	2.5
99.00883	0.8
99.92544	1.0
101.02442	11.7
113.02466	6.8
116.92860	6.8
119.03485	3.3
121.06593	0.9
123.77197	0.8
125.02435	6.3
127.11224	1.9
143.03491	1.6
161.04501	3.9
171.10257	100.0
172.10602	2.8
176.88391	0.9
179.05602	3.3
191.05627	1.4
209.11778	7.1
210.12093	2.6
221.06659	1.5
227.12868	1.1
235.08124	4.9
253.09181	1.1
277.21698	55.8
278.22049	4.8
279.23218	1.9
280.23822	1.9
287.07690	1.6
291.19675	1.0
292.84430	1.0
296.93680	0.9
305.08737	2.4
323.09702	1.2
379.12491	14.2
380.12689	1.3
397.13458	38.0
398.13852	2.9
415.14551	7.5
551.23199	3.1
569.24506	3.9
657.35284	2.1
675.35864	1.4
815.52380	2.5
889.47980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4641
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98826	4.2
67.23016	2.1
68.03409	2.1
71.01385	16.0
71.53345	3.3
73.02942	3.8
78.95911	4.2
85.02936	7.2
87.00864	3.4
89.02448	10.0
96.96016	14.2
96.96944	4.1
97.06607	4.7
99.92581	3.1
101.02462	12.3
101.03011	1.9
113.02513	2.0
116.92856	29.9
119.03483	1.9
119.98557	1.9
125.02401	3.6
143.03513	2.2
151.11246	10.9
169.01578	2.3
169.12335	62.8
191.05627	5.3
195.13962	2.9
209.11804	5.1
213.11295	12.0
221.06575	2.9
223.13271	3.0
255.08585	1.9
275.20233	3.1
293.21170	9.8
303.15659	1.8
323.38177	1.9
342.05417	2.2
593.24933	2.0
887.46521	100.0
888.46625	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	5.9
71.01379	17.3
71.52673	1.8
72.61902	1.7
72.99283	1.6
73.02949	2.1
74.66512	1.3
85.02948	4.4
86.67467	1.2
87.00883	4.7
88.12421	1.3
89.02447	15.0
97.02969	2.6
101.02436	12.5
113.02448	8.1
116.92843	5.1
117.92812	1.4
119.03523	3.2
125.02468	7.8
125.09737	2.0
127.11258	2.6
143.03452	3.1
143.20403	1.3
151.09541	1.3
161.04527	4.0
171.10266	100.0
172.10594	3.4
179.05577	3.4
193.39067	1.6
209.11783	2.7
235.08176	6.4
253.09135	1.5
256.18140	1.6
277.21710	64.4
278.22046	7.1
287.07681	2.2
305.08612	3.5
379.12463	14.4
380.12827	1.7
382.47626	1.7
397.13510	44.9
398.13928	3.6
415.14691	8.6
551.23792	3.5
675.35992	1.8
727.93884	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	886.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98544	0.1
71.01406	0.1
78.95903	0.3
79.95736	0.2
80.96519	0.8
83.45064	0.1
85.02965	0.1
87.00897	0.1
94.98076	0.2
101.02457	0.1
113.02457	0.1
125.02491	0.1
128.90140	0.1
148.99179	0.1
209.11864	0.2
225.00793	0.2
277.21762	0.2
278.22635	0.1
279.23386	0.1
293.21390	0.2
295.22791	0.2
397.13351	0.2
516.48615	0.1
785.39990	0.1
800.41876	0.1
812.50580	0.2
886.48517	0.3
887.48260	0.9
910.95599	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	887.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	9.4
62.70892	2.0
63.78614	2.7
63.78946	2.5
69.03430	4.6
71.01387	17.0
71.86008	2.3
73.02943	3.9
75.05950	2.2
78.95911	8.1
79.95718	2.6
81.01673	2.2
85.02951	5.7
87.00894	5.6
89.02458	10.1
93.03522	2.6
96.96020	33.4
96.96970	7.8
98.95596	9.7
99.92577	4.2
101.02447	15.6
103.83245	2.6
109.06614	2.4
111.09396	2.2
113.02441	7.8
115.92021	4.7
116.92863	13.2
119.03574	5.1
125.02467	6.9
134.44882	2.8
134.89470	3.7
137.20798	2.3
138.01166	2.3
161.04477	2.8
165.61742	2.8
167.10782	3.4
171.10246	2.6
179.05659	5.6
179.10646	2.5
179.14420	4.1
191.05576	4.3
195.13928	12.7
197.11833	16.6
205.12329	11.7
209.11734	7.1
221.06427	4.0
223.13394	100.0
224.13786	6.8
253.09424	3.4
293.21249	3.3
309.20773	12.2
310.27274	2.4
379.12360	4.8
397.13522	29.9
415.14484	5.8
431.38257	2.5
455.18631	2.8
603.26520	12.3
604.26917	3.3
621.27802	14.4
647.34705	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	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01890	0.3
69.03444	0.9
70.22663	0.2
71.01378	16.2
72.99314	1.3
72.99656	0.2
73.02942	2.9
75.00861	0.5
80.02682	1.3
81.03454	1.9
83.01392	1.9
83.05024	5.4
84.02166	0.6
85.02953	4.2
87.00867	4.3
87.04455	0.3
89.02441	13.9
90.02773	0.3
90.58947	0.2
91.04030	0.4
93.03446	0.5
95.01376	1.5
95.05011	0.9
97.02934	2.9
98.19866	0.5
99.00878	0.9
101.02435	11.6
109.02999	0.3
109.06544	0.3
111.00863	0.2
111.04499	0.7
113.02444	7.3
113.06136	0.2
115.03996	0.6
119.03497	3.8
121.02927	0.3
123.04558	0.3
125.02445	6.2
125.06054	0.4
126.96748	0.2
127.04005	0.3
131.03484	0.8
133.05049	0.5
135.08105	0.6
139.03966	0.5
141.01920	0.5
143.03493	2.6
145.05038	0.3
149.04527	0.6
149.25282	0.2
161.04541	3.2
163.11272	3.9
165.12804	2.3
167.03490	0.6
179.05589	3.7
181.12398	0.3
185.04364	0.3
191.10741	1.1
199.06042	0.6
209.11806	100.0
210.12141	6.2
210.14165	0.2
217.07138	0.7
221.06744	1.3
223.13310	0.3
227.12854	11.2
228.13197	0.4
235.08214	5.8
236.08492	0.3
251.12865	0.5
253.09233	0.7
259.08276	0.4
263.07605	0.6
277.21695	51.6
278.22064	5.2
287.07709	1.2
291.23227	0.6
305.08743	1.7
323.09781	1.0
379.12402	6.1
380.12741	0.4
397.13461	34.5
398.13779	2.7
415.14542	8.4
416.14902	0.7
456.24753	0.3
589.24713	0.4
597.24628	0.3
607.25922	0.6
675.35883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.0
68.99829	0.2
69.03439	0.9
70.38900	0.6
71.01380	12.3
72.99303	1.0
73.02940	1.9
79.95733	0.3
80.02684	1.0
81.03450	1.9
83.01385	1.6
83.05026	5.0
84.02161	1.0
85.02954	3.5
87.00878	3.3
89.02442	11.6
90.02774	0.3
91.04034	0.3
93.03459	0.4
95.01428	1.0
95.05006	1.0
97.02971	2.1
99.00864	0.8
101.02440	9.7
102.02788	0.3
106.04195	0.2
109.06600	0.3
111.00903	0.4
111.04518	0.4
111.08159	0.2
113.02446	5.5
115.03989	0.5
119.03504	2.7
123.00869	0.4
125.02443	5.7
125.06065	0.6
131.03491	0.5
132.45161	0.2
133.05061	0.3
135.08147	1.0
139.03941	0.3
143.03516	2.3
149.04533	0.7
157.68045	0.2
159.02852	0.2
161.04561	2.8
163.11298	4.6
165.12840	2.5
167.03477	0.5
169.05113	0.2
179.05608	4.3
181.12323	0.9
191.10684	1.0
199.06155	0.5
205.75296	0.2
209.11816	100.0
210.12173	5.2
217.07153	0.9
221.06607	1.6
227.12877	10.1
228.13251	0.5
235.08202	4.7
245.06743	0.2
251.12807	0.3
253.09296	0.9
259.08237	0.4
263.07693	0.5
269.06464	0.2
277.21710	40.1
278.22037	3.3
287.07660	1.5
287.16733	0.3
305.08829	1.9
323.09753	1.1
361.11411	0.4
379.12448	4.3
380.12784	0.4
397.13480	29.0
398.13879	2.2
413.18256	0.3
415.14529	7.0
416.14804	0.7
437.13309	0.2
589.24799	0.4
607.26184	1.1
632.92688	0.2
675.35663	0.3
885.47333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98513	0.2
71.01379	0.5
75.98650	0.1
78.95910	0.4
79.95700	0.2
80.96513	0.7
83.01423	0.1
85.02975	0.1
89.02471	0.2
94.98080	0.2
95.01444	0.1
97.02940	0.1
98.20635	0.3
101.02454	0.2
109.06578	0.4
125.02419	0.2
152.98546	0.1
152.99626	0.1
163.11310	0.2
191.05583	0.6
195.13947	0.1
207.10249	0.7
208.10535	0.1
209.11923	0.4
225.00853	0.3
225.11426	0.4
277.21646	0.6
278.22089	0.3
291.19623	0.1
293.21344	0.3
295.22607	0.1
397.13626	0.4
398.14145	0.1
415.14862	0.1
810.49890	0.4
811.49835	0.1
881.47015	0.1
884.47687	0.6
885.47009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.92326	0.1
62.98529	0.2
69.44529	0.1
71.01374	0.7
72.24538	0.1
72.76933	0.1
78.95907	0.2
78.98618	0.1
79.95732	0.2
80.96505	0.6
81.03452	0.1
85.02963	0.2
86.80408	0.1
88.24847	0.1
89.02450	0.6
97.02933	0.2
99.00853	0.1
101.02461	0.4
109.06589	0.3
110.06937	0.1
113.02482	0.2
125.02476	0.3
126.90373	0.1
132.77054	0.1
163.11327	0.2
164.98613	0.1
181.12222	0.1
191.05598	0.2
201.11406	0.1
207.10243	1.1
208.10602	0.3
209.11862	0.4
225.00830	0.2
225.11246	0.6
226.11636	0.2
277.21768	0.9
278.22025	0.4
312.24039	0.1
379.12347	0.1
397.13458	0.8
398.13580	0.4
415.14825	0.1
425.77145	0.1
449.36441	0.1
606.24774	0.1
635.05334	0.1
691.53796	0.1
813.65509	0.1
884.46844	0.8
885.46674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77025	0.1
61.98827	100.0
71.01385	0.2
78.95908	0.2
79.95757	0.1
80.96513	0.6
94.98100	0.2
117.83346	0.1
130.93271	0.1
132.39157	0.1
191.05684	0.1
209.11873	0.1
277.21719	0.2
297.12122	0.1
537.02094	0.1
550.67365	0.1
884.47064	0.2
885.48364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	10.3
69.03463	1.8
71.00126	1.2
71.01380	23.7
72.99310	1.9
73.02946	3.8
76.90845	0.5
80.02669	0.9
80.96564	0.5
81.03461	3.7
83.01385	3.0
83.05030	3.7
85.02950	6.6
87.00872	4.6
89.02441	18.6
93.03475	0.9
95.01383	2.0
95.05029	1.0
97.02954	11.1
99.00874	3.5
101.02441	14.8
106.04298	0.6
107.05039	1.4
109.02934	0.6
109.06586	37.6
110.03733	1.7
110.06943	0.7
111.00866	0.6
111.04537	0.6
113.02448	10.8
119.03494	4.6
121.06565	2.7
123.04504	0.9
125.02449	6.7
125.09705	0.8
131.03491	1.0
135.08165	4.5
136.05310	2.6
139.04013	0.6
141.01921	1.8
142.02686	2.6
143.03569	3.1
145.10139	0.9
161.04552	3.6
161.09695	2.6
163.11288	21.4
164.11554	0.9
165.09181	0.7
171.61073	0.6
173.14766	0.5
179.03470	0.5
179.04019	0.6
179.05585	5.5
179.10753	1.5
181.12315	5.3
189.09213	2.3
199.06189	0.6
207.10248	100.0
208.10587	5.1
209.11751	3.4
221.06665	3.3
225.11302	47.0
226.11624	1.9
233.22635	0.6
235.08214	5.3
241.84734	0.5
243.12378	1.9
249.11270	0.7
253.09290	0.8
255.23241	0.5
263.07629	0.9
277.21713	53.3
278.22034	5.1
281.13922	0.7
287.07785	2.2
299.14996	1.5
305.08801	1.7
323.09772	1.2
379.12421	5.9
397.13495	38.6
398.14017	2.9
415.14560	12.2
416.14957	1.1
441.33694	1.1
461.20825	0.6
485.32733	0.8
587.23212	1.5
605.24524	7.4
606.25470	0.6
623.25555	10.3
624.26080	1.1
865.45740	1.3
883.46918	51.0
884.47192	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	883.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	3.9
69.03459	2.1
70.46766	0.6
71.01377	28.1
72.99311	1.9
73.02940	4.4
75.00895	0.7
78.07353	0.6
80.02695	1.2
81.03452	2.6
83.01378	4.1
83.05008	3.0
84.02161	0.6
85.02950	7.3
87.00872	6.8
87.04490	0.6
87.90668	0.5
89.02441	20.2
93.03448	1.3
95.01378	3.0
95.05042	0.7
97.02951	15.6
97.06617	1.0
98.20733	1.7
99.00875	3.3
101.02441	18.1
104.38367	0.6
107.05038	1.7
109.06589	32.0
110.03712	1.6
110.06949	0.8
111.00921	0.8
111.04514	1.9
113.02443	13.3
113.03163	0.9
114.02783	0.6
119.03498	5.7
121.06585	2.0
123.04538	1.1
125.02444	7.5
125.06040	0.7
125.09709	0.9
131.03456	0.9
133.05070	0.9
135.08160	4.8
136.05324	2.1
139.04037	0.8
141.02014	0.8
142.02707	2.7
143.03503	3.5
145.10255	0.9
151.07632	0.8
161.04570	3.9
161.09767	1.9
163.11292	22.0
164.11609	0.9
165.09193	1.3
179.05602	6.0
179.10823	1.1
181.12349	5.0
189.09236	2.1
207.10257	100.0
207.96745	0.6
208.10579	5.8
209.11844	2.8
217.07060	0.8
221.06615	1.4
225.11314	34.2
226.11681	1.8
235.08224	6.2
243.12350	1.5
245.06485	0.6
253.09297	1.5
255.23436	0.9
263.07803	0.9
277.21710	72.4
278.22018	5.6
287.07721	2.0
299.14868	1.0
305.08652	2.1
323.09753	1.1
354.81586	0.6
379.12485	6.3
380.08084	0.6
397.13498	51.9
398.13684	4.1
403.20724	0.6
415.14566	13.3
416.15045	1.1
425.76346	0.6
427.46542	0.7
485.32788	1.3
523.37598	0.7
559.35876	0.8
587.23340	1.1
605.24341	7.5
606.25024	0.7
623.25604	4.0
675.35583	1.2
865.46735	0.9
883.46838	51.2
884.47089	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	883.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	19.7
62.87799	1.8
67.01880	2.2
69.03455	1.7
71.01379	99.9
71.05033	2.0
72.01722	1.8
72.99304	2.9
73.02933	5.8
78.40231	1.5
78.95910	3.6
80.02679	2.1
81.03475	3.9
83.01434	1.5
83.05035	7.6
85.02950	6.7
87.00874	6.8
89.02446	16.4
93.03452	5.7
95.01379	2.4
96.96008	12.8
97.02958	9.3
98.20763	3.9
99.00873	5.7
101.02442	13.5
109.06590	13.4
113.02428	9.4
118.03132	1.6
119.03499	5.1
125.02466	8.1
125.09684	2.6
135.04497	6.2
142.02698	2.4
143.03560	1.9
151.04126	2.1
161.02405	4.2
161.04520	3.0
163.11298	12.5
165.12878	3.1
169.01419	2.7
171.10257	15.3
173.04529	2.5
179.03488	2.6
179.05592	6.1
181.12343	6.9
189.09230	1.9
191.05609	31.4
196.31772	1.7
199.13374	5.3
201.11259	7.8
207.10243	38.7
208.10542	4.2
209.11812	100.0
210.12115	6.0
215.07033	4.5
221.06587	2.1
225.11299	44.3
227.12881	13.7
235.08174	2.5
243.12317	5.6
287.07761	2.2
331.11188	1.7
352.07993	2.6
397.13504	19.2
399.21661	1.8
415.14474	9.2
417.22961	2.5
431.92715	1.9
613.48688	1.6
623.25519	6.3
815.36792	2.9
833.38092	9.2
834.38763	4.2
851.39136	4.7
883.42487	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	882.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.12014	0.2
68.99540	0.3
70.73021	0.6
71.01377	0.7
79.95755	0.5
80.96515	1.9
87.00906	0.3
87.13416	0.3
89.02473	0.6
94.98084	0.3
96.96031	0.3
101.02417	0.3
111.54137	0.2
125.02448	0.4
200.00203	0.2
207.10239	0.4
221.40717	0.3
223.13405	1.3
224.13802	0.5
225.00693	0.3
225.11276	0.5
235.08313	0.4
237.23988	0.3
255.23470	0.3
259.12439	0.2
277.21634	1.6
278.22162	0.6
280.28973	0.3
327.21973	0.4
397.13708	0.8
398.13858	0.4
505.49673	0.3
738.79492	0.3
882.50378	0.5
883.45538	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	882.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.08429	0.2
71.01382	0.3
73.01875	0.2
78.95921	0.2
79.95773	0.2
80.96524	0.6
93.62783	0.1
101.02433	0.2
123.82265	0.1
126.90470	0.5
171.10329	0.3
185.08315	0.1
207.10359	0.4
225.11340	0.2
235.08252	0.3
253.09352	0.5
262.39792	0.2
277.21732	2.1
278.21967	0.2
290.18759	0.2
291.19580	0.2
309.20663	0.2
327.21771	1.2
481.63019	0.2
715.27338	0.2
765.01996	0.2
882.49512	0.2
883.46539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	33.5
65.07327	0.3
66.26443	0.3
68.60962	0.3
69.03438	1.1
69.18607	0.6
69.19019	2.1
71.01379	2.6
72.99306	0.4
73.02946	0.4
80.02673	1.0
81.03465	1.0
83.01414	0.5
83.05022	4.1
84.02148	0.7
85.02940	1.0
87.00880	0.4
88.98799	0.5
89.02449	2.1
89.33341	0.3
92.92824	0.3
93.03458	0.5
95.05029	0.7
96.95999	0.3
101.02437	2.8
112.51702	0.3
113.02454	1.4
116.92855	0.3
119.03502	0.5
125.02454	0.4
125.09726	0.3
135.08076	0.3
142.54326	0.3
145.05159	0.3
161.04503	1.1
163.11278	2.9
165.12857	2.0
167.10789	0.9
167.14445	0.3
171.10355	0.6
179.05620	0.7
179.10789	0.4
179.14502	0.6
181.12402	0.6
183.13885	3.8
191.05589	1.5
191.10728	0.6
193.12320	1.1
195.13890	2.0
199.13315	0.4
205.12318	1.4
207.10257	0.4
209.11812	100.0
210.12157	5.2
211.13374	64.4
212.13704	3.7
223.13365	7.6
224.13649	0.4
227.12872	14.8
228.13148	0.7
235.08183	2.7
239.12852	1.0
249.14853	0.3
253.09262	7.9
254.09747	0.3
273.16983	1.6
280.46872	0.3
292.93762	0.4
351.47998	0.3
397.13483	1.0
421.25552	0.4
429.21356	0.9
445.20703	4.4
446.21075	0.5
447.22281	2.4
448.23267	0.3
463.21933	0.5
621.33252	1.3
639.33838	1.2
640.34717	0.3
785.79669	0.4
813.99060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	21.6
69.03442	3.8
69.32685	0.9
71.01381	25.2
71.05016	1.1
71.53278	1.0
72.99303	1.3
73.02951	4.3
75.00864	1.5
78.95899	1.9
79.95714	2.0
80.96519	7.8
81.03440	1.7
83.01385	2.5
85.02949	6.3
87.00874	5.1
89.02448	18.0
94.98072	1.6
95.01381	2.3
95.05010	1.2
96.28006	0.8
97.02939	4.0
99.00879	1.3
99.92558	1.3
101.02451	18.2
111.04499	1.3
113.02448	10.6
116.92857	1.6
119.03488	4.5
125.02451	7.7
143.03502	1.9
151.46254	0.9
158.93909	1.0
159.03000	1.1
161.04556	5.6
164.98586	1.6
167.10733	2.2
171.10287	1.5
179.05568	6.0
179.10692	1.1
179.14378	3.9
195.13881	8.4
205.12292	10.5
209.11765	1.3
221.06627	2.1
223.13390	100.0
224.13696	6.5
225.00665	2.1
231.84244	0.9
235.08237	6.9
253.09283	2.0
255.23277	1.8
277.21710	70.3
278.22116	6.5
287.07648	1.8
293.21210	1.2
305.08704	2.8
323.09732	1.5
362.48840	0.9
379.12466	6.4
397.13492	59.8
398.13797	5.5
415.14633	13.6
496.78336	0.9
603.26563	5.4
621.27167	4.4
675.36151	2.3
881.49335	12.3
882.49640	2.5
913.56476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68836	0.6
61.98836	0.9
63.96244	2.4
66.14790	0.5
69.03459	0.9
71.01384	9.5
73.02956	1.9
78.98596	7.8
79.95735	19.7
80.96518	89.2
83.01355	0.8
84.96271	0.6
85.02505	0.6
85.02943	3.2
87.00865	3.7
91.07378	0.6
94.98090	20.6
96.96022	2.0
97.02969	1.8
99.00878	1.0
101.02441	2.6
106.98058	3.9
113.02454	0.7
122.97580	3.5
125.02447	4.1
127.04041	1.0
134.97592	6.0
136.99167	1.6
139.55176	0.7
148.99127	7.6
152.98631	7.0
164.98628	16.5
206.99661	2.7
213.75484	0.7
225.00739	25.9
226.01118	0.9
234.31007	0.6
255.23239	2.1
283.05020	1.4
341.05313	0.6
345.02576	0.7
537.27789	1.2
623.27509	1.9
709.38092	1.7
781.40784	0.7
861.46985	0.8
879.51361	100.0
880.51648	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4012
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98829	6.6
69.03455	7.2
71.01379	19.3
71.05025	2.5
72.99317	1.7
73.02938	4.1
74.31622	0.9
74.80693	1.1
80.02657	2.2
80.17638	1.0
81.03448	2.9
83.01376	2.2
83.05010	8.2
84.02176	1.2
85.02953	4.8
87.00857	4.2
88.98798	2.6
89.02439	12.0
93.03454	3.8
95.01367	1.1
97.02943	3.5
98.19876	2.8
99.00871	1.3
101.02440	10.8
108.02098	1.0
109.02937	1.1
109.06692	1.3
109.54118	1.1
111.04509	2.3
113.02434	5.2
114.09654	1.2
116.92905	1.1
119.03473	3.9
123.00885	1.6
123.08129	2.2
125.02450	4.9
125.06075	1.4
125.09686	2.9
127.03998	1.1
135.04549	1.4
149.79366	1.0
151.11247	3.5
153.12828	1.4
161.04581	1.5
161.09695	4.3
163.11240	4.9
165.12839	3.1
169.01468	3.0
173.04445	1.0
179.10754	7.2
191.05620	11.4
191.10756	1.2
192.05824	1.2
197.11818	63.7
198.12181	4.0
209.11815	71.4
210.12146	3.8
221.06599	2.9
227.12849	3.9
229.62517	1.3
241.10838	5.4
247.02560	1.1
301.00128	1.2
344.15457	1.2
357.32846	1.0
397.13254	2.5
449.14938	1.2
587.31189	1.4
849.37616	100.0
850.37885	20.0
881.40271	43.2
882.40594	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	879.513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11351	1.5
61.98830	17.9
69.30533	1.6
71.01370	15.0
73.02937	1.6
78.93690	1.6
80.96536	2.1
83.01383	3.0
85.02954	3.7
87.00861	3.1
89.02442	8.7
95.05077	1.8
96.90842	1.4
97.02961	1.7
100.79345	1.7
101.02460	10.7
113.02448	4.8
123.00820	1.7
125.02423	2.4
125.09703	1.9
135.94843	1.9
137.09668	1.6
158.02243	1.6
161.04529	3.0
163.11302	3.7
171.10246	15.8
179.05667	3.2
185.11775	2.8
190.97484	1.5
191.05547	2.0
191.14395	3.7
194.57303	1.6
195.13901	6.6
199.13297	1.6
201.11292	3.2
207.10193	5.3
209.11778	8.6
211.13364	1.8
223.13409	6.0
225.11252	6.7
235.08228	3.5
237.11330	2.8
245.19142	8.8
253.09276	22.1
255.23233	21.9
256.23581	2.9
275.20126	5.2
289.18127	45.6
289.21408	2.7
290.18384	3.4
293.21210	100.0
294.21545	9.2
307.19147	37.1
308.19479	3.5
379.12491	2.8
397.13446	12.4
398.14148	1.6
415.14612	2.9
437.25522	1.7
458.35123	2.0
472.24759	1.8
499.32877	1.6
545.45520	1.5
571.28192	1.6
665.28540	1.6
861.48688	2.0
879.48846	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	879.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.6
62.95910	0.6
63.96241	2.5
71.01376	10.2
72.99254	0.8
73.02950	1.9
78.95898	0.6
78.98592	8.4
79.95733	25.1
80.96513	100.0
85.02938	3.7
87.00873	3.9
94.98084	23.0
96.96011	1.8
97.02956	3.1
99.00860	1.1
101.02432	2.6
106.98078	3.9
113.58089	0.6
122.97585	5.8
125.02469	3.8
127.03955	0.9
132.74966	0.7
134.97574	8.1
136.99121	2.1
148.99141	8.3
152.98624	6.5
161.04604	0.6
164.98608	15.5
166.60069	0.6
167.00139	0.8
179.00249	1.0
206.99683	3.4
225.00722	22.9
226.01027	0.7
255.23285	2.0
283.05072	1.2
367.55356	0.6
476.63284	0.7
537.26593	1.2
623.27704	1.3
709.38568	5.3
735.40118	1.2
781.39563	1.0
879.51257	94.2
880.51550	23.5
880.69000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	13.1
63.96227	1.9
69.03456	1.3
69.63387	3.2
71.01379	10.6
73.02940	1.9
78.98585	8.1
79.95240	0.6
79.95731	48.2
80.96511	100.0
81.03440	1.3
83.01331	0.5
85.02953	3.9
87.00884	3.4
94.98080	22.9
95.01350	0.6
96.96014	2.4
97.02959	2.6
98.20673	0.5
99.00892	0.7
101.02429	3.1
106.98083	4.7
112.79859	0.5
113.02412	0.7
122.97585	9.5
125.02425	3.7
127.04031	0.8
134.97566	6.6
136.27620	0.5
136.99127	2.3
148.99135	8.0
152.98618	8.1
152.99759	0.8
161.04480	0.7
164.98618	16.5
167.00172	0.8
171.10271	1.8
179.00153	0.7
206.99670	4.3
225.00713	26.7
241.00204	1.3
255.23337	3.2
255.25555	0.6
283.04834	1.2
299.04102	0.6
341.05347	2.1
397.11298	0.7
425.14792	2.5
453.14166	2.0
454.14883	0.6
535.23615	0.6
537.27332	4.8
579.28772	0.6
609.29010	1.0
637.32159	1.4
679.37201	1.0
709.38306	56.5
710.38434	11.9
735.39282	1.4
737.41559	4.9
763.39746	0.9
765.41327	6.0
766.41022	1.1
775.10791	0.6
781.40405	5.4
782.40729	0.8
879.48486	36.7
880.48785	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	879.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.9
63.71382	0.6
63.96230	2.3
70.33627	0.6
71.01388	10.4
73.02929	2.3
78.98590	7.6
79.95364	0.6
79.95731	39.5
80.96514	100.0
81.03484	0.7
85.02954	4.7
87.00868	3.3
94.98083	22.7
96.96011	2.8
97.02940	2.2
99.00917	1.2
101.02448	2.9
106.98086	4.5
122.97575	6.0
125.02422	3.9
127.04032	1.0
134.97598	7.9
136.99120	1.8
145.60674	0.5
146.51720	0.6
146.97620	0.7
148.99117	7.5
152.98631	8.1
155.54767	0.6
159.06433	0.5
161.04570	0.6
164.98624	15.5
167.00172	0.7
169.59448	0.6
171.10286	1.1
182.99742	0.6
206.99684	3.4
225.00728	26.1
241.00244	0.9
253.67322	0.6
255.23274	2.5
283.04886	1.5
341.05447	1.6
354.98508	0.6
370.06046	0.6
411.13129	0.6
425.14740	1.2
453.14273	1.5
537.26978	2.8
579.28217	0.6
609.28998	0.9
623.27655	1.2
709.38330	34.0
710.38409	5.7
735.39740	1.1
737.40533	2.3
765.40955	3.5
766.41370	1.1
769.96161	0.6
781.40454	3.8
782.40411	0.6
788.45007	0.7
879.50830	63.4
880.51111	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	874.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	10.9
71.01385	1.2
73.02929	0.5
85.02979	0.7
90.65016	0.4
97.55591	0.4
98.20752	0.9
101.02417	0.4
101.52230	0.4
109.02933	0.4
113.02473	0.9
117.03472	0.5
121.02975	0.5
132.02158	0.9
133.02954	20.4
134.03697	1.4
135.04529	11.2
136.04907	0.5
137.02431	0.9
149.06052	0.6
161.02437	100.0
162.02788	4.0
175.04033	1.5
179.03493	10.6
189.05397	0.5
203.03470	2.8
323.07697	53.3
324.08017	5.0
487.34265	41.4
488.34583	7.2
535.56073	0.5
811.42694	59.1
812.43060	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	877.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.8
67.01900	0.4
69.03452	4.3
69.15771	4.2
71.01379	13.5
71.05013	0.9
72.99299	1.6
73.02940	2.6
75.00887	0.5
81.03428	0.6
83.01379	2.1
85.02947	3.5
87.00877	2.1
89.02444	8.3
95.01408	0.9
97.02923	2.3
99.00896	0.6
101.01791	0.7
101.02440	8.8
108.02189	0.4
113.02434	4.0
119.03479	1.8
123.08146	1.2
125.02428	2.4
125.09693	1.6
137.09662	0.5
137.54208	0.4
143.03514	0.7
151.11197	2.1
153.12811	1.0
161.04521	1.6
161.09711	3.0
162.99394	0.4
179.10762	5.5
185.04509	0.4
197.11816	34.2
198.12201	1.9
221.06633	1.3
223.09872	0.7
224.86795	0.4
235.08063	1.2
241.10886	2.4
255.23264	48.7
256.23611	3.8
397.13437	2.1
474.44608	0.4
695.69403	0.5
779.86163	0.5
859.46198	0.6
877.47931	100.0
878.48212	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	56.7
68.79206	11.7
68.99561	26.5
71.50497	13.8
71.52655	24.4
74.32372	13.9
108.95660	12.1
114.93466	24.2
116.92870	58.3
124.95229	14.4
138.71716	12.6
179.25258	11.9
197.11778	58.6
253.09447	24.2
291.19797	18.2
309.20679	100.0
311.22849	13.6
340.48212	13.6
453.65848	16.5
529.11426	13.6
545.30078	21.0
781.40857	15.6
873.47137	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	873.513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.58071	24.8
78.95923	13.3
96.96080	10.6
106.88750	9.9
116.92870	15.2
132.29402	11.8
136.83475	11.1
140.82141	10.2
157.45038	10.4
188.67810	9.9
199.19481	11.1
235.08167	24.8
253.09212	16.8
277.21649	94.3
341.23215	73.3
589.27191	12.8
873.50482	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	13.4
66.83549	0.7
71.01389	1.6
71.53793	1.1
73.02886	0.9
78.95924	1.1
85.02932	1.5
87.31549	0.9
89.02453	1.0
96.96034	1.5
109.02973	0.7
113.02451	1.6
132.02153	1.1
133.02956	18.0
134.03709	1.2
135.04532	12.6
137.02448	1.5
145.66139	0.8
161.02435	100.0
162.02791	3.1
168.03310	0.9
169.01421	0.9
175.03966	1.5
179.03493	10.6
191.05620	2.8
203.03522	1.8
207.10272	1.1
209.11819	1.7
270.71341	0.8
323.07675	46.9
324.08118	2.6
487.34256	32.1
488.34634	4.4
599.66473	1.1
811.42719	55.4
812.43085	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	873.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	10.1
67.01896	0.9
69.03484	0.5
69.31464	3.6
71.01015	0.5
71.01384	8.4
71.05017	0.4
72.99306	0.5
73.02939	0.6
83.01386	0.5
85.02956	1.7
87.00875	0.7
89.02444	1.7
93.03464	5.2
98.19841	0.8
99.00921	0.6
99.95473	0.4
101.02443	1.9
103.05547	0.4
111.04534	1.0
113.02456	0.5
115.04008	0.5
115.05571	2.1
119.05027	1.0
125.02507	0.5
131.05029	6.4
133.02933	0.7
133.05092	1.2
133.06592	3.2
134.03772	0.5
135.04532	1.1
137.38181	0.4
143.03551	0.5
143.05029	0.6
145.06569	3.7
147.04518	40.7
148.04863	1.9
161.06073	58.6
162.06410	2.6
165.01883	0.6
173.04550	2.4
173.06049	1.3
179.03549	0.7
189.05553	13.1
190.05896	0.8
191.05609	7.0
199.04050	0.6
219.06575	0.8
249.07596	0.7
255.03001	2.0
271.02664	0.5
283.02451	1.2
284.03104	0.5
287.32135	0.4
300.02725	0.9
301.03351	0.5
425.14505	100.0
426.14893	10.8
436.99863	0.5
447.09232	1.2
449.14468	5.4
888.50214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.3
69.03438	0.9
69.69070	5.6
71.01369	5.1
75.13601	1.0
85.02955	8.5
87.00863	2.5
89.02445	3.6
93.03458	5.6
95.01374	1.6
97.02982	1.6
107.01389	14.8
109.02958	2.0
111.04517	3.0
119.05035	1.5
123.00857	1.9
125.02444	51.5
126.02798	2.1
127.04009	2.7
133.02959	1.7
135.04544	7.4
137.02466	1.3
139.00406	1.8
149.04539	1.5
150.03188	1.2
155.03441	2.2
161.02452	2.4
169.01413	96.2
170.01804	2.8
173.04462	5.9
179.03537	2.0
190.02913	1.2
191.05609	99.3
192.05959	5.2
229.01585	1.7
233.06653	2.7
249.04019	1.9
273.00214	1.4
275.01913	3.2
293.08719	3.5
300.99924	5.0
325.05710	1.4
335.07654	1.4
343.06680	100.0
344.07062	6.4
352.07947	2.1
353.08572	5.0
380.69247	1.0
391.05865	1.0
428.47229	1.3
505.09833	29.9
506.10205	4.2
614.04706	1.3
774.80756	1.1
851.22583	1.1
873.23004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99299	0.4
61.98837	0.6
61.99874	0.3
63.58772	0.2
67.01890	1.8
69.03458	0.9
71.01384	2.2
71.53249	0.3
72.99300	0.4
73.02945	0.5
74.67008	0.2
78.95919	0.3
81.03439	0.8
83.05038	0.9
85.02947	13.7
86.23634	0.2
87.00874	4.6
89.02449	0.5
91.64034	0.2
93.03451	14.8
94.03772	0.4
96.96017	0.3
99.00887	0.5
99.04502	0.6
101.02460	0.3
108.02155	0.3
109.02937	2.6
109.08717	0.3
111.04521	2.8
113.02432	0.5
123.00877	0.5
125.02447	0.9
127.04010	3.6
133.02950	0.7
134.03740	0.8
135.04512	9.5
137.01460	0.5
137.02437	5.6
145.02917	0.8
147.04475	0.3
149.02437	0.3
150.03200	0.7
150.41264	0.3
151.00319	0.4
151.27368	0.3
153.01938	0.4
155.03529	0.8
159.04506	0.9
161.02403	0.8
161.06038	0.5
165.01857	0.6
165.05548	0.7
166.02664	0.7
169.01437	0.8
170.49738	0.2
171.03008	0.7
173.04532	3.2
177.01912	0.3
179.03510	0.9
180.04245	0.3
181.05099	0.7
191.05598	100.0
192.05940	3.6
195.06615	0.3
238.01700	0.2
267.06573	0.4
275.02011	0.5
279.06860	0.4
281.08261	0.4
291.06717	0.4
300.99887	1.2
301.03082	0.3
305.08395	0.3
353.08655	0.6
399.12198	0.3
427.11826	1.4
442.14032	2.1
447.09311	0.6
457.16510	4.1
458.16815	0.7
483.14355	1.0
501.15652	0.6
542.68433	0.3
663.20422	1.3
675.20569	0.9
681.21729	1.3
735.25549	0.8
855.27112	9.5
856.27679	2.1
873.28143	16.5
874.28662	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	871.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	3.3
64.92514	0.9
69.03440	1.5
71.01382	15.2
72.99286	1.8
73.02937	2.0
78.95866	1.0
81.03490	0.9
83.01390	2.1
83.05024	1.4
85.02935	3.5
87.00873	3.0
88.77230	0.9
89.02439	12.7
92.48064	0.8
95.01402	1.4
95.05029	1.6
97.02926	2.5
97.06591	5.9
98.19872	2.8
101.02440	11.0
107.56792	0.8
111.53697	0.9
113.02431	3.1
116.92857	2.6
119.03478	2.8
121.39922	0.9
125.02418	3.9
125.09673	0.9
128.17792	0.8
132.29137	1.0
141.01851	1.2
151.11299	11.0
161.04593	1.6
169.12338	42.5
170.12686	1.6
179.05554	1.3
190.80721	0.9
191.05608	2.2
195.10248	1.8
199.62744	1.0
213.11337	7.1
221.06654	1.3
221.11699	0.8
227.13087	0.9
229.85329	1.1
234.22926	0.9
235.08272	1.6
243.07574	0.9
253.09392	1.7
277.21698	36.4
278.22034	2.8
293.21341	1.5
397.13522	4.0
399.89008	1.1
415.14661	1.5
439.14114	0.9
501.52338	0.9
593.24725	1.9
611.25104	2.0
871.46930	100.0
872.47083	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	871.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.9
64.41713	0.4
68.13593	0.4
69.03452	0.4
71.01373	2.6
73.02934	2.0
73.14870	0.4
78.95882	0.8
80.96494	0.5
81.03477	0.6
82.95419	0.6
83.01392	0.6
83.05019	1.1
84.64494	0.4
85.02940	2.3
87.00878	1.3
89.02425	1.9
95.05013	0.5
96.95979	2.1
97.02921	0.7
97.06589	1.2
99.00900	0.5
99.92580	12.3
100.92578	0.7
101.02465	2.1
101.53172	0.4
111.08154	1.3
113.02440	1.4
114.93401	0.8
116.92859	100.0
117.01933	2.8
117.92870	5.5
123.04585	0.6
125.09698	1.2
137.09727	0.8
161.02393	0.7
161.04543	1.0
163.11232	1.0
165.12793	0.7
169.01440	0.6
171.10245	4.2
183.13879	1.0
185.11877	1.2
191.05659	1.3
191.14449	0.9
196.32433	0.4
197.11832	7.7
207.10306	0.7
209.11821	14.6
210.12209	1.2
211.13338	3.7
221.11873	0.6
227.12920	1.8
229.14439	1.8
235.08131	1.0
245.19063	2.4
253.09293	5.5
263.20062	0.7
288.97290	0.4
289.18109	6.2
290.18411	0.8
291.19849	2.9
293.21259	2.0
307.19098	6.1
308.19513	0.6
309.20688	4.9
327.21780	18.0
328.22046	2.0
344.77048	0.4
350.57214	0.5
397.13913	0.6
447.96503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	3.3
63.71169	0.7
68.99574	9.2
69.03461	1.5
70.54093	1.0
70.54455	2.2
71.01383	14.4
72.99303	0.9
73.02929	2.8
73.84873	0.8
78.00922	0.7
78.95889	0.8
81.03450	0.9
81.50210	0.7
83.01373	2.1
83.04949	0.7
85.02951	4.8
85.32771	0.7
87.00878	3.0
89.01936	1.0
89.02446	12.9
97.02940	1.5
97.06564	2.9
99.00845	1.3
99.92619	0.8
101.02439	10.0
112.98559	5.6
113.02437	5.6
116.92850	2.7
119.03536	3.5
125.02444	3.2
143.03473	1.2
151.11281	12.2
152.11716	1.0
161.04532	2.1
164.89410	0.7
169.12338	69.1
170.12738	3.6
179.05511	0.9
185.11813	0.9
191.05670	1.8
195.10312	1.1
213.11301	10.2
221.06656	4.8
235.08163	1.7
253.09160	1.9
273.39014	0.7
277.21710	20.9
278.21924	2.3
293.21371	3.7
305.17581	2.1
309.20749	1.5
341.23181	1.9
343.24536	1.3
397.13391	3.8
415.14752	1.5
426.49841	0.8
517.44574	0.8
611.25568	3.5
871.46924	100.0
872.47217	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
68.57130	0.2
69.59416	0.2
70.99545	0.4
78.95900	0.3
79.95753	0.3
80.96519	0.4
86.25684	0.2
159.40120	0.2
171.10283	0.4
172.10724	0.2
221.07332	0.2
256.23666	0.2
277.21725	0.5
278.22012	0.3
397.13354	0.4
478.51971	0.2
497.84958	0.2
796.50549	0.3
870.47449	0.3
871.47583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49728	0.4
65.08757	0.4
65.76357	0.4
67.01903	0.6
69.03468	0.6
71.01379	1.5
71.52692	0.7
71.53028	0.5
85.02952	7.0
87.00871	2.0
93.03456	5.1
105.98035	0.4
108.02106	0.6
109.02904	2.5
111.04511	2.5
114.60231	0.4
119.05014	0.9
120.40536	0.4
123.04507	0.7
127.04008	1.4
133.02953	1.4
134.03711	1.4
135.04523	52.0
136.04836	1.8
137.02449	1.2
145.02942	0.5
155.03526	0.8
161.02432	4.5
163.04060	0.7
169.01448	1.3
171.02975	0.7
173.04539	9.4
174.04926	0.5
178.84775	0.5
179.03497	5.5
191.05602	100.0
192.05968	4.7
193.06087	0.9
226.06320	0.6
241.04959	0.7
242.05867	1.0
243.06720	1.0
255.10286	0.9
271.09616	0.5
300.99860	0.6
337.09180	0.8
353.08749	10.5
354.09137	0.8
371.09793	29.0
372.10211	2.6
505.11383	0.7
517.13092	0.5
533.12982	26.7
534.13287	3.2
709.18451	0.7
850.16638	0.5
853.21387	0.6
871.22620	5.6
872.23700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.7
69.03438	2.1
71.01376	7.1
72.99309	0.6
73.02935	2.2
75.01888	0.6
75.22507	0.5
78.95906	5.6
79.95734	1.3
80.91680	0.7
80.96527	0.6
83.01392	1.0
83.05003	2.1
84.01720	0.6
84.02153	3.1
85.02946	2.3
87.00889	1.6
89.02448	4.1
95.01366	0.7
95.04998	0.6
96.96011	23.2
96.96937	5.7
97.02955	2.1
97.06593	6.8
98.19837	1.3
99.04477	0.9
99.92589	2.9
101.02447	5.4
109.06572	1.5
111.08162	8.1
111.51133	0.5
113.02451	3.6
114.93388	0.6
116.92856	26.1
117.01951	0.7
117.92853	1.0
119.03526	1.1
125.02407	0.8
125.09696	1.7
127.07670	0.8
128.03543	0.8
137.09708	0.9
143.03471	0.8
145.05081	0.8
146.04559	0.9
149.13239	0.6
150.54207	0.6
151.11328	1.2
153.12875	0.7
155.10637	0.7
161.04553	2.9
165.12860	1.0
167.10765	0.7
169.01413	0.6
169.12302	4.8
171.10269	13.7
179.05577	1.6
181.12296	0.8
183.13866	0.9
191.05551	2.0
193.12303	9.7
197.11827	38.2
198.12132	2.2
199.13319	2.8
201.11388	0.6
207.10310	0.7
209.11800	1.4
211.13377	8.2
212.13824	0.9
221.11658	0.7
225.14935	16.2
226.15340	0.7
227.12912	1.6
229.14906	0.5
235.08145	2.1
243.16042	6.7
244.16344	0.8
253.09271	31.7
253.14621	1.0
254.09860	1.0
263.20267	2.7
265.17981	1.0
266.47763	0.7
273.18570	0.9
289.18076	0.8
291.19659	15.7
292.19855	1.1
293.21313	1.3
309.20697	64.1
310.21085	6.0
323.22354	0.8
341.23291	100.0
342.23630	8.4
433.20901	1.0
527.28674	1.0
545.30011	1.6
577.32184	3.4
633.43579	5.4
634.43903	1.0
869.51471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	49.1
65.81069	1.5
71.01378	8.3
71.43978	2.7
78.95912	3.4
78.98612	4.5
79.95735	39.8
80.96516	73.8
85.02966	2.2
87.00889	2.5
94.97678	1.3
94.98095	15.8
96.96008	1.8
97.02950	2.1
101.02448	3.9
106.98078	5.2
122.06725	1.4
122.97557	3.9
125.02440	4.2
126.59935	1.5
130.00017	1.5
134.97609	7.4
144.49675	1.4
148.99115	5.6
152.98613	8.0
161.04544	2.6
164.98627	12.5
187.19650	1.8
191.05492	1.7
206.99593	2.5
211.13405	7.3
225.00714	21.7
250.60255	1.6
277.21741	4.8
283.04886	4.7
341.05386	1.7
355.07126	2.5
575.25513	3.1
661.28625	1.9
795.49335	3.4
869.47241	100.0
870.47467	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	5.0
62.40895	0.7
68.99539	0.8
69.03431	2.0
70.72743	2.0
71.01376	7.5
71.46825	0.7
73.02942	1.8
78.95901	3.2
80.91674	2.7
83.01399	0.9
83.05017	1.4
84.02190	3.3
85.02952	2.2
87.00868	1.6
89.02441	5.5
95.01381	1.2
95.05006	1.0
96.96010	6.1
96.96972	1.9
97.02963	1.5
97.06588	8.0
98.95574	0.9
99.04506	1.2
99.41190	0.6
99.92574	1.7
101.02433	6.7
109.06606	1.1
111.08161	8.9
112.98525	1.1
113.02457	3.6
116.92863	10.7
117.92820	0.7
119.03497	1.2
123.08142	0.8
125.02442	1.2
125.09701	2.2
127.07661	0.8
127.11246	0.8
128.03528	1.1
135.08124	0.7
137.09720	1.3
145.06160	1.1
146.04634	1.3
151.11252	1.3
153.09169	1.3
153.12810	0.7
161.04591	3.6
163.11235	1.0
165.12805	1.5
169.01308	0.8
169.12360	3.9
171.10258	15.7
177.12852	0.8
179.05557	1.1
181.12338	1.3
183.13820	1.2
185.11768	0.9
191.05595	3.8
193.12302	9.8
195.13879	1.0
197.11813	48.6
198.12183	3.6
199.13365	2.6
209.11862	3.2
211.13379	11.5
221.11758	1.3
223.13448	0.8
225.14937	13.1
226.15314	0.7
227.12877	2.2
235.08272	3.9
243.15956	7.4
253.09279	30.8
253.14508	1.0
254.09715	1.7
263.20178	1.9
265.18115	1.8
273.18768	0.8
289.18030	1.6
291.19659	17.3
292.19934	2.0
293.21252	2.6
296.23407	0.6
305.17819	0.8
307.19028	0.7
309.20703	67.1
310.21072	6.7
323.22327	1.5
325.20230	1.3
327.21786	2.7
341.23303	100.0
342.23648	9.2
342.27505	1.1
357.22833	2.2
397.13684	0.8
433.20526	0.8
457.66708	0.7
545.29523	2.9
577.32452	2.7
610.78851	0.8
633.43835	4.8
634.44330	1.7
812.11597	0.9
869.51654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98536	0.1
80.96511	0.2
94.98142	0.1
97.87737	0.1
98.19953	0.2
101.13244	0.1
135.79388	0.1
144.92053	0.1
225.00764	0.1
449.06705	0.1
643.50909	0.1
868.50684	0.3
869.48102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55121	0.4
67.01865	0.5
69.29996	1.7
69.30424	2.4
71.01398	1.1
72.13832	0.4
77.05515	0.5
81.03452	0.5
83.05029	0.6
85.02946	6.7
87.00871	1.8
92.61391	0.5
93.03449	4.0
96.96032	0.7
106.20849	0.5
107.05013	0.9
107.09013	0.4
109.02948	1.6
109.91174	0.5
111.04522	1.6
125.02456	0.6
127.03979	1.7
133.02937	1.7
134.03720	1.9
135.04518	39.0
136.04851	1.8
150.03212	0.5
155.03468	1.0
161.02408	4.8
169.01350	0.8
171.03021	0.6
173.04536	5.1
179.03488	34.9
180.03836	1.8
191.05598	100.0
192.05937	4.1
193.06166	0.5
224.38287	0.4
283.35873	0.5
288.73090	0.5
300.99680	0.5
335.07581	0.5
339.04825	0.5
339.29868	0.5
345.15607	0.5
353.08749	80.6
354.09094	8.7
355.09109	0.8
469.13068	0.5
515.11957	5.9
516.12091	1.1
588.82208	0.5
702.36633	0.5
750.51917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98546	0.2
69.36979	0.2
69.37392	0.5
70.21825	0.1
71.01409	0.1
73.75207	0.1
79.95735	0.1
80.96514	0.2
89.02433	0.1
104.10183	0.1
104.41410	0.1
126.76865	0.1
153.48587	0.1
180.04721	0.1
200.47656	0.1
211.13388	0.5
240.56541	0.1
244.93245	0.1
277.21695	0.3
282.96252	0.1
397.13681	0.3
491.04004	0.1
747.74792	0.1
869.47980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.93011	0.2
69.80115	0.6
69.80533	0.3
71.01398	0.2
71.61078	0.2
78.95923	0.2
79.95728	0.4
80.96507	1.6
81.58535	0.2
94.98097	0.3
98.20583	0.3
124.45062	0.2
128.52235	0.2
190.25221	0.2
193.54590	0.2
207.32611	0.2
225.00771	0.3
249.75749	0.1
326.43637	0.2
361.55554	0.2
504.90265	0.2
868.50745	0.7
869.47748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.5
69.03460	0.7
71.01376	9.0
71.18262	1.2
80.02676	1.2
81.03448	2.3
83.01399	1.3
83.05027	5.4
84.02177	0.7
84.05373	0.5
85.02969	2.7
85.66892	0.5
87.00862	2.4
88.98784	0.9
89.02450	8.0
93.03454	2.9
95.01424	0.7
95.05042	1.1
97.02956	1.7
98.88389	0.5
99.12138	0.5
101.02432	6.0
109.06600	0.6
113.02449	3.6
119.03515	2.7
125.02440	3.0
135.04497	1.2
135.08121	0.7
143.03510	1.3
161.04565	2.3
163.11290	4.0
165.12863	2.3
171.10191	1.3
173.04488	1.3
179.03467	0.6
179.05592	2.5
181.12352	0.7
186.73549	0.7
191.05624	8.4
191.10793	1.2
201.11304	0.8
209.11824	100.0
210.12151	7.0
221.06618	0.6
225.11188	0.8
227.10733	1.2
227.12889	17.6
227.15163	0.9
235.08223	2.3
251.12885	0.6
259.08466	0.5
259.15369	0.9
265.80197	0.6
287.07974	0.8
305.08725	0.6
323.10004	0.7
352.76703	0.6
379.12201	3.3
397.13510	20.6
398.13828	1.8
415.14392	5.8
446.81580	0.6
449.14600	1.8
478.66119	0.6
607.26190	2.2
761.24023	0.5
799.38110	0.9
867.37097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	17.1
70.20101	0.9
71.01385	18.2
71.52087	1.1
72.99311	1.4
73.02932	2.6
78.95900	3.3
79.95741	2.9
80.96511	8.3
81.03449	1.7
83.01398	2.0
85.02948	3.7
87.00876	5.2
89.02445	17.3
94.98096	2.3
95.01368	1.1
97.02937	4.1
101.02443	13.5
105.18018	0.9
111.04507	1.1
113.02449	7.7
116.92857	1.9
119.03490	3.7
125.02442	7.2
125.09697	0.9
127.11295	1.1
143.03522	2.1
148.99179	1.1
161.04535	3.9
164.98672	1.7
165.06674	1.1
171.10265	100.0
172.10590	4.3
179.05559	4.2
221.06470	0.9
225.00688	1.7
235.08147	4.7
253.09314	1.5
255.23279	65.1
256.23590	4.8
259.08200	1.7
277.21741	4.5
287.07681	2.3
296.43137	1.1
305.08734	2.5
330.23776	1.0
361.11118	1.4
379.12445	20.1
380.12662	1.3
397.13501	42.3
398.13760	3.9
415.14499	8.6
551.23138	2.8
569.24524	2.9
635.36725	3.4
653.37482	5.3
654.38062	1.4
685.40698	0.9
722.47125	1.2
784.93646	1.2
793.54083	2.6
794.49512	5.4
867.45898	9.2
868.46625	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	866.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.96245	0.4
69.92934	0.8
71.01370	1.1
71.08564	0.2
73.02942	0.3
76.72354	0.2
78.98602	0.7
79.22210	0.2
79.95730	2.6
80.96513	11.0
82.96102	0.6
85.02947	0.4
85.93424	0.2
87.00895	0.4
94.98081	1.9
96.96022	0.3
101.02502	0.3
103.88208	0.2
106.98079	0.5
109.92697	0.2
122.97570	0.6
125.02383	0.3
134.97588	0.8
136.99194	0.3
148.99139	0.8
152.98647	0.9
164.98566	1.3
166.07120	0.2
184.21349	0.2
206.99681	0.4
225.00703	2.7
226.01097	0.3
506.60611	0.2
701.59393	0.2
769.38977	0.2
865.50183	0.6
866.50031	12.5
867.50378	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	866.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.95488	0.1
70.01495	0.3
70.01891	0.3
71.01388	0.1
78.95898	0.3
80.96529	0.4
85.02966	0.1
89.02390	0.2
91.02798	0.1
96.95982	0.2
101.02439	0.1
152.99623	0.1
156.14865	0.1
171.10220	0.2
201.11314	0.2
209.11847	0.5
210.12161	0.3
211.12653	0.1
230.14507	0.1
255.23279	0.4
256.23630	0.2
293.20901	0.2
307.28314	0.1
345.57129	0.1
389.36240	0.1
397.13461	0.2
398.13876	0.2
461.45734	0.1
464.38785	0.1
472.06610	0.1
563.08630	0.1
751.10193	0.1
792.52875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98497	0.2
62.99270	0.3
63.96230	0.3
71.01392	0.3
71.52428	0.2
73.25028	0.2
78.78477	0.2
79.95751	0.7
80.96516	4.0
87.00847	0.2
94.98091	0.6
121.02937	0.5
148.99098	0.3
152.98651	0.3
153.77783	0.2
164.98636	0.6
165.01901	0.3
207.80467	0.2
211.13438	0.8
225.00780	0.7
226.01033	0.2
255.23260	0.2
277.21796	0.9
278.22061	0.5
291.19867	0.4
292.19983	0.4
351.55328	0.2
421.25696	0.2
588.27802	0.2
866.50281	3.9
867.49469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.75577	0.1
71.01394	0.2
71.23293	0.2
74.00874	0.1
78.95905	0.2
79.95734	0.3
80.96508	0.1
85.02913	0.1
92.57064	0.1
92.92831	0.1
94.98095	0.4
96.96017	0.5
96.96947	0.2
107.46030	0.1
119.73032	0.1
163.11304	0.1
164.79179	0.1
176.77974	0.1
191.05652	0.2
209.11859	0.3
501.49200	0.1
590.08112	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	865.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98540	0.9
63.96231	1.1
63.99236	0.7
64.30256	0.6
71.01374	7.2
71.52483	0.6
71.52892	0.8
72.99290	0.6
73.02957	0.9
78.98581	4.4
79.95733	13.8
80.00275	0.6
80.96516	55.8
85.02943	3.0
87.00869	2.1
89.02459	1.2
94.98090	11.4
97.02950	0.9
99.00912	1.1
99.92606	0.9
101.02446	3.8
106.98104	1.7
111.08151	2.1
113.02406	1.0
113.15929	0.6
115.92070	0.8
116.92854	1.0
122.97567	2.9
125.02442	2.8
127.03962	0.9
134.16949	0.6
134.97571	4.3
136.99136	0.9
139.75883	0.7
148.99124	4.5
150.47179	0.6
152.98584	4.1
161.04466	0.8
164.98618	8.2
169.12257	0.8
184.02187	0.6
184.35429	0.7
197.11839	13.6
198.12195	0.8
199.13271	1.0
206.99619	1.9
211.13390	2.1
225.00743	12.8
225.02939	0.7
235.08253	3.1
253.09232	7.0
255.23308	1.0
263.20367	0.7
277.21707	39.2
278.21948	3.0
283.04843	0.9
291.19693	7.6
292.19986	0.6
309.20731	15.9
310.21118	1.9
377.28522	0.7
643.55713	0.7
652.01141	0.7
865.49805	57.6
866.50110	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	865.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	41.4
63.69929	0.6
63.96229	1.8
69.03458	1.5
69.86026	3.2
71.01380	7.8
72.02059	0.6
73.02940	1.8
78.98593	7.2
79.95736	22.1
80.96516	86.3
81.03467	0.8
85.02942	2.6
87.00883	3.2
94.98082	19.4
95.01373	1.4
96.95998	1.9
97.02940	2.1
99.00856	0.9
99.92597	0.9
101.02438	2.7
105.61826	0.6
106.98058	4.4
115.92068	1.8
116.92856	1.6
118.88478	0.6
122.97583	4.6
125.02442	3.9
127.04028	1.0
134.97594	7.6
136.99138	2.1
148.99126	9.2
152.98634	8.5
164.98619	16.6
206.99701	4.1
225.00731	26.2
226.00972	0.8
255.23311	2.7
283.04883	1.2
367.39667	0.8
373.53455	0.7
537.27142	1.5
609.25861	1.7
865.49805	100.0
866.50195	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.0
71.46143	0.8
71.53555	1.4
95.07048	0.8
106.20367	0.9
107.01387	2.6
109.02923	1.5
121.02934	1.3
151.00349	10.4
163.00371	2.7
178.99924	5.8
191.05612	1.4
211.04007	1.2
216.04208	0.8
227.03407	1.9
242.84557	0.8
243.02960	4.2
245.04538	2.0
248.60765	0.9
255.02971	13.3
256.03311	1.2
271.02451	30.1
272.02985	2.9
273.04068	1.4
283.02484	1.6
300.02740	60.2
301.03470	43.1
301.06412	0.9
302.04111	4.0
439.62067	0.8
447.09280	100.0
448.09668	12.0
598.23242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.7
67.72976	1.2
69.03450	1.9
69.87264	6.9
71.01384	18.6
72.99308	1.7
73.02914	2.9
78.95872	1.7
80.02660	2.1
81.03445	5.0
83.01376	2.1
83.05020	10.2
84.02168	2.2
85.02951	10.0
87.00873	5.7
89.02438	15.3
91.94562	1.2
93.03442	2.6
95.01391	1.7
95.05009	1.4
96.96033	1.8
97.02940	8.5
97.06627	1.6
99.00871	1.6
101.02437	12.5
109.06591	26.2
111.04494	1.5
113.02441	7.9
116.92844	1.6
119.03522	3.5
119.77982	1.2
121.06617	1.5
123.08105	1.6
125.02461	4.9
125.09695	2.6
126.90382	1.3
129.02046	1.4
133.02910	1.2
135.08153	3.9
137.02393	1.7
137.57237	1.4
141.01825	1.7
142.02664	2.6
143.03540	1.7
161.04544	1.7
161.09593	1.8
163.09242	1.2
163.11288	17.4
164.11612	1.6
165.12831	2.1
179.05630	5.8
181.12320	4.2
185.11807	1.6
185.13338	1.4
189.09157	1.5
191.05588	21.3
192.06041	1.5
207.10245	68.8
208.10513	4.1
209.11807	100.0
210.12198	5.8
221.06503	2.3
225.11311	33.8
227.12888	13.9
235.08185	3.6
268.22986	1.4
272.42844	1.4
299.15137	1.5
305.08835	1.9
379.12491	2.0
397.13452	30.0
399.21576	3.6
400.22025	1.4
415.14551	8.8
417.22775	4.5
435.23517	1.6
580.51453	1.5
605.24664	3.9
623.25085	7.2
797.35913	13.8
798.36298	2.1
815.36865	16.9
816.36652	4.3
833.38037	35.3
834.38702	6.1
865.39459	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	865.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70560	0.3
60.73594	0.4
63.02372	0.6
65.00288	0.9
66.14259	0.4
71.01359	0.5
74.44243	0.3
83.01364	0.5
85.02914	0.5
91.01901	0.4
93.03415	0.7
98.20738	1.0
101.02399	0.6
107.01384	2.4
108.02140	0.6
109.02975	1.7
115.00388	0.6
118.36730	0.4
121.02943	1.9
125.02382	0.4
127.04090	0.3
130.76624	0.4
135.00848	0.6
141.29489	0.4
144.22739	0.4
148.01659	0.6
150.99213	0.6
151.00359	10.1
151.47658	0.3
163.00398	2.8
169.01381	0.5
178.28644	0.4
178.99858	4.9
190.99881	0.6
191.05602	2.6
199.03996	0.7
201.05682	0.4
211.03993	0.9
220.24547	0.3
226.02676	1.0
227.03458	2.1
229.04953	0.6
229.19853	0.5
236.40581	0.4
243.02969	4.6
245.04501	1.4
254.02197	0.8
255.02968	13.9
256.03381	1.2
271.02444	26.9
272.02921	2.5
273.03937	1.3
283.02417	1.2
297.00522	0.4
299.01999	0.5
300.02719	56.2
301.03473	44.2
302.03833	2.8
373.18689	0.5
447.09290	100.0
448.09634	11.1
673.21112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	0.8
61.34661	0.8
61.98832	1.3
67.01894	2.4
69.03461	1.2
69.50802	1.8
69.51234	3.1
71.01389	3.8
74.02918	0.7
79.11642	0.8
81.03467	1.1
83.05042	1.1
85.02947	18.7
87.00866	6.5
88.98801	1.9
93.03458	19.0
94.03008	2.7
97.02976	0.8
98.19852	0.8
99.04516	1.0
108.02182	1.1
109.02952	10.7
111.04531	3.4
121.02934	3.9
122.02452	2.6
125.02450	1.5
127.04001	4.4
133.02962	1.9
134.03839	0.8
135.04524	3.2
137.02446	1.2
155.03580	0.9
161.02412	6.0
165.05608	0.8
169.01385	1.5
171.02983	1.1
173.04552	6.3
191.05608	100.0
192.05927	3.6
197.07260	4.7
209.07043	0.9
210.07974	1.5
223.08727	4.3
235.08830	1.3
236.09540	2.3
249.10326	0.9
263.08240	1.6
265.09818	3.1
275.08594	1.0
277.09824	2.7
278.10471	1.4
290.07281	1.0
291.07755	2.1
293.09348	3.7
303.07755	2.3
305.09320	3.0
306.10159	4.0
318.07816	0.9
319.10880	1.8
331.07245	0.9
343.10892	1.7
345.08728	6.3
345.12323	1.5
357.12592	1.1
369.12680	1.0
371.10266	3.4
385.11993	1.5
387.13605	4.1
397.15344	1.8
411.09662	2.1
413.11407	26.3
414.11743	2.5
415.12982	10.3
416.13571	1.0
423.09915	1.0
439.09573	1.9
441.10886	41.2
442.11111	4.7
449.14288	4.4
467.15689	2.3
593.40070	0.9
633.17468	1.2
647.22321	8.7
648.23108	1.6
673.08911	1.4
673.20367	40.8
674.20770	7.6
691.21301	3.0
865.26520	45.6
866.27197	12.2
898.69836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	0.3
69.03452	1.0
70.85188	0.7
71.01382	15.7
72.99313	0.9
73.02945	2.7
80.02670	1.0
81.03442	2.0
83.01363	1.9
83.05027	4.3
84.02151	0.9
85.02954	3.8
87.00879	3.9
89.02442	14.5
90.02769	0.4
91.04040	0.6
95.01371	1.2
95.05011	0.8
96.06860	0.4
96.67525	0.3
97.02935	2.4
99.00892	1.0
101.02438	12.0
107.85954	0.4
109.02934	0.6
109.06612	0.3
111.00818	0.3
111.04560	0.3
113.02454	7.2
114.12824	0.3
119.03482	3.7
125.02451	6.2
125.06085	0.6
129.14522	0.4
131.03511	0.3
135.08154	0.7
139.04016	0.7
141.01927	0.5
143.03545	1.7
145.05055	0.4
149.04568	0.4
161.04561	3.2
163.11301	3.5
165.12823	2.2
167.03564	0.4
179.05597	3.2
180.05807	0.3
191.10825	0.6
199.06133	0.4
209.11815	100.0
210.10329	0.5
210.12173	5.8
217.07153	1.0
221.06622	1.1
227.12878	13.1
228.13171	0.8
235.08211	5.7
253.09268	0.8
255.23279	54.9
256.23627	4.7
263.07553	0.5
269.24878	0.6
287.07706	1.7
304.71524	0.4
305.08734	2.1
323.09708	0.5
379.12411	6.8
380.12561	0.8
397.13474	39.1
398.13895	3.3
415.14532	8.4
416.14923	0.9
483.22992	0.4
589.25055	0.9
607.26300	0.7
653.37714	1.6
793.29297	0.4
857.42480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	0.9
61.98804	0.9
67.01894	1.4
69.03461	1.6
69.57378	1.4
69.57793	4.4
71.01392	4.1
85.02948	17.5
87.00871	5.6
88.98824	4.5
89.02434	2.1
93.03458	18.1
94.02979	2.6
96.95979	0.9
101.02467	1.3
108.02126	1.2
109.02953	10.4
111.04495	3.3
121.02993	5.1
122.02457	2.2
122.25809	0.8
125.02426	2.2
127.03992	3.5
129.02000	1.0
133.02950	1.2
135.04520	3.1
150.03218	1.1
155.03505	1.1
155.27467	0.9
161.02464	5.2
166.51288	0.8
169.01471	1.5
171.02960	1.2
173.04564	6.0
191.05618	100.0
192.05943	3.9
194.85561	1.0
197.07214	4.2
209.11778	1.1
210.07973	1.6
223.08672	3.2
236.09500	1.9
238.77339	1.0
265.09839	3.0
277.09769	1.8
278.06873	1.0
278.10565	1.8
291.07806	1.4
293.09317	5.0
296.17624	0.8
303.07733	2.5
305.09317	1.5
306.09988	3.3
317.09323	1.4
318.07343	1.4
319.10736	1.6
331.07437	1.2
343.10855	1.3
345.08649	7.6
345.12567	2.2
371.10254	4.7
385.11868	1.5
387.13489	3.6
397.15350	1.7
411.09543	2.1
413.11432	22.7
414.11511	2.7
415.13028	10.8
428.20526	0.9
431.66348	0.8
439.09146	1.3
441.10901	36.5
442.11197	4.0
449.14429	6.0
467.15591	2.3
493.14368	1.0
587.89105	1.0
633.16925	2.4
634.16876	0.9
647.22479	5.5
673.20331	38.6
674.20233	5.2
691.21606	2.1
865.26630	42.6
866.26831	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	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.2
68.99825	0.2
69.03458	0.9
71.01376	13.1
72.22449	0.2
72.79753	0.2
72.99316	1.1
73.02940	2.4
75.00872	0.4
80.02672	1.2
81.03452	2.0
81.70658	0.2
83.01385	1.8
83.05021	5.2
84.02155	0.7
85.02948	3.4
86.00073	0.2
87.00340	0.3
87.00877	3.7
89.02441	11.3
91.04002	0.3
93.03439	0.3
95.01385	1.2
95.05019	0.8
97.02943	2.1
98.20684	0.5
99.00883	0.9
101.02435	9.9
102.02790	0.3
109.02964	0.4
109.06599	0.6
111.00862	0.4
111.04536	0.3
113.02445	5.6
115.03960	0.3
119.03484	3.4
121.02869	0.2
124.01647	0.4
125.02442	4.7
125.06065	0.5
126.02860	0.2
127.70597	0.2
131.03493	0.8
133.05072	0.3
135.08183	0.7
139.04002	0.6
139.07639	0.2
141.01871	0.3
142.88002	0.2
143.03513	2.4
147.11790	0.2
149.04553	0.4
161.04573	3.0
163.11279	4.6
165.12843	2.4
167.03473	0.2
179.05598	4.2
181.12367	0.6
185.04460	0.2
191.05640	0.2
191.10802	1.4
199.06114	0.5
199.13295	0.3
207.10263	0.5
209.11809	100.0
210.12158	6.5
217.07132	0.7
221.06665	1.6
223.13396	0.3
225.11089	0.3
227.12866	14.1
228.13203	0.8
229.41689	0.3
235.08215	4.7
240.77560	0.3
244.46115	0.2
245.06799	0.3
251.12872	0.8
253.09239	0.8
255.23268	42.3
256.23605	4.0
259.08292	0.5
263.07840	0.3
287.07675	1.5
305.08823	1.6
323.09888	0.9
351.90784	0.2
361.11423	0.2
379.12418	6.5
380.12857	0.4
397.13489	29.1
398.13760	2.4
413.18427	0.2
415.14575	7.4
416.14862	0.7
589.24677	0.6
607.25854	1.8
608.26422	0.4
635.37396	0.3
653.37634	0.4
677.13739	0.2
863.49689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	1.2
63.96239	2.6
65.05031	0.7
69.03441	0.7
71.01383	8.3
73.02953	1.9
78.95918	3.4
78.98595	8.8
79.95736	28.2
80.96518	95.0
81.03448	1.3
81.95309	1.1
82.96115	4.5
82.96952	0.7
83.81009	0.6
85.02966	4.2
87.00872	4.0
94.97481	1.4
94.98089	23.4
96.96003	2.1
96.96941	1.0
97.02953	2.7
98.20634	1.7
99.00864	1.0
101.02438	3.1
106.98074	4.2
122.97584	6.8
125.02460	5.3
127.03958	1.0
134.97574	8.2
136.99117	1.5
138.71318	0.7
148.99141	9.6
152.98610	8.9
152.99530	0.6
153.99010	0.7
164.98627	16.8
165.98871	0.8
179.00238	0.8
197.11743	0.9
206.99715	3.2
225.00732	26.1
226.01173	1.2
227.00406	1.3
241.01192	1.1
255.23268	3.9
283.04987	1.2
291.19647	1.0
537.27386	2.6
538.28113	0.7
607.24115	1.6
765.39563	1.1
777.41907	1.0
789.42853	0.8
817.43542	1.8
845.46582	1.8
863.48151	100.0
864.48553	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	863.5
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.4
62.51395	0.3
69.03452	1.2
71.01378	17.0
72.99319	1.4
73.02940	3.3
80.02677	1.1
81.03452	2.3
83.01387	1.8
83.05025	4.9
84.02170	0.6
85.02947	4.1
87.00874	4.4
89.02441	14.1
91.04021	0.3
93.03469	0.4
95.01389	1.2
95.05013	0.6
97.02938	2.8
97.06578	0.4
99.00863	1.1
101.02438	11.4
105.20368	0.2
109.06581	0.5
111.00880	0.5
111.04513	0.5
113.02451	6.9
113.03239	0.2
119.03497	3.6
121.02957	0.3
125.02440	5.9
125.06030	0.4
127.03948	0.3
131.03497	0.5
133.05066	0.5
135.08138	0.7
139.04010	0.6
143.03488	2.5
147.11783	0.3
149.04572	0.5
161.04550	3.1
163.11267	3.2
164.11581	0.3
165.12811	2.2
165.13725	0.2
169.05145	0.3
179.05571	3.4
181.12282	0.4
185.04686	0.3
191.10703	0.9
199.06090	0.5
207.10197	0.4
209.11810	100.0
210.12178	6.2
217.07176	0.7
219.05037	0.4
221.06665	1.1
227.12862	13.1
228.13199	0.7
229.23714	0.3
235.08211	4.9
236.08595	0.4
245.06586	0.5
251.12802	0.7
253.09224	0.9
255.23271	54.3
256.23651	5.3
256.27942	0.3
259.08047	0.3
269.24838	0.5
287.07678	1.4
287.95609	0.2
305.08728	2.3
323.09711	1.2
361.11456	0.4
379.12415	7.9
380.12686	0.7
383.19443	0.3
397.13477	40.7
398.13821	3.2
415.14523	9.5
416.14655	0.7
589.25037	0.4
607.26361	0.6
653.37769	1.4
654.37488	0.5
819.18646	0.3
863.49365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79510	0.3
66.59574	0.4
69.40350	3.1
72.61071	0.3
78.54739	0.4
82.32627	0.4
92.85832	0.4
93.03469	0.6
107.01396	0.7
109.02951	0.5
125.02406	1.0
125.71223	0.4
151.00374	0.5
159.04483	0.9
163.00389	0.7
169.06587	0.5
183.04485	0.7
185.06096	1.0
187.03976	1.4
189.79651	0.4
191.05602	0.9
197.06038	0.6
199.03926	0.8
211.03934	1.6
213.05492	1.0
227.03494	29.3
228.03857	1.7
229.05014	3.7
239.03383	0.6
255.02980	46.2
256.03592	6.3
257.04541	2.3
284.03253	50.0
285.04007	54.3
286.04352	4.2
327.05078	0.6
413.51389	0.4
431.09799	100.0
432.10150	10.9
447.08670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.4
69.52951	1.3
71.01384	0.5
81.03451	0.2
85.02949	6.2
87.00864	1.6
93.03455	3.7
98.55682	0.2
99.04516	0.2
109.02951	0.6
111.04509	1.0
119.05024	0.6
127.04001	1.8
145.02914	0.9
155.03537	0.2
163.03992	1.5
169.01320	0.3
171.02971	0.4
173.04568	1.5
175.68605	0.2
189.89859	0.2
191.05597	100.0
192.05957	3.3
246.24651	0.2
259.13687	0.2
337.09265	25.1
338.09570	2.4
396.23257	0.2
459.03510	0.2
483.61353	0.2
591.65765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.8
63.01419	0.7
63.96228	2.4
66.38189	0.8
69.55848	0.8
71.01375	9.3
72.68982	0.7
73.02932	2.0
78.95895	2.2
78.98595	7.0
79.95736	34.1
80.96517	100.0
81.03423	1.2
82.54034	0.7
85.02946	4.0
86.30025	0.7
87.00892	4.0
93.51955	0.8
94.98091	20.5
96.95992	2.1
97.02939	1.7
101.02426	2.9
106.98096	4.4
113.02428	0.9
113.44313	0.8
122.97594	4.9
124.88734	0.8
125.02452	4.7
127.03989	1.4
134.97592	7.0
136.99088	1.5
144.32494	0.9
145.07465	0.8
148.99132	7.1
151.30154	0.8
152.98605	5.7
164.98618	15.7
186.93758	0.8
206.99655	4.6
216.26237	0.7
222.24367	0.8
225.00716	25.5
241.01099	1.3
255.23328	3.6
301.46658	0.7
322.86423	0.7
341.05560	1.1
537.27515	2.6
559.18402	1.2
601.12769	0.8
735.41595	1.0
763.39301	2.1
764.40369	0.9
787.43506	1.1
815.42584	9.7
816.43243	3.4
843.45526	7.6
844.45862	3.0
861.46716	75.8
862.31042	1.5
862.47040	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	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	0.6
61.98815	1.8
69.03450	1.1
69.49754	2.9
71.01380	19.1
71.05017	0.6
71.31525	0.4
72.99295	1.1
73.02938	3.2
73.45325	0.4
75.00883	0.5
78.95915	0.6
80.02673	1.0
81.03444	2.7
83.01387	2.4
83.05022	5.3
84.02174	0.9
85.02943	4.3
87.00865	5.0
88.98794	1.5
89.02441	16.4
91.03960	0.6
93.03482	0.5
95.01363	1.4
95.05016	0.8
97.02953	4.0
99.00909	1.0
101.02437	14.5
102.02761	0.6
103.00381	0.7
109.02937	0.5
109.06577	1.4
113.02444	7.2
115.03979	0.4
116.92876	2.9
117.92850	1.4
118.92661	0.5
119.03500	3.9
121.02950	0.4
123.04507	0.4
125.02455	6.1
125.06055	0.5
126.02796	0.4
127.16459	0.4
131.03487	0.5
135.08134	1.1
139.03955	0.4
141.01996	0.6
143.03520	2.6
149.04514	0.4
161.04555	3.6
163.11285	5.2
165.12816	2.2
171.10263	0.4
179.05595	4.6
181.12378	1.1
191.05592	0.9
191.10780	1.2
207.10251	3.2
209.11816	100.0
210.12131	5.8
217.07120	1.3
221.06656	1.7
225.11301	4.6
227.12877	13.2
228.13176	0.7
235.08202	6.1
246.58539	0.4
253.09283	0.7
253.21721	57.8
254.22067	5.1
255.23279	4.5
259.08273	0.7
267.23129	0.6
287.07709	1.6
305.08783	1.6
323.09894	1.3
379.12402	8.1
396.45868	0.4
397.13498	42.6
398.13916	3.3
415.14572	9.7
416.14948	1.1
589.25116	0.6
607.26251	0.5
612.50970	0.4
651.36249	1.8
758.98181	0.4
812.51831	0.8
861.48492	2.0
862.48590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	31.3
69.29943	31.3
71.01392	8.6
75.00886	9.3
78.95887	6.1
80.96528	4.8
82.63165	3.4
85.02937	5.0
87.00869	5.4
89.02447	7.0
93.03471	3.9
93.11493	4.2
98.20721	5.9
99.92577	10.5
100.76307	4.0
101.02419	5.5
103.00369	14.0
116.92852	100.0
117.92866	38.7
118.92633	22.1
119.03497	3.8
138.53571	3.8
163.62347	3.7
171.10214	9.0
191.05586	7.2
197.11778	4.0
207.10254	11.0
209.11800	5.1
225.11324	8.3
236.21608	3.6
253.09198	12.5
253.21703	8.6
255.23349	3.7
277.21704	25.5
309.20691	14.3
325.03635	4.3
327.18799	3.9
327.21799	45.1
328.22055	3.9
397.13437	6.9
423.01443	4.1
529.56085	4.1
545.29730	8.4
563.30389	10.7
859.48602	16.3
860.48718	4.9
886.23291	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	859.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	8.4
63.19898	0.9
69.03444	2.8
69.53829	6.5
71.01381	25.2
72.94910	0.9
72.99305	2.1
73.02933	3.6
80.88430	0.9
83.01373	2.6
85.02960	6.7
87.00848	5.2
89.02441	19.9
91.25808	0.9
95.01386	2.7
97.02948	3.9
98.20639	1.9
99.00867	1.8
101.01797	1.4
101.02437	20.9
112.98531	1.2
113.02456	9.5
119.03502	6.1
125.02420	7.7
143.03508	3.7
161.04543	5.5
167.10725	2.7
179.05629	5.2
179.10770	1.3
179.14410	2.3
186.21251	0.8
195.13878	8.5
196.14285	0.8
198.18481	0.8
205.12378	9.7
217.07103	1.2
220.85431	0.9
221.06589	1.5
223.13374	100.0
224.13701	6.5
235.08199	6.1
253.09236	1.1
255.23277	73.1
256.23569	4.4
278.10196	1.2
287.07706	2.2
305.08743	2.8
323.10007	2.1
379.12482	10.0
380.12518	1.3
397.13492	56.3
398.13828	3.2
415.14569	11.0
603.26471	7.2
621.27673	3.1
653.36951	4.1
755.51990	1.0
859.49451	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	859.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	19.3
70.09453	4.0
71.01374	7.0
75.00874	10.2
78.95913	9.2
79.95763	5.0
80.96522	6.4
83.05026	4.9
85.02924	6.8
87.00884	9.0
89.02434	5.0
93.03437	9.9
97.02911	4.7
98.19849	8.4
101.02444	6.8
103.00370	9.6
109.06540	5.0
116.92858	19.1
125.02439	4.7
161.04500	6.7
171.10326	10.9
179.10706	6.7
180.77693	4.5
181.92862	4.1
191.05600	15.6
197.11852	37.1
207.10237	9.2
209.11740	6.7
211.13403	7.5
223.09712	4.3
225.11241	7.4
229.14383	7.4
229.29851	5.1
231.98769	4.0
235.08266	27.2
241.10835	64.3
242.11101	4.6
253.09326	34.7
277.21710	87.1
278.22061	6.9
291.19763	6.6
307.19122	5.2
309.20660	13.6
310.20737	6.9
315.28192	4.0
327.21765	100.0
328.22147	9.6
435.18402	5.3
437.79916	4.7
485.49326	4.8
513.30237	7.9
545.29565	9.3
550.24133	19.8
550.73920	6.8
551.31903	10.3
563.30719	7.9
859.49103	22.6
860.49817	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	859.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01700	1.1
61.98819	3.8
71.01378	61.2
72.01700	0.9
72.99304	5.1
73.02943	1.4
81.03423	1.0
81.07095	1.8
83.01363	2.4
85.02949	10.5
87.00870	3.9
89.02442	73.4
93.03449	2.1
95.01394	4.2
99.04517	10.7
101.02438	29.3
101.03107	1.4
113.02451	22.2
113.03252	1.2
119.03502	33.5
125.02440	1.0
131.03497	5.5
135.04530	1.3
143.03477	6.9
149.04514	3.0
150.06859	2.4
151.00334	1.0
161.02415	2.1
161.04539	8.3
161.13353	21.0
162.13660	1.4
169.01402	1.4
179.05597	30.3
187.11255	3.8
191.05562	7.7
205.12326	66.7
206.12599	3.3
217.31647	0.9
249.11314	100.0
250.11649	6.7
385.18649	7.0
429.17615	87.7
430.18002	10.6
834.15381	0.9
866.88593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	4.7
66.66782	1.1
68.39748	1.1
69.23718	1.0
71.01369	3.2
71.52371	1.3
73.02950	1.8
78.95900	2.2
87.00883	1.3
89.02435	2.2
96.95998	3.9
97.02953	1.4
99.92582	10.7
101.02431	2.7
102.84545	1.1
116.92857	100.0
117.01918	2.6
117.92919	5.6
125.02495	1.5
191.05658	3.6
197.11823	17.8
198.12146	3.5
199.12292	1.2
207.19640	1.5
209.11739	2.0
215.94284	1.0
225.11218	1.6
241.10832	13.4
243.12309	2.2
253.09286	3.7
277.21735	4.5
278.22070	2.6
279.22391	1.4
289.18219	1.6
290.51584	1.2
293.21286	6.3
305.17679	2.1
307.19067	3.4
309.20715	4.9
323.18561	2.0
336.48969	1.1
397.13351	1.7
398.13748	1.7
487.31479	1.4
531.29236	2.1
549.31012	2.1
822.61255	1.7
857.48468	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	858.213
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38295	0.4
61.98829	0.6
68.99824	0.7
69.64722	1.4
69.65138	1.4
69.96416	0.4
70.02991	0.7
71.01379	2.5
73.02948	0.7
85.02942	2.0
86.02485	0.8
89.02432	2.3
91.01891	10.2
92.02708	0.6
93.03453	23.1
94.03832	0.6
95.01411	0.4
97.75427	0.4
101.02432	1.5
107.05021	1.4
108.02178	0.6
112.04071	3.4
113.02437	0.9
119.01397	3.7
119.03460	0.5
121.02953	11.5
122.02464	1.2
122.06121	0.5
123.04503	0.8
125.02397	0.6
133.02943	0.8
135.04527	0.9
136.01648	0.7
137.02441	40.7
138.02785	1.1
143.03424	0.7
149.02477	0.9
151.04002	100.0
152.04326	4.2
156.02985	0.6
161.02419	0.9
163.04012	0.6
165.03813	2.1
166.04306	0.5
166.84839	0.5
169.01445	0.6
174.05594	0.5
179.03516	1.3
182.02809	1.2
191.05602	6.1
192.05936	0.9
200.07167	1.4
201.07227	0.6
226.01781	2.2
227.02290	0.4
234.05952	4.1
235.06316	0.4
253.03914	0.7
263.05573	1.9
278.04935	3.1
281.06635	15.8
282.07172	0.9
294.21991	0.5
296.05997	3.3
323.07736	8.5
324.08054	0.8
430.11896	0.5
433.07587	0.5
458.11215	20.0
459.11566	2.1
474.05624	0.5
658.36298	0.5
666.11841	2.8
858.18243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55705	0.3
65.39285	0.4
67.01886	0.7
67.98689	0.4
69.03440	1.0
69.96114	0.4
71.01389	0.8
71.52313	0.4
73.02953	0.5
85.02945	6.7
87.00879	1.6
93.03452	3.7
95.01386	1.0
97.02944	0.5
99.04565	0.4
104.80194	0.4
107.01399	5.5
107.12157	0.4
109.02928	0.8
111.04512	1.8
123.00875	1.3
123.20197	0.4
125.02444	19.1
126.02803	0.5
127.04015	1.6
133.02962	1.1
135.04517	1.2
139.00392	0.5
147.81602	0.4
155.03552	0.8
158.74704	0.4
161.02390	2.9
163.00294	0.4
166.99857	0.6
169.01410	37.6
170.01767	1.2
173.02356	0.5
173.04529	3.3
179.03397	0.6
187.63571	0.4
191.05595	100.0
192.05980	2.9
201.01857	0.9
219.02820	0.6
229.01413	1.0
231.02948	0.9
232.23679	0.4
245.00851	0.6
245.07491	0.4
247.02364	0.6
249.03990	1.5
273.00446	0.8
275.01941	1.4
283.99573	0.5
300.99890	6.7
317.46848	0.4
325.05493	0.5
343.06653	39.5
344.07034	2.4
353.08740	13.5
354.09033	1.3
505.09833	16.5
506.09949	1.9
597.05481	0.4
670.58795	0.4
707.18481	1.0
742.66382	0.5
823.73627	0.4
859.19336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	4.8
61.98819	3.8
67.01892	11.6
69.03453	19.4
71.01373	5.4
71.53333	1.0
81.03461	4.1
83.05034	2.0
85.02946	8.5
87.00874	14.3
91.42028	0.9
93.03458	78.4
94.03799	2.5
95.05013	1.5
96.96033	1.0
97.02962	0.9
99.00919	1.0
99.04542	1.6
107.05058	1.0
108.02164	1.9
109.02989	1.9
111.04519	10.1
113.02405	1.7
115.00346	1.2
117.03428	1.1
121.02924	1.3
122.03733	1.8
124.01676	1.2
125.02428	1.4
126.03254	0.9
126.31387	1.0
127.04032	1.8
129.01913	1.0
130.36456	1.0
132.02148	2.2
133.02957	9.9
134.03722	10.2
135.04524	72.2
136.04834	2.7
137.02415	3.8
139.04036	1.1
149.02419	1.4
150.03214	3.6
151.04025	2.8
151.07579	1.4
155.03485	2.4
156.45425	1.0
160.01622	7.6
161.02437	22.0
162.03162	3.8
163.03998	1.2
165.01924	2.8
165.05534	2.4
173.04535	30.1
173.06044	1.6
174.05025	0.9
176.04816	0.9
177.01888	1.8
178.02718	1.8
179.03488	63.3
180.04010	3.4
191.05605	96.2
192.05922	3.1
194.05899	1.4
195.06664	4.2
197.46786	1.0
209.08200	3.3
225.07680	1.9
229.08673	0.9
231.10233	2.8
246.64682	1.0
257.08093	4.9
261.07648	24.1
262.08078	1.4
275.09268	7.8
308.09204	1.6
313.10776	1.8
331.11871	81.9
332.12238	7.7
334.67859	0.9
351.07196	3.2
352.08087	2.1
353.08856	1.4
373.13080	1.2
449.14520	100.0
450.14853	15.7
573.01068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	4.8
61.98819	3.8
67.01892	11.6
69.03453	19.4
71.01373	5.4
71.53333	1.0
81.03461	4.1
83.05034	2.0
85.02946	8.5
87.00874	14.3
91.42028	0.9
93.03458	78.4
94.03799	2.5
95.05013	1.5
96.96033	1.0
97.02962	0.9
99.00919	1.0
99.04542	1.6
107.05058	1.0
108.02164	1.9
109.02989	1.9
111.04519	10.1
113.02405	1.7
115.00346	1.2
117.03428	1.1
121.02924	1.3
122.03733	1.8
124.01676	1.2
125.02428	1.4
126.03254	0.9
126.31387	1.0
127.04032	1.8
129.01913	1.0
130.36456	1.0
132.02148	2.2
133.02957	9.9
134.03722	10.2
135.04524	72.2
136.04834	2.7
137.02415	3.8
139.04036	1.1
149.02419	1.4
150.03214	3.6
151.04025	2.8
151.07579	1.4
155.03485	2.4
156.45425	1.0
160.01622	7.6
161.02437	22.0
162.03162	3.8
163.03998	1.2
165.01924	2.8
165.05534	2.4
173.04535	30.1
173.06044	1.6
174.05025	0.9
176.04816	0.9
177.01888	1.8
178.02718	1.8
179.03488	63.3
180.04010	3.4
191.05605	96.2
192.05922	3.1
194.05899	1.4
195.06664	4.2
197.46786	1.0
209.08200	3.3
225.07680	1.9
229.08673	0.9
231.10233	2.8
246.64682	1.0
257.08093	4.9
261.07648	24.1
262.08078	1.4
275.09268	7.8
308.09204	1.6
313.10776	1.8
331.11871	81.9
332.12238	7.7
334.67859	0.9
351.07196	3.2
352.08087	2.1
353.08856	1.4
373.13080	1.2
449.14520	100.0
450.14853	15.7
573.01068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74016	0.8
60.99302	0.8
66.09200	0.8
69.26647	7.7
71.01378	1.9
76.19240	0.8
85.02948	17.0
87.00882	4.6
91.01536	0.9
93.03458	8.3
99.04532	1.0
109.02927	1.3
111.04532	1.9
127.03986	2.9
134.70609	0.7
171.02933	1.2
173.04515	2.2
176.04681	0.9
187.00362	0.8
191.05609	54.6
192.05946	1.7
201.01990	1.0
227.03490	1.3
237.05655	0.9
256.35870	0.8
259.06076	1.5
263.03372	1.1
265.05075	1.6
279.02737	0.9
280.03705	1.0
283.06070	5.4
285.03918	4.0
287.03583	0.9
288.04456	1.4
291.06543	0.9
299.07443	1.0
301.05048	1.4
304.03699	1.7
309.03912	2.1
313.05103	1.9
314.05954	1.5
315.06421	1.2
316.03534	1.1
317.04501	4.8
318.05096	1.0
319.02390	3.1
320.03287	0.8
325.05035	2.6
327.05176	4.5
329.04520	2.3
330.05371	1.1
331.06125	1.2
332.03134	1.4
333.03989	1.7
335.05612	1.2
341.04517	6.6
342.05276	1.9
343.06088	2.7
344.03134	1.5
345.04095	2.0
346.04688	3.4
347.01718	1.3
347.05432	2.0
355.02206	1.2
356.03101	1.5
357.03824	2.0
359.05405	1.8
361.03256	1.5
361.07202	3.1
362.08014	1.5
369.04001	6.3
370.04654	3.4
371.01331	1.1
371.06018	4.2
372.02521	2.5
373.03461	2.9
374.04272	1.1
385.03363	3.1
386.04126	1.3
387.04932	3.0
388.05762	2.2
389.06528	3.5
395.02124	1.3
396.02655	1.3
397.03519	6.3
399.00803	1.1
405.06030	5.4
413.02853	3.0
414.03595	2.7
415.04453	2.5
421.09192	3.0
429.06232	6.8
431.04065	4.3
441.02225	3.9
445.05728	1.5
447.07318	4.9
459.03693	1.2
465.08273	7.2
466.08694	1.1
473.05157	17.8
474.05197	2.0
491.06091	2.9
509.07275	1.0
621.12286	3.2
637.12048	6.3
638.11328	1.3
665.11462	100.0
666.11847	18.7
801.90216	0.9
857.17877	13.9
858.18262	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	855.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	9.2
67.19025	2.0
69.84351	9.4
71.01373	13.5
73.02943	4.6
78.95898	3.4
81.03466	2.8
83.01387	3.0
83.05045	6.8
85.02948	9.9
87.00883	5.5
89.02430	6.6
93.03439	3.0
95.04998	2.5
96.95996	5.0
97.06575	4.4
99.00838	1.8
99.92563	9.3
101.02435	12.1
105.04034	1.7
111.08157	9.3
113.02453	4.9
114.93384	2.1
116.92857	79.0
117.03446	3.2
117.92861	3.8
127.11275	2.2
137.09702	2.6
145.02917	9.8
145.05116	2.6
161.04543	4.3
163.11259	3.3
165.12827	3.4
167.10706	2.1
171.10289	25.2
177.12823	2.0
179.10780	3.0
190.89684	2.1
191.05685	10.4
195.13824	12.3
209.11821	99.5
210.12131	5.8
211.13402	11.4
223.13411	5.1
227.12914	11.6
227.14839	2.1
229.14378	5.3
235.08203	12.5
247.20705	3.1
253.09271	32.6
275.20117	7.2
291.19659	100.0
292.19931	5.5
293.21228	71.6
294.21603	6.1
307.19101	6.4
309.20596	6.0
327.21732	73.1
328.22095	7.8
354.14319	1.9
497.89850	1.9
537.25256	4.7
537.75146	5.1
538.25836	2.7
538.76349	2.3
633.37701	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	853.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.7
65.01102	0.5
69.03445	1.3
71.01376	4.8
71.53288	0.6
71.53738	0.8
72.95131	0.6
73.02953	1.7
78.19108	0.6
78.95908	0.9
80.02684	0.6
83.01379	0.6
83.05036	0.9
84.02151	3.7
85.02958	1.4
87.00878	1.3
89.02441	3.5
94.98084	1.6
95.04960	0.6
96.72250	0.5
96.96011	3.2
97.02933	1.5
97.06594	5.2
99.04515	1.2
101.02438	4.7
102.93481	0.6
113.02428	2.5
114.93393	0.7
116.92859	1.0
119.03482	1.0
125.09746	1.3
137.09731	0.7
161.04507	2.5
171.10272	11.5
175.11223	0.7
185.11826	0.7
191.05664	0.9
193.12312	6.2
195.13895	9.2
197.11917	2.9
198.12047	0.7
205.12262	1.0
209.11688	0.9
211.13382	2.5
221.11838	0.8
223.13400	5.6
224.13924	0.7
225.14949	9.7
232.40709	0.6
235.08220	3.5
243.15956	4.4
253.09280	28.1
254.09630	1.2
256.13037	1.1
260.50125	0.6
273.18661	0.7
275.20169	5.7
289.18066	1.2
291.19589	2.6
293.21213	100.0
294.21585	11.0
307.19226	1.3
309.20685	2.5
323.22128	1.0
341.23294	67.6
342.23621	6.4
375.74103	0.5
471.35043	0.7
529.30219	1.7
577.32220	1.5
617.44135	5.4
618.44672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	8.5
69.03451	2.4
71.01379	8.2
73.02930	1.5
73.90494	0.9
78.95900	2.7
79.95750	1.0
80.91699	1.2
81.03430	1.3
82.95415	1.7
83.01388	1.4
83.05025	1.6
85.02957	9.5
87.00877	2.6
89.02451	5.7
93.03455	1.0
95.05010	1.4
96.96015	9.3
96.96946	1.6
97.02986	2.2
97.06583	3.0
101.02431	8.1
109.06599	1.7
111.08152	9.6
112.08486	1.1
113.02449	4.1
116.92868	1.8
119.03471	1.6
125.02393	1.5
125.09679	1.8
137.09740	2.8
143.03505	1.1
155.10780	2.0
161.04553	2.8
163.11313	1.3
169.12320	4.0
171.10278	24.9
172.10507	1.7
177.12715	1.3
179.05475	1.1
181.12332	2.0
183.13867	2.8
190.75926	1.1
191.05634	4.4
193.12274	1.8
197.11819	45.9
198.12132	2.9
199.13368	3.3
201.11401	1.3
204.82631	1.0
209.11803	6.9
211.13382	20.6
221.11867	2.6
225.11230	1.3
227.12871	3.0
229.14427	9.2
235.08195	6.5
253.09280	41.8
254.09561	2.2
263.20160	4.1
273.18680	1.4
291.19644	16.3
292.19958	1.5
293.21240	4.4
309.20694	100.0
310.21048	9.4
327.21750	92.6
328.22037	7.3
343.21140	2.8
545.29645	3.9
563.30841	6.3
619.42133	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	853.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09148	1.6
66.32281	1.6
66.35251	1.7
71.01387	6.8
73.02923	2.0
85.02969	2.0
89.02431	4.3
98.19798	3.9
101.02443	2.7
107.01420	3.9
109.02977	2.3
113.02469	2.0
121.02887	2.2
151.00349	11.8
163.00385	3.0
178.99863	4.8
181.12323	16.1
191.05684	2.1
210.90862	2.1
225.11302	42.4
226.11713	1.9
243.03011	5.3
245.04633	2.7
255.02924	17.4
271.02463	32.5
272.02774	4.0
280.87033	1.7
300.02756	61.2
301.03473	54.4
302.03818	4.8
405.13086	2.1
405.17606	77.2
406.17969	6.5
447.09286	100.0
448.09653	12.5
723.10913	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	853.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32692	1.2
61.98830	17.7
63.96214	1.4
69.74368	1.1
69.93738	1.1
71.01376	10.3
73.02920	1.4
78.95895	2.1
78.98595	8.0
79.95731	28.2
80.96513	96.4
82.96096	1.3
85.02944	3.3
87.00839	2.8
92.10618	1.2
94.98083	19.6
96.96055	2.3
98.20689	2.6
101.02416	3.6
106.98039	3.4
107.41689	1.4
116.92869	1.7
122.97553	4.3
125.02409	4.0
127.03979	1.3
132.09540	1.0
134.97565	6.0
136.99091	2.0
148.99098	7.6
152.98607	6.8
164.98611	16.7
179.00169	1.5
206.15869	1.3
206.99687	3.1
225.00717	18.6
283.04840	1.8
341.05432	1.2
393.60034	1.2
559.25153	2.4
627.88336	1.1
631.07800	1.3
715.38214	1.2
801.59320	1.4
853.47632	100.0
854.48212	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	13.1
68.99567	12.4
69.03455	3.7
71.01382	22.1
71.52598	3.5
72.50460	2.9
73.02940	4.1
78.95908	5.1
83.05038	3.7
85.02909	4.2
85.31510	3.3
89.02442	12.9
93.03442	3.3
95.93421	2.8
96.96026	11.2
97.06580	5.5
101.02428	16.0
111.08134	20.6
111.86131	3.7
112.98577	14.7
113.02406	5.2
116.92896	18.8
125.09706	10.5
135.08481	3.2
135.35338	2.9
161.04520	9.6
163.11288	5.7
165.12921	5.2
169.12306	10.3
171.10265	13.3
177.12817	3.4
179.05522	3.2
181.12315	4.0
185.11797	13.0
191.05675	5.5
191.14394	11.3
195.13882	4.5
197.11827	100.0
197.13573	6.9
198.12198	6.4
199.13379	6.0
200.66136	3.2
209.11804	26.0
211.13446	17.1
227.12898	10.2
235.08249	7.4
237.11246	3.8
245.19016	17.2
253.09314	40.5
263.20148	10.1
289.18088	72.8
290.18176	6.6
291.19638	46.8
292.19846	9.3
293.21222	47.5
307.19128	43.6
308.19431	5.8
309.20712	73.6
310.21133	4.7
341.23294	33.9
342.23642	9.7
617.44128	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	852.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98530	0.1
67.03331	0.1
69.03437	0.1
70.94013	0.2
71.01394	0.6
73.02981	0.2
78.95905	0.3
79.95747	0.6
80.96519	0.6
85.02958	0.2
89.02462	0.2
94.98090	0.2
96.96011	1.5
101.02449	0.2
111.17217	0.1
113.02430	0.1
116.92850	0.7
125.02468	0.2
128.15475	0.1
145.05072	0.1
164.98642	0.3
169.01425	0.2
171.10266	0.2
191.05676	0.5
207.10262	0.1
209.11813	1.1
210.12219	0.4
211.13362	0.9
212.13719	0.2
225.11333	0.2
227.12875	0.2
228.74464	0.1
271.61893	0.1
345.12820	0.1
397.13702	0.3
507.88684	0.1
579.55542	0.1
777.45154	0.1
852.39221	1.0
853.39795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.29788	0.1
62.98522	0.1
69.86246	0.4
119.57488	0.1
230.31436	0.1
261.56976	0.1
737.34338	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00511	0.2
67.01867	0.4
69.03458	0.2
71.01384	0.7
71.52988	0.2
81.03448	0.3
82.72640	0.2
83.01387	0.3
85.02942	7.0
87.00880	1.4
93.02934	0.3
93.03461	2.9
99.00864	0.3
109.02940	1.2
111.00863	0.7
111.04493	1.0
113.02483	0.2
117.94672	0.2
127.04021	1.8
133.02934	0.8
135.04523	1.8
137.02441	0.5
139.00349	1.3
147.04480	0.3
149.06061	2.6
151.50356	0.2
155.03540	0.3
159.04527	0.5
161.02451	3.2
161.06073	0.4
162.02953	0.3
165.01901	1.1
165.05499	0.2
171.02985	0.6
173.04539	1.3
175.03987	0.7
177.01935	0.8
177.05537	0.4
179.03494	0.9
185.06117	0.2
187.03828	0.3
188.04808	0.4
189.05621	0.3
191.05594	100.0
192.05945	3.7
193.04993	0.4
203.07120	0.4
213.05507	0.3
219.03032	1.3
221.04510	0.2
229.05151	0.4
231.02943	0.8
231.06593	0.7
233.04630	0.6
237.04041	1.4
257.04370	0.5
259.02411	3.8
274.04843	0.5
275.05624	0.4
277.03632	0.4
293.06595	0.2
301.03403	0.3
319.04562	0.4
327.51288	0.2
337.05698	3.1
353.08710	16.1
354.08826	1.0
424.54834	0.2
437.10825	0.2
439.08652	1.0
481.09830	20.7
482.10132	2.6
499.10907	1.7
505.97128	0.2
737.88879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98828	100.0
62.98529	0.1
63.99252	0.1
71.01400	0.1
78.95913	0.3
79.95724	0.2
80.96506	0.5
85.02972	0.1
93.03429	0.1
93.99344	0.1
94.98067	0.1
96.96068	0.2
98.19867	0.2
116.92829	0.2
163.11305	0.1
169.01389	0.1
171.10333	0.1
173.84961	0.1
191.05652	0.5
192.05960	0.1
207.10222	0.1
209.11871	0.4
211.13527	0.1
218.83401	0.1
225.00829	0.1
229.40749	0.1
308.78958	0.1
397.62952	0.1
850.38855	0.2
851.41052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
62.99255	0.2
63.99242	0.3
71.01398	0.2
71.26828	0.1
77.47375	0.1
78.63575	0.1
78.91885	0.2
78.95918	0.5
79.95734	0.2
80.96517	0.2
89.19653	0.1
91.60227	0.1
96.96001	1.0
96.96974	0.2
125.09765	0.2
127.49565	0.1
171.10310	0.2
191.05721	0.3
209.11899	0.4
218.08951	0.1
289.18170	0.3
291.19571	0.2
309.21017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
74.60519	0.2
78.95905	0.4
80.96533	0.5
98.20740	0.4
124.90691	0.2
179.89313	0.2
213.98244	0.2
227.95357	0.2
271.62842	0.2
311.16922	0.6
358.72079	0.2
414.87122	0.2
429.14063	0.2
550.92084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.7
61.98820	3.5
69.03445	1.8
69.86307	0.6
71.01379	71.0
71.04970	0.8
71.85352	0.7
72.99302	1.6
73.02945	6.4
76.17453	0.7
80.02677	1.9
80.25788	0.7
81.03451	3.4
83.01389	2.3
83.05018	6.5
84.02180	1.3
85.02951	7.0
87.00860	5.8
87.13488	0.6
89.02443	17.4
93.03446	1.4
95.01391	2.0
95.04997	3.1
96.95980	1.0
97.02934	4.8
99.00880	2.2
101.02434	13.9
107.05022	0.9
109.02962	0.6
109.06586	6.2
110.03761	0.8
111.00919	1.2
111.04527	1.3
111.08187	0.9
113.02448	9.2
119.03514	5.7
123.04518	1.0
125.02458	6.6
125.06107	0.9
125.09716	2.6
127.11275	2.7
131.03462	1.5
135.08147	1.7
137.09753	0.7
139.04073	0.8
139.07625	1.8
141.01956	1.3
143.03529	3.2
146.98418	0.7
149.09750	1.6
151.11232	0.8
155.10774	2.2
161.04556	3.1
161.09657	0.8
163.11275	10.2
165.09235	1.0
165.12848	2.0
171.10262	32.2
172.10576	1.0
179.05655	4.5
181.12367	5.5
185.11801	2.1
189.09221	1.1
191.05576	3.4
197.11847	2.1
199.13519	0.9
201.11314	23.2
202.11716	1.1
207.10262	15.5
208.10532	1.6
209.11818	100.0
210.12172	6.5
215.12819	3.2
217.07202	1.1
221.06670	2.9
225.11322	35.5
226.11632	2.0
227.12869	14.4
235.08150	4.1
243.12384	4.1
251.12781	1.6
253.09186	2.1
305.09006	1.0
351.35141	0.7
358.91986	0.8
379.12436	4.0
397.13483	29.0
398.13922	2.8
415.14532	10.5
416.14926	1.2
417.22510	1.3
439.14471	1.8
471.10052	0.8
495.27902	1.5
578.35339	0.7
605.24371	2.3
607.25391	0.8
623.25458	4.6
658.98627	0.7
750.73419	0.7
797.36316	1.2
815.37634	4.0
816.37604	1.1
833.37854	3.9
834.39270	1.1
851.38519	4.6
852.39050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98828	100.0
71.01386	0.4
78.91907	0.4
78.95913	0.4
79.95735	0.4
80.91701	0.6
80.96506	0.9
87.48788	0.1
87.49326	0.1
94.98103	0.2
96.96022	0.5
101.02448	0.2
105.17698	0.1
121.11199	0.1
125.02498	0.3
134.84473	0.2
169.01431	0.3
171.10265	0.1
180.11099	0.1
191.05653	0.4
209.11792	0.4
225.00824	0.3
327.54556	0.2
341.23401	0.2
367.46484	0.2
747.37018	0.3
765.34454	0.4
851.42017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98827	100.0
71.01391	0.8
71.08106	0.2
71.57211	0.1
78.95918	0.4
79.95739	0.3
80.96532	0.3
89.02483	0.3
92.92796	0.2
94.98107	0.4
96.96024	0.9
96.96967	0.3
97.02973	0.1
101.02455	0.2
102.80396	0.1
113.02435	0.2
125.02470	0.1
171.10315	0.4
191.05667	0.3
201.11311	0.2
207.10320	0.2
209.11839	1.1
225.11382	0.3
227.12891	0.3
235.08202	0.1
335.78711	0.1
397.13828	0.3
573.71301	0.1
602.70740	0.1
850.39764	0.2
851.41144	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	850.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.1
61.98828	100.0
62.98532	0.1
62.99273	0.1
71.01376	0.1
71.61946	0.1
78.95905	0.3
80.96521	0.3
85.02961	0.1
86.73439	0.1
89.06452	0.1
96.96003	0.1
96.96977	0.1
102.88710	0.1
107.17521	0.1
108.70351	0.1
116.92906	0.1
135.04471	0.1
169.01418	0.1
191.05641	0.4
209.11905	0.3
225.11461	0.1
229.14417	0.1
230.99954	0.1
259.61459	0.1
344.76266	0.1
550.45178	0.1
775.14990	0.1
850.40088	0.1
851.40070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.4
61.98837	5.9
67.01857	0.8
68.99831	2.0
69.03474	1.8
71.01379	28.1
72.99310	3.9
73.02946	3.7
78.95903	1.3
80.02657	1.2
81.03452	3.1
83.01373	2.4
83.05024	7.3
84.02163	1.9
85.02964	6.5
87.00886	5.4
89.02442	16.4
93.03467	1.0
95.01386	2.6
97.02930	5.2
97.06593	1.4
99.00894	1.6
101.02441	12.9
106.95090	0.9
109.02956	1.7
110.03726	3.0
111.04517	10.7
111.08138	2.1
113.02441	7.2
119.03503	4.7
119.07703	0.8
121.02902	1.1
121.06611	0.9
123.04527	1.9
123.08153	1.4
124.01591	0.9
125.02451	6.0
125.06066	2.2
125.09702	5.1
126.90419	1.3
135.04489	2.0
135.08156	1.6
137.09645	1.0
141.01976	1.7
143.03465	2.7
144.42931	0.8
151.11285	1.9
153.09218	2.1
161.02473	2.0
161.04582	4.0
161.09726	6.4
163.11284	6.0
165.12849	2.7
171.10257	27.7
172.10590	1.4
177.09210	2.1
179.05620	4.5
179.10753	9.2
181.12283	1.1
185.11766	2.2
187.09691	1.1
191.05591	9.7
191.10783	1.1
192.06042	1.4
195.10310	1.5
197.11798	3.0
199.09758	1.2
201.11281	2.1
205.08659	8.4
207.10304	3.7
209.11813	100.0
210.12166	7.1
211.13498	1.1
213.11319	3.8
221.06615	2.8
221.11658	1.3
223.09731	35.1
223.13298	1.9
224.10133	2.2
225.11256	3.3
227.12904	12.8
229.07428	1.0
235.08229	3.7
241.10803	3.5
247.11868	0.8
251.12822	1.1
253.09192	1.6
287.07727	1.1
290.80966	1.0
323.07266	0.9
379.12579	2.7
396.02084	0.9
397.08334	1.6
397.13461	27.8
398.13885	2.0
415.14508	8.3
415.20328	1.3
474.27258	0.9
551.23224	1.6
573.75134	1.0
589.25287	1.7
603.23688	1.7
621.24194	3.4
639.24713	1.1
697.50037	1.1
795.35162	1.2
813.35352	5.8
814.35364	1.1
831.36530	9.5
832.36420	1.6
849.37256	11.3
850.37262	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	1.0
59.01382	15.7
61.98812	2.8
69.03419	0.9
69.21364	7.3
71.01016	1.0
71.01385	15.2
72.99294	2.0
73.02945	2.9
78.95899	1.2
80.96516	0.8
81.03459	1.1
83.01369	1.7
85.02966	4.4
86.39713	0.7
87.00864	2.9
89.02438	12.2
95.01363	1.1
95.04996	0.8
97.02929	2.2
97.06589	3.9
99.00854	1.2
101.02453	10.3
105.30460	0.7
113.02436	3.9
119.03461	2.2
125.02409	2.5
143.03490	0.8
151.10072	1.0
151.11272	10.8
156.60088	0.6
161.04530	1.7
169.12340	41.8
170.12686	2.3
213.11310	5.0
213.13132	0.9
221.06589	1.5
235.08307	1.0
255.23291	50.9
256.23645	3.4
397.13370	3.8
593.24524	1.4
604.98358	0.8
678.60217	0.8
849.48517	100.0
850.48883	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.3
69.03452	4.6
70.23824	0.7
71.01383	15.1
71.05008	2.7
72.99316	1.5
73.02941	3.1
80.02650	1.0
81.03449	2.0
83.01403	1.7
83.05036	5.3
85.02953	5.8
87.00882	4.1
89.02444	9.8
91.16404	0.7
93.03465	5.4
95.01376	1.5
95.05032	0.9
96.95995	0.6
97.02930	2.0
97.06601	0.8
98.20696	1.0
99.00910	1.7
99.56960	0.7
101.02436	9.3
109.06557	0.9
111.00838	0.9
111.04497	2.4
113.02454	4.1
119.03456	1.5
123.08164	1.6
125.02426	2.8
125.09701	3.3
133.02931	0.9
134.03737	1.2
135.04526	2.7
135.08191	0.8
142.02934	0.7
143.03473	0.9
146.04588	1.0
151.11270	2.4
153.12852	1.4
161.02437	1.9
161.04515	2.0
161.09770	3.3
163.11263	4.0
165.12849	2.2
166.13013	0.7
171.10237	1.1
173.04546	2.5
179.05577	0.8
179.10765	5.3
191.05602	19.4
191.10782	0.8
192.05933	2.1
195.06531	0.7
197.11818	55.0
198.12131	3.1
207.10237	1.4
209.11818	49.9
210.12125	3.3
221.06596	2.4
223.09711	1.6
225.11275	1.7
227.03421	1.1
227.12872	2.0
241.10847	4.0
246.85637	0.8
397.13470	2.3
415.14499	0.9
449.14349	2.0
568.18671	0.8
639.25092	1.1
765.75641	0.8
831.37787	0.8
849.37634	100.0
850.38074	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98539	0.2
71.01384	0.1
78.95929	0.2
85.02945	0.1
88.98821	0.2
93.03498	0.1
96.96009	0.2
98.20704	0.2
109.03016	0.1
112.82259	0.1
116.92850	0.1
125.02505	0.1
135.04539	0.3
136.04897	0.1
144.65976	0.1
171.10277	0.1
191.05542	0.6
209.11908	0.3
341.23282	0.1
439.28149	0.1
526.57068	0.1
545.32184	0.1
545.80542	0.1
656.32269	0.1
794.09821	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	849.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
59.36130	0.3
59.59209	0.3
64.18954	0.4
67.01898	0.8
67.59251	0.3
71.01376	1.2
71.53289	0.6
81.03444	0.4
83.04988	0.5
85.02946	7.8
87.00868	2.4
93.03447	4.2
99.04507	0.6
102.98586	0.6
109.02930	1.5
111.04492	1.1
113.02527	0.4
119.56048	0.4
125.02501	0.5
125.87050	0.3
126.50214	0.3
127.03983	2.3
137.02484	0.6
151.00417	0.7
151.03940	0.8
155.53249	0.3
161.02400	0.4
163.00354	0.5
171.02946	0.5
172.05263	1.4
173.04558	2.9
178.99849	0.6
183.04407	0.3
186.03206	0.4
187.04010	0.4
187.07635	10.2
188.07961	0.5
191.05600	100.0
192.05942	3.8
199.03947	0.9
213.09198	1.2
215.07108	1.5
227.03500	1.4
228.04163	0.8
229.08623	0.6
231.10315	0.6
253.03825	1.2
255.02931	1.8
257.08176	14.6
258.08484	1.1
271.02405	2.8
275.09174	1.0
295.83975	0.4
300.02686	7.1
301.03375	3.9
302.03839	0.4
311.27109	0.4
363.38309	0.4
368.61255	0.4
433.07709	10.0
434.08035	1.0
449.14520	7.7
450.14893	1.3
458.11224	0.5
559.17657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98827	100.0
62.98521	0.3
68.42104	0.1
71.01391	0.7
71.53388	0.2
73.82142	0.2
78.95913	0.4
79.95750	0.3
80.96525	0.3
83.05016	0.2
88.98818	0.3
89.02437	0.3
94.98058	0.3
95.05080	0.2
171.10323	0.3
191.05585	0.3
191.99673	0.2
209.11775	1.4
223.09564	0.2
225.11325	0.2
324.27094	0.2
397.13657	0.4
415.14362	0.2
441.38312	0.2
738.44739	0.2
840.35876	0.2
849.38501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98544	0.3
62.99252	0.1
71.53645	0.1
73.42722	0.1
78.91895	0.1
78.95919	0.1
88.98814	0.1
93.03513	0.1
96.96023	0.3
116.92864	0.2
171.10289	0.2
191.05637	0.3
209.11879	0.2
219.72003	0.1
223.78169	0.1
227.80525	0.1
235.78429	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	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56546	0.1
61.98829	100.0
62.98538	0.2
71.01382	0.2
72.73927	0.1
78.95911	0.8
80.96500	0.2
86.94147	0.1
88.98833	0.5
96.96011	1.5
96.96973	0.4
98.19753	0.3
124.97929	0.1
134.65860	0.1
152.99625	0.1
191.05649	0.4
200.27144	0.1
209.11951	0.2
223.09698	0.1
229.06993	0.1
309.71442	0.1
419.72360	0.1
486.85794	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	845.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	0.1
61.98829	100.0
65.29980	0.2
69.31483	0.8
69.31904	0.4
88.98817	0.7
125.02464	0.2
129.10362	0.5
140.07109	0.2
152.99597	0.1
169.01515	0.2
191.05612	0.7
197.16661	0.2
200.14124	0.2
207.15073	0.3
239.71829	0.1
242.18823	0.4
275.11148	0.2
295.21567	0.2
337.26218	0.2
471.35217	0.2
750.49872	0.2
782.51825	5.2
783.52161	1.4
845.47858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
63.96238	26.3
65.56560	0.4
69.96142	1.8
69.96553	0.9
71.01386	0.6
72.98889	0.9
72.99306	18.2
73.27513	0.4
73.98310	5.0
74.99091	1.1
80.96512	0.6
85.02948	5.7
87.00892	1.3
91.99378	1.0
91.99916	0.4
93.03442	2.3
98.20613	0.6
109.02973	1.2
111.04508	0.9
114.17730	0.5
117.97307	15.1
120.02873	0.4
127.04009	2.0
133.02963	0.6
135.04536	1.2
135.98357	100.0
136.98671	1.3
151.80743	0.4
158.26033	0.5
161.02431	1.6
173.04538	0.7
175.15718	0.6
191.05600	88.4
192.05913	3.2
245.98764	0.4
300.99860	0.7
353.08737	11.1
354.09109	0.9
491.12234	19.5
492.12488	1.9
520.03302	0.7
524.03632	0.5
532.75146	0.5
592.85461	0.5
713.95374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
60.99303	19.1
61.98819	2.2
65.91589	0.3
71.01403	0.5
71.44110	0.6
73.02967	0.2
73.53355	0.2
78.76600	0.3
80.96511	0.4
87.00867	0.8
88.00411	1.4
88.98801	100.0
89.02441	4.5
89.99158	1.0
93.03439	0.9
101.02462	0.3
105.41750	0.3
116.92850	0.5
125.02485	0.5
135.04494	0.8
171.10220	0.3
173.04529	0.4
179.03487	0.4
191.05569	2.1
197.11743	0.3
209.11754	1.7
223.13277	0.5
239.16560	0.3
291.19714	0.3
293.21280	0.7
309.20850	0.3
397.13358	0.4
653.29071	0.3
825.83881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
60.99305	19.0
61.98828	14.1
63.06744	0.4
71.01392	1.0
71.52563	0.5
72.99309	0.9
78.95894	0.7
87.00874	0.4
88.00397	0.8
88.98803	100.0
89.02431	2.3
89.99137	1.1
101.02450	0.5
104.89952	0.4
109.06612	0.5
125.02458	0.4
153.59177	0.4
169.01468	0.7
171.10239	0.8
191.05623	1.2
207.10287	0.9
209.11823	4.0
214.12619	0.5
225.11342	0.8
235.08023	0.5
291.19598	0.7
293.21140	0.4
307.19165	0.7
376.80975	0.4
541.35321	0.5
638.52167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
59.66249	0.2
60.99306	17.3
61.98826	2.1
69.50397	2.3
80.64191	0.3
80.96529	1.6
82.65717	0.3
85.02956	0.3
87.00878	0.8
88.00374	1.7
88.98804	100.0
89.02441	5.4
89.99141	0.8
93.03432	0.4
96.96001	0.5
125.02440	0.7
171.10281	0.8
180.24371	0.3
191.05536	1.1
195.13939	0.4
196.65910	0.3
205.12274	0.4
207.10323	0.4
209.11832	0.5
223.13377	2.6
253.09315	0.5
290.63776	0.3
291.19687	0.7
341.23248	1.9
437.89603	0.3
441.31226	0.3
459.22675	0.4
525.28790	0.3
746.01697	0.3
843.53375	0.9
871.50861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54721	4.8
61.98826	7.0
70.79430	3.9
71.01374	10.7
71.52322	4.4
71.52688	4.1
78.98589	12.3
79.95731	20.1
80.96518	100.0
82.06200	4.1
82.96073	5.7
94.98074	19.6
106.98102	5.7
114.90105	4.2
122.97569	10.0
134.97540	7.8
148.99103	6.4
164.98659	9.6
188.16161	4.6
201.93008	4.4
219.85637	4.1
225.00780	14.9
268.24228	4.4
270.86099	4.1
597.62909	4.9
652.44116	4.7
843.52820	76.0
844.53534	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.58195	0.8
63.07124	0.8
67.01877	1.1
69.03464	1.6
71.01386	1.8
71.53000	1.1
73.02911	0.8
77.50293	0.8
83.05010	0.9
85.02939	6.3
86.70861	0.9
87.00873	1.5
89.02431	0.9
92.80699	0.8
93.03442	4.6
96.96008	2.2
107.01391	15.7
111.04508	2.3
125.02442	48.7
126.02764	1.5
127.03982	2.5
135.04533	1.5
135.42561	0.9
161.02409	2.5
169.01421	100.0
170.01752	4.6
173.04517	3.2
191.05612	99.5
192.05952	4.3
230.64345	0.9
275.01782	1.6
300.99826	2.8
325.05679	1.9
343.06674	94.8
344.07159	7.3
353.08694	3.0
373.02939	1.0
389.06403	1.2
415.04147	1.4
463.72250	0.9
499.32828	1.0
505.02786	1.5
505.09854	29.2
506.10049	3.6
607.11462	1.2
651.09753	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	841.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	5.5
64.29620	0.7
69.03442	2.5
69.64838	0.8
71.01387	1.5
71.05006	3.1
73.79710	0.7
78.95920	1.7
83.05027	1.2
99.92525	0.8
109.06605	0.7
112.98552	0.9
116.92864	4.9
123.08159	1.0
125.09714	2.4
151.11218	2.2
153.12843	2.1
161.09735	2.6
163.11259	0.9
179.10785	8.3
185.11848	2.1
191.14439	0.8
197.11816	57.0
198.12099	4.3
209.11769	1.3
215.12741	0.8
223.09773	1.3
241.10797	100.0
242.11118	5.9
245.19005	0.8
247.20731	1.2
268.48111	0.8
273.18497	0.9
277.21722	0.9
289.18234	2.1
291.19534	4.0
307.19083	3.2
309.20676	14.4
310.21350	0.8
427.02115	0.9
469.29785	0.9
487.30725	2.4
489.32172	0.8
531.29541	1.3
533.31177	9.1
534.31482	1.8
549.30737	2.2
590.64099	0.8
599.40088	1.2
731.84326	0.9
796.80951	0.9
841.51233	6.5
842.51782	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	843.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.0
62.04750	0.9
67.01874	1.9
69.27132	6.4
69.27542	2.7
71.01371	8.9
73.02952	2.8
85.02949	18.5
87.00870	4.7
89.02433	9.6
93.03463	10.0
96.95995	1.1
97.02940	2.4
97.82946	1.0
99.00887	2.0
99.04496	1.6
101.02440	1.5
107.01420	3.0
109.02953	1.2
111.04504	3.4
113.02427	1.7
125.02446	15.9
127.03980	3.4
130.40442	1.0
131.03461	1.6
133.02933	1.1
135.04520	1.5
136.01617	2.1
137.02426	1.6
149.04494	1.5
151.03951	1.6
155.03554	1.1
161.02412	2.4
166.02744	2.2
169.01413	21.5
171.03014	1.7
173.04524	4.0
175.04015	1.3
181.05077	2.0
191.05598	100.0
192.05894	4.1
221.20668	1.0
227.03490	6.1
233.06621	4.1
241.06541	1.2
253.01347	1.9
275.01886	1.6
275.07187	1.1
279.03006	1.7
285.05554	1.6
289.04987	1.5
293.08768	10.5
294.08899	1.1
297.05695	1.1
300.99796	3.6
301.04962	3.4
303.03027	1.9
304.03790	1.8
305.04361	1.5
306.05441	1.1
309.04251	1.3
309.07675	1.9
314.05984	1.2
315.06384	2.2
317.04639	10.4
317.08270	1.8
318.05310	2.1
319.02454	1.7
319.06097	2.9
320.03073	1.5
321.03946	3.9
321.07535	1.4
325.04984	2.7
327.03073	1.3
327.06577	1.5
329.04465	2.8
330.05142	2.7
331.05829	1.6
332.03110	4.4
333.04071	2.8
335.05545	3.6
341.04459	2.0
343.06534	25.1
344.07019	1.2
345.03915	5.3
345.07645	4.2
346.04562	2.4
347.05551	6.9
353.04886	1.5
353.08704	8.9
356.03180	2.3
359.01819	9.2
359.05539	1.8
360.02567	2.0
361.03345	3.0
363.08774	2.5
369.03943	4.1
370.04709	2.6
371.01035	1.4
371.05539	13.7
372.02460	2.4
373.03470	10.4
374.03918	1.7
387.05096	5.4
387.14124	2.2
389.06583	10.5
397.03558	5.1
398.04138	1.4
407.07520	3.8
414.99274	2.1
415.04541	20.0
416.04962	2.9
433.05536	4.6
505.09714	9.4
553.09845	4.7
563.11646	1.3
607.10913	21.4
608.11426	3.6
651.09857	48.0
652.10138	6.9
681.24023	1.2
799.17712	1.6
843.16241	15.2
844.16260	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	841.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
61.98824	0.4
64.82039	0.1
71.23390	0.1
71.23759	0.2
73.02946	2.6
73.99834	0.1
75.00845	0.1
78.95898	0.1
87.00872	0.1
97.93168	0.2
99.00858	0.5
99.92583	12.7
100.92613	0.5
114.93423	0.6
116.03581	0.1
116.92860	100.0
117.01096	0.2
117.01939	4.1
117.92864	5.0
135.90045	0.1
139.73230	0.1
205.18842	0.1
206.63426	0.1
209.11923	0.1
250.53178	0.1
277.21750	0.2
311.92075	0.1
508.27859	0.1
643.21710	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	841.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54020	0.1
60.62945	0.1
61.98827	0.4
65.80658	0.1
71.52393	0.1
73.02937	1.7
74.56161	0.1
75.00829	0.1
78.95937	0.1
79.53214	0.1
91.36799	0.1
97.93159	0.1
99.00870	0.4
99.92577	12.8
100.92586	0.5
114.93423	0.5
116.92852	100.0
117.01929	3.0
117.03231	0.1
117.92860	5.8
123.54185	0.1
136.96445	0.1
146.66548	0.1
165.88629	0.1
209.11906	0.2
277.21594	0.1
309.51028	0.1
344.16293	0.1
414.55103	0.1
661.24646	0.1
762.78265	0.1
867.19775	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	841.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23813	11.7
61.41003	13.7
61.98819	50.1
69.15696	54.7
69.16122	100.0
73.76412	16.0
77.56993	13.2
78.95904	41.8
80.96539	26.7
112.98522	13.8
196.89482	18.8
197.11946	20.8
277.21707	39.7
309.20560	20.7
465.22449	13.2
730.57050	15.1
841.50787	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
63.13000	1.1
71.01379	5.2
72.99310	1.3
73.02944	1.8
81.03472	1.3
83.01379	3.4
83.05008	3.9
85.02946	3.4
87.00866	1.2
89.02451	1.9
93.03450	12.3
95.01374	2.9
95.73449	1.3
97.02908	1.8
99.00887	1.4
101.02427	2.4
107.01367	5.2
109.02925	4.0
111.00872	3.5
111.04512	15.8
120.93486	1.3
123.00883	14.9
124.64987	1.3
125.02441	25.8
135.04492	4.0
137.02438	3.7
139.00357	4.3
140.00999	1.2
151.00357	10.7
153.01971	3.3
153.05518	1.9
155.03526	11.0
161.49876	1.2
164.01137	1.9
165.01947	1.2
168.00650	3.9
169.01414	51.5
170.01768	2.3
173.04500	5.4
179.03461	3.0
191.05602	24.7
192.00621	4.6
192.05797	2.1
193.01309	1.4
197.04515	2.7
211.02428	10.1
271.04678	1.7
278.80557	1.1
313.05627	3.4
315.60883	1.5
331.06726	18.5
350.82703	1.3
353.08646	1.5
451.08942	1.7
469.03705	2.2
469.09836	24.2
470.10150	3.9
487.10919	100.0
488.11200	11.9
553.55359	1.2
575.85876	1.4
731.47510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	9.0
61.98829	100.0
71.01369	13.4
78.95899	9.0
80.91676	8.5
80.96525	9.9
82.95390	4.9
95.19723	4.5
96.96001	5.9
98.20766	8.8
103.04289	5.2
109.67703	4.9
163.11284	8.7
171.10291	12.1
191.05630	7.5
193.10405	4.9
197.11781	11.7
207.10231	16.3
209.11830	96.9
210.12160	7.8
225.11334	22.0
226.11646	6.0
227.12872	21.4
253.09291	28.9
289.18103	24.7
291.19687	6.9
301.14874	4.8
305.73138	6.1
307.19034	20.9
309.20618	22.4
317.65652	5.2
349.52808	4.8
461.19965	6.7
487.34274	9.2
753.39960	5.8
771.42328	11.6
839.41541	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	839.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.3
61.98828	1.7
69.03459	1.4
71.01379	5.6
72.99318	0.7
73.02949	1.4
77.38136	0.4
78.95923	0.8
80.91698	0.4
80.96520	0.4
83.01392	0.6
83.05008	0.5
84.02159	0.4
85.02953	5.6
87.00861	2.0
89.02441	4.3
90.76527	0.4
95.01430	0.5
95.05013	0.7
96.95952	1.0
97.02942	1.3
97.06599	2.5
98.20676	0.8
98.34402	0.4
99.00855	0.5
101.02444	4.9
109.06561	0.5
111.00900	0.4
113.02454	2.8
119.03484	1.2
125.02458	0.7
125.09748	1.0
127.11272	1.3
137.09738	0.8
143.03508	0.6
145.05077	0.7
155.10788	1.2
161.04544	2.6
163.11322	0.5
167.10748	1.0
169.01413	0.8
171.10258	13.6
172.10599	0.8
177.12849	0.6
179.05602	1.1
179.14412	0.7
183.13872	2.1
185.11821	1.3
188.64636	0.4
191.05597	0.8
193.12250	0.6
195.13908	7.2
196.14549	0.4
197.11716	0.6
199.13449	0.4
201.11391	0.7
203.10939	0.4
205.12270	0.8
205.15874	0.4
207.10349	0.8
209.11821	1.5
211.13383	13.6
212.13673	1.1
221.11876	2.1
223.13374	5.5
227.12788	0.6
228.13664	0.6
229.12320	0.6
229.14484	9.2
229.16751	0.8
231.21130	0.4
235.08234	7.1
239.12912	2.1
245.34398	0.4
253.09276	31.2
254.09639	1.0
256.13184	0.7
275.20126	4.7
276.20520	0.5
291.19647	4.1
292.19910	0.5
293.21222	100.0
294.21579	8.5
309.20761	6.7
310.20950	0.5
327.21750	71.0
328.22089	6.6
478.58875	0.5
529.30194	1.8
539.63049	0.5
545.29651	1.5
563.30664	4.7
564.31592	0.4
603.42737	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	839.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20066	0.1
61.98820	0.7
71.01384	0.2
71.50485	0.2
71.52289	0.2
73.02943	1.5
78.95892	0.5
87.92220	0.2
99.00878	0.5
99.92583	13.0
100.92593	0.5
113.02348	0.2
114.93410	0.5
116.92858	100.0
117.01937	2.6
117.92870	5.5
135.20003	0.2
156.26939	0.2
191.05621	0.4
204.83328	0.2
244.52319	0.1
256.64636	0.2
277.21722	0.3
291.19809	0.3
293.20816	0.2
428.17993	0.2
550.67596	0.2
681.22473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.7
71.52495	0.2
73.02941	1.7
75.00896	0.2
78.80064	0.1
78.95895	0.6
87.00861	0.1
96.95981	0.1
97.93171	0.2
99.00872	0.5
99.92582	13.3
100.92602	0.7
114.93397	0.5
116.92858	100.0
117.01936	2.9
117.92868	5.6
150.80920	0.1
167.71916	0.1
191.05641	0.5
209.11806	1.0
277.21713	1.7
278.22070	0.2
293.67001	0.1
586.36505	0.1
592.55194	0.1
621.04614	0.1
747.46735	0.2
839.13269	0.2
839.29352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93978	0.3
59.01377	5.8
60.45696	0.3
61.98827	2.7
67.01871	0.2
68.99559	0.4
69.03452	0.9
71.01376	5.6
71.12878	0.2
72.99325	0.4
73.02949	1.7
78.35352	0.3
78.95911	0.4
80.96526	0.5
81.03473	0.3
81.35727	0.3
83.01392	0.8
83.05036	0.7
84.02168	3.2
85.02948	1.2
85.03416	0.3
87.00875	1.5
89.02450	3.3
95.01430	0.5
97.02949	0.9
97.06590	4.3
98.19755	0.6
99.00864	0.4
99.04523	0.8
101.02438	5.0
107.05019	0.2
112.98577	0.7
113.02455	3.1
116.12403	0.3
116.92815	0.3
119.03515	1.1
121.10251	0.3
125.02451	0.5
125.09734	0.8
133.05069	0.6
135.08157	0.3
136.48201	0.3
137.09712	0.4
143.03450	0.5
145.05051	1.0
152.72675	0.3
157.05017	0.3
161.04570	2.3
165.12814	0.3
171.10255	6.7
172.10706	0.3
175.11215	0.6
179.05502	0.6
183.13873	1.7
185.11848	0.3
193.12326	5.4
194.12697	0.6
196.27206	0.3
197.11823	0.3
209.74474	0.3
211.13507	2.1
221.11850	0.4
225.14964	8.9
226.15262	0.6
229.24991	0.4
235.05797	0.6
235.08217	13.5
236.08568	0.7
243.15984	3.9
244.16429	0.4
253.09277	15.4
253.14522	0.6
254.09595	0.8
265.18011	0.4
275.20187	0.5
277.21698	100.0
278.22049	9.7
291.19699	1.2
292.94925	0.3
305.21204	0.8
323.22327	1.9
341.23285	69.0
342.23608	6.7
577.32391	0.9
598.12097	0.3
601.44843	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	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
61.98829	12.2
69.03432	1.0
71.01383	4.8
71.52675	1.1
78.91895	4.1
78.95900	7.1
80.96535	0.9
83.01360	0.8
83.05025	1.0
85.02938	1.5
87.00878	1.6
89.02451	4.4
94.72581	0.8
95.35648	0.8
96.96010	4.9
96.96948	5.3
97.02959	1.3
97.06598	1.1
101.02445	4.7
108.27243	0.8
109.06561	1.2
111.08155	17.3
112.08522	0.8
112.90768	0.7
113.02455	2.8
119.03476	1.8
125.02441	1.0
127.07649	1.5
151.11212	1.1
153.09239	0.7
153.12834	1.5
161.04529	1.9
169.12309	6.9
181.12349	1.4
191.05597	1.4
197.11821	80.6
198.12201	5.0
199.13438	4.2
211.13391	10.9
223.13408	1.0
227.12877	2.5
235.08231	2.4
253.09264	23.1
254.09547	1.1
263.20142	5.3
265.18069	2.3
273.18530	1.7
277.21753	1.1
278.72318	0.9
289.17899	0.7
291.19632	25.7
292.19974	2.2
309.20691	100.0
310.20996	10.3
312.33743	0.9
433.20520	1.4
471.34991	1.1
472.16147	0.8
545.29944	2.2
595.63379	1.0
601.40845	1.8
655.78937	0.8
791.89252	0.9
837.48077	1.1
839.77600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.5
61.98837	6.3
65.76655	1.0
66.37717	1.0
69.03443	2.3
71.01385	14.5
72.99297	1.1
73.02939	2.4
78.95906	5.4
79.95724	2.0
83.01401	1.9
83.05029	2.5
85.02939	4.9
87.00867	3.8
89.02438	8.4
93.03433	1.1
93.36127	0.9
95.01413	1.0
95.05039	1.9
96.96004	21.3
96.96964	3.0
97.02943	2.4
97.06578	4.1
98.20668	2.6
99.92525	1.9
101.02443	11.6
109.06570	1.9
111.08157	21.6
113.02452	5.6
113.09711	1.5
115.92054	2.5
116.92860	1.5
119.03476	2.3
123.04514	2.0
123.08150	1.3
125.02363	1.5
125.09721	7.7
132.92253	1.0
134.84270	1.1
135.08180	1.6
137.09697	2.8
143.03513	1.9
151.07585	1.3
161.04536	4.0
163.11253	3.4
165.12857	1.8
167.10730	4.9
169.01396	1.0
169.12292	4.2
171.10222	4.8
177.12808	2.3
179.05511	1.4
179.10733	2.0
179.14339	1.3
181.12299	2.5
183.06241	1.1
183.13879	1.4
183.85901	1.0
185.11803	7.0
191.05473	1.5
191.14403	3.4
193.12369	1.3
195.13882	14.2
197.11815	55.9
198.12170	3.8
199.13408	3.0
201.11320	17.1
202.11653	1.5
205.12283	1.6
207.10297	1.8
209.11833	14.1
210.12114	1.8
211.13394	8.6
221.11899	1.2
223.13321	7.6
225.11304	1.9
227.12843	4.5
235.08170	3.6
237.11241	2.7
245.19121	8.8
247.20706	1.4
253.06694	1.7
253.09280	31.5
254.09528	1.6
255.23099	6.0
256.13220	1.4
263.20099	4.6
265.17920	1.8
273.18594	3.1
275.20132	8.1
277.21793	7.7
289.18063	36.1
290.18335	3.5
291.19644	100.0
292.19934	9.9
293.21201	72.9
294.21606	7.9
307.19119	23.7
308.19513	2.1
309.20706	46.3
310.21030	4.8
311.22412	1.9
397.13394	5.3
413.45526	1.1
415.14633	1.7
445.20676	2.2
483.27002	1.4
801.88257	1.2
837.43622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
60.04448	0.1
61.98827	100.0
62.98544	0.1
68.99558	0.8
71.01386	0.3
74.81364	0.1
79.95738	0.1
80.96507	0.2
81.01180	0.1
85.02950	0.2
89.02460	0.1
93.03470	0.2
96.95970	0.2
111.53946	0.1
112.98564	0.8
114.93454	0.1
116.92858	0.2
169.01501	0.1
187.58427	0.1
189.53877	0.1
191.05676	0.3
197.92339	0.1
209.11856	0.6
210.12166	0.3
227.12941	0.1
353.99030	0.1
397.13531	0.1
836.38391	0.2
837.40753	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	836.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.93956	0.1
70.84470	0.3
71.24651	0.1
77.43819	0.1
80.96516	0.3
85.25944	0.1
170.71660	0.1
268.13312	0.1
281.07578	0.1
285.76392	0.2
419.20111	0.1
580.93506	0.1
837.47754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
69.03461	1.5
71.01379	3.3
71.53224	1.4
85.02943	1.7
87.00853	1.2
89.02393	1.1
93.03458	1.3
96.96033	1.6
97.02983	0.9
97.44963	0.7
101.02431	1.2
107.01385	3.0
111.00858	1.0
118.01715	1.0
123.00902	2.6
125.02446	33.0
135.04518	1.3
139.00377	1.5
140.01111	1.1
151.00356	2.0
151.41809	0.8
161.02368	1.6
168.00642	6.3
169.01419	47.6
170.01801	2.5
191.05583	18.8
192.05962	2.5
193.01482	1.1
211.02481	19.2
212.02803	1.3
230.10255	0.8
233.58063	0.8
241.03555	2.4
271.04565	33.4
272.04892	2.6
300.35257	0.8
301.00180	0.9
313.05685	8.7
331.06680	4.5
335.30750	1.0
373.11337	1.1
439.08945	1.4
483.07761	100.0
484.08087	13.4
485.08545	1.5
515.97021	1.0
637.05634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.4
61.98827	100.0
62.27402	1.4
69.03452	2.9
71.01376	12.3
71.05025	1.5
72.25526	1.6
72.99290	2.3
73.02944	3.8
73.12291	2.2
73.71606	1.5
78.91885	2.7
78.95907	23.4
79.95713	3.6
80.96528	4.1
81.03436	2.5
83.01376	3.4
83.04998	3.9
85.02969	7.5
87.00870	3.5
89.02442	9.3
93.03468	3.2
94.98038	2.3
95.01338	2.1
95.05022	2.7
96.96010	7.0
96.96946	5.6
97.06594	3.8
98.19836	2.7
101.02445	11.0
107.05033	3.2
109.06578	4.4
111.08139	7.7
113.02464	6.0
119.03524	2.4
123.08207	1.9
125.02426	2.9
125.09744	3.1
135.08134	2.3
137.09712	4.5
145.05139	1.9
149.06036	1.6
152.99611	9.1
161.04587	3.6
163.11267	4.8
169.12315	5.0
171.10257	2.6
177.12862	4.6
179.14452	1.9
181.12096	1.6
185.11806	3.7
191.05591	4.3
191.14374	6.5
195.13890	19.6
196.14412	1.7
197.11830	48.9
198.12166	2.5
199.09795	2.6
203.10699	3.8
203.14366	2.2
209.11845	23.2
211.13367	7.6
221.11795	2.9
221.15309	1.9
223.13396	5.5
225.11420	3.2
227.12859	3.7
229.12381	3.4
235.08151	8.0
235.13414	7.9
237.11285	2.7
237.14905	5.1
241.01138	5.3
243.17357	1.9
245.04265	4.0
245.18962	8.5
247.13417	14.5
253.09229	26.4
254.09630	2.0
255.23216	3.4
261.18491	5.0
263.20270	4.1
265.14499	7.7
275.20123	4.9
277.21762	8.5
279.19699	2.0
287.16470	7.0
289.18106	33.7
290.18396	3.5
291.19696	21.2
292.19989	3.4
293.21231	81.6
294.21536	4.9
305.17548	28.1
307.19144	38.2
308.19449	5.1
309.20709	44.0
310.21140	4.3
338.31766	1.7
361.35501	1.7
380.46185	1.6
397.13184	1.8
457.21213	2.4
465.96848	1.8
467.39081	1.8
471.22379	2.8
481.25601	6.6
483.22491	2.4
541.25916	2.8
543.28015	2.6
751.49884	1.7
764.94012	1.7
777.44159	4.3
817.47491	2.0
835.41626	13.0
836.43085	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	835.4169
Annotation	Microtoenin B
Peak:m/z	Relative Intensity
59.01366	1.4
61.98828	100.0
62.98561	0.8
63.96242	0.7
69.03458	1.0
70.98055	0.7
71.01368	5.4
78.91877	1.8
78.95897	3.9
78.98588	2.0
79.95734	15.7
80.91686	8.4
80.96516	33.8
83.04999	0.7
85.02958	2.3
87.00865	1.3
88.98809	0.8
93.03460	0.8
94.98082	7.6
96.96014	2.6
96.96978	0.9
97.02990	1.0
98.20753	1.7
101.02463	1.3
106.98054	1.7
107.21826	0.7
122.97603	1.4
125.02441	2.4
134.97549	2.1
136.99138	0.7
148.99135	1.5
152.98666	2.2
164.98657	5.5
169.01379	1.5
169.18739	0.7
184.33095	0.8
191.05646	4.2
197.11760	1.1
206.99748	1.4
209.11894	4.8
225.00697	9.5
227.12946	0.9
283.04877	0.9
286.25861	0.8
295.22760	2.1
309.20670	1.0
317.01788	0.8
341.05322	1.0
349.15564	2.4
455.31595	3.9
485.32849	5.8
486.32947	0.8
538.11377	0.7
645.55878	0.8
659.35187	1.6
694.10144	0.8
749.30176	1.3
835.41400	39.0
836.41583	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.3
59.01376	10.4
61.98816	0.2
64.36694	0.2
69.03446	0.5
71.01379	8.0
72.99298	0.6
73.02945	1.2
80.02662	1.3
80.93923	0.2
81.03458	2.1
83.01385	0.8
83.05024	5.3
84.02173	1.2
84.05358	0.3
85.02946	2.0
87.00884	1.8
89.02439	7.0
93.03448	0.6
95.01415	0.6
95.05019	0.9
96.95982	0.4
97.02937	1.2
97.06558	0.3
98.19899	0.4
99.00893	0.3
101.02436	6.6
107.05030	0.3
109.02959	0.2
109.06595	0.5
111.00920	0.3
111.04510	0.3
113.02439	3.5
119.03503	2.2
125.02444	2.7
125.06048	0.6
125.09711	0.4
131.03496	0.4
133.05106	0.3
135.08112	0.5
137.02097	0.2
143.03484	1.2
161.04597	1.8
163.11287	4.2
165.12816	2.1
171.10237	1.0
179.05615	2.2
181.12329	0.8
191.05566	0.6
191.10794	1.3
199.06024	0.3
209.11810	100.0
210.12144	6.9
217.07170	0.3
221.06635	0.9
221.11801	0.3
227.12872	15.3
228.13116	1.2
235.08202	2.4
238.28410	0.3
247.13379	0.8
251.12827	0.4
253.09315	0.5
263.07327	0.3
287.07440	0.5
305.08789	1.0
323.09711	0.6
379.12363	2.0
397.13480	19.1
398.13812	1.6
415.14569	5.1
416.14954	0.7
589.25647	0.2
607.26208	0.8
799.37408	0.4
800.39343	0.3
817.38678	0.4
835.38110	0.4
856.35822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.4
59.01379	9.1
61.38387	0.1
69.03444	0.5
69.27569	0.9
71.01379	8.0
71.05012	0.2
72.01714	0.1
72.99293	0.5
73.02943	1.2
75.00897	0.2
80.02673	1.2
80.77924	0.1
81.03450	1.8
83.01392	0.9
83.05022	5.6
84.02175	0.9
84.05345	0.2
85.02949	2.2
86.00117	0.2
87.00876	1.9
87.04514	0.1
89.02441	7.4
92.17395	0.1
93.03459	0.4
95.01376	0.6
95.05029	0.9
96.95977	0.3
97.02947	1.2
97.06586	0.3
99.00864	0.5
99.04512	0.2
101.02439	6.1
109.02957	0.3
109.06569	0.5
111.00886	0.2
111.04493	0.2
113.02442	3.7
119.03490	1.8
123.08108	0.2
125.02440	3.0
125.06089	0.7
125.09705	0.4
131.03490	0.5
133.05096	0.2
135.08167	0.7
139.04015	0.3
139.07652	0.1
141.01881	0.1
143.03477	1.3
144.89632	0.1
145.05070	0.1
147.11821	0.3
149.04587	0.2
149.09714	0.1
161.04544	1.5
163.11278	4.6
164.11612	0.1
165.12830	2.8
171.10281	1.1
178.81630	0.1
179.05579	2.0
181.12343	0.7
185.04460	0.1
191.05638	0.3
191.10785	1.1
195.31763	0.1
199.06171	0.2
199.13370	0.4
207.10229	0.1
209.11810	100.0
210.12146	6.6
217.07170	0.3
221.06656	0.6
221.11797	0.2
223.13411	0.4
227.12868	14.0
228.13191	1.1
235.08202	2.2
236.08438	0.1
245.06773	0.2
247.13318	0.7
251.12837	0.4
253.09248	0.3
259.08109	0.2
263.07779	0.3
265.14471	0.4
277.09180	0.2
287.07657	0.8
305.08777	0.9
323.09848	0.5
361.11331	0.2
379.12451	2.1
397.13464	17.2
398.13776	1.6
401.23187	0.2
415.14569	5.2
416.14883	0.5
419.24142	0.3
589.25385	0.3
590.03528	0.2
607.26044	0.8
773.36194	0.1
799.37360	0.7
800.37561	0.1
817.38330	0.4
835.39417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98827	100.0
62.98507	0.2
68.99578	0.2
70.00462	0.4
71.01418	0.1
80.96528	0.2
86.98941	0.1
96.70623	0.1
98.20663	0.1
112.98579	0.1
116.92856	0.2
119.03550	0.1
171.10310	0.1
189.96953	0.1
197.11847	0.1
199.09758	0.3
209.65376	0.1
254.60405	0.1
255.23366	0.4
277.21689	0.2
340.89301	0.1
397.13559	0.4
835.45599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26202	0.1
59.01355	0.2
61.98829	100.0
62.98532	0.2
69.32436	0.9
71.37936	0.1
72.03895	0.1
78.91904	0.5
78.95919	0.3
79.95741	0.2
80.91693	0.1
80.96517	0.2
89.98196	0.1
94.98069	0.1
96.96042	0.2
97.29388	0.1
98.20659	0.2
108.39536	0.1
113.02499	0.1
137.09859	0.1
191.05675	0.2
209.12000	0.2
213.51321	0.1
289.17984	0.1
344.37567	0.1
646.74109	0.1
834.52661	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	835.251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12769	0.6
59.01377	21.7
68.83794	0.6
69.03452	24.0
69.45236	1.0
69.45647	4.0
70.03792	1.0
71.01374	10.3
72.99300	1.6
73.02949	0.9
83.01366	0.6
85.02958	4.1
87.00887	1.0
89.02442	9.0
89.09757	0.5
93.03430	1.2
95.01372	0.7
95.05025	5.5
99.00870	0.8
101.02418	6.2
106.04227	1.4
109.02959	1.0
113.02462	4.1
117.03490	1.0
119.03503	3.6
121.02928	1.9
121.05084	1.5
121.06596	11.4
123.04495	1.8
132.02158	0.6
132.25563	0.5
133.02948	16.8
134.03685	1.4
135.04527	36.2
136.04843	1.2
139.00348	1.5
139.03996	1.0
139.07657	1.2
149.02376	0.7
151.34654	0.6
161.02440	68.3
162.02788	3.9
165.05544	3.8
169.01347	1.1
174.59096	0.6
179.03491	20.9
180.03722	0.7
183.06647	1.4
191.05603	12.7
209.04599	2.4
224.67636	0.6
229.01335	0.6
316.91769	0.6
345.11810	4.5
353.08755	1.4
389.10867	39.7
390.11273	4.0
394.91302	0.7
443.12048	2.7
444.12366	2.3
445.13446	100.0
446.13791	11.1
466.97424	0.6
610.09387	0.8
835.26794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.01348	0.1
71.10474	0.2
78.95914	0.2
79.95745	0.1
80.96518	0.3
96.96012	0.2
119.31526	0.1
126.34590	0.1
126.50852	0.1
128.83717	0.1
145.59300	0.1
197.11931	0.2
202.36447	0.1
209.11823	0.2
294.44916	0.2
451.86356	0.1
486.35794	0.1
609.33655	0.1
672.65601	0.1
835.40613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05862	0.2
59.01374	0.3
61.98828	100.0
63.51334	0.1
68.99591	0.2
71.01414	0.3
78.91875	0.9
78.95907	0.2
79.76991	0.1
79.95737	0.5
80.96518	1.2
85.02974	0.2
89.02435	0.2
94.98070	0.2
96.96018	0.5
99.55112	0.1
112.98627	0.2
122.97495	0.2
148.99223	0.2
155.10794	0.3
161.04593	0.2
171.10304	0.2
197.11771	0.2
199.09816	0.2
213.11353	0.3
225.00697	0.2
233.46738	0.2
253.09308	0.3
255.23241	0.3
275.19885	0.2
293.21292	1.1
305.17670	0.3
323.18582	0.3
530.25507	0.2
731.36737	1.0
835.42505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
60.31150	0.2
61.98829	100.0
66.70958	0.2
71.01385	0.6
71.53541	0.4
75.00854	0.3
78.91884	2.3
78.95898	1.0
79.95731	1.4
80.96519	1.7
84.22504	0.2
85.02937	0.4
87.00873	0.3
94.98097	0.4
96.96006	0.4
109.06647	0.2
125.02484	0.3
138.13326	0.2
152.99614	0.2
164.98662	0.2
169.99716	0.2
191.05634	0.6
201.56378	0.2
207.10287	0.5
209.11861	1.2
210.12144	0.4
211.13425	0.2
225.00745	0.5
225.11476	0.2
241.01199	0.3
397.13580	0.2
446.70969	0.2
466.13593	0.2
503.34036	0.2
525.46472	0.2
620.16748	0.2
677.99475	0.2
688.21503	0.2
817.37305	0.5
834.38287	0.8
834.51947	0.4
835.38153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
61.98829	100.0
62.98525	0.2
70.54413	0.2
70.54772	0.2
78.95911	0.3
79.95732	0.1
87.98119	0.1
96.96047	0.2
119.75980	0.1
154.10611	0.1
169.01353	0.1
171.79456	0.1
188.11407	0.1
191.05621	0.1
207.10181	0.1
209.11841	0.4
293.21133	0.1
312.23978	0.1
320.77277	0.1
438.22668	0.1
537.04822	0.1
539.33960	0.1
618.54816	0.1
625.81543	0.1
649.68402	0.1
834.37952	0.1
835.39990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.3
63.99265	0.4
69.40464	0.1
71.01386	0.2
78.91920	0.1
78.95909	0.7
79.62735	0.1
80.91700	0.3
80.96509	0.3
81.18972	0.1
82.95433	0.4
83.05057	0.1
85.02957	0.1
94.98141	0.1
96.95998	0.8
96.96957	0.2
106.09361	0.1
112.46301	0.1
125.02457	0.2
171.10318	0.2
191.05659	0.5
209.11832	0.2
211.13416	0.2
291.19522	0.1
293.21240	0.2
311.22577	0.3
718.27502	0.1
834.51489	0.6
835.41125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
59.50984	0.1
61.98829	100.0
68.99565	0.3
70.14529	0.1
70.60586	0.2
70.60921	0.4
71.01382	1.6
73.02969	0.1
78.95908	0.6
79.95734	0.2
80.96526	0.3
83.01386	0.2
85.03004	0.2
87.00872	0.2
89.02447	0.4
93.03467	0.2
96.76232	0.1
96.96014	0.4
97.02988	0.2
101.02482	0.3
109.06601	0.2
113.02500	0.1
114.93399	0.2
116.92888	0.4
125.02465	0.3
153.42001	0.1
163.11240	0.2
169.01491	0.2
171.10301	0.3
191.05597	1.0
197.11850	0.5
199.13445	0.2
201.11316	0.2
207.10313	0.5
209.11839	1.6
211.13402	0.8
225.11368	0.5
227.12900	0.6
253.09422	0.2
273.17075	0.2
397.13467	0.7
415.14731	0.2
417.42935	0.1
753.07538	0.2
832.13947	0.2
834.38556	0.3
835.39142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
61.98833	2.5
62.94224	0.3
69.85199	0.5
69.85594	0.8
71.01391	1.5
73.02982	0.3
78.95889	1.0
79.95737	0.8
80.96508	1.4
85.02964	0.3
87.00901	0.4
89.02439	0.8
94.98051	0.3
101.02429	0.8
113.02453	0.8
122.97582	0.5
152.99623	0.4
161.04480	0.5
210.66403	0.3
235.08183	1.3
241.01077	0.5
253.09271	4.1
255.23387	0.8
259.20810	0.5
277.21698	100.0
278.22055	10.2
279.23129	0.7
513.30634	0.5
833.50861	2.2
834.51514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
61.98830	100.0
63.99247	0.3
69.31142	1.5
71.01382	0.5
78.95904	1.5
79.95718	0.3
80.91709	0.2
80.96514	0.7
88.98784	0.2
90.95044	0.2
94.98087	0.3
96.35945	0.2
96.96003	2.1
96.96967	0.7
101.02509	0.3
111.08089	0.2
150.86475	0.2
169.01537	0.3
171.10301	0.3
172.88847	0.2
191.05537	1.0
197.11856	0.3
209.11864	0.3
211.13403	0.3
225.00719	0.3
289.18167	0.7
291.19818	0.3
293.21292	0.4
309.20798	0.5
390.84628	0.2
577.40851	0.2
613.29663	0.2
626.81927	0.2
668.09863	0.2
834.51630	0.6
835.41370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.5
59.01376	29.8
61.98820	0.8
65.03949	1.2
69.03451	1.7
71.01011	1.1
71.01387	22.6
72.99310	2.0
73.02953	2.9
80.02680	2.9
81.03458	5.3
83.01381	2.2
83.05029	9.9
84.02184	1.7
85.02938	5.4
87.00887	5.1
89.02441	18.5
93.03457	2.6
95.01371	1.2
95.05016	1.5
97.02943	9.5
97.06604	1.4
99.00880	2.8
101.02441	15.4
107.05030	1.7
109.06589	27.4
110.03711	1.5
111.00900	1.0
111.04530	2.7
113.02443	8.9
119.03513	4.5
121.02869	1.0
121.06595	2.6
123.04544	1.1
123.08196	0.9
125.02455	5.6
125.06148	0.8
125.09714	2.6
127.28687	0.7
133.06519	0.9
135.08147	5.3
136.05295	1.5
138.71071	0.7
141.01909	1.3
142.02707	2.1
143.03461	1.8
145.10278	1.0
150.22691	1.0
161.04552	2.8
161.09686	1.7
163.11293	20.2
164.11580	1.6
165.12883	4.0
171.10272	3.3
173.09821	0.8
179.05544	4.0
179.10764	1.2
181.12337	4.1
185.11749	1.1
189.09129	1.8
191.05678	0.7
191.10822	1.6
199.13501	0.9
201.11221	1.1
207.10254	74.8
208.10590	4.8
209.11816	100.0
210.12160	6.3
217.12296	1.7
221.06650	2.2
221.11819	1.1
223.13290	1.0
225.11299	39.1
225.55769	0.8
226.11668	2.2
227.12877	11.9
232.47289	0.9
235.08224	3.3
235.13330	1.3
243.12367	1.1
247.13571	1.1
249.11221	2.2
253.09200	1.3
263.12808	2.4
265.14517	1.1
287.07611	1.1
305.08813	1.4
364.42383	0.9
379.12488	2.5
397.13461	25.3
398.13913	2.3
399.21683	2.7
415.14587	9.4
416.14694	0.9
417.22821	6.1
576.42902	0.8
605.24426	6.3
606.24548	0.9
623.25500	8.1
624.26141	0.8
635.43976	0.8
787.37213	1.2
797.35901	12.6
798.36285	2.8
815.37054	19.8
816.37244	5.4
833.38123	32.9
834.38385	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	831.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
68.99902	0.7
69.39716	2.6
69.40128	2.2
71.01389	1.6
78.95901	79.8
78.98576	1.0
79.04671	0.9
79.95736	2.9
80.96513	10.0
87.00840	0.9
94.98094	2.1
96.96963	17.7
122.97588	1.6
125.02399	0.7
134.97574	1.0
134.98463	0.8
141.01643	0.6
152.99591	21.5
223.00084	7.8
225.00677	1.6
241.01178	32.9
242.01479	0.7
255.23285	59.0
256.23581	5.5
259.02197	2.6
277.21707	35.9
278.22037	3.7
297.03729	1.1
315.04602	1.0
391.22415	7.9
413.20795	2.1
553.28003	6.8
554.28357	1.1
571.28748	1.3
575.26318	1.2
831.50177	100.0
832.50464	27.7
832.66516	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	832.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99317	0.2
61.98827	100.0
62.05466	0.1
62.98543	0.1
69.23925	0.9
71.01383	0.1
72.99316	0.7
76.78252	0.1
76.97046	0.1
78.95921	0.5
80.96538	0.3
82.89028	0.1
88.98814	0.8
90.99220	0.1
118.01794	0.1
125.02444	0.1
148.99150	0.2
169.01393	0.1
191.05644	0.2
197.11841	0.2
209.11781	0.1
219.91711	0.1
390.81668	0.1
447.72272	0.1
559.20331	0.1
586.63464	0.1
590.19794	0.1
832.50348	0.5
833.39117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.77936	0.1
61.98827	100.0
62.98546	0.2
66.53436	0.1
70.53312	0.4
71.01366	0.1
75.00890	0.1
77.97701	0.1
78.95898	0.3
80.96533	0.2
92.07191	0.1
96.96024	0.2
104.06369	0.1
116.92890	0.3
209.11827	0.4
271.63251	0.1
408.41553	0.1
606.18524	0.2
725.00696	0.1
833.37042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.2
59.01376	18.7
61.59713	0.6
69.03458	21.3
70.80592	0.8
70.80915	0.8
71.01384	10.8
72.22263	0.5
81.89213	0.7
85.02940	2.2
87.00868	3.4
89.02442	11.5
93.03462	1.2
95.01363	0.8
95.05025	15.0
96.95966	0.5
101.02445	6.1
113.02453	5.0
115.35428	0.5
117.92690	0.5
118.50002	0.5
119.03474	3.4
121.02972	3.3
121.06591	4.6
123.04509	1.1
129.07074	1.7
139.04016	11.8
145.06602	1.0
147.08150	4.5
150.35567	0.7
157.06596	0.6
165.01869	1.2
165.09207	1.2
167.03529	0.7
173.06018	0.7
175.07561	1.2
191.05562	2.4
191.07149	3.5
193.01404	1.5
211.02455	1.5
219.06599	1.1
263.05563	1.3
284.66077	0.6
327.73654	0.7
371.13388	0.7
389.10818	2.4
399.12909	0.9
443.11920	100.0
444.12244	12.4
552.76459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.1
59.01378	19.0
61.98826	10.7
69.03444	3.2
71.01382	15.8
71.05028	1.0
71.15804	0.8
72.99307	1.9
73.02937	2.4
78.95901	2.8
79.95742	0.5
80.02669	1.5
80.96533	0.9
81.03456	2.7
83.01377	2.1
83.05029	6.1
84.02167	1.2
85.02951	4.7
85.06576	0.5
87.00880	5.2
88.24358	0.4
89.02441	13.4
93.03491	0.7
95.01372	1.4
95.05028	1.4
96.96009	2.2
96.96962	0.9
97.02934	3.1
97.06603	0.5
99.00867	1.0
101.02435	13.2
109.06602	1.2
111.00848	0.5
111.04522	0.7
113.02438	6.2
119.03512	4.4
125.02441	5.5
125.06071	0.6
125.09688	0.6
131.03465	0.5
135.08144	1.0
137.49307	0.4
143.03490	2.6
145.54211	0.5
149.09747	1.0
151.83792	0.4
161.04578	2.8
161.13246	0.5
163.11284	3.9
165.12862	2.4
167.10762	2.7
171.10254	1.1
177.12892	0.8
179.05577	4.8
179.10783	0.6
179.14339	3.2
191.05568	1.2
191.10815	1.1
195.13882	6.9
196.14330	0.7
205.12311	6.2
207.10146	0.6
209.11815	100.0
210.12169	5.5
217.07140	0.8
221.06688	1.6
223.13383	71.3
224.13734	5.1
225.11224	0.7
227.12892	15.8
228.13216	0.8
235.08185	4.9
236.81978	0.5
241.01205	0.5
253.09311	0.7
255.23149	1.2
261.14917	0.7
277.21881	0.4
287.07806	1.0
305.08698	1.4
323.09839	0.9
379.12350	5.1
397.13483	36.4
398.13837	3.6
415.14560	9.6
415.24521	0.5
416.14609	0.7
603.26898	3.1
607.26605	0.9
621.27594	5.8
622.27655	1.2
795.37659	0.9
813.38916	0.6
831.35504	0.8
831.50110	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	831.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.9
59.01378	49.0
61.98827	28.7
69.03454	4.8
71.01382	47.6
72.99326	4.7
73.02938	6.7
74.25635	1.7
75.00857	3.7
78.95911	6.3
81.03458	4.7
83.01391	7.5
83.05029	7.5
85.02947	11.9
87.00877	10.1
89.02444	32.5
93.03462	2.3
95.01392	4.5
95.05026	6.8
97.02946	18.2
97.06589	7.1
99.00886	4.7
101.02435	25.3
107.04985	3.1
108.02212	3.8
109.06589	50.3
110.06925	1.9
111.29622	2.0
113.02446	12.0
114.05582	2.2
119.03495	5.9
119.04999	1.8
121.06614	2.8
122.03737	2.2
123.08157	4.4
125.02417	6.8
125.09717	23.7
126.90370	2.3
135.04507	4.4
135.08163	8.2
136.05258	4.2
137.09831	2.2
138.90575	1.9
141.01984	2.0
142.02724	3.9
143.03519	2.0
161.04494	3.8
161.09741	6.9
163.11290	28.2
164.11523	2.4
169.08524	1.8
171.10313	2.7
173.06128	1.9
175.11264	4.8
177.12816	2.0
179.05589	5.1
179.10620	2.5
181.12373	7.5
185.11829	3.5
187.09744	9.5
189.09094	2.7
191.05611	5.2
191.10756	4.6
193.12381	2.2
197.11797	2.7
201.12943	1.9
203.10771	2.7
205.08623	3.0
207.10249	98.2
208.10606	7.4
208.44298	2.1
209.11815	32.2
217.12289	2.5
219.10248	3.3
219.13863	2.3
221.06665	8.9
223.09674	2.8
223.13480	3.3
225.11308	59.9
226.11702	4.3
229.34404	3.2
231.10278	2.2
235.13307	3.4
237.11249	5.7
245.11917	3.2
247.09828	2.9
251.12962	2.0
255.23169	2.4
263.12863	6.9
265.10861	2.2
325.21072	2.5
327.19794	2.6
353.21231	3.7
363.21597	2.2
369.20639	5.0
371.18552	5.0
371.22565	2.7
387.21738	6.2
389.19617	8.6
397.13385	16.2
397.19983	5.8
405.22748	4.0
415.14676	5.7
415.21185	18.8
416.21555	2.8
433.22275	11.1
605.24902	3.8
606.42615	2.3
623.25775	7.6
651.30579	2.6
769.32465	11.4
770.33240	3.5
785.36176	5.9
787.34009	27.9
788.33899	8.2
795.34686	14.5
796.34509	4.3
813.35498	100.0
814.35754	29.6
831.36646	49.8
831.50446	5.0
832.36804	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	831.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.0
59.23483	1.5
61.14793	1.5
61.98828	1.9
65.00320	3.0
69.89243	9.1
71.01387	3.5
81.35577	1.5
83.01388	2.4
85.02946	3.9
93.03471	2.5
96.95978	2.0
107.01375	6.1
109.02966	4.1
110.42479	1.4
113.02430	2.0
121.00219	1.7
121.02897	8.7
125.02428	3.1
151.00368	33.0
161.02492	2.2
163.00385	5.6
169.01453	3.3
178.99855	17.9
187.03929	1.8
191.05615	16.3
229.05136	2.1
245.04576	3.7
255.02959	3.2
273.04074	3.0
275.01816	2.6
283.02402	1.8
300.99963	5.6
301.03485	100.0
302.03796	10.9
304.57770	1.6
341.02890	5.1
477.06665	60.5
478.07208	9.4
609.49414	2.2
674.92102	1.9
703.18207	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	831.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
63.02390	2.5
65.00323	4.3
69.26179	4.1
71.01373	3.8
72.99333	0.6
75.00842	0.7
78.95915	0.8
81.03419	0.5
83.01379	2.5
85.02959	2.9
87.00846	0.8
93.03460	4.0
95.01384	0.9
99.00890	0.5
103.00340	0.6
107.01390	8.4
109.02950	4.7
111.04523	0.5
113.02419	1.9
119.01333	0.6
121.02958	7.7
125.02420	0.8
135.00844	0.7
135.04530	3.4
137.02434	0.8
149.02408	1.1
151.00365	33.5
152.00661	1.6
152.99529	0.7
157.06693	0.5
159.04446	0.8
161.02452	1.0
163.00383	4.2
165.01929	0.5
169.01392	1.8
173.04471	0.9
173.06046	0.4
175.02460	1.0
175.03922	0.6
178.99852	14.8
179.03479	1.8
183.04453	0.9
185.06053	0.4
187.04018	1.2
190.99855	0.6
191.05598	9.6
201.05568	1.2
203.03473	0.6
211.03960	1.4
215.03488	0.5
227.03539	2.0
228.04297	0.7
229.01498	0.5
229.05023	1.7
239.03535	0.8
243.02979	0.6
245.04520	2.9
255.02965	4.8
256.03592	0.8
257.04688	0.6
271.02423	1.0
273.04080	2.4
275.01849	0.7
283.02408	1.4
300.02725	1.6
301.03510	100.0
302.03885	8.2
353.08679	4.0
354.09021	0.7
360.35306	0.5
434.07047	0.5
459.05658	1.1
475.76764	0.6
477.06720	56.8
478.07016	6.3
488.04782	0.6
657.10065	0.9
831.16254	2.3
832.16492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
60.99305	1.8
61.98548	0.3
61.98829	4.1
67.01874	0.3
69.37814	0.6
69.38223	2.0
71.01369	0.7
72.99299	0.8
75.00883	0.4
78.95905	8.3
81.03455	0.4
83.05002	1.3
88.98808	8.9
89.02435	0.8
89.99141	0.5
93.03442	0.8
95.05031	1.7
96.96950	1.3
101.02442	0.4
109.06567	0.9
111.08160	12.8
112.08507	0.8
113.09717	1.1
122.98518	0.9
123.08103	0.5
125.00089	1.0
125.02433	1.3
125.09692	0.4
125.15260	0.3
135.11829	0.6
137.09702	1.3
139.11263	0.6
141.09157	0.4
149.09721	1.0
151.01605	0.6
152.99594	4.5
167.10764	2.8
167.24954	0.3
168.04268	0.8
169.01379	1.3
169.12366	0.5
171.10265	3.6
173.75853	0.4
177.12822	2.5
179.10751	3.1
191.05583	0.5
195.13905	9.7
196.14224	0.6
197.11818	0.6
203.10825	0.4
221.11900	0.4
223.13347	0.8
224.06825	0.5
242.08014	1.2
247.20622	3.4
256.75604	0.3
273.18539	2.1
277.21692	1.4
279.23276	48.1
280.23663	3.9
291.19650	100.0
292.20001	9.1
309.20667	0.8
397.13403	0.9
433.23526	1.9
459.25220	0.8
460.26108	0.7
503.30154	0.5
504.30936	11.5
505.30984	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	829.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
69.79775	3.1
71.01062	0.5
71.01372	3.1
73.02937	0.6
85.02946	6.8
87.00886	1.8
89.01997	0.5
89.02427	2.8
91.05502	0.5
93.03458	3.0
98.20615	0.7
101.02460	1.5
103.24731	0.5
107.05033	1.9
109.02964	0.7
111.04521	0.9
113.02445	0.7
117.03474	1.1
119.03487	1.0
127.03999	1.8
133.02956	8.5
134.03729	5.3
135.04521	94.5
136.04855	4.6
151.06102	1.3
154.45610	0.5
156.89423	0.9
161.02434	30.4
162.02751	1.3
171.02992	0.6
173.04526	1.0
179.03491	78.4
180.03868	3.3
182.10643	0.6
191.05598	94.6
192.05942	3.8
264.73950	0.6
273.40353	0.6
313.11569	0.8
317.51819	0.6
353.08740	9.5
354.09213	1.4
414.36700	0.6
475.14548	100.0
476.14828	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.18556	0.2
67.01879	0.4
71.01381	0.9
71.53280	0.5
85.02947	6.5
87.00880	1.4
89.02437	0.7
93.03455	2.6
97.86897	0.3
98.20026	0.3
100.63686	0.3
101.02429	0.7
104.58320	0.3
109.02947	0.8
111.04527	1.0
113.02428	0.5
119.03485	0.4
122.02486	0.5
127.04001	1.8
133.02953	1.1
134.03676	0.5
135.04518	7.7
136.04967	0.3
141.24219	0.3
150.59636	0.3
157.04385	0.3
161.02417	2.6
171.02942	0.6
173.04495	1.5
179.03471	6.3
180.01239	1.0
180.03824	0.6
191.05605	100.0
192.05928	5.1
221.04486	0.3
232.04291	0.7
353.08749	20.3
354.09088	2.2
381.80542	0.3
474.10565	5.1
475.15009	1.4
498.58908	0.3
519.60626	0.3
658.61279	0.3
724.57550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
61.98827	1.1
69.24165	4.4
71.01381	0.9
77.08982	0.4
78.97887	0.5
85.02953	1.6
87.00877	0.6
93.03459	2.5
95.01431	0.4
96.96006	1.8
98.19859	1.0
99.83646	0.4
101.02432	0.7
109.02958	1.0
111.04544	0.7
113.02460	1.4
121.02954	0.8
122.03728	1.0
125.02485	0.5
132.02145	0.7
133.02959	22.2
134.03758	1.3
135.04526	11.0
136.01692	0.5
136.04877	0.7
137.02417	0.9
139.64806	0.4
146.03680	0.4
147.04457	0.6
149.02477	2.7
150.03217	7.1
151.03931	1.1
151.35909	0.5
161.02437	100.0
162.02785	4.9
164.04713	0.6
165.01894	1.1
165.05554	6.3
166.02689	0.5
169.01376	0.7
171.04483	0.5
173.04524	0.9
173.06003	0.5
175.04005	2.7
176.04718	0.9
177.05547	1.1
178.02747	0.5
179.03484	12.5
180.04118	1.7
181.05064	1.2
183.04478	0.9
184.12836	0.4
189.05521	0.6
191.05626	9.8
191.07138	0.3
192.05867	0.7
194.05861	1.6
195.06616	5.7
196.06905	0.5
199.04008	1.5
201.05598	0.7
203.03506	2.9
209.08195	2.6
211.03978	1.5
225.07710	1.0
227.03519	3.3
233.04701	0.6
235.78293	0.5
237.05469	0.6
243.02962	2.6
255.02968	1.4
255.06256	0.6
273.03961	1.0
299.01999	0.8
305.06659	0.4
323.07697	66.6
324.08014	5.1
343.11774	0.7
357.13254	1.1
373.12805	0.6
421.15280	0.6
439.31967	0.8
459.34647	2.6
460.35080	0.5
473.07080	0.9
491.08234	1.3
503.33768	49.4
504.34140	8.6
547.16223	0.4
576.01111	0.5
613.22760	0.6
635.13770	0.5
665.13678	1.4
827.42224	40.8
828.42639	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	827.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37824	0.4
59.01385	1.2
61.98824	1.2
68.78661	0.4
69.16283	4.3
71.01373	2.0
73.02962	0.5
85.02948	1.8
87.00867	0.6
93.03473	2.9
96.96016	2.1
101.02446	0.5
109.02959	0.6
111.04549	0.8
113.02470	0.9
121.02978	1.3
122.03747	1.3
125.02424	0.9
132.02180	0.9
133.02963	21.4
134.03685	0.6
135.04526	13.4
136.01797	0.5
136.04832	1.0
137.02454	1.6
149.02429	2.2
150.03220	7.7
150.33612	0.5
151.03896	0.9
159.04533	0.5
161.02438	100.0
162.02792	4.2
165.01927	1.6
165.05565	6.6
166.02682	0.8
166.05960	0.4
166.24596	0.6
169.01460	0.8
173.04588	1.1
175.03976	1.9
176.04802	0.6
177.05548	1.0
179.03493	11.6
179.07079	0.6
180.04088	1.1
181.05067	1.7
183.04575	0.6
191.05615	10.1
191.06903	0.4
194.05833	1.5
195.06630	6.3
199.03995	1.8
201.05482	0.7
203.03485	2.8
209.08154	1.7
211.03915	1.4
225.07690	0.9
227.03458	3.5
237.05606	1.0
243.02972	3.0
245.04385	0.9
255.03009	1.4
273.04010	1.2
275.02097	0.6
299.01901	0.8
300.99536	0.5
323.07693	58.9
324.08057	4.9
337.26465	0.5
357.13620	0.6
385.90961	0.5
387.14438	0.8
429.08224	0.6
439.32059	1.0
447.08813	0.5
457.32831	0.6
459.35010	1.4
473.07208	1.2
481.17145	0.7
491.08331	1.4
503.33755	45.3
504.34149	6.8
535.12500	0.6
613.22461	0.9
665.13269	1.3
744.57904	0.5
827.42188	35.7
828.42474	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	827.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98834	0.6
65.98046	0.2
69.57841	1.5
71.01392	1.0
71.05016	0.8
73.02936	0.3
85.02937	0.7
89.02407	0.3
89.04051	0.3
95.57998	0.3
98.19981	0.4
105.03407	0.4
109.02975	0.4
113.02446	0.7
117.03476	0.4
132.02188	0.8
133.02950	20.6
134.03827	1.4
134.38669	0.2
135.04523	12.6
136.04848	0.6
137.02477	0.9
139.03993	0.3
147.04469	0.4
149.06090	0.4
156.91959	0.3
161.02435	100.0
162.02783	4.7
169.01405	0.3
171.04457	0.3
175.03989	1.2
177.05518	0.3
178.02811	0.4
179.03493	10.8
180.03847	0.5
189.05560	0.6
191.05568	0.6
203.03493	2.3
221.04544	0.3
233.04492	0.5
323.07687	62.6
324.08047	4.2
352.67279	0.3
419.29596	0.3
421.31189	0.7
439.32034	0.7
441.33356	0.6
443.31567	1.0
459.34869	1.3
485.32721	12.2
486.33170	1.7
503.33755	26.9
504.34137	4.4
552.68903	0.3
827.42181	36.3
828.42529	9.7
840.43073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98829	0.4
63.33025	0.3
65.84103	0.3
68.54903	0.3
71.01349	1.8
71.05022	0.8
73.02952	0.5
81.45020	0.4
85.02937	0.6
97.18453	0.3
100.28452	0.3
109.02934	0.5
113.02451	0.6
119.89589	0.4
122.89677	0.3
132.02177	0.9
133.02956	21.5
134.03680	1.1
135.04524	11.3
136.04869	0.6
137.02440	1.1
147.04482	0.4
161.02434	100.0
162.02776	4.3
175.03944	1.6
177.05629	0.4
179.03491	11.6
180.03938	0.6
189.05568	0.5
191.05688	0.8
203.03470	3.1
233.04512	0.9
240.27928	0.3
323.07687	74.3
324.08008	5.7
355.26398	0.5
361.16354	0.4
391.29745	0.4
407.29694	0.5
419.30026	0.4
421.30951	1.3
423.28970	0.5
435.29156	0.7
443.31619	1.5
453.30048	4.2
454.30331	0.5
459.35196	0.4
485.32748	11.2
486.33112	1.7
503.33783	34.6
504.34091	5.3
827.42224	35.4
828.42523	10.8
828.58002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35244	0.4
59.01365	0.4
60.99305	19.7
60.99624	0.9
61.72689	0.4
61.98834	2.3
70.71696	1.1
71.64114	0.3
72.99291	0.4
75.00867	3.9
78.95908	0.6
85.02982	0.4
87.00864	0.8
88.00382	2.0
88.98802	100.0
89.02441	6.2
89.99129	0.6
97.82049	0.4
107.77003	0.4
112.21630	0.4
122.58379	0.4
125.02419	0.4
169.01375	0.5
189.01888	0.4
191.05611	1.3
197.07674	0.4
197.12044	0.4
207.10358	0.7
225.11397	0.5
229.56775	0.4
279.23358	1.2
291.19604	1.6
504.30884	0.5
545.73102	0.4
551.28802	0.5
635.22870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.2
63.98911	1.2
66.52905	1.0
67.01886	2.1
71.01381	1.9
75.00849	1.6
81.03448	1.5
85.02942	11.6
87.00875	4.0
93.03454	12.2
110.76907	1.0
111.04524	3.5
120.39260	0.8
125.02456	1.4
125.20889	0.9
127.04009	2.9
135.04521	1.9
143.04987	2.2
153.10599	1.0
155.05127	1.0
159.04475	2.5
161.02403	2.0
162.63931	0.9
165.01852	1.3
169.01393	1.4
171.04538	3.7
173.04550	5.2
173.05841	1.1
175.23624	1.0
179.03592	1.0
182.03648	1.4
183.04500	14.6
187.80421	0.9
189.87376	1.0
191.05602	100.0
192.05962	4.0
198.03189	4.0
199.03984	24.4
200.04422	1.9
201.05553	9.3
210.03224	1.5
211.03987	21.0
211.05869	1.7
212.04338	1.5
214.02710	1.2
223.13283	1.0
226.02731	4.6
227.03481	74.6
228.03882	6.8
229.01443	3.1
229.05125	3.5
242.02103	2.2
245.04584	4.9
253.01396	2.4
255.02985	33.8
256.03384	3.0
273.04047	19.5
274.04321	1.5
281.00839	2.2
299.02048	4.5
317.02905	1.6
447.09302	8.7
473.07260	1.6
491.08270	49.3
492.08838	5.8
665.13489	55.1
666.13818	8.0
827.16223	7.0
827.39136	1.2
828.17474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	20.1
65.24462	5.2
71.01395	12.5
78.95906	41.3
78.98577	14.6
79.95731	18.3
80.96519	100.0
85.02975	6.8
94.98093	16.6
110.34233	4.8
112.68455	7.6
115.92070	7.7
116.92836	10.8
164.98581	13.7
179.89232	6.7
196.89455	23.0
225.00694	28.8
255.23351	7.8
277.21823	7.6
298.75183	7.0
807.41730	13.8
825.46057	54.7
826.46436	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	827.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57341	0.6
59.01376	1.4
61.98839	0.6
67.01891	1.6
69.24044	6.5
71.01374	1.5
79.95753	0.9
85.02946	10.6
87.00883	4.0
93.03458	10.4
96.96010	17.0
98.19877	1.3
109.02955	1.0
111.04515	1.7
111.47090	0.6
127.04026	2.5
135.04518	0.9
137.02353	1.0
141.41444	0.6
143.04967	1.2
150.03185	1.0
155.03474	1.0
159.04543	3.4
161.02478	1.1
165.05515	1.2
169.01410	1.0
171.04498	5.7
173.04576	6.1
173.05942	1.4
178.64664	0.7
179.03558	1.1
181.02940	0.8
182.03697	1.3
183.03006	1.3
183.04500	13.9
191.05608	100.0
192.05975	2.7
195.06584	1.8
198.03175	3.4
199.03992	23.0
199.05797	1.4
200.04378	1.6
201.05554	8.6
210.03230	1.2
211.03987	19.4
212.04388	1.1
214.02763	1.8
225.07626	1.0
226.02687	4.0
227.03490	68.1
228.03877	4.4
229.01407	4.0
229.05057	1.9
242.02142	1.3
245.04538	5.1
255.02982	31.0
256.03311	2.7
273.04034	20.8
274.04297	1.8
281.01086	1.0
299.01913	2.7
317.02982	1.5
447.09348	8.1
448.09674	0.9
473.07254	0.8
491.08310	47.8
492.08554	5.1
665.13531	40.6
666.13971	7.7
827.16779	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	825.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53546	0.6
59.01379	0.8
61.98824	1.1
63.96235	2.1
66.21897	0.7
69.03465	1.2
71.01382	8.4
73.02943	1.4
76.51041	0.7
78.95902	1.1
78.98593	7.4
79.95735	16.7
80.96516	95.0
81.03448	1.2
85.02514	0.6
85.02944	3.4
87.00892	4.6
94.98087	22.5
94.98685	1.3
95.54895	0.7
96.96007	1.9
97.02953	1.8
98.19852	1.6
99.00891	1.0
100.10547	0.6
101.02443	2.1
102.75183	0.6
103.30080	0.6
106.98112	4.7
110.46997	0.6
113.02369	0.7
120.05140	0.6
122.97590	5.8
125.02444	4.1
127.04009	1.4
134.97600	6.8
136.99136	2.4
148.57758	0.6
148.99135	7.2
149.99380	0.7
152.98630	7.6
156.79102	0.6
164.98630	14.9
196.89549	0.9
206.99715	3.7
209.11804	1.2
225.00743	23.1
226.01109	0.8
283.04825	0.7
283.26468	1.3
343.13083	0.7
541.19507	2.3
565.30322	1.6
646.33038	0.8
825.46674	100.0
826.47015	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01341	0.8
61.98837	1.6
63.96230	2.4
64.15612	0.9
70.97639	0.7
71.01375	9.1
72.03613	0.7
73.02943	2.1
78.95917	0.9
78.98589	8.5
79.95732	17.6
80.96514	100.0
82.96096	1.5
85.02943	3.0
86.79732	0.7
87.00890	2.3
94.98077	22.7
96.96013	1.2
97.02953	2.8
99.00885	1.1
101.02413	4.4
106.98061	4.2
110.86653	0.9
122.97588	5.0
125.02470	3.5
127.03968	0.8
132.90546	0.7
134.97589	7.2
136.99133	2.8
148.99127	8.0
152.98618	8.7
164.98627	15.9
188.98563	1.0
196.89505	2.5
206.99692	4.0
209.11780	1.2
220.51543	0.8
225.00722	26.3
226.00974	1.0
258.70105	0.8
264.74896	0.8
283.26456	1.2
319.02023	0.8
541.19617	2.4
565.30347	1.2
709.38324	5.0
781.41669	1.0
825.46619	96.7
826.46844	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	825.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
61.98829	16.0
62.96635	1.0
65.50491	0.9
71.01388	3.2
71.05025	2.4
73.02951	3.3
78.95899	1.7
85.02957	3.1
87.00867	1.0
88.98823	1.4
89.02439	2.1
93.03476	2.7
95.01393	1.1
96.96023	3.2
99.92579	2.7
111.04508	1.1
113.02430	1.5
116.92855	30.2
117.01981	2.0
117.92874	2.3
123.04543	1.5
125.02438	1.5
133.02943	22.2
134.03694	1.2
135.04536	14.1
137.02429	2.1
150.03151	1.4
161.02438	100.0
162.02838	3.1
165.01875	1.3
165.05528	2.0
169.01456	1.3
173.04578	1.1
175.04071	1.5
179.03494	15.8
191.05611	17.2
192.05846	1.7
203.03395	3.1
209.11845	2.7
260.03210	1.1
323.07693	97.5
324.08093	7.0
358.88986	1.1
393.31699	3.1
401.28845	1.7
419.29755	1.3
421.31085	7.3
455.31915	2.2
457.33170	10.1
458.33499	2.2
471.30670	1.6
483.31186	3.2
489.32343	3.9
501.32227	56.6
502.32339	10.7
598.95404	1.3
618.40051	1.2
629.22363	1.4
825.40747	34.3
826.41034	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	824.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98835	8.3
71.01380	6.7
78.95906	14.3
80.02692	2.2
80.81658	1.2
81.03453	4.2
82.95436	6.9
83.01403	9.2
83.05023	5.9
84.00895	2.1
84.02171	2.0
84.95098	3.0
95.05018	4.6
97.02955	5.4
97.06591	5.8
107.05037	1.3
109.06582	4.8
111.08233	1.4
119.08621	1.5
121.06605	2.2
123.04546	8.4
123.08160	2.9
125.06064	2.6
125.09735	15.8
127.11196	1.7
135.08176	3.6
137.06050	1.8
137.09706	7.4
142.44939	1.4
149.06099	2.0
151.11293	1.4
152.99550	2.6
159.73543	1.3
161.09747	2.1
163.11285	15.3
164.11644	1.9
165.12822	3.9
166.60052	1.3
167.10767	2.3
168.04253	1.5
171.10272	4.1
177.12819	2.4
181.12332	3.5
185.11812	13.0
189.12653	1.4
191.05721	2.5
191.10805	3.1
191.14465	14.3
199.09793	2.4
207.10211	12.6
208.10521	1.5
209.11829	99.6
210.12224	10.8
211.13379	2.7
217.15877	2.6
223.13506	1.4
225.11292	11.5
227.12875	3.6
228.61626	1.3
242.08078	3.6
245.19095	32.3
246.19347	3.1
253.09259	3.5
263.20117	3.0
271.16968	2.4
277.21701	94.7
278.22031	10.3
289.18079	100.0
290.18463	8.0
307.19144	87.7
308.19531	9.8
502.29373	41.5
503.29636	6.0
516.39441	1.4
573.72980	1.5
607.41388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98819	1.1
67.01882	0.5
69.03462	0.7
69.32208	3.3
71.01369	0.7
83.05006	1.4
93.03458	0.5
95.05032	1.6
97.06609	0.4
109.06557	1.5
111.08159	15.9
112.08527	0.6
113.09724	1.0
121.06576	0.6
123.08200	0.7
137.09703	1.2
149.09702	1.1
162.70380	0.4
167.10789	3.1
177.12822	2.9
179.10750	3.4
179.14400	0.6
195.13889	9.8
196.14360	0.6
197.11719	0.4
199.57898	0.4
203.14400	0.4
207.05460	0.4
223.13319	1.2
244.82082	0.4
244.84639	0.4
247.20679	4.3
248.37155	0.4
273.18643	2.7
277.21686	1.1
286.94373	0.4
291.19653	100.0
292.19989	9.9
309.20551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.4
59.01376	8.2
61.17446	0.4
61.98832	3.6
63.99250	0.4
69.03430	1.4
69.53358	1.9
71.01010	0.5
71.01378	7.7
72.99272	0.8
73.02946	2.8
73.77883	0.3
78.95875	0.6
80.96506	0.9
83.01366	1.3
83.05009	0.7
84.02161	0.4
85.02948	8.5
87.00885	2.1
89.02439	4.7
91.03983	0.5
95.01356	0.8
97.02954	2.1
97.06597	1.8
98.20649	0.5
99.00874	0.7
101.02436	7.6
108.05841	0.4
109.06541	0.4
111.08129	0.4
113.02438	4.0
115.03953	0.4
119.03491	1.7
123.08175	0.7
125.02451	0.6
125.09703	1.0
127.07648	0.4
127.11264	1.5
133.05031	1.0
137.09705	2.7
143.03470	1.0
145.05092	1.8
145.90392	0.3
155.10751	1.0
156.71863	0.3
157.05064	0.7
161.04550	3.4
163.11209	0.3
165.12822	0.5
167.01752	0.3
171.10262	20.0
172.10596	1.1
177.12859	0.5
179.05533	0.9
183.13913	2.3
185.11810	0.5
193.12270	0.5
195.13968	0.5
197.11798	1.3
201.11264	1.0
209.11807	0.9
210.12303	0.3
211.13374	10.5
211.30927	0.3
221.11787	1.4
227.12907	0.4
229.14426	6.5
233.22701	0.4
235.08206	18.4
236.08521	0.7
239.12892	0.5
247.20728	0.7
253.09271	24.9
254.09612	1.3
275.20203	0.4
277.21701	100.0
278.22061	10.2
291.19656	4.2
292.19974	0.8
293.21231	2.1
295.22772	1.5
308.35333	0.3
309.20697	12.8
310.21106	1.3
311.22324	1.6
312.61166	0.3
327.21744	69.4
328.22150	5.3
513.30591	0.8
545.30005	1.8
563.30737	2.2
569.78455	0.4
587.43225	1.0
823.44159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	9.8
60.51077	7.1
61.15832	6.5
61.98829	88.2
71.01369	19.8
71.13944	7.9
78.75208	6.7
78.90496	6.8
78.95924	41.6
80.96535	7.8
84.80333	6.8
87.00881	9.7
88.36204	7.5
89.64951	6.8
109.06600	17.8
116.92859	15.0
137.69060	6.7
163.11209	11.4
169.01314	10.4
171.10268	15.3
191.05655	11.4
197.11748	18.4
199.09760	8.3
207.10214	26.0
209.11810	100.0
211.13368	9.3
219.55978	7.7
220.88277	7.0
225.11307	14.4
227.12843	19.1
229.35887	8.0
235.08113	10.3
253.09222	17.2
287.16568	8.4
291.19638	15.4
307.19037	9.0
309.20618	35.1
473.40900	7.3
595.13300	8.0
621.44165	8.4
823.41864	30.8
824.41772	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	823.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	10.6
59.60561	4.4
61.98830	44.4
62.73674	3.9
71.01381	16.6
73.53513	4.1
78.95905	25.5
79.95708	6.1
80.96520	9.4
82.95441	6.5
84.95120	6.3
96.96004	11.1
101.02428	6.4
111.45772	3.9
125.02444	18.6
125.09667	5.7
133.55725	4.2
163.11328	5.4
169.01434	16.0
170.01630	6.0
171.10281	13.7
181.12274	9.4
183.14046	4.7
191.05588	13.6
199.13364	5.0
207.10257	26.8
209.11804	100.0
210.12216	5.8
225.11345	24.2
226.11632	5.3
227.12843	20.7
233.64476	4.5
238.24484	5.2
243.12334	8.4
253.09190	21.5
291.19675	68.2
292.20007	9.3
293.21216	37.8
294.21347	5.7
461.20126	12.5
479.21732	6.8
737.40356	5.2
755.42200	15.0
756.30853	5.7
788.44458	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	821.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01100	1.0
59.01375	9.4
61.98835	5.0
69.03426	0.7
69.75899	3.8
71.01380	8.0
71.73783	0.7
72.99304	0.8
73.02947	1.4
78.95882	2.7
79.95728	0.9
80.96523	4.6
82.62092	0.6
83.05038	1.1
85.02941	2.1
87.00867	1.8
89.02440	4.0
94.98103	1.3
95.05061	1.4
96.95999	3.5
96.96945	1.9
97.02940	0.8
98.19958	0.7
98.95588	1.4
99.00895	1.5
99.92593	4.3
101.02434	4.9
109.06638	0.8
111.08161	8.2
113.02434	3.0
113.09783	1.1
115.92079	12.1
116.92855	7.4
119.03486	1.5
125.02457	0.8
125.09765	0.9
135.11771	0.8
137.09682	1.1
152.98544	0.7
161.04514	2.3
167.10750	2.1
171.10173	1.2
177.12860	2.5
179.10719	1.8
179.14421	0.8
185.11804	1.6
195.13887	16.0
196.14323	1.1
197.11827	1.4
205.12366	0.8
209.11794	2.6
211.13280	0.7
223.13406	7.5
224.14026	0.8
225.00777	1.2
235.08174	3.1
239.12970	0.8
247.20686	2.2
253.09290	17.3
255.23329	1.5
256.13123	2.5
261.88867	0.7
273.18619	1.7
275.20148	9.6
276.20349	1.2
277.21725	4.2
278.22031	0.9
281.24771	2.5
289.18008	1.1
291.19647	100.0
292.20001	11.1
293.21219	96.2
294.21527	10.2
307.19183	1.3
309.20688	2.3
325.20206	1.7
376.31409	0.7
415.13791	0.7
527.28625	1.3
803.33173	0.9
821.43768	3.6
822.44427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	14.9
63.96246	1.1
65.55162	1.1
69.13568	1.1
69.86127	4.8
71.01378	3.1
78.95903	100.0
78.98593	1.5
79.95742	3.0
80.96516	22.9
83.05040	1.4
88.98794	1.4
92.99537	1.1
94.98093	4.5
96.96961	4.8
97.02930	1.8
98.20573	1.8
99.92591	14.3
101.02379	1.3
115.92075	32.0
116.92131	1.7
116.92860	41.8
117.92850	2.0
120.96963	2.0
132.47217	1.1
148.99094	1.9
152.98431	2.2
152.99594	27.7
155.95172	2.3
163.89737	1.5
164.98575	3.5
171.00690	1.5
172.95467	4.4
178.88431	10.7
179.89223	28.6
180.89995	14.1
181.90767	2.3
193.90799	1.5
194.88010	1.2
196.89468	38.8
197.89401	2.5
209.11847	10.8
219.92294	1.4
225.00708	4.8
235.91873	5.0
236.92583	6.7
252.92213	2.6
373.01108	1.7
386.99222	1.6
389.00854	2.0
428.03299	1.8
473.06787	2.5
732.29004	2.9
755.28979	4.3
791.30890	2.0
805.32440	3.2
823.33264	54.8
823.45740	13.7
824.33221	16.9
824.46124	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	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
58.00585	0.9
59.01377	6.1
60.14477	0.4
61.98827	31.6
69.03457	0.8
70.84692	0.6
70.85037	0.8
71.01375	5.2
73.02927	0.7
78.95898	1.3
79.95740	0.6
80.96506	1.6
82.96083	0.5
83.01381	0.6
83.05040	0.4
85.02940	1.6
87.00869	0.9
89.02437	3.2
96.96017	2.0
96.96930	0.7
101.02432	4.4
109.06579	0.5
111.08165	6.8
113.02457	2.1
119.03479	1.0
127.07648	0.7
142.56313	0.4
151.11282	0.7
153.12943	0.7
161.04527	2.2
167.10713	0.8
169.12283	2.9
179.05658	0.7
179.10820	0.6
179.14429	1.1
181.12282	1.1
183.13953	0.6
193.12402	0.5
195.13893	8.3
196.14275	0.9
196.60461	0.4
197.11815	31.2
198.12154	2.0
199.13393	2.4
199.49759	0.4
205.12311	0.7
205.15950	0.5
211.13367	5.9
217.38647	0.4
223.13364	5.7
224.13910	0.6
225.00801	0.5
227.12918	0.6
228.13664	0.6
235.08249	2.3
253.09259	29.1
254.09627	1.6
256.13104	0.9
263.20190	2.3
265.18079	0.6
273.18594	0.8
275.20129	5.0
277.21753	0.8
279.23248	1.4
280.23651	1.1
289.17764	0.5
291.19656	11.7
292.19983	1.9
293.21201	100.0
294.21536	8.8
294.24689	0.7
309.20679	48.6
310.21039	5.2
439.87210	0.5
492.21826	0.7
529.30273	0.8
545.29633	1.1
585.41656	2.4
586.42078	1.0
729.45483	0.6
790.73145	0.5
821.40973	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
58.89926	0.7
59.01383	6.0
61.98827	53.7
63.36445	0.7
69.03458	1.1
71.01372	5.6
73.02934	1.8
78.95902	2.5
79.95735	2.3
80.91686	1.4
80.96516	5.8
85.02937	1.6
85.06623	0.8
87.00880	0.9
89.02436	3.9
94.98067	1.0
96.96021	3.1
96.96906	0.6
101.02444	4.7
111.08162	6.4
113.02452	2.5
119.03458	1.6
127.07663	1.0
128.40324	0.6
134.13753	0.6
153.12851	0.7
161.04430	1.5
161.45552	0.7
164.98651	1.0
165.12762	0.7
165.31421	0.9
169.12320	2.8
171.10149	1.5
179.05563	1.0
179.14412	1.0
181.12321	1.1
183.13828	0.9
191.05556	0.8
195.13863	9.0
196.14478	1.3
197.11829	27.5
198.12083	1.8
199.13318	1.1
211.13402	6.6
223.13371	6.9
225.00545	0.9
235.08289	3.3
253.09265	29.0
254.09608	1.6
256.13086	1.5
263.20026	1.5
273.18796	0.7
275.20135	4.6
277.21619	1.0
291.19675	17.6
292.20026	1.4
293.21210	100.0
294.21500	9.7
309.20688	60.6
310.20959	6.2
402.32523	0.7
529.29541	0.9
545.29584	1.5
585.41693	2.0
731.35962	0.8
821.41272	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	819.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.0
59.01376	4.4
61.98829	14.2
63.96237	1.7
69.03458	1.3
71.01378	12.2
71.09702	1.8
72.99299	0.9
73.02943	3.3
76.37272	0.8
78.95900	4.7
78.98579	7.7
79.95729	20.2
80.96514	97.2
81.03432	1.4
83.05032	1.1
85.02955	4.9
87.00871	4.4
89.02435	1.9
94.98085	49.7
96.95979	2.6
96.96991	1.0
97.02922	2.6
101.02445	4.5
106.98102	5.4
111.08158	3.1
113.02430	1.6
122.97567	4.5
125.02400	3.5
127.03995	1.6
127.70615	0.8
134.97583	7.0
136.99094	1.9
137.09711	1.0
148.99121	7.8
152.98610	7.4
152.99681	1.5
161.04520	1.4
163.11295	1.5
164.97321	1.3
164.98624	17.0
185.11862	1.9
191.14427	1.6
195.13887	2.8
197.11826	6.1
206.99629	3.8
209.11844	7.7
211.13420	1.7
223.13338	1.5
225.00740	22.5
226.01138	1.1
235.08299	1.4
237.11317	1.1
241.14436	2.3
245.19092	2.8
253.09329	9.7
263.20184	1.3
275.20111	1.2
277.21594	2.8
279.23300	4.8
289.18100	15.4
291.19641	23.1
292.20041	2.0
293.21216	25.1
294.21567	1.7
307.19177	16.8
309.20667	10.7
437.89651	0.8
527.28522	1.6
541.19751	1.6
559.25641	1.8
632.41492	0.8
728.44714	2.2
746.46466	1.4
819.41992	100.0
820.42224	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.00597	0.4
59.01374	7.0
61.98827	51.9
62.99251	0.4
63.99263	0.5
65.24035	0.3
69.03452	0.9
71.01375	6.7
73.02939	1.5
78.15456	0.5
78.91878	0.4
78.95898	1.3
79.95737	0.6
80.91675	1.6
80.96503	2.8
82.96097	0.6
83.01398	0.4
83.05037	0.6
85.02947	1.6
87.00880	1.4
89.02446	4.7
91.04031	0.3
94.98106	0.4
95.01400	0.6
96.95998	1.5
96.96969	0.5
96.97639	0.3
97.02942	1.0
97.06626	0.8
101.02441	6.2
106.57630	0.4
111.08152	10.9
112.08524	0.6
113.02428	2.7
113.09750	0.5
119.03505	1.5
121.06575	0.4
122.27851	0.4
127.07664	1.0
151.11290	0.6
153.12840	1.4
161.04553	2.4
163.11250	0.5
165.12801	0.7
167.10779	0.4
169.12326	4.8
169.14534	0.4
170.12639	0.4
171.10269	1.4
179.05626	1.1
179.10814	0.6
179.14400	0.7
181.12326	1.1
181.33708	0.3
183.13858	0.7
193.12311	0.7
195.13869	7.7
196.14389	0.6
197.11815	53.6
198.12169	3.3
199.13364	3.2
205.12294	0.7
209.11739	0.6
211.13374	8.1
212.13753	0.5
223.13390	5.7
224.13834	0.6
225.15079	0.6
227.12877	1.6
228.13435	1.0
231.21364	0.5
235.08250	2.3
235.16982	0.4
243.28136	0.4
247.16940	0.5
247.20834	0.7
253.09261	31.8
254.09598	1.6
256.13077	1.4
263.20163	2.2
265.18115	1.2
265.21530	0.4
273.18457	1.2
275.20111	6.9
276.20465	0.8
277.21677	0.6
279.23331	1.2
280.23584	1.0
291.19641	21.7
292.20004	3.0
293.21204	100.0
294.21527	9.5
309.20682	69.6
310.21036	7.6
344.70865	0.3
366.54745	0.3
433.20752	1.0
527.28607	0.7
529.30078	0.7
545.29730	2.2
585.41626	2.3
586.41675	0.6
731.36127	0.5
790.57654	0.5
821.41962	3.5
822.42474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
58.00591	0.9
59.01377	19.2
61.98820	1.9
69.03445	0.9
69.72086	0.4
69.76016	2.6
71.01378	16.1
72.99306	1.5
73.02953	2.8
78.95891	0.7
80.02672	1.5
80.96519	0.6
81.03453	2.3
82.45576	0.5
83.01382	1.4
83.05022	5.3
84.02157	1.1
85.02953	3.4
87.00880	4.6
89.02440	14.1
93.03461	0.8
95.01373	1.5
95.05009	0.6
96.96002	1.6
96.96978	0.5
97.02941	2.6
97.93134	0.5
99.00867	0.5
101.02445	11.5
109.02927	0.5
111.04543	0.9
113.02445	7.4
114.93377	1.7
115.00345	0.5
119.03511	3.6
125.02438	5.8
125.06030	0.9
125.17571	0.4
130.53717	0.4
131.03519	0.7
135.08162	0.8
137.08765	0.5
141.01999	0.5
143.03479	2.3
161.04532	2.9
163.11249	4.2
165.12852	3.1
167.14313	0.9
171.10237	0.8
179.05579	3.6
181.12302	1.0
183.13908	6.7
191.05670	2.1
191.10733	1.0
193.12323	1.7
205.71448	0.5
207.10265	0.5
209.11812	100.0
210.12148	6.5
211.13377	91.4
212.13736	6.5
217.07184	0.6
221.06627	1.6
227.12886	13.9
228.13194	0.9
235.08188	4.2
239.06139	0.5
239.80978	0.5
249.14999	1.1
253.09297	1.3
259.08151	0.6
287.07770	1.6
290.11703	0.5
299.32434	0.4
303.10587	0.5
305.08759	1.6
323.09650	0.7
348.19476	0.5
379.12442	6.0
380.12927	0.5
397.13470	39.5
398.13672	3.6
415.14575	9.4
416.14807	0.8
589.24280	0.9
591.26105	1.2
607.26312	1.6
609.27509	3.4
610.27582	0.7
742.39685	0.5
783.38110	0.9
801.38873	0.8
819.46887	0.6
826.57727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98827	100.0
62.98541	1.1
63.96241	0.5
63.99257	4.0
70.11684	1.9
71.01384	3.9
71.05029	0.6
73.02953	0.6
78.95909	1.4
78.98604	2.0
79.95731	10.8
80.96514	23.4
85.02948	1.0
87.00886	0.8
94.98083	5.1
96.96033	0.6
97.02957	0.5
98.20580	0.5
99.00887	0.7
99.04520	0.8
101.02430	1.1
106.98130	1.1
122.97627	1.5
125.02469	1.1
126.15617	0.4
134.97627	1.6
136.99248	0.6
141.01729	1.4
142.03949	0.5
142.05077	1.0
143.03568	1.0
143.99164	1.2
148.99133	2.1
152.98666	1.8
164.98624	4.0
171.10248	0.5
188.18652	0.4
191.05637	1.0
197.11861	0.5
199.72171	0.4
206.99721	1.5
207.10263	0.9
209.11951	1.4
210.12125	0.5
211.13196	0.4
223.13513	0.8
225.00710	7.6
225.11313	0.5
295.22748	0.8
341.05688	0.6
397.13556	0.8
425.14938	0.5
469.06693	0.5
505.17819	0.6
509.16934	0.6
546.42688	0.5
667.80103	0.5
733.31091	15.4
734.30994	2.8
801.37183	2.9
802.37756	0.7
819.38239	9.4
819.51843	1.2
820.37775	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	819.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
60.99303	0.8
63.02396	1.3
65.00326	2.5
67.01899	1.3
69.03454	1.3
71.01365	2.6
71.54227	1.1
73.02938	1.1
79.95744	2.4
83.01383	1.3
85.02942	5.9
87.00864	3.3
93.03459	10.1
96.96007	7.6
100.21311	0.8
102.68127	0.8
107.01377	4.2
108.02168	3.0
109.02923	2.9
111.04517	1.7
113.02375	0.8
121.02937	3.0
125.02431	1.4
127.04006	1.6
133.02921	1.5
135.00842	0.9
135.04494	3.4
137.02437	2.1
148.01662	1.3
151.00351	15.4
161.02451	1.3
163.00279	2.4
169.01341	2.8
173.04529	4.7
177.01985	1.1
178.99863	8.0
179.03516	1.6
190.02617	1.1
191.05606	52.4
192.05934	1.6
203.03545	1.0
210.99149	3.3
211.03844	1.1
215.03438	0.9
226.02603	1.0
227.03429	3.0
229.01355	2.0
229.05113	1.1
241.65088	1.0
243.02986	9.5
244.03523	1.0
245.04489	1.1
254.02087	2.1
255.02969	26.9
255.06792	1.1
256.03418	2.1
265.04987	1.4
271.02460	52.2
272.02939	4.3
273.03949	1.7
273.07541	1.1
283.02350	1.5
293.04889	0.8
294.05136	1.1
299.01874	1.2
300.02728	100.0
301.03455	49.3
302.03882	2.5
311.05524	1.3
337.03412	2.1
353.08676	1.2
435.10690	1.4
449.14230	2.3
463.08795	29.4
464.08987	3.1
609.16028	3.8
643.20355	2.3
722.17010	1.7
801.22644	3.5
802.21954	1.1
819.20050	44.8
819.34821	4.3
820.20465	11.8
820.34772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
60.99303	0.8
63.02396	1.3
65.00326	2.5
67.01899	1.3
69.03454	1.3
71.01365	2.6
71.54227	1.1
73.02938	1.1
79.95744	2.4
83.01383	1.3
85.02942	5.9
87.00864	3.3
93.03459	10.1
96.96007	7.6
100.21311	0.8
102.68127	0.8
107.01377	4.2
108.02168	3.0
109.02923	2.9
111.04517	1.7
113.02375	0.8
121.02937	3.0
125.02431	1.4
127.04006	1.6
133.02921	1.5
135.00842	0.9
135.04494	3.4
137.02437	2.1
148.01662	1.3
151.00351	15.4
161.02451	1.3
163.00279	2.4
169.01341	2.8
173.04529	4.7
177.01985	1.1
178.99863	8.0
179.03516	1.6
190.02617	1.1
191.05606	52.4
192.05934	1.6
203.03545	1.0
210.99149	3.3
211.03844	1.1
215.03438	0.9
226.02603	1.0
227.03429	3.0
229.01355	2.0
229.05113	1.1
241.65088	1.0
243.02986	9.5
244.03523	1.0
245.04489	1.1
254.02087	2.1
255.02969	26.9
255.06792	1.1
256.03418	2.1
265.04987	1.4
271.02460	52.2
272.02939	4.3
273.03949	1.7
273.07541	1.1
283.02350	1.5
293.04889	0.8
294.05136	1.1
299.01874	1.2
300.02728	100.0
301.03455	49.3
302.03882	2.5
311.05524	1.3
337.03412	2.1
353.08676	1.2
435.10690	1.4
449.14230	2.3
463.08795	29.4
464.08987	3.1
609.16028	3.8
643.20355	2.3
722.17010	1.7
801.22644	3.5
802.21954	1.1
819.20050	44.8
819.34821	4.3
820.20465	11.8
820.34772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75224	0.1
61.98828	100.0
62.98543	0.2
68.97220	0.1
78.81772	0.1
80.96551	0.2
95.00368	0.1
98.19861	0.3
104.79626	0.1
110.66145	0.1
114.71562	0.1
125.58846	0.1
130.46394	0.1
209.11824	0.1
232.38303	0.1
424.91177	0.2
686.97076	0.1
818.49976	0.1
819.38123	0.2
832.14478	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	818.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98536	0.2
78.95909	0.2
80.96510	0.4
94.98073	0.1
175.60860	0.1
223.95648	0.1
229.22963	0.1
308.92334	0.1
442.16895	0.1
560.30542	0.1
576.15704	0.1
608.54767	0.1
762.46265	0.1
818.36932	0.2
818.51068	0.2
819.38837	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	818.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.1
61.98829	100.0
62.98539	0.2
63.99264	0.1
69.40230	0.4
69.40636	0.2
77.26080	0.1
78.95918	0.1
79.95716	0.1
80.91692	0.2
80.96490	0.2
86.75222	0.1
96.27385	0.1
98.20623	0.2
98.29250	0.1
118.17159	0.1
163.57935	0.1
191.05557	0.1
209.11795	0.1
211.13451	0.1
225.00768	0.1
289.17883	0.1
293.21274	0.1
389.86523	0.1
558.90643	0.1
700.69476	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	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28283	0.1
61.98829	100.0
62.98530	0.3
71.01240	0.3
79.92836	0.1
80.96513	0.7
162.01556	0.1
164.98680	0.1
227.83502	0.1
381.18658	0.1
462.12936	0.1
647.28516	0.1
819.41852	0.8
821.65936	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	818.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.26929	7.8
70.19016	0.9
71.01382	1.1
78.95904	3.1
79.95724	1.6
80.96519	5.6
83.23067	0.9
86.27435	0.7
126.19116	0.8
129.10347	6.2
130.08728	1.3
139.08725	1.5
139.98492	0.7
140.07169	1.2
155.08215	1.9
164.09503	1.1
164.98647	1.3
165.10258	2.3
169.01306	1.1
191.05635	3.8
192.05696	0.8
200.14046	1.1
207.15034	4.3
208.13264	1.0
209.12003	1.3
211.13449	0.9
224.17673	2.6
225.00681	1.8
241.13464	0.9
242.11810	1.0
242.18707	4.0
277.11612	0.9
295.21436	2.4
330.18124	0.9
337.26053	2.4
353.71625	0.9
471.34677	0.9
782.51819	35.5
783.51971	8.9
818.51019	5.3
819.39673	1.3
819.53217	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	816.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
58.06817	0.2
59.01379	0.6
61.98829	100.0
62.98521	0.3
68.99577	0.2
71.01392	0.7
71.07072	0.3
79.95746	0.2
80.96497	1.0
85.02953	0.2
89.02462	0.5
94.98091	0.2
95.01416	0.3
96.96009	0.3
109.06627	0.2
113.02483	0.2
116.93002	0.2
125.02454	0.3
152.98598	0.2
163.11279	0.2
169.01427	0.2
171.10358	0.2
191.05664	0.4
197.11717	0.3
207.10223	0.8
209.11888	0.7
211.13406	0.6
225.00893	0.2
225.11372	0.4
273.13870	0.2
286.23816	0.4
301.65466	0.2
316.54858	0.2
397.13669	0.3
401.23587	0.2
415.14600	0.2
432.12918	0.2
722.37317	0.2
791.85571	0.2
799.38531	0.3
816.50458	0.6
817.38580	0.5
817.52533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
61.72236	0.1
61.98830	100.0
62.98530	0.2
71.01379	0.3
72.99335	0.1
73.02950	0.1
78.95906	2.4
78.98610	0.1
79.95744	0.4
80.96519	1.6
94.98096	0.3
96.96957	0.6
99.92587	0.2
101.02451	0.1
109.06586	0.1
116.92881	0.7
129.80109	0.1
139.58727	0.1
152.99617	0.5
163.11264	0.1
164.98601	0.2
171.10260	1.3
172.10631	0.3
172.14964	0.1
172.69078	0.1
199.09734	0.1
201.11377	0.1
207.10280	0.1
207.53339	0.1
225.00798	0.3
225.11371	0.2
226.11710	0.1
229.57690	0.1
241.01184	1.2
242.01498	0.2
255.23264	0.7
255.25471	0.1
256.23633	0.5
277.21872	0.2
278.22064	0.1
289.18204	0.2
291.19681	0.4
726.39227	1.0
727.39832	0.1
780.40363	0.3
798.41089	1.1
799.42438	0.2
816.51947	0.8
817.52954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29170	0.7
59.01380	1.2
65.00311	1.1
69.47478	3.6
74.15735	0.7
85.02946	8.3
87.00881	1.5
93.03452	2.9
107.01367	2.2
109.02946	1.7
111.04549	1.1
117.85474	0.7
121.02935	1.4
125.02472	0.7
127.04036	1.9
133.02972	1.6
135.04497	3.7
148.01703	0.9
151.00381	9.1
161.02428	2.6
163.00378	2.1
169.01363	1.5
173.04572	2.8
178.99832	4.6
179.03491	1.9
191.05602	100.0
192.05989	3.8
199.04045	0.8
211.03859	1.1
227.03476	1.5
229.04839	0.8
243.02974	4.6
244.03545	0.8
254.02133	1.3
255.02983	14.7
256.03259	0.8
271.02457	35.4
272.02963	4.2
283.02496	0.9
289.47025	0.8
300.02722	69.4
301.00064	1.3
301.03430	35.5
302.03830	2.5
328.93384	0.7
353.08774	15.1
354.09152	1.7
463.08804	98.7
464.09131	14.1
552.17468	0.7
764.23169	0.9
817.17859	3.7
818.17725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.14576	0.1
61.98829	100.0
62.98522	0.2
71.00678	0.1
71.01384	0.7
73.02965	0.1
78.95930	0.2
78.98598	0.2
79.95760	0.4
80.96513	2.4
85.02960	0.2
87.00891	0.2
89.02438	0.2
94.98091	0.4
96.96036	0.2
98.19849	0.2
101.02473	0.3
112.98593	0.1
125.02444	0.2
128.43016	0.1
152.98634	0.2
164.98647	0.3
171.23027	0.1
179.07014	0.1
191.05627	0.4
193.92151	0.1
207.10313	0.2
209.11891	0.4
211.13432	0.5
225.00713	0.7
239.90714	0.1
241.14314	0.1
394.60895	0.1
486.38797	0.1
800.38599	0.2
818.37897	0.2
819.38519	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18325	0.5
59.01365	1.3
63.96236	2.3
69.03462	0.9
69.82587	2.6
71.01379	10.5
73.02946	2.4
78.98592	7.7
79.95734	18.9
79.96205	1.0
80.96513	100.0
81.03445	0.8
83.01363	0.9
85.02966	4.2
87.00866	3.4
94.98084	22.4
96.96014	1.4
97.02941	2.3
99.00870	0.7
101.02423	3.7
102.02759	0.5
106.98070	4.1
122.97574	5.4
125.02451	4.4
127.04014	1.0
134.97578	6.5
136.99165	1.3
146.97665	0.7
148.99106	7.8
152.98630	7.4
164.98619	14.9
206.99666	3.3
225.00728	18.2
226.00844	0.7
255.23315	1.5
277.21555	0.8
297.72989	0.5
537.27313	1.7
559.25928	1.6
815.49792	94.1
816.50031	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	4.2
63.96231	2.4
71.01381	10.3
71.51270	1.5
73.02927	2.0
77.53754	1.1
78.95915	1.3
78.98590	9.2
79.95729	19.1
80.96511	100.0
81.03483	1.2
85.02940	3.6
87.00876	4.0
94.98088	20.4
96.95980	1.8
97.02950	1.6
100.86974	1.1
101.02416	3.1
106.98069	5.1
122.97572	10.0
125.02444	3.7
127.03991	1.3
134.97581	6.8
136.99126	2.4
148.99138	8.5
152.98662	6.4
164.98615	11.6
167.97348	1.1
169.89749	1.2
196.89465	2.7
206.99631	3.4
225.00739	17.1
235.60883	1.1
255.23381	2.1
278.61957	1.1
323.36884	1.4
492.27258	1.2
559.25818	1.5
563.65948	1.3
815.49835	81.9
816.50269	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98521	0.2
63.99260	0.2
70.28643	0.5
77.62972	0.1
77.69267	0.1
78.95911	0.2
80.96536	0.5
87.93031	0.1
163.55783	0.1
199.49638	0.1
212.53732	0.1
251.95015	0.1
295.22592	0.1
341.23685	0.2
361.95190	0.1
511.68774	0.1
721.77399	0.1
816.50928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98523	0.2
79.95710	0.1
80.96525	0.7
98.20613	0.4
151.40340	0.1
180.28073	0.1
190.03001	0.1
229.19269	0.1
250.36617	0.1
253.57509	0.1
347.99710	0.1
477.90674	0.1
816.50250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.70204	0.1
61.98829	100.0
62.98518	0.1
66.72738	0.1
79.94100	0.1
79.95747	0.2
80.96519	0.2
94.98035	0.1
98.19947	0.2
141.01729	0.3
248.37778	0.1
252.34972	0.1
542.19318	0.1
584.43250	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	815.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.3
60.12403	1.1
60.34696	1.2
61.98823	13.6
69.62494	5.5
69.62901	2.2
71.01386	6.7
75.00871	1.6
78.95432	1.9
78.95896	28.4
79.95733	2.6
80.96513	7.2
81.03413	1.6
83.04157	1.4
83.05013	3.8
85.02971	1.3
89.02441	2.9
96.96955	7.4
101.02453	2.4
109.06564	1.4
125.09739	1.4
143.03513	1.2
151.12975	1.3
152.99556	4.5
161.04478	2.8
163.11255	4.2
171.10223	11.8
176.04823	1.3
203.03677	1.2
207.10214	3.4
209.11806	100.0
210.12073	6.9
223.00089	1.7
225.00723	2.0
225.11322	3.1
227.12834	8.8
235.08209	4.3
241.01196	12.3
245.74574	1.2
253.09270	9.3
255.23318	14.1
256.23471	1.4
275.56424	1.4
277.21698	83.7
278.22018	8.2
301.14380	2.1
320.21140	1.5
444.05234	1.3
445.20755	1.4
725.38617	7.4
779.39771	6.7
793.45892	1.3
797.40924	22.0
798.40826	5.4
815.42828	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	814.423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94962	0.1
61.98828	100.0
62.98523	0.2
71.01366	0.1
74.07381	0.1
75.00874	1.4
76.01180	0.1
78.95918	0.2
79.95747	0.3
80.54617	0.1
80.96517	1.2
85.02953	0.1
94.98089	0.2
112.37749	0.1
125.02477	0.1
134.97533	0.1
169.01520	0.2
171.10281	0.1
173.48528	0.1
184.34691	0.1
197.11783	0.1
201.38300	0.1
209.11864	0.2
223.13423	0.2
225.00743	0.2
229.20143	0.1
279.73465	0.1
287.92844	0.1
291.19736	0.1
293.21286	0.2
443.65491	0.1
589.54590	0.1
612.85474	0.1
814.49561	0.1
815.38458	0.1
815.50720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
60.30286	0.1
61.98828	100.0
62.98517	0.2
64.14935	0.1
69.20217	1.4
71.01388	0.4
75.71895	0.2
78.91875	0.9
78.95911	0.6
78.98592	0.3
79.95732	0.3
80.96511	2.0
80.96965	0.2
86.98483	0.1
94.98112	0.3
98.20625	0.3
104.14948	0.1
115.92014	0.1
125.02459	0.3
134.97685	0.1
148.99205	0.2
164.98631	0.4
169.01434	0.2
191.05629	0.4
223.13548	0.1
225.00798	0.4
341.10968	0.3
352.63388	0.2
457.39224	0.2
471.34882	0.4
472.35388	0.5
666.71991	0.2
815.50616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20933	1.1
63.11195	1.0
71.52125	1.1
93.03453	1.6
95.01428	1.2
117.03499	1.6
119.05016	1.5
123.00871	1.9
125.02413	1.8
131.05058	1.4
133.02965	1.4
145.02928	4.1
147.04488	2.2
157.02910	1.7
159.04503	2.6
161.02382	2.1
163.00394	1.1
163.04060	2.3
173.02426	4.9
173.46997	1.0
175.03975	5.5
177.01935	1.7
185.02406	6.0
189.01913	2.9
191.03526	3.1
191.05582	7.9
201.01894	8.0
203.03448	9.2
213.01909	2.0
214.02707	1.2
217.01343	1.7
218.02107	1.2
219.02960	2.8
229.01410	15.8
230.01898	1.2
231.03000	6.8
245.00752	5.2
247.02408	3.6
249.04092	6.8
257.00943	15.3
258.01648	6.7
259.01892	1.2
262.01996	1.1
273.00406	1.1
274.01257	2.5
275.01959	50.9
276.02502	5.2
283.99622	2.7
299.99072	4.1
300.99881	100.0
302.00220	10.4
303.57590	1.2
325.15918	1.0
359.99548	1.1
481.05765	1.5
490.96243	1.4
533.61383	1.3
631.42529	1.3
765.97675	1.3
783.06702	18.2
784.06677	3.5
815.09583	23.6
816.09973	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	813.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.5
61.98824	18.2
69.16637	16.2
71.01363	4.1
78.95904	3.0
79.95782	2.1
80.96505	6.2
87.00878	2.0
88.98727	1.7
97.02959	1.9
109.06580	3.5
111.08160	2.2
125.02459	2.2
163.11310	2.2
165.12823	3.3
169.01338	2.2
171.10216	1.7
181.12259	3.7
191.05550	2.2
195.13776	2.8
197.11754	4.8
207.10197	9.1
209.11826	3.5
211.13408	4.6
225.11305	4.8
247.20883	2.0
273.18668	2.5
291.19681	20.4
292.19891	2.2
293.21204	1.7
305.60837	1.9
309.20679	100.0
310.20880	8.2
316.53323	1.9
369.26639	2.0
469.33121	7.3
487.34787	2.5
503.29953	2.1
567.93256	2.2
735.39093	2.0
753.40759	3.5
813.36505	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	814.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98829	100.0
62.98529	0.1
64.16940	0.1
64.17803	0.1
67.12379	0.1
71.01404	0.2
75.32408	0.1
78.95898	0.2
79.95753	0.2
80.96513	1.4
85.02950	0.1
89.37540	0.1
93.03513	0.1
94.98118	0.4
97.02953	0.1
98.19865	0.2
107.05120	0.1
134.97632	0.1
148.99153	0.1
164.98631	0.2
169.01457	0.1
191.05576	0.2
207.10226	0.1
208.10622	0.1
209.11894	0.2
225.00723	0.2
229.22633	0.1
293.21292	0.3
341.23169	0.1
586.54700	0.1
646.00757	0.1
814.48871	0.3
815.38208	0.2
815.50482	1.1
845.12402	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	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98828	100.0
62.98533	0.3
63.99257	0.1
69.72794	0.1
71.01374	0.2
74.16479	0.1
75.00864	0.3
78.95914	0.3
80.96521	1.0
91.84713	0.1
94.98111	0.2
98.20661	0.4
125.02428	0.2
152.99644	0.1
157.08730	0.3
164.91093	0.1
225.00781	0.2
277.21756	0.4
293.21463	0.2
397.80164	0.1
652.21881	0.1
815.49780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
60.99303	19.8
61.98840	1.3
69.15877	2.2
78.95895	0.7
80.96483	0.3
87.00864	1.0
88.00391	1.8
88.98802	100.0
89.02438	11.1
89.99117	1.2
98.19886	0.5
127.32348	0.2
202.80949	0.2
209.11787	1.9
227.12825	0.3
253.09189	0.3
255.23285	0.3
277.21573	1.2
586.45819	0.2
777.37238	0.3
786.49231	0.2
795.39063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43315	0.2
60.99307	19.1
61.98819	1.1
69.56064	1.5
71.01370	0.4
78.95906	1.1
79.95718	0.3
80.96518	0.5
87.00864	1.1
88.00404	2.4
88.98805	100.0
89.02441	10.9
89.99136	1.3
104.68697	0.2
109.06622	0.2
125.75479	0.3
137.82115	0.2
191.05659	0.3
193.37663	0.2
203.82062	0.2
209.11810	1.0
241.01210	0.3
255.23293	0.5
277.21735	1.6
278.21887	0.3
372.66617	0.2
412.22186	0.2
726.80731	0.3
795.39508	0.8
813.41260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17752	0.2
59.01365	0.3
60.99321	0.2
61.98832	1.4
71.01391	1.5
75.00864	0.4
77.18451	0.3
80.96475	0.3
83.01350	0.3
83.09109	0.3
85.02966	0.9
88.98815	1.4
93.03446	0.4
94.40112	0.2
98.20655	0.6
101.02437	0.7
105.03461	0.4
108.02218	0.4
109.02958	0.6
113.02445	0.7
116.92850	0.5
117.03430	0.3
121.02930	0.4
132.02159	0.7
133.02954	21.8
134.03479	0.9
135.04526	12.1
137.02451	0.9
161.02434	100.0
162.02785	4.6
163.03905	0.3
175.03989	1.4
177.05521	0.4
178.02789	0.5
179.03494	10.1
180.03847	0.5
189.05511	0.3
191.05679	1.3
203.03531	1.9
233.04607	0.5
323.07687	61.4
324.08029	5.1
378.72781	0.3
487.34262	33.3
488.34567	5.9
527.53796	0.3
603.94086	0.4
771.82581	0.3
811.42719	26.0
812.43054	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	812.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.17352	0.1
62.98536	0.3
71.52498	0.2
89.02450	0.2
107.01342	0.1
146.76985	0.1
151.00381	0.3
178.99870	0.4
191.05556	0.2
229.24344	0.1
277.21893	0.1
328.10718	0.2
341.11008	0.5
471.34808	1.9
472.35535	0.5
514.06635	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	811.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99292	1.6
71.01379	0.9
85.02962	0.6
88.98805	9.2
97.34859	0.3
98.19885	1.1
105.03419	0.3
109.02961	0.3
113.02444	0.8
117.03510	0.4
132.02155	0.8
133.02956	23.9
134.03354	1.1
135.03493	0.7
135.04521	11.2
136.04800	0.4
137.02440	0.9
147.04506	0.6
161.02435	100.0
162.02757	5.4
175.04005	1.3
177.05646	0.5
178.02708	0.3
179.03484	9.6
180.03842	0.5
189.05547	0.4
191.05550	0.5
203.03519	2.4
233.04550	0.7
248.55670	0.3
323.07690	68.6
324.07990	5.6
487.34274	41.1
488.34634	7.1
811.42743	25.7
812.43085	8.2
838.14056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	0.7
61.98829	2.4
65.73400	0.5
71.01377	1.2
71.05028	1.1
71.53226	0.6
73.02942	0.4
83.05015	0.6
85.02956	1.3
88.98789	2.6
93.03474	0.6
113.02474	0.6
115.02044	0.5
116.92866	0.8
117.03481	0.4
119.04929	0.5
121.03035	0.5
125.02448	0.5
132.02141	0.9
133.02950	24.2
134.03638	0.9
134.71671	0.4
135.04521	11.5
136.04811	0.7
136.89125	0.6
137.02426	1.3
139.03986	0.6
150.30106	0.4
159.04352	0.5
161.02429	100.0
162.02760	4.5
162.80040	0.4
168.53827	0.5
173.04478	0.7
175.03990	1.4
178.02718	0.6
179.03488	10.7
180.03932	0.8
189.05713	0.5
191.05609	4.0
203.03539	2.9
233.04578	1.1
323.07684	82.0
324.08011	7.0
367.20139	0.4
407.33121	0.5
408.33463	0.6
423.32651	0.6
425.34299	1.0
427.32175	0.8
469.33212	8.9
470.33356	2.4
487.34247	33.2
488.34467	5.7
618.15100	0.5
811.42773	23.6
812.43091	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	811.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	20.2
61.98823	1.7
72.31106	0.3
78.95902	1.4
80.96516	0.9
87.00870	1.1
88.00395	2.7
88.98805	100.0
89.02443	13.9
89.03008	0.5
89.99132	0.9
90.02766	0.4
98.20762	0.8
152.29716	0.3
152.99652	0.5
164.98625	0.4
191.05678	0.3
207.10210	0.7
250.97876	0.4
255.23260	0.6
277.21771	0.6
294.16467	0.4
436.61594	0.4
504.00815	0.4
811.42615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75018	0.3
59.14605	0.3
60.99306	20.0
61.98838	1.9
67.39719	0.3
69.67504	0.3
71.01381	0.5
78.95897	1.5
80.96517	0.6
83.04971	0.3
87.00872	1.0
88.00415	1.8
88.98805	100.0
89.02441	11.6
89.99134	1.0
90.02750	0.3
96.83437	0.3
98.19846	0.8
171.10242	0.3
207.10217	0.6
209.11833	1.7
220.78362	0.3
228.87546	0.3
241.00969	0.5
255.23241	0.7
277.21725	1.4
492.34311	0.3
505.23953	0.3
549.10150	0.3
811.42480	1.9
813.99030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.7
59.01383	1.5
60.99298	2.3
61.98832	2.7
67.07341	0.5
71.01389	1.4
71.05011	0.5
71.53061	0.8
72.99306	3.1
75.00879	1.2
85.02942	1.3
87.00890	1.2
88.09833	0.5
88.98803	7.8
93.03462	1.0
96.96029	0.7
101.02450	0.4
103.00416	0.5
104.03532	0.6
105.01929	20.2
113.02470	1.5
116.92846	1.4
119.05056	0.5
120.83958	0.4
123.04539	0.5
125.02421	0.6
132.02165	0.9
133.02953	23.3
134.03693	0.6
135.04529	11.3
136.04903	0.6
137.02455	1.4
145.02989	1.1
149.02501	0.6
149.71017	0.4
161.02441	100.0
162.02773	4.9
169.01382	0.6
175.04019	1.2
178.02788	0.7
179.03496	11.8
180.03835	0.6
182.66382	0.5
189.05547	0.6
190.08871	0.4
191.05640	4.7
203.03535	2.2
209.11855	1.2
210.12219	0.5
213.08931	0.4
233.04654	0.8
307.08127	0.8
311.36142	0.5
323.07684	88.9
324.08063	7.8
377.28476	1.2
393.31540	2.2
403.30106	0.7
405.31845	1.0
407.33612	0.6
408.34323	0.5
423.32736	7.0
424.32947	1.2
425.34149	1.6
439.32248	1.1
441.33661	2.6
457.33069	0.9
467.31628	2.8
468.31567	0.5
469.33154	5.5
470.33533	1.7
487.34244	37.4
488.34674	6.8
663.98572	0.5
694.56317	0.5
811.42706	24.6
812.43170	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	810.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67467	0.1
59.01374	0.2
61.98829	100.0
62.98545	0.2
63.92719	0.1
69.10336	0.1
69.77921	0.3
69.78333	0.2
73.33044	0.1
81.50166	0.1
85.03011	0.1
93.03471	0.2
96.96046	0.2
98.20541	0.2
120.00142	0.1
120.37133	0.1
123.20377	0.1
125.02459	0.1
135.04518	0.2
150.03227	0.4
165.01790	0.1
165.05600	0.3
169.01463	0.1
173.04572	0.1
179.03574	0.2
191.05609	0.7
195.06633	0.2
255.34045	0.1
351.07184	0.2
474.18124	0.1
699.27240	0.3
747.29321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	63.4
70.58418	100.0
78.95885	35.0
78.96329	27.6
83.14908	24.2
86.68613	29.1
95.77929	25.5
98.20042	40.9
102.19766	28.1
105.00838	28.8
177.35558	27.7
214.34306	30.0
231.89127	28.2
241.75014	29.7
249.84711	29.8
255.23712	30.8
277.21591	47.4
582.21246	29.7
594.75012	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	17.5
66.23689	1.1
68.99564	2.7
71.01392	3.1
71.51881	1.8
71.52236	1.3
78.95898	3.9
79.95727	3.7
80.96514	15.9
94.98051	2.5
112.98528	1.4
116.92828	1.7
125.02451	1.4
125.61225	1.2
134.97594	1.5
152.99644	2.4
164.98589	1.9
171.10275	3.1
225.00697	3.9
255.23335	2.5
293.21017	2.5
294.21359	2.1
295.22781	2.8
296.23047	2.4
297.05466	1.4
320.16180	1.3
387.96033	1.4
398.14011	1.4
455.35266	100.0
456.35687	15.1
809.43475	15.0
810.43945	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	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66853	0.4
61.98850	1.7
70.78954	1.4
71.01414	0.5
91.66338	0.5
92.06120	0.5
93.03470	5.1
95.01420	0.8
95.05044	0.6
107.05112	0.5
108.02218	0.6
109.02990	2.6
113.37629	0.6
113.84557	0.5
116.92888	1.9
121.02967	7.3
122.03751	16.1
123.04544	1.8
124.01702	0.7
132.02173	0.9
133.03000	1.7
134.03743	2.7
135.04547	1.6
136.01671	6.1
137.02457	5.3
145.02928	0.8
146.03767	2.0
148.01688	0.5
149.02446	29.7
149.06071	3.0
150.03229	100.0
151.00377	2.2
151.04028	17.6
152.01216	0.6
152.04750	0.8
153.01904	0.5
153.05652	0.5
161.02443	1.0
161.06056	1.0
162.03217	1.7
163.04010	0.8
164.04825	6.4
165.05568	89.1
166.02707	7.1
166.05890	4.3
167.03459	0.7
173.04510	0.6
177.05615	2.3
178.02634	0.7
179.03621	0.7
179.07135	7.8
180.04276	6.7
181.05066	8.5
191.03845	0.7
191.05585	3.4
193.05006	1.0
195.06622	48.4
196.06914	1.5
205.05028	2.1
207.06615	0.7
219.06705	0.9
220.07381	1.3
221.08206	0.7
243.49414	0.5
245.68741	0.5
283.83414	0.5
315.08728	0.6
329.10190	0.9
373.12692	0.9
387.14853	2.6
403.13782	1.1
416.14651	0.8
417.10278	0.6
417.15497	8.8
418.15765	1.3
453.19629	0.5
471.16275	0.8
535.17346	0.7
551.19360	0.8
564.19733	1.6
565.12372	1.0
565.20764	18.7
566.20807	3.7
595.21460	2.2
596.21625	0.7
613.22797	4.3
614.23407	1.1
619.21643	1.1
713.26050	6.7
714.26208	1.3
743.26654	2.4
746.06873	0.6
761.27002	1.4
773.26923	0.6
779.81647	0.5
791.29541	0.8
809.30072	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	808.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98832	3.2
64.57484	0.6
71.01402	0.7
71.53239	0.7
72.12467	0.6
78.54897	0.7
78.95915	7.3
82.31268	0.6
82.60240	0.6
110.13504	0.6
111.00881	0.7
119.05064	0.7
135.04477	1.1
148.08919	1.2
151.11299	1.0
152.99600	1.8
159.90105	0.7
163.11255	1.3
165.12842	20.7
166.13271	1.1
175.11275	0.7
176.11932	0.7
191.05663	0.9
207.10194	1.1
209.11816	1.1
222.96548	0.7
224.06773	0.8
225.11418	0.8
242.08029	2.0
245.79375	0.6
247.20663	11.0
248.21089	1.3
273.18579	5.9
277.21716	67.5
277.60834	0.7
278.22009	6.2
289.18323	1.2
291.19650	100.0
292.20010	10.5
293.21259	0.7
301.00143	0.7
302.57339	0.7
307.19101	0.8
310.20969	0.7
502.29364	33.3
503.29712	4.4
516.33179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36346	0.3
61.49959	0.4
61.98825	0.8
71.01398	1.3
85.02919	0.4
93.03450	4.5
94.03791	0.4
100.91877	0.4
101.22051	0.3
105.03446	0.4
108.02177	0.7
109.02950	1.3
113.02486	0.5
116.92893	2.0
117.92852	0.4
121.02946	5.8
122.03737	17.0
123.00883	0.4
123.04571	0.6
124.01679	1.0
125.99455	0.4
133.02956	1.7
134.03719	1.1
135.04520	0.9
136.01656	3.5
137.02448	3.0
139.03949	0.5
146.03711	1.5
149.02423	22.9
149.06038	1.0
150.03218	100.0
151.00391	2.1
151.03999	7.9
152.04700	0.6
160.24110	0.3
161.02428	0.5
161.06087	0.6
162.03214	0.6
163.04018	0.5
164.04788	5.1
165.05560	96.2
166.02715	4.9
166.05882	4.6
167.03441	0.6
175.03896	0.4
177.01929	0.5
177.05576	1.0
178.02762	0.5
179.03490	0.8
179.07121	5.0
180.04253	7.8
180.07484	0.4
181.05064	6.5
187.04121	0.5
191.03862	0.5
191.05548	3.0
195.06612	67.3
196.06982	3.0
205.04996	1.1
207.06572	0.5
219.06641	0.9
220.07397	0.7
225.07751	0.5
357.09656	0.5
372.11823	0.5
383.71814	0.4
387.14648	3.1
388.15140	0.4
403.13727	0.6
416.14612	0.6
417.15491	7.8
418.15927	0.7
471.16656	0.6
565.20703	11.9
566.20996	1.8
595.21448	1.8
596.22424	0.6
611.21741	0.4
613.22772	4.1
614.22736	0.7
674.55884	0.4
713.25659	1.6
743.26563	0.8
761.27814	1.0
773.27051	0.4
789.24121	0.4
809.30243	1.1
810.31256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.9
59.01364	24.5
60.64504	4.5
61.98829	38.3
71.01386	50.9
71.33100	8.9
78.95899	33.5
83.05035	6.1
84.16944	5.0
84.84490	4.5
85.02946	7.8
89.02449	7.9
101.02446	16.2
109.06583	52.1
111.00896	5.4
111.04559	8.6
111.08144	10.1
113.02404	6.9
125.02502	7.0
135.08186	9.1
152.99649	7.3
161.09683	8.0
163.11292	29.7
169.01341	6.6
171.10240	24.4
179.10739	11.5
181.12328	10.7
191.05638	15.2
195.13901	9.6
197.11786	14.1
205.08691	14.9
207.10262	100.0
209.11784	30.6
211.13408	10.9
223.09773	43.5
223.13399	8.1
225.11325	59.0
226.11815	8.7
235.08179	6.7
241.10875	6.2
253.09331	23.9
275.20166	10.3
282.90552	6.0
291.19669	79.7
293.21198	35.6
296.43152	5.2
381.92957	5.6
417.91583	5.4
461.20218	12.8
533.91193	5.9
713.06116	6.3
807.41351	8.0
808.41730	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	807.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.4
61.98833	67.2
69.95827	38.3
71.01411	11.0
78.95892	16.8
80.96530	17.4
81.95288	9.5
99.67477	8.0
135.04474	17.9
169.01288	9.3
179.03590	9.6
191.05606	21.0
209.11838	100.0
210.12192	10.9
227.12926	19.3
253.09348	27.4
291.19754	11.0
293.21252	68.8
410.50656	8.4
445.20844	13.1
530.61407	9.5
598.62567	11.1
609.27362	9.3
740.46350	11.8
807.42163	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.2
59.01379	17.3
61.98531	5.6
61.98830	66.5
64.20880	3.0
67.23676	2.9
68.73297	2.7
71.01377	55.4
71.53231	5.1
78.95895	19.9
82.16518	3.4
83.01420	3.5
83.05012	4.5
85.02959	4.5
87.00894	5.1
89.02436	7.1
97.02946	4.0
97.06590	3.9
99.00844	5.1
101.02422	11.6
109.06573	20.9
111.04520	3.5
111.08154	10.9
119.04858	2.9
123.08154	4.1
125.02448	8.5
125.09715	7.2
135.08147	5.3
152.99608	8.5
161.04494	7.3
161.09610	5.2
163.11266	12.5
169.01347	4.9
171.10257	11.0
177.09167	4.5
179.10675	7.2
181.12361	4.6
191.05504	7.4
195.13829	15.6
197.11807	7.3
205.08679	15.0
207.10263	52.3
208.10612	6.9
209.11797	11.4
223.09784	16.3
223.13374	14.5
225.11287	30.5
235.08258	7.9
253.09216	19.9
275.20132	7.3
291.19641	100.0
292.19897	10.8
293.21161	47.7
294.21362	3.6
313.67328	3.2
461.20300	5.2
468.44904	3.3
794.35071	3.7
807.40912	10.2
808.28906	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	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01376	3.2
61.98824	1.9
65.12846	0.1
68.22028	0.1
69.03458	0.2
71.01381	2.3
72.99271	0.1
73.02936	0.4
78.95890	0.3
79.52461	0.1
80.91697	0.2
80.96506	0.3
82.95409	1.1
83.01402	0.2
84.00868	0.2
85.02953	0.7
87.00863	0.4
89.02439	2.3
95.05002	0.3
97.02935	0.2
97.06615	0.2
98.19868	0.4
99.00867	0.2
100.55436	0.1
100.68002	0.2
101.02448	2.8
111.08131	0.4
113.02443	1.1
113.09720	0.5
119.03511	0.7
134.67091	0.2
143.03482	0.2
161.04527	1.5
167.10765	0.4
171.10251	0.3
177.12836	0.2
179.05591	0.4
179.14400	0.9
195.13895	9.1
196.14490	0.8
205.12325	0.7
205.15982	0.5
211.13353	0.3
223.13391	5.5
224.13847	0.5
228.13661	0.6
229.38899	0.2
231.21143	0.3
235.08211	0.9
245.71356	0.2
249.22179	0.2
253.09276	16.1
254.09563	1.0
256.13220	1.4
265.21671	0.3
275.20129	6.4
276.20526	0.6
277.21725	0.2
291.19785	0.2
293.21210	100.0
294.21536	8.3
492.22165	0.4
529.30298	1.0
530.30579	0.4
569.41937	1.1
570.42328	0.2
627.88000	0.2
805.40021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01377	6.3
61.74308	0.4
61.98832	5.5
68.96645	0.4
69.03449	0.7
70.80614	0.4
71.01382	4.8
71.52068	0.5
72.99312	0.9
73.02933	1.5
78.95887	0.8
80.96503	0.6
83.01377	0.6
83.37376	0.4
85.02953	1.4
87.00865	1.4
88.28404	0.4
89.02442	4.0
95.01431	0.5
97.06582	0.6
101.02449	4.7
105.01939	2.8
108.16657	0.4
111.08160	7.7
112.32380	0.4
113.02451	2.6
119.03506	1.3
125.02454	0.7
142.06902	0.5
143.03430	0.6
145.05112	0.9
152.99579	0.6
153.12785	0.5
161.04532	1.9
169.12367	2.8
179.05592	1.0
179.10744	0.5
181.12288	0.6
197.11826	36.0
198.12172	1.8
199.13412	2.4
211.13391	5.4
233.15416	0.7
234.86873	0.4
235.08208	6.6
253.09265	15.8
253.11868	0.9
254.09509	0.8
263.20242	2.5
265.18130	0.6
273.18668	0.7
277.21704	100.0
278.22052	9.1
291.19656	18.4
291.23044	0.7
292.19907	1.4
309.20688	35.6
310.21027	3.6
386.62064	0.5
582.55420	0.5
594.99402	0.5
805.42834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01379	2.0
61.98831	2.9
65.43546	0.2
71.01379	0.4
71.05014	0.3
78.95905	0.8
80.96497	0.5
83.05029	0.5
87.92782	0.2
89.02440	0.2
93.03426	0.2
95.05016	0.8
97.06598	0.2
98.19852	0.4
109.06597	0.5
110.46236	0.2
111.08159	9.3
112.08489	0.4
113.09726	0.4
123.08092	0.2
135.11789	0.6
137.09711	0.5
139.11285	0.3
141.09224	0.3
149.09692	0.6
151.11244	0.2
152.99571	0.3
155.10722	0.2
165.12788	0.2
167.10768	2.1
171.10300	0.2
177.12862	1.9
179.10771	1.5
179.14381	0.2
195.13908	6.2
196.14230	0.6
203.14417	0.3
229.13908	0.2
247.20682	2.1
253.09248	0.8
273.18512	1.4
277.21719	5.0
278.22110	0.5
291.19653	100.0
292.19998	8.9
296.09518	0.2
408.36850	0.2
512.74506	0.2
805.40082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
57.40462	0.3
58.00618	0.9
59.01377	16.1
61.98829	3.8
62.60213	0.4
68.99596	0.7
69.03492	1.6
71.01380	16.1
71.27274	0.4
72.99333	1.4
73.02954	2.4
74.19698	0.4
75.00918	0.7
78.95934	1.2
79.95722	0.5
80.02702	1.4
81.03458	2.6
82.95429	0.8
83.01390	1.9
83.05023	6.1
84.02187	1.1
85.02950	4.1
87.00876	3.8
89.02444	14.5
91.04031	0.4
93.03492	0.9
95.01407	1.5
95.05047	0.8
96.96005	5.2
96.96998	1.7
97.02985	1.7
98.19774	0.7
98.95627	0.7
99.00938	1.0
99.92573	0.5
101.02448	10.7
101.03096	0.6
109.06613	0.4
111.04523	0.7
112.98596	0.9
113.02457	6.6
114.93417	0.9
116.92841	2.4
119.03488	4.5
125.02457	5.4
125.06104	0.8
125.09700	0.4
131.03549	0.9
133.05017	0.5
137.02541	0.4
139.04053	0.8
141.01949	0.5
143.03479	2.6
147.11809	0.5
149.04514	0.5
153.12862	0.5
161.04582	3.3
163.11317	4.8
165.12851	3.4
167.03482	0.4
169.01427	0.4
169.12338	5.4
171.10327	0.8
173.04562	0.4
179.05612	4.0
179.10594	0.5
181.05083	0.6
181.12399	0.9
185.04665	0.4
191.05583	2.6
191.10762	1.1
197.11823	74.6
198.12131	3.2
199.13365	1.0
201.11311	1.3
208.10651	0.4
209.11813	100.0
210.12135	6.5
211.13397	0.6
217.07115	0.6
221.06628	1.3
227.12883	17.0
228.13271	1.1
235.08202	4.5
235.13373	0.8
251.12730	0.6
253.09282	1.0
254.01843	0.4
263.07614	0.6
287.07693	1.7
305.08694	1.5
315.10587	0.4
323.09708	0.9
379.12442	5.2
380.12524	0.5
389.22845	0.7
397.13480	34.9
398.13849	2.8
415.14545	7.8
416.14960	0.6
577.24341	0.9
589.24286	0.7
595.25446	1.5
607.25751	1.5
769.35492	1.0
787.36523	1.2
805.38068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
59.19928	0.8
61.98826	1.1
65.68368	0.8
67.01897	2.7
69.03470	1.0
71.01378	3.7
81.03442	1.1
85.02942	8.8
86.03316	1.1
87.00876	3.8
93.03450	9.2
96.96025	1.5
107.05032	1.3
109.02969	4.3
111.04506	1.6
115.00378	0.9
115.16272	0.8
116.92870	2.4
119.04993	1.2
121.02974	1.9
122.03643	0.8
123.00871	1.7
124.01681	1.6
125.02447	2.1
127.04005	1.7
134.03717	0.9
135.04549	12.7
136.01634	1.7
136.04865	3.5
137.02448	26.2
137.03511	1.2
149.02458	1.6
150.03215	5.8
151.00385	6.4
151.04015	7.0
152.01088	1.5
152.04791	1.7
159.04474	1.0
161.02411	1.5
161.20879	0.9
163.03961	1.3
164.01164	2.5
165.01926	100.0
165.05553	7.7
166.02702	19.4
167.03418	1.5
173.04501	3.2
177.01953	1.6
177.05519	1.1
178.02696	1.5
179.03502	25.8
179.07037	0.9
180.04272	52.0
181.05072	24.9
182.05424	1.4
187.03995	2.0
190.06230	0.8
191.05605	65.2
192.04297	1.7
192.05933	8.8
193.06262	4.7
194.05786	4.1
195.06613	67.3
196.06961	4.0
205.05032	4.3
207.06540	1.6
210.05296	10.7
211.05977	1.2
220.07382	2.6
225.07674	47.0
226.08006	1.9
241.05035	0.9
242.06062	1.0
280.07391	1.1
300.99838	1.2
307.71133	0.9
308.08801	1.8
310.09659	1.3
323.04941	0.9
352.07974	2.9
353.08545	4.9
354.08786	4.2
355.09076	2.7
357.13449	1.6
371.11307	1.1
387.10666	2.9
387.14581	2.6
402.13245	3.2
403.14117	1.9
404.98807	1.0
416.14749	2.1
417.15533	34.8
418.15723	4.9
439.14236	1.3
565.16852	2.5
583.21710	2.0
595.21844	40.6
596.22192	7.9
613.20392	1.6
643.23975	17.5
644.24200	3.1
787.24780	6.1
788.25073	1.2
805.24896	9.6
806.25940	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	805.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
61.12025	1.1
61.98822	9.1
69.39193	9.4
71.01369	3.0
85.02968	11.3
87.00879	5.3
89.02470	1.7
93.03462	11.4
96.96014	2.4
98.20715	2.7
109.02938	5.7
111.04558	1.7
113.02473	1.4
115.25305	1.2
121.02972	2.2
123.00834	1.8
124.01707	1.5
125.02440	5.7
127.03983	2.1
133.02956	1.8
135.04549	11.9
136.04875	2.7
137.02434	27.6
139.00327	1.3
147.04533	1.5
149.02422	2.0
150.03217	4.5
151.00372	15.1
151.04004	6.3
152.04796	2.8
155.03453	1.6
157.15077	1.3
159.04433	2.3
161.02420	2.1
163.04068	2.1
164.01198	2.1
165.01921	100.0
165.05580	5.3
166.02710	36.2
167.03397	2.8
169.01430	4.6
172.22658	1.1
173.04526	4.7
173.05882	1.2
175.03917	2.4
177.01871	2.6
177.05553	2.3
178.02666	2.8
179.03493	25.7
179.07037	1.4
180.04269	58.2
181.05048	41.7
182.05232	1.3
184.05595	1.1
187.04021	2.5
190.06331	1.5
191.05602	77.7
192.04295	2.5
192.05945	7.8
193.06253	2.2
194.05801	5.4
195.06621	78.3
196.06979	3.2
203.03630	1.6
203.52028	1.4
205.05034	5.1
207.06580	2.5
209.08051	1.7
210.05299	9.6
220.07373	3.3
225.07675	68.7
226.08038	3.9
253.08641	1.5
254.09573	1.3
328.46463	1.4
352.07895	2.7
353.08606	6.2
354.08896	3.9
355.09290	2.5
359.11328	2.4
387.10736	3.9
387.15060	6.1
388.11023	2.1
402.13058	4.1
416.14618	3.4
417.15485	53.2
418.15891	7.7
439.13824	3.6
576.29181	1.3
595.12115	2.8
595.21802	55.3
596.22180	12.1
604.48962	1.5
613.19788	3.6
625.23431	1.7
643.23877	30.0
644.23999	3.0
708.18182	2.0
787.24762	12.2
788.25751	3.7
805.24884	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	805.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
67.01884	0.7
71.01389	0.9
71.52399	0.8
71.54130	0.5
77.78829	0.4
79.95741	3.9
85.02953	4.6
87.00855	1.9
93.03455	5.1
96.96008	100.0
99.04480	0.5
109.02940	1.0
111.04535	0.9
115.00377	1.0
127.03998	1.3
133.02951	0.5
135.04549	0.6
136.56496	0.4
155.03477	0.5
161.02434	1.5
171.03079	0.6
173.04532	3.7
179.03465	0.5
191.05602	46.3
192.05936	2.2
219.03067	0.4
232.13747	0.4
241.05127	0.7
242.05721	2.1
243.06558	3.4
271.09555	0.8
297.07690	1.1
323.05634	1.5
353.08612	0.9
386.58749	0.4
542.89398	0.5
707.18250	30.5
708.18597	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	804.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76975	0.1
61.98828	100.0
62.98515	0.2
62.99284	0.1
63.99254	0.2
67.18500	0.1
70.93394	0.3
71.01394	0.3
78.18852	0.1
78.95922	0.5
79.95757	0.4
80.96510	1.7
94.98100	0.4
101.02479	0.1
106.98135	0.1
122.32473	0.1
134.82382	0.1
134.97604	0.2
152.98584	0.2
152.99666	0.2
153.44447	0.1
164.98604	0.4
199.92104	0.1
204.79346	0.1
209.11906	0.2
225.00763	0.5
241.01469	0.1
471.34723	0.2
712.29163	0.1
728.34735	0.1
804.39044	0.7
805.40314	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	805.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46614	0.7
59.01364	2.9
61.98809	1.7
67.01875	1.7
69.50370	3.0
69.50781	1.5
71.01370	2.8
75.82316	0.6
77.36158	0.8
81.03429	0.9
85.02948	12.1
87.00887	4.5
93.03458	10.0
94.03783	0.8
95.01385	0.8
98.19942	1.2
99.04558	0.8
101.02452	0.7
109.02946	3.1
109.67719	0.6
111.04487	2.3
121.02944	1.4
123.00881	1.6
125.02459	6.1
127.04016	3.6
135.04529	2.2
136.01639	0.7
136.04794	1.0
136.97046	0.6
137.01468	1.0
137.02454	13.7
143.05031	0.8
149.02472	0.7
150.03217	1.4
151.00378	5.1
151.03957	2.5
152.01166	0.9
152.04794	1.1
153.01973	1.1
158.90239	0.7
159.04482	1.5
161.02458	1.5
164.01106	1.4
164.04762	1.0
165.01923	50.1
165.05617	2.3
166.02699	12.8
167.03435	1.4
169.01422	6.3
171.03136	0.8
171.04530	2.4
173.04578	4.9
177.01917	1.6
177.05524	0.8
178.02594	1.0
179.03491	12.4
180.04279	28.4
181.05051	15.1
183.04469	4.1
187.03978	2.0
187.07652	1.1
191.05606	100.0
192.04292	0.7
192.05933	13.9
193.01537	0.7
193.06158	3.9
194.05859	1.9
195.02954	1.1
195.06619	35.8
196.06982	1.5
197.02420	0.8
198.03249	3.3
199.03976	7.2
200.04694	1.0
201.01927	0.7
201.05576	4.2
205.05061	2.4
207.06754	1.2
210.05307	5.2
211.02374	1.5
211.04019	7.0
220.07375	1.3
225.01935	2.4
225.05440	1.4
225.07677	28.9
226.02538	1.9
227.03487	16.7
228.03917	1.5
229.01309	1.7
229.04990	3.2
245.04570	1.8
253.01421	8.7
253.04060	0.9
253.04979	0.8
254.01797	1.3
255.02991	11.1
256.03540	0.7
257.08191	2.4
258.08524	0.9
269.04575	1.0
271.04623	1.5
273.04050	7.6
274.04587	1.1
281.00970	4.4
297.00284	1.1
297.03558	0.9
298.01184	6.0
299.01779	1.4
353.08771	2.1
354.09155	0.9
355.08585	0.9
387.10315	3.3
387.14651	2.0
402.13263	2.6
403.14191	1.3
416.14792	1.8
417.15527	24.0
418.16055	2.3
439.13818	0.8
447.09448	3.7
449.14615	1.9
457.14914	1.2
461.07397	0.8
491.08331	16.2
492.08508	1.6
565.18494	0.7
587.10474	1.0
593.11511	1.3
595.21826	28.7
596.21674	3.1
613.08563	1.1
613.20807	1.3
631.09454	1.3
635.12421	3.3
636.12573	0.9
643.23938	11.7
643.33612	1.0
644.23840	1.6
653.13574	12.7
654.14240	1.0
766.48889	0.7
787.24615	1.3
804.24402	2.0
805.14417	6.6
805.27643	6.5
806.14905	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	804.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
60.57576	0.1
61.16655	0.1
61.98828	100.0
62.98533	0.3
63.99257	0.2
69.77313	0.6
69.77726	0.3
71.01383	0.3
78.95913	0.8
79.95735	0.4
80.96513	1.9
85.02976	0.2
91.14731	0.1
94.98108	0.5
96.96002	0.2
98.19899	0.3
152.99619	0.4
164.98633	0.3
191.05588	0.7
209.11786	0.2
220.51314	0.1
223.13426	0.2
225.00836	0.6
271.95810	0.2
356.61069	0.2
380.07089	0.2
545.27057	0.4
804.39410	1.0
805.40216	1.4
813.36237	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	803.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01374	5.6
61.98827	9.8
63.71712	0.4
69.03441	0.6
71.01379	4.4
72.99284	0.4
73.02930	0.5
78.95891	1.2
80.96497	1.9
82.00003	0.3
83.01371	1.0
83.05012	0.9
85.02950	1.1
87.00852	0.8
89.02435	2.0
94.98076	0.5
95.01381	0.5
95.05037	1.0
101.02436	3.4
103.73038	0.4
109.06580	0.5
111.08152	8.5
113.02456	1.8
113.09727	0.8
119.03473	0.8
121.06551	0.4
128.22072	0.4
143.03432	0.6
144.29413	0.3
145.05035	0.4
149.09686	0.6
152.99681	0.5
161.04597	1.8
164.98633	0.4
167.10745	2.1
177.12793	2.2
179.05667	0.9
179.10753	1.3
179.14409	0.6
195.13892	12.8
196.14290	0.8
203.14499	0.6
205.12218	0.8
205.32872	0.4
209.11810	0.7
211.13351	0.8
223.13351	5.1
224.13882	0.6
225.00728	0.6
225.14915	0.5
228.13727	0.8
231.21228	0.4
235.08244	2.5
247.20706	2.1
253.09258	15.9
254.09567	0.8
256.13217	0.9
273.18521	1.4
275.20120	4.6
275.22809	0.5
276.20609	0.4
277.21628	0.7
279.23340	0.6
289.17886	0.4
291.19641	100.0
292.19977	10.4
293.21204	79.2
294.21524	8.5
309.32965	0.4
486.63834	0.4
492.21823	0.7
527.28607	8.0
528.28992	1.3
529.30267	1.0
660.84906	0.4
785.40906	0.6
803.40564	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	803.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.5
61.98828	78.6
63.96225	3.9
71.01009	3.2
71.01379	44.9
71.53313	2.8
78.95918	9.9
78.98580	7.7
79.95291	3.0
79.95735	36.3
80.02623	2.3
80.96516	91.8
81.03427	2.7
83.01379	3.9
83.05015	4.6
85.02945	10.3
87.00857	6.5
87.04540	2.0
89.02451	4.7
93.03455	6.4
94.98089	19.1
96.96009	6.0
96.96936	3.5
97.02939	4.1
97.06554	3.4
99.00854	4.3
101.02419	7.4
106.98071	5.3
109.06586	11.1
111.04509	2.9
113.02427	3.7
122.97535	5.5
125.02406	8.0
125.09737	3.3
128.90175	2.3
129.01895	2.2
129.26369	2.1
134.97545	6.7
135.04546	2.9
143.03474	2.6
143.19629	1.9
148.99152	10.9
151.11351	2.1
152.98595	7.2
161.04567	2.4
161.09695	3.5
163.11252	8.1
164.98669	15.8
171.10236	10.1
173.04591	2.6
181.12343	5.8
185.11754	2.5
191.05611	35.1
192.05957	2.6
197.11870	12.9
199.13330	3.3
201.11317	4.6
206.99658	5.3
207.10255	31.1
209.11806	36.4
211.13327	8.9
211.17245	2.1
225.00735	28.9
225.11270	20.9
227.12871	6.0
243.12363	2.5
253.09308	10.3
283.04950	2.9
287.16455	8.1
289.18085	6.3
291.19623	5.9
305.17471	5.8
309.20700	14.8
310.20810	2.7
341.05594	2.3
343.24472	2.0
351.64468	2.4
376.20401	2.1
425.45544	2.1
461.19925	6.9
475.58603	2.2
509.16815	3.1
514.28479	2.6
753.41937	2.6
771.41840	4.1
787.32477	3.8
803.38770	100.0
804.39069	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
58.00599	1.6
59.01376	16.8
61.98830	11.2
65.31289	1.0
69.03455	4.5
71.01378	45.1
72.01723	1.2
72.99317	2.1
73.02942	5.3
73.03304	0.8
78.95892	7.1
79.95740	1.6
81.03458	3.0
83.01390	5.2
83.05018	6.2
84.02155	3.0
85.02961	7.1
86.30711	1.0
87.00877	4.6
88.98793	1.6
89.02435	10.3
93.03470	1.9
95.01383	2.5
95.05027	3.1
96.96007	18.9
96.96937	4.4
97.02953	3.0
97.06578	9.5
99.00926	1.0
99.04528	1.7
101.02446	9.8
101.30936	0.9
109.06593	5.2
110.03742	0.9
111.04546	1.3
111.08133	0.9
112.98567	1.2
113.02430	5.5
114.93452	1.2
116.85480	0.8
116.92870	2.6
119.03494	3.2
123.08186	1.1
125.02472	2.9
125.09726	7.6
126.94549	0.9
127.04045	0.9
127.11311	1.7
128.90126	1.9
131.03517	1.1
133.86386	0.9
135.04491	1.2
135.08192	1.9
137.09698	1.6
139.07573	0.9
143.03490	1.6
145.05095	1.4
153.09163	1.5
155.10829	1.1
161.04536	4.2
163.11296	7.2
165.12811	3.4
171.10263	56.1
172.10623	3.4
173.04503	1.7
179.05626	2.7
179.10812	1.3
181.12337	4.1
183.13902	4.5
185.11823	3.5
189.09248	2.1
191.05615	10.1
191.10786	2.8
192.05930	1.0
193.12323	11.0
197.11809	3.3
198.12177	1.0
198.58069	1.0
199.13412	1.3
201.11317	19.9
202.11783	1.3
207.10245	18.5
208.10594	1.1
209.11819	48.7
210.12146	2.4
211.13385	63.0
212.13741	5.4
215.12843	1.7
223.13379	1.4
225.11325	38.3
225.14851	17.2
226.11926	4.3
226.15311	1.4
227.12877	5.1
235.08261	10.1
241.14447	20.4
242.14769	1.8
243.12346	3.1
243.16040	7.6
253.09286	23.4
253.14513	1.1
254.09509	1.2
254.14816	1.1
291.19617	1.7
295.10257	2.2
321.20813	2.3
323.22223	1.4
341.23288	100.0
342.23676	11.6
379.12503	3.2
397.13501	12.9
398.14020	1.8
407.18933	1.2
415.14188	2.6
461.20319	5.0
495.33517	1.6
577.32013	1.8
591.26471	2.1
609.27484	2.9
785.42242	4.0
803.43488	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	803.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
59.01112	1.7
59.01379	18.1
61.96125	1.1
61.98817	5.5
63.70148	1.1
65.14845	1.2
68.99574	4.1
69.03443	2.1
69.94084	5.6
71.01380	64.6
72.99303	2.0
73.02924	4.3
75.97355	1.2
78.95907	6.2
81.03440	3.6
83.01360	3.5
83.04991	3.7
84.02181	2.3
85.02940	5.7
87.00855	3.9
89.02438	9.7
93.03445	3.7
96.96010	25.3
96.96954	6.2
97.02959	3.2
97.06577	12.2
99.00880	2.1
99.04517	2.3
101.02428	12.0
109.06583	8.7
112.98544	4.9
113.02432	7.2
116.92848	2.7
118.95467	1.4
119.03532	2.2
125.02450	2.4
125.06115	1.3
125.09711	7.3
127.08556	1.3
127.11285	3.5
133.05040	1.9
135.08217	2.0
137.09738	1.7
143.03458	2.5
145.05002	2.1
151.17636	1.4
155.10773	2.6
161.04514	4.8
161.09694	1.8
163.11278	9.4
165.12822	2.4
169.12341	1.6
171.10262	63.8
172.10693	2.5
172.65623	1.3
179.05539	2.0
181.12297	3.1
183.13995	3.1
185.11711	2.5
191.05582	12.4
191.10776	3.0
193.12326	13.8
197.11819	5.3
199.09702	1.8
201.11316	20.2
202.11583	1.5
207.10236	23.3
208.10478	1.7
209.09908	2.8
209.11812	41.6
209.13794	2.6
210.12076	2.9
211.11493	2.4
211.13387	37.8
212.13678	2.6
225.11322	40.9
225.14867	17.0
226.11786	4.9
227.12836	4.9
235.08186	9.5
241.14404	18.6
243.12338	4.4
243.16000	6.6
253.09264	21.8
276.99844	1.5
295.10117	2.1
305.21011	1.8
331.44504	1.5
341.23288	100.0
342.23672	11.3
397.13528	7.9
415.14651	2.2
443.19238	2.5
461.20126	10.8
495.32977	3.2
577.32025	2.0
609.28064	2.0
785.42670	3.2
786.44037	2.2
803.44574	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	803.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30777	1.1
59.01374	5.7
61.98829	24.4
62.34599	0.9
63.06933	1.0
63.96226	3.0
69.03453	1.7
70.56367	1.1
71.01010	1.6
71.01380	19.0
72.01711	1.0
73.02927	2.8
76.79860	0.9
78.95892	5.0
78.98592	7.3
79.95732	40.9
80.96515	91.7
81.03423	1.8
83.05017	1.3
85.02943	5.2
87.00867	4.4
88.98772	1.0
89.02419	1.1
93.03458	2.6
94.98079	17.3
96.95988	2.3
97.02940	2.8
99.00863	1.5
101.02446	4.7
103.47142	1.0
106.98071	3.7
112.74638	0.9
116.92875	1.3
119.94268	0.9
122.97548	4.8
125.02445	5.4
127.04014	1.4
134.97588	7.6
136.99135	1.7
148.99144	8.9
152.98631	7.8
152.99660	1.6
161.04474	1.3
161.08641	1.2
163.11243	1.1
164.98627	15.3
169.01428	1.3
171.10201	2.2
173.04533	2.3
180.79605	1.0
188.98805	1.0
191.05623	10.0
192.05949	1.1
195.13860	2.1
197.11781	4.7
199.13284	1.3
206.99719	4.4
207.10371	4.6
209.11809	10.8
211.13313	2.7
225.00728	28.4
225.11319	5.1
225.29333	1.0
227.12901	1.3
241.00191	1.2
241.14441	1.3
253.09244	2.3
273.16995	1.6
277.21762	2.1
283.04846	2.8
291.19653	1.6
295.22729	8.5
309.20596	3.7
341.05331	2.2
447.73831	1.0
499.85843	1.1
509.16818	3.6
581.19519	1.7
599.71692	1.1
625.53455	1.0
659.35541	1.6
730.43085	10.1
803.38818	100.0
804.39148	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76663	0.1
59.01374	0.4
61.98823	1.8
62.96421	0.1
63.99267	0.1
68.99568	1.5
71.01379	0.4
78.95900	15.7
79.95731	4.1
82.95414	0.2
83.05038	0.1
85.02946	0.2
87.00903	0.1
89.02451	0.2
93.03455	0.2
94.98092	0.2
96.96011	100.0
96.96925	19.9
97.95928	0.3
101.02429	0.2
110.06612	0.1
112.98547	1.2
125.02394	0.2
129.01944	0.1
159.04535	0.1
169.01370	0.2
171.10283	0.2
191.05603	1.3
195.10396	0.1
207.10233	0.2
209.11810	1.2
211.13358	0.1
227.12959	0.2
243.06773	0.1
244.26431	0.1
253.09052	0.3
330.30591	0.1
470.03845	0.1
803.37396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
61.98827	32.8
63.96216	0.9
69.03439	1.0
70.94297	1.6
71.01005	1.4
71.01376	17.9
73.02928	2.9
78.95905	8.0
78.98598	7.6
79.95734	31.8
80.96514	93.2
81.03443	1.6
83.05010	2.0
85.02938	5.3
87.00885	4.6
93.03466	2.2
93.97281	1.1
94.97487	1.3
94.98074	21.6
96.96010	2.3
97.02921	2.4
101.02454	4.4
106.98070	4.2
109.06577	1.8
111.04493	0.9
116.92834	4.7
122.97543	6.1
125.02480	4.6
125.09624	1.0
134.97614	6.1
136.99124	2.8
148.99123	7.7
152.98575	6.9
152.99619	1.1
161.04477	1.2
163.11247	2.6
164.98625	16.7
168.04230	1.3
171.10254	1.5
173.04570	1.9
179.00212	1.4
191.05597	10.9
195.13823	2.3
197.11752	3.2
205.60376	0.9
206.99718	5.1
207.10191	3.3
209.11795	17.9
211.13429	4.8
225.00716	27.4
225.11195	2.2
226.01141	1.1
227.12796	3.0
230.45068	1.0
241.14407	1.3
253.09312	1.3
277.21469	1.8
277.42468	1.0
283.04855	3.0
295.22781	6.2
309.20673	1.2
309.37769	0.9
341.05524	1.9
451.05618	0.9
509.17065	4.7
581.18774	1.0
659.35876	1.9
705.31537	1.1
730.42810	12.6
744.44910	1.2
803.38794	100.0
804.39270	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91762	1.1
59.01378	17.2
59.16805	1.3
61.98842	5.5
67.01879	3.1
68.99815	3.3
69.03456	11.5
71.01375	15.2
71.54858	2.3
72.99326	1.3
79.01896	4.2
79.95723	1.5
80.96510	4.6
81.03452	2.8
83.05001	2.2
85.02934	11.4
85.03409	1.5
87.00874	5.7
89.02433	13.1
93.03450	11.7
95.01378	3.3
96.96017	2.9
97.02950	4.9
101.02451	5.7
108.02145	2.6
109.02940	1.6
111.04512	20.0
113.02447	4.4
115.00307	1.4
119.03506	5.5
121.02954	3.8
121.06556	1.4
123.00884	7.9
123.04475	4.6
124.01664	2.6
125.02419	4.6
127.03973	2.4
133.02951	1.4
134.03752	3.0
135.04520	40.3
136.04897	1.5
137.02419	2.4
143.03477	1.2
147.04558	1.3
149.02446	6.6
149.06039	4.7
150.03221	3.0
151.03981	5.0
155.03491	49.8
156.03900	1.9
161.02390	3.5
161.04536	3.2
163.03900	1.0
165.05571	2.7
169.01389	1.3
173.04556	8.6
178.02766	1.5
179.03479	12.5
179.05586	16.7
191.05591	100.0
192.05922	6.4
193.04973	7.8
207.06551	2.1
221.32881	1.2
225.07681	16.6
226.07973	1.5
230.82607	1.1
241.04922	1.2
294.05392	2.2
295.06049	1.6
301.03107	1.1
307.08282	3.7
308.08902	8.2
352.07986	23.2
353.04510	2.2
353.08719	32.1
354.08957	3.2
355.10233	3.6
373.11221	2.0
387.12906	14.5
414.94977	1.3
449.14374	2.6
463.10654	3.1
511.14520	29.2
512.14777	3.4
514.11053	1.2
581.18634	11.1
582.19788	1.3
706.16980	6.2
743.23737	2.6
766.98901	1.3
803.22351	2.1
803.35095	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	803.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
69.37080	3.4
71.01385	2.3
72.99353	0.4
81.03453	0.8
83.01402	0.4
83.05029	0.8
85.02946	9.2
85.03460	0.5
87.00863	3.4
93.03450	8.7
94.03821	0.6
98.20671	0.9
103.31697	0.4
108.02168	1.7
109.02935	1.8
111.00914	0.6
111.04526	2.5
115.00371	0.8
121.02952	1.2
122.03722	1.1
124.01684	2.9
125.02412	1.7
126.03248	1.1
127.04016	2.3
133.02919	0.9
134.03732	3.2
135.04517	48.5
136.04892	1.8
137.02419	1.5
150.03238	2.4
151.03979	5.8
155.03363	0.6
161.02441	2.8
163.07613	0.5
171.02992	0.5
171.07909	0.5
173.04552	4.3
178.02693	0.8
179.03479	13.0
180.04002	1.2
187.04036	0.8
187.07541	0.5
191.05597	100.0
192.05902	5.7
193.05919	0.5
213.05544	0.7
222.53641	0.4
241.05057	2.0
242.05843	1.7
244.28639	0.5
267.06769	0.5
290.07935	0.5
293.04373	1.1
295.05963	0.7
296.06818	0.5
301.03571	0.6
307.08163	4.4
308.08984	11.0
309.09494	1.0
322.04880	1.4
339.12335	2.2
352.03558	0.9
352.07950	20.0
353.08710	25.8
354.09164	2.1
411.72263	0.5
449.14966	0.5
455.13852	0.6
462.50562	0.4
463.10925	1.0
611.17621	1.1
629.18921	0.5
706.17816	0.8
803.23462	13.7
804.24078	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	803.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10211	0.5
57.91236	0.5
59.01365	2.3
60.99297	1.0
61.98821	11.0
67.01897	2.8
69.03460	0.8
69.27037	4.6
71.01368	4.1
73.02955	0.5
81.03442	1.1
83.04984	0.8
85.02946	14.6
86.03269	0.8
87.00871	7.1
93.03449	22.3
99.00893	0.9
99.04527	0.6
107.57207	0.5
109.02950	5.3
111.04495	4.3
115.00368	4.0
125.02438	0.6
127.04019	3.0
129.01913	0.8
135.04524	3.6
137.02441	1.4
146.03729	0.9
147.04485	1.3
149.06131	1.3
151.04034	0.6
155.03450	0.7
159.04572	1.3
161.02393	1.5
163.03992	3.7
166.02687	0.5
171.03023	0.7
172.05351	0.9
173.04546	14.3
173.05998	1.8
174.03221	1.3
175.03935	2.4
175.07683	1.1
187.03981	2.0
187.07634	4.2
188.04770	0.7
189.05536	0.9
191.05591	100.0
192.05934	4.3
199.04073	0.9
199.07613	0.6
200.04665	0.8
201.05473	0.9
201.09187	1.0
203.07144	0.6
213.05545	0.7
215.07065	1.9
217.08665	4.1
219.02971	1.4
227.03452	0.9
229.08694	1.8
231.10367	0.7
257.08191	2.0
266.05737	5.4
267.06458	1.5
271.04645	1.5
289.05618	2.5
293.04568	0.9
295.09732	7.0
296.09991	1.3
309.07684	0.7
319.09595	0.6
322.04742	2.0
335.09506	0.5
337.10669	1.2
338.11362	1.1
339.12335	7.3
353.08600	1.3
375.12064	0.6
393.13419	1.6
419.11386	3.6
420.11508	0.6
437.12613	0.8
449.14413	1.3
455.13583	0.7
463.10886	8.0
464.11041	0.6
611.17566	4.1
629.18811	1.4
803.24005	32.6
804.24347	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	803.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
59.01660	0.4
61.98832	1.6
67.01891	1.1
69.03484	0.4
71.01366	2.2
74.85888	0.4
78.95923	1.1
80.96481	0.4
83.04980	0.4
85.02943	7.8
87.00893	1.6
93.03448	6.2
94.03809	0.4
96.96986	1.4
98.19862	0.9
99.04530	0.4
107.05131	0.5
108.02153	1.8
109.02979	1.6
111.00912	0.4
111.04536	0.8
115.00374	0.5
121.02975	1.5
122.03755	0.9
123.00920	0.5
123.04539	0.4
124.01669	4.9
125.02469	2.3
126.03224	1.0
127.04040	2.5
133.02969	1.6
134.03723	4.1
135.04521	70.5
136.04805	2.9
137.02437	1.7
139.04060	0.6
150.03227	3.4
151.04002	9.7
155.03531	0.6
160.01663	0.6
161.02457	4.0
162.03192	0.7
171.03027	0.4
173.04524	3.8
178.02702	0.8
179.03494	14.7
180.04132	2.1
181.05077	0.4
187.04022	0.5
191.05605	100.0
192.05951	5.4
229.35057	0.5
242.05818	1.0
255.03040	0.7
271.02533	1.4
290.07965	1.1
294.05200	0.6
295.06046	0.6
300.02722	1.9
301.03336	0.9
306.07379	0.6
307.08212	6.7
308.08969	15.4
308.12561	0.8
309.09357	1.2
322.04767	0.6
323.07684	0.9
338.03519	0.6
339.12073	0.7
352.07980	30.4
353.08725	40.1
354.09073	3.9
419.11295	0.6
449.14584	1.0
463.10770	1.6
586.05438	0.5
611.16571	0.7
706.17157	2.2
707.17542	0.9
803.23505	4.5
804.23090	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	803.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.5
59.41082	0.4
64.09938	0.5
67.01899	1.3
69.43154	2.5
71.01379	1.7
85.02950	7.2
87.00886	2.2
93.03445	5.9
98.20663	0.7
107.05079	0.5
108.02162	2.1
109.02941	1.4
111.04526	1.8
115.00376	0.6
121.02950	2.1
122.03742	1.1
124.01657	4.8
125.02441	3.2
126.03191	0.8
127.04033	2.0
128.64565	0.5
133.02959	1.3
134.03745	4.2
135.04521	69.5
136.04944	2.0
137.02455	1.8
139.04062	0.5
150.03206	3.1
151.04012	7.6
153.01910	0.4
155.03477	0.4
160.01610	0.5
161.02448	3.9
162.03204	0.7
163.04013	0.8
164.06783	0.5
169.01430	0.8
171.03084	0.6
173.04529	4.3
174.03294	0.5
178.02702	1.3
179.03491	16.7
180.04201	2.4
191.05600	100.0
192.05942	4.1
193.06126	0.5
194.02182	0.6
229.01410	0.5
242.05783	1.0
267.06305	0.5
289.05597	0.5
290.07861	1.1
294.05234	0.8
295.06000	0.7
296.06403	0.5
306.07336	1.0
307.08252	6.1
308.08978	15.5
309.09378	1.2
322.04697	0.8
323.07678	0.7
338.03903	0.5
339.12259	0.8
352.07959	28.0
353.08713	38.5
354.09128	2.9
383.24823	0.5
419.11206	0.6
449.14450	0.5
463.10892	1.8
514.10858	0.5
611.17096	0.8
644.21381	0.6
706.16998	2.7
803.23590	5.1
804.24500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98819	5.0
65.44357	0.5
67.01875	1.6
67.44430	0.5
69.03433	1.0
69.41103	0.6
69.43734	4.4
71.01374	3.2
78.95908	1.8
79.95736	0.9
80.96513	2.2
81.03427	0.6
85.02943	6.8
87.00886	2.7
88.98797	1.2
89.02464	0.7
92.65935	0.6
93.03455	12.4
94.03742	0.7
96.96005	3.7
96.96927	1.0
97.02972	0.8
101.02457	0.9
107.01373	0.9
108.02160	1.9
109.02946	2.1
111.04510	2.7
113.02442	0.9
115.00334	1.0
119.05044	1.4
121.02959	2.0
122.03850	0.7
124.01704	2.8
125.02449	3.2
127.04002	1.5
133.02945	2.2
133.85074	0.5
134.03732	3.5
135.04523	40.0
136.04852	2.1
137.02408	2.5
150.03194	2.2
151.00386	2.9
151.03995	4.6
152.01022	0.6
153.01950	0.8
155.03468	1.6
157.05028	0.6
161.02472	3.8
161.06029	0.7
162.37442	0.6
163.00412	0.6
163.03998	1.0
165.05569	0.9
169.01404	2.3
171.03056	0.7
173.04527	13.0
174.04822	0.7
175.02505	0.6
175.03914	1.0
177.01990	0.6
178.02721	2.3
178.99844	1.8
179.03499	13.0
180.04163	1.5
184.59229	0.6
187.03996	0.6
190.93021	0.6
191.05605	100.0
192.05922	6.9
193.06056	1.7
195.10175	0.9
203.03479	0.5
209.11850	1.5
225.00716	0.8
225.07948	0.5
227.03551	0.9
240.04330	0.8
242.05637	1.0
243.02945	1.2
255.03053	3.6
271.02451	4.7
272.02890	0.7
277.05054	0.8
293.04434	0.8
294.05252	1.3
295.05911	2.2
300.02704	9.2
301.03439	10.2
302.03604	0.7
307.08270	2.9
308.09003	7.5
322.04694	1.0
338.04691	0.7
339.05011	1.1
352.07941	18.8
353.08725	32.8
354.09039	3.2
362.99423	0.5
447.09457	4.9
449.14505	5.1
463.10867	2.4
464.10440	0.8
487.11807	1.0
512.09503	0.7
514.10504	1.0
611.16705	1.2
629.18683	0.7
706.17328	6.1
785.33435	0.9
803.21564	10.2
803.34735	2.2
804.21594	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	803.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
59.90096	0.6
61.98848	0.7
67.01911	1.2
68.99818	0.9
69.03448	2.1
69.38687	2.6
69.39110	2.2
71.01389	5.1
73.02982	0.7
74.44958	0.5
81.03457	0.8
83.05035	0.7
85.02942	10.6
87.00874	3.8
89.02451	3.8
93.03461	10.7
95.01366	1.0
97.02980	1.0
101.02439	1.9
108.02169	1.9
109.02947	3.0
111.04520	3.5
113.02444	0.9
115.00354	1.3
119.03512	0.8
121.02964	1.8
123.00880	1.2
123.04521	1.8
124.01638	2.8
125.02443	1.7
126.03220	0.8
127.03997	2.1
133.02943	1.9
134.03682	2.7
135.04523	41.4
136.04881	1.3
137.02435	2.2
143.03458	0.6
147.04523	1.1
149.02434	1.3
149.06013	1.0
150.03236	1.3
151.03972	4.1
155.03491	4.6
159.04512	1.0
161.02403	2.7
161.04498	1.0
161.06053	0.8
163.07663	0.9
169.32985	0.6
171.03006	1.5
173.04552	7.1
178.02678	1.2
179.03487	10.6
179.05629	0.9
180.04106	1.1
191.05605	100.0
192.05937	6.6
193.06261	0.8
213.05609	0.8
219.03102	0.8
225.07698	1.0
241.04997	1.3
242.05850	1.8
255.03000	0.9
255.06512	1.0
257.08032	0.6
264.53604	0.6
269.08163	1.5
289.05847	0.8
293.04291	0.9
294.05219	0.9
300.02737	0.9
301.03760	0.9
307.08127	3.3
308.08975	9.0
322.04709	1.3
339.12329	1.7
352.07919	16.1
353.08722	25.9
354.09036	2.4
355.10269	1.9
387.12549	0.9
449.14346	1.2
454.48041	0.6
455.13535	1.1
463.10947	1.8
511.14752	0.8
514.10907	0.7
611.17126	1.4
629.18591	0.8
706.18005	1.8
743.23962	1.2
780.72845	0.7
803.23297	12.5
804.24310	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	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98516	0.2
67.55279	0.1
78.95922	0.2
79.95728	0.6
80.96521	1.0
90.27641	0.1
94.62093	0.1
100.07809	0.1
131.27740	0.1
207.10515	0.1
209.11819	0.1
225.00665	0.2
277.21869	0.3
689.58807	0.1
702.37347	0.1
785.38086	0.4
802.41516	0.1
803.38867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98539	0.2
78.95876	0.1
79.95741	0.2
80.96505	0.5
96.96018	0.2
159.71869	0.1
181.31213	0.1
209.11870	0.4
277.21786	0.3
301.40662	0.1
504.81989	0.1
803.39929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97483	0.1
61.98829	100.0
62.98534	0.2
62.99252	0.1
71.01408	0.1
71.16251	0.3
78.95918	0.4
79.95753	0.1
80.96513	0.5
98.19963	0.1
162.30116	0.1
171.10199	0.2
211.13425	0.4
212.13742	0.3
277.21695	0.8
278.22104	0.2
279.23291	0.6
289.18079	0.2
299.04913	0.1
459.29837	0.1
642.49414	0.1
802.54102	0.2
803.42529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.8
61.98828	79.6
63.96225	2.0
65.70875	0.7
68.99529	0.7
69.03433	1.8
69.23942	6.6
69.24360	1.8
71.01390	13.3
72.99300	0.9
73.02921	2.4
78.95890	3.9
78.98600	6.6
79.63650	0.9
79.95300	1.1
79.95736	20.8
80.96516	100.0
81.03428	1.5
83.01392	1.2
83.05013	1.5
85.02946	7.1
87.00845	3.4
88.98795	0.9
93.03445	1.9
94.33365	0.8
94.77758	0.7
94.98089	23.1
96.96015	9.2
96.96941	1.0
97.02906	3.3
99.00819	1.2
101.02424	3.9
102.88817	0.7
104.96275	0.7
106.98088	3.9
113.02414	1.3
119.04987	1.5
121.79668	0.8
122.97601	5.3
125.02431	5.4
127.03964	2.2
128.22504	0.8
134.97581	6.6
135.04439	2.8
136.99123	2.0
140.13844	1.0
148.99120	8.4
149.06024	1.1
150.06853	4.0
152.98592	7.3
163.07613	0.8
164.08223	0.8
164.97383	1.0
164.98625	16.7
168.71288	0.8
169.01337	1.6
171.10139	1.0
173.04486	1.0
179.10739	1.8
191.05595	20.1
192.05827	0.9
206.99661	4.0
209.11807	9.2
210.12035	1.8
211.13196	1.3
225.00731	27.3
226.00903	1.4
227.12682	1.1
241.00858	1.2
283.04623	0.9
351.07690	1.1
353.08942	1.1
408.79114	0.9
408.86111	0.9
507.33417	1.8
507.76636	1.0
541.19849	4.7
769.32397	1.2
801.35291	93.4
802.35675	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98544	0.1
74.69994	0.1
75.06364	0.1
78.95947	0.1
80.96528	0.1
91.41283	0.1
110.16242	0.1
120.10461	0.1
189.73677	0.1
193.64925	0.1
199.76018	0.1
228.91830	0.1
229.19569	0.1
309.44464	0.1
395.15826	0.1
423.86182	0.1
722.30682	0.1
753.02106	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	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98517	0.2
62.99269	0.1
69.42787	0.4
71.01403	0.1
78.95924	0.2
79.95703	0.1
80.96528	0.2
83.44154	0.1
86.00891	0.1
94.98150	0.1
98.20736	0.1
104.86983	0.1
117.03235	0.1
127.60332	0.1
131.09758	0.1
146.12808	0.1
152.98518	0.1
167.75224	0.1
191.05600	0.1
209.11926	0.1
211.13374	0.1
446.31302	0.1
687.50275	0.1
728.41791	0.1
783.15149	0.1
802.36749	0.1
802.50000	0.1
803.38586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59145	0.7
59.01368	2.1
61.41489	0.7
65.00293	0.7
67.01894	1.0
68.04611	0.7
69.03442	1.4
70.77275	1.7
71.01369	1.0
76.87848	0.7
81.03427	1.4
85.02948	13.3
87.00882	2.4
93.03442	5.8
95.01415	1.1
96.95995	0.9
97.02910	1.1
98.20083	0.8
104.09625	0.7
107.01394	1.5
109.02942	5.6
111.04488	1.5
121.02914	2.2
123.00847	1.0
123.04538	0.8
125.02469	3.8
127.03995	2.2
135.04510	4.1
143.02449	0.8
148.01709	1.0
151.00330	3.1
159.00893	1.7
159.04459	1.5
161.02417	2.7
163.03914	0.8
169.01349	3.7
173.04517	1.5
175.03970	0.9
176.01117	0.9
177.01924	3.3
178.99886	1.5
179.03482	1.6
187.04037	1.1
189.01958	1.4
191.05600	66.3
192.05885	2.4
192.55762	1.0
201.01968	1.4
202.99847	27.9
204.00203	1.2
205.01416	2.5
216.00554	1.1
217.01564	0.8
225.05348	1.0
227.03328	2.4
229.01274	4.1
243.02811	1.5
248.88484	0.7
250.04420	0.9
253.05016	1.2
255.02992	4.8
256.03751	1.2
267.03091	0.8
269.04825	0.8
270.01822	0.8
271.02460	6.0
275.01920	2.5
283.02563	4.5
284.03119	2.2
295.02606	1.4
297.03931	1.8
299.01645	1.1
300.02786	7.8
300.99878	5.5
301.03424	5.7
302.00018	0.9
309.03864	1.0
311.01898	1.2
312.02734	4.2
313.03418	9.3
314.03537	0.9
323.01901	1.3
324.02695	1.2
325.03409	2.6
326.04111	2.2
327.05057	3.1
341.02838	1.4
352.02036	1.6
353.03070	2.0
353.08643	1.8
367.03540	0.8
417.10025	1.9
420.04568	2.1
421.05588	3.2
433.05432	1.0
435.11057	1.2
447.09238	7.8
448.09680	2.1
462.05902	27.9
463.06577	19.0
464.07236	2.4
609.12396	100.0
610.12781	16.8
801.19482	2.5
806.96088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.11099	0.2
69.89343	0.2
70.65496	0.2
71.01386	0.3
71.53577	0.4
78.95906	0.7
79.95755	0.8
80.96509	2.1
94.98107	0.7
111.50871	0.2
116.92837	0.4
128.56337	0.3
133.31760	0.2
164.98590	0.3
191.05533	0.5
209.11902	0.4
225.00851	0.7
309.21008	0.3
800.39465	2.2
801.39252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.1
61.84549	0.1
61.98830	100.0
68.22259	0.1
70.01019	0.5
87.70092	0.1
163.26250	0.1
204.99141	0.1
207.10371	0.1
211.13423	0.2
213.43082	0.1
239.12878	0.2
293.21130	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	801.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.4
59.01374	2.3
59.71274	0.4
60.99320	0.7
61.63363	0.4
67.01888	1.4
69.03436	0.5
69.37978	4.0
71.01368	2.4
72.09294	0.5
81.03432	0.9
83.05040	1.1
85.02948	9.2
87.00878	4.2
90.01915	0.5
93.03450	14.0
94.03835	0.6
97.77148	0.5
101.02464	0.6
107.01418	1.2
107.05018	0.5
109.02205	0.4
109.02960	1.7
111.04550	2.4
115.00358	1.4
121.02908	0.7
125.02409	1.3
127.04008	2.4
133.02962	1.5
134.03709	1.6
135.03500	1.2
135.04524	20.7
136.04872	1.0
148.05354	0.8
151.00372	2.8
155.03525	1.1
159.04480	0.9
161.02446	3.8
163.00351	1.1
169.01408	1.5
171.03055	0.5
173.04564	8.1
173.06036	0.9
174.04819	0.6
178.99893	1.4
179.03487	19.4
183.02866	0.7
185.06085	0.6
191.05597	100.0
192.05943	4.3
215.07100	0.7
219.03012	0.6
227.03484	0.6
227.07193	0.7
229.01469	2.3
233.11818	0.5
239.03355	0.5
240.04173	1.5
243.02950	1.2
255.02995	4.7
255.06570	1.8
265.05103	0.6
271.02402	7.2
271.04977	0.6
272.02835	1.3
273.07996	0.5
285.04010	0.6
289.05554	1.5
289.08636	0.5
300.02728	14.6
301.03488	10.5
302.03870	0.5
322.43896	0.5
341.02927	1.4
351.07037	0.6
353.08728	32.5
354.08966	2.8
387.29468	0.5
391.11658	0.9
407.92099	0.6
417.09750	1.2
435.10739	2.3
447.09274	25.9
448.09518	3.2
463.10904	12.8
464.10925	1.0
487.08673	1.3
527.20892	0.7
591.15479	0.7
609.16229	7.8
610.16425	1.1
631.09570	0.9
710.27399	0.5
710.41125	0.7
801.32739	6.5
802.32599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05260	2.7
59.01373	9.0
61.98828	77.0
66.94028	2.6
71.01383	5.4
71.57605	3.3
78.95882	3.9
79.07986	3.0
83.05033	3.3
89.02415	3.6
96.62553	2.9
97.73119	2.7
101.02435	5.4
101.34641	3.2
113.02442	3.1
135.51956	2.7
163.11252	5.0
191.05557	3.9
195.13841	8.6
199.13435	3.6
209.11813	100.0
210.12141	11.7
211.13339	9.9
221.11774	3.6
223.13406	7.9
227.12863	11.8
229.48114	3.6
235.08200	3.7
239.12926	5.8
241.14532	8.2
253.09264	26.5
275.20163	8.0
291.19638	4.1
293.21225	86.1
294.21603	7.5
341.23236	5.2
464.55759	3.4
485.32394	3.1
682.08081	3.5
789.28436	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	800.392
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25680	0.1
61.98828	100.0
62.98541	0.2
62.99253	0.1
71.01428	0.1
78.95908	0.2
79.95715	0.1
93.03473	0.2
95.08015	0.1
96.95999	0.5
96.96965	0.2
117.55383	0.1
125.02481	0.1
135.04460	0.1
136.18616	0.1
169.01561	0.1
191.05557	0.5
209.11937	0.2
211.13499	0.1
311.05502	0.1
320.64764	0.1
356.94116	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4192
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01367	2.5
61.98829	53.5
69.34536	1.2
69.42386	1.1
71.01357	8.9
72.99290	3.3
75.00868	65.5
78.95900	44.6
78.96265	0.8
78.96375	1.1
78.98589	4.0
79.95721	8.2
80.96516	51.5
81.03464	1.3
83.05019	2.7
85.02927	2.1
87.00859	1.2
89.02426	1.7
94.98077	12.7
96.88854	1.1
96.96964	10.4
101.02425	2.7
103.30523	1.2
106.98116	1.8
113.02377	1.1
117.03445	3.3
122.97566	2.5
125.02402	1.5
127.11256	2.9
133.32379	1.1
134.97572	4.8
136.99149	1.1
145.02934	9.6
146.03218	2.3
148.99115	5.0
152.98569	2.6
152.99576	10.5
161.97565	1.4
163.11284	1.8
164.98602	8.0
165.12718	1.5
171.10211	3.1
185.98686	1.1
191.05600	3.0
201.11317	30.3
202.11572	2.0
206.99677	2.2
209.09909	2.3
209.11813	35.6
210.12129	2.0
223.00075	2.6
225.00710	15.0
227.12926	2.7
241.01189	20.4
255.23286	23.0
256.23605	2.1
259.02261	1.9
277.21719	4.8
299.98831	1.3
364.14291	1.4
525.16302	1.4
617.38342	7.0
618.38916	3.6
619.38696	6.8
781.40540	18.8
782.41125	4.5
799.42017	100.0
800.42365	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.0
61.98829	52.0
63.96227	1.4
64.46793	1.1
69.20579	9.1
71.01389	6.7
72.99295	3.3
73.02930	1.8
75.00871	36.8
78.95904	49.9
78.98582	4.8
79.95736	10.7
80.50533	1.0
80.96516	61.5
83.04990	2.5
85.02943	3.0
87.00858	2.3
89.02441	2.7
94.98080	12.9
96.96968	10.5
97.02988	1.2
101.02426	3.9
106.98044	1.8
116.81084	1.1
117.03448	2.4
122.97556	2.7
124.82153	1.1
125.02479	2.2
125.09708	2.6
127.11285	3.4
134.97552	3.5
135.08133	1.2
136.99132	1.6
145.02927	8.1
146.03275	1.7
148.99120	5.9
152.98573	2.6
152.99574	10.7
164.98624	8.8
165.09171	1.6
165.12791	1.2
171.10229	1.9
191.05626	6.6
201.11310	33.0
201.82487	1.1
202.11638	2.3
202.52414	1.2
206.99681	3.4
209.09903	1.9
209.11826	34.4
210.12148	1.7
223.00177	2.1
225.00752	16.2
227.12753	1.9
241.01205	21.2
255.23257	23.6
256.23621	2.8
277.21713	3.8
409.23581	1.4
426.25089	1.3
482.04553	1.1
525.16364	2.0
537.27588	1.1
617.38391	6.1
618.38513	4.6
619.39063	4.1
619.49109	1.2
709.38538	2.4
781.40527	24.6
782.40845	5.8
799.42047	100.0
800.42303	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	799.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	35.8
59.94866	0.7
65.10149	0.7
71.01377	0.9
85.02966	1.1
87.00888	1.5
89.27219	0.6
90.08509	0.7
91.01892	11.3
93.03459	25.4
94.03825	0.7
95.01379	1.0
98.20670	1.4
107.05022	1.2
113.02473	0.9
119.01407	4.4
121.02961	11.7
123.00832	0.8
125.02452	2.2
133.02904	1.3
136.01610	1.1
136.02803	0.5
137.02441	42.0
138.02818	2.1
143.03424	0.8
151.04004	100.0
152.04343	5.4
153.53610	0.6
161.02423	1.2
163.03893	0.7
169.01414	3.2
179.03439	1.5
189.01999	0.6
191.05606	10.2
206.17642	0.6
217.01372	1.2
231.02948	0.8
247.02481	0.7
263.05679	1.9
275.01807	1.2
281.06674	17.6
282.06946	1.2
300.99908	2.3
302.00000	0.9
323.07639	7.0
352.22113	0.7
381.56885	0.7
390.50983	0.8
461.05420	0.9
607.11163	2.5
799.31409	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	799.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.3
61.98823	8.4
63.96220	2.4
69.03471	0.9
70.58607	2.1
71.01379	9.3
72.99244	0.7
73.02938	1.9
78.95911	4.5
78.98589	8.4
79.95734	20.8
80.96515	100.0
81.03460	0.9
82.96105	5.5
82.96894	0.9
85.02949	3.8
86.19604	0.7
87.00887	3.7
94.98082	20.2
95.01384	0.8
96.95979	1.9
96.97012	0.7
96.97639	1.0
97.02946	2.8
97.30481	0.7
101.02433	3.1
106.98055	3.9
113.02476	0.7
118.25088	0.7
122.97569	4.0
125.02459	4.1
127.04008	1.3
134.97572	7.3
136.99135	2.2
139.90466	0.8
144.94052	0.7
148.99136	9.3
152.98599	7.8
152.99551	0.9
164.98604	16.5
171.10281	1.7
206.99675	3.1
211.13358	6.5
225.00719	28.2
226.00992	2.1
227.00475	0.8
227.12773	1.0
241.01097	1.6
255.23312	3.8
256.23474	0.9
277.21765	6.8
341.89719	0.8
363.66388	0.9
384.76373	0.8
453.14413	2.3
454.64764	0.9
537.27264	2.3
709.38373	44.6
710.38641	9.8
735.39990	1.8
763.40369	1.0
781.40527	19.5
782.40723	4.8
798.42657	1.0
799.42023	44.4
800.41638	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	799.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.8
65.00310	1.8
67.01890	1.9
69.20774	4.3
69.21176	11.8
71.01383	1.9
83.72299	1.6
85.02940	5.4
85.06953	1.6
85.84589	1.6
87.00867	4.8
90.78217	1.5
92.55431	1.7
93.03453	12.5
97.92513	1.7
109.02939	3.7
111.04504	3.5
121.02934	4.4
125.02387	2.4
129.73766	1.8
133.02925	7.1
139.03986	1.7
149.02293	3.1
151.00333	2.1
155.03447	2.6
163.03992	2.5
169.01410	1.6
171.04559	2.1
173.04562	6.5
177.01947	4.1
185.89626	1.8
191.05586	42.8
201.02151	2.0
214.02670	1.8
215.05623	2.1
225.01924	6.5
227.03462	3.2
237.78488	1.8
243.02899	5.0
255.02988	3.7
267.02933	2.0
267.09488	1.8
269.00885	39.8
270.01315	3.6
271.02570	1.9
279.23965	1.7
279.36557	1.9
281.00879	4.8
282.01730	4.3
283.02496	9.6
284.03055	3.0
285.04117	2.5
293.04022	1.6
300.02704	4.7
310.01160	4.3
311.01926	19.1
317.04453	4.8
329.04138	2.3
339.01239	3.4
345.03998	6.6
351.07077	6.3
353.02966	2.4
359.05136	1.8
361.03528	8.1
362.04196	2.7
363.05017	7.1
373.03488	34.2
374.03934	6.3
375.04935	2.2
389.02850	16.2
390.03586	9.9
391.04520	10.2
418.03293	64.8
419.04028	100.0
420.04410	9.8
433.04990	2.8
434.06363	3.3
447.09293	7.2
460.04391	5.5
461.04846	10.1
478.05658	3.2
479.06073	7.2
565.09802	71.2
566.10229	8.7
581.12811	2.3
607.10815	44.3
607.21301	3.0
607.24585	2.4
608.11340	9.4
625.11945	80.1
626.12457	14.1
653.11353	4.8
654.11499	2.1
740.69928	1.8
794.58057	1.9
799.17352	35.8
799.31519	3.8
800.17719	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	797.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72151	0.6
61.98827	100.0
71.53602	0.6
71.64400	0.5
78.95918	0.9
88.98796	0.7
96.96008	0.6
96.96963	0.8
111.08158	1.1
121.03043	0.5
135.12253	0.6
150.47426	0.5
169.01414	0.6
169.12299	0.7
175.04205	0.5
191.05605	2.3
197.11821	6.9
209.11897	0.7
209.15533	0.7
211.13414	1.5
222.12048	0.7
263.20444	0.7
291.19772	1.5
309.20694	11.2
310.20963	1.3
334.43198	0.5
487.34268	3.2
488.34512	1.1
553.26379	0.7
554.27356	0.8
797.42499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89305	1.6
59.01362	2.1
61.98832	11.7
71.53549	2.4
81.23302	1.6
85.02969	2.4
86.29340	1.6
96.96040	2.5
97.06581	1.7
111.08150	14.7
124.75284	1.8
138.17761	1.6
151.11292	1.8
166.35814	1.7
169.01399	4.4
169.12254	3.1
191.05600	7.4
197.11816	69.6
198.12263	4.0
199.13168	2.9
205.59581	1.8
209.11797	6.5
211.13358	5.7
259.72684	1.8
263.20178	2.6
265.18024	1.7
288.02087	1.8
291.19611	11.5
309.20682	100.0
310.21088	9.7
401.75815	1.9
416.64761	2.0
469.32986	12.4
487.34274	73.4
488.34732	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	798.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98519	0.1
70.62973	0.3
71.01385	0.2
72.43954	0.1
78.95947	0.2
79.95731	0.1
85.02973	0.2
87.00877	0.1
88.98808	0.3
94.98096	0.2
101.02494	0.1
118.70687	0.1
133.02914	0.1
161.02432	0.2
168.40274	0.1
170.57722	0.1
172.83817	0.1
176.04839	0.2
191.05676	0.2
199.23425	0.1
209.11812	0.1
245.69887	0.1
262.15265	0.1
283.13474	0.1
301.14575	0.1
323.07712	0.2
473.29285	0.1
473.36047	0.1
474.29999	0.1
615.78143	0.1
798.39191	0.2
799.37457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98527	0.2
62.99272	0.1
63.49665	0.1
78.95911	0.2
80.96525	0.4
96.96030	0.1
110.23119	0.1
157.80644	0.1
191.05649	0.3
201.99051	0.1
206.99466	0.1
211.26862	0.1
226.76108	0.1
229.01802	0.1
291.19839	0.1
293.21008	0.1
456.76877	0.1
461.32993	0.1
586.26068	0.1
799.39355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.93941	0.2
69.94337	0.3
76.62244	0.2
92.35830	0.1
129.10910	0.1
156.69684	0.1
197.68869	0.1
200.52025	0.1
321.41583	0.1
388.01883	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06049	1.0
59.01357	3.2
61.98822	1.7
63.46679	1.2
67.01891	1.6
69.25961	10.6
71.01376	1.7
80.13728	1.2
83.46272	1.1
85.02947	13.9
87.00879	3.5
93.03465	9.4
95.01361	2.6
97.02947	1.5
109.02940	3.9
111.04504	2.9
114.71049	1.3
121.02171	1.3
121.02933	6.7
123.00900	3.2
125.02421	7.9
127.03988	3.5
133.02991	1.5
137.02423	4.1
148.01654	3.9
149.02441	1.8
151.00345	3.6
161.02367	1.7
163.03986	1.8
165.01973	8.3
167.04933	1.4
169.01414	6.8
170.01703	2.4
171.04468	1.7
173.04623	1.5
175.00287	1.3
181.05087	1.5
191.03741	2.9
191.05594	61.1
195.04535	2.5
197.04559	2.5
199.03915	1.7
201.01910	2.8
211.03929	4.5
211.05939	1.3
217.01408	1.6
223.03979	17.1
224.04698	2.4
229.01411	2.2
231.02887	2.1
235.03937	2.4
238.02611	1.4
239.03485	14.9
240.04085	2.2
241.04849	1.6
243.02879	1.8
247.02255	2.0
249.04071	1.7
250.02664	1.4
251.03409	2.7
252.04050	1.7
266.02142	6.7
267.02948	34.2
268.03378	2.5
273.00177	1.9
275.01962	3.0
279.02902	6.9
280.03751	4.2
281.04410	2.0
295.02420	7.0
300.99930	10.5
308.61920	1.6
311.01907	2.9
315.06653	2.1
331.05856	1.4
342.05093	1.6
343.05984	3.7
344.06702	2.0
349.05609	5.7
359.05588	4.8
371.05350	4.6
387.05081	5.0
388.05713	3.9
416.05319	52.0
417.06046	42.7
418.06323	5.0
434.06082	3.1
435.06961	2.1
457.97321	1.3
460.03937	2.3
461.04947	4.4
563.11877	100.0
564.12195	14.6
581.13055	7.2
607.10748	20.5
608.11243	2.9
629.10693	2.4
653.11597	3.2
799.17004	28.5
800.18073	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	797.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
69.03443	3.6
71.01376	2.5
71.52913	1.0
72.31815	0.5
73.02931	0.6
85.02956	7.1
87.00879	2.1
89.02421	1.5
93.03462	3.3
95.05043	2.7
101.02448	1.8
111.04521	0.9
113.02410	0.9
119.03516	0.7
121.06592	1.2
125.02432	0.9
127.03976	1.2
131.78664	0.5
133.02922	1.2
135.04529	1.7
139.04028	1.6
147.08119	0.8
161.02428	3.0
169.01476	1.2
171.02936	0.6
173.04526	1.1
191.05606	100.0
192.05913	4.2
217.10004	0.5
301.00055	0.7
304.79019	0.5
329.25446	0.7
353.08780	20.9
354.09113	1.8
389.10706	1.3
407.15402	0.9
443.11856	16.2
444.12390	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	797.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01378	1.0
61.98841	0.7
68.43084	0.4
69.80386	2.2
79.60889	0.4
83.52935	0.4
93.03436	0.6
97.02946	0.6
97.65391	0.5
107.59626	0.4
109.06626	0.7
123.08103	0.4
125.06066	0.5
125.09729	0.9
126.54574	0.4
137.09641	0.5
141.12894	0.7
142.98347	0.4
151.04048	0.4
151.07646	1.3
152.08458	0.6
162.10428	0.5
163.11250	2.1
165.09222	0.5
165.12839	5.1
167.98541	0.4
171.10245	0.7
175.54384	0.4
179.14401	1.7
181.12346	1.5
182.12993	0.5
185.88266	0.4
191.05577	2.2
193.15892	2.2
197.11824	1.3
207.10106	0.6
209.11790	1.3
209.15401	1.9
221.11723	0.4
223.13330	2.6
247.20702	4.6
273.18561	1.6
291.19647	49.6
292.19943	4.7
309.20682	100.0
310.21063	10.9
310.58951	0.4
465.74936	0.5
487.34262	16.4
488.34647	2.7
501.18515	0.4
553.26648	0.9
553.76910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	0.2
61.98827	100.0
62.98533	0.3
75.00877	0.4
78.95930	0.1
88.98803	1.3
89.02420	0.1
92.05505	0.2
93.03464	0.3
96.26102	0.1
96.96026	0.2
106.81464	0.1
109.02982	0.2
114.47430	0.1
124.64038	0.1
125.02518	0.1
133.02939	0.1
135.04504	0.2
161.02461	0.5
162.02786	0.2
164.10196	0.1
171.10304	0.1
173.04541	0.3
180.94780	0.1
191.05579	1.2
191.06868	0.1
207.63344	0.2
209.11862	0.1
229.08577	0.1
323.07858	0.4
324.08081	0.2
355.51633	0.2
471.35129	0.3
472.35245	0.4
487.34421	0.1
581.74298	0.1
741.13000	0.1
756.80066	0.1
796.44757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.0
59.01381	13.2
61.98828	91.3
63.99266	1.0
69.03429	1.3
71.01382	4.7
71.51861	1.2
71.52267	1.3
72.12498	1.0
72.99285	3.4
75.00870	14.1
78.95901	59.0
78.98585	2.3
79.95730	10.8
80.02698	1.6
80.96512	36.6
81.03452	4.6
83.01381	6.3
83.05010	6.9
84.02171	2.6
85.02955	2.6
87.00841	1.6
94.98083	8.0
95.05029	2.0
96.95986	1.4
96.96941	6.2
97.02951	1.3
97.06587	1.4
104.03473	1.0
106.98072	2.5
109.06572	2.8
112.02021	1.1
122.97578	2.4
122.98495	1.4
125.00086	4.0
125.02452	1.5
125.09702	4.6
134.97578	2.4
134.98511	1.4
135.08183	3.2
136.99045	1.2
147.11775	1.3
148.99089	2.9
152.98564	2.6
152.99582	10.9
163.11269	7.4
164.11630	1.0
164.98633	6.3
165.12807	3.3
168.04340	8.4
171.10300	2.6
181.12381	1.9
188.43262	1.2
191.10805	8.1
197.11763	2.3
197.58310	1.0
199.09703	2.2
206.99677	1.7
207.10239	3.8
209.11812	75.2
210.12117	4.7
223.13414	9.9
224.06932	3.9
225.00758	10.7
225.11282	3.7
226.12100	6.7
227.12866	8.7
241.01198	10.4
241.14444	59.8
242.14778	4.4
255.23282	100.0
256.23575	7.4
277.21671	1.6
295.73138	1.2
350.50934	1.3
391.22061	1.4
419.25717	3.1
436.57889	1.1
480.30869	6.7
523.15472	1.6
619.36273	6.7
620.36707	1.5
645.37665	4.4
646.38538	1.8
690.43231	6.6
691.43701	1.9
704.44995	51.0
705.45355	11.7
722.46027	35.2
723.46686	7.4
779.39111	23.6
796.40869	7.9
797.40332	38.2
810.58472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01378	23.8
61.98824	29.6
71.01394	7.0
71.52094	1.9
73.02959	1.2
75.00871	2.1
78.95898	18.4
78.98566	3.0
79.95743	4.9
80.96513	30.1
81.03442	2.9
83.05028	10.4
85.02951	10.5
87.00851	3.5
89.02422	3.5
94.98048	6.1
96.96027	2.9
96.96954	2.1
97.02939	3.7
101.02422	4.9
109.06586	4.5
113.02460	1.6
123.04494	1.6
125.02417	1.4
130.81224	1.4
134.97572	2.1
136.99158	1.4
142.02661	1.5
148.99107	1.9
149.09656	1.8
152.98541	2.7
152.99634	1.8
161.04506	1.6
164.98596	3.4
171.10233	5.8
175.11092	1.6
177.12866	8.9
195.13910	2.1
197.11800	6.4
209.11754	5.4
221.11818	97.3
222.12189	6.5
223.13443	3.1
225.00656	8.0
235.08144	3.7
239.12878	43.2
240.13199	3.6
241.01096	3.3
241.10687	3.7
241.14465	3.2
253.09311	11.7
255.23340	8.2
277.21707	100.0
278.21988	10.6
324.93222	1.2
457.20776	3.5
475.21768	10.7
704.44507	3.8
722.46350	1.9
735.43219	14.0
736.43475	3.4
777.37415	1.6
795.41370	36.0
796.41211	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	795.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	1.4
59.54240	0.6
60.99277	2.4
61.98827	35.8
71.01352	2.6
71.52570	0.8
72.99278	1.0
73.72150	0.6
78.95869	1.2
79.95670	0.7
80.96474	1.0
85.02928	1.7
87.00877	1.2
88.98801	11.1
93.03449	3.8
113.02404	1.0
116.92811	1.4
125.02381	0.7
133.02957	17.6
134.03578	0.6
135.03653	0.9
135.04524	12.1
136.04863	0.8
145.02980	1.2
161.02432	87.1
162.02792	3.5
169.01315	1.0
173.04474	2.5
175.03979	1.4
176.04651	1.5
179.03474	10.7
191.04021	1.1
191.05605	15.0
192.05904	1.1
195.06610	0.9
203.03421	2.5
207.02589	0.7
211.13289	0.8
223.13280	1.2
233.04413	0.9
261.67322	0.8
301.14560	1.2
302.72852	0.7
323.07697	88.7
324.08051	8.9
347.00223	0.7
471.34769	100.0
472.35129	18.1
633.38696	0.9
642.79095	0.8
795.43378	28.6
796.43530	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	795.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	18.4
61.98825	0.9
68.57870	0.2
69.56239	0.2
69.59867	0.7
69.60277	0.9
71.01376	0.3
71.62207	0.3
87.00889	0.4
88.00402	0.9
88.98801	100.0
89.02438	3.2
89.99117	1.5
110.24599	0.2
111.72157	0.3
114.00908	0.3
123.12451	0.3
153.60672	0.3
161.38176	0.2
169.01369	0.2
191.05617	1.1
209.11778	1.6
227.12744	0.3
289.18323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19319	0.3
57.60891	0.3
59.01392	0.4
60.99298	0.4
61.98826	3.3
71.01398	1.3
85.02961	0.8
87.00867	0.4
87.02411	0.3
88.98813	2.2
89.80158	0.3
93.81013	0.3
95.20432	0.3
101.02419	0.6
104.10931	0.3
104.73228	0.3
105.01954	0.4
109.02943	0.5
109.30104	0.3
113.02477	0.8
125.02398	0.4
132.02194	1.1
133.02953	23.1
134.03506	1.1
135.04524	12.0
135.05531	0.8
137.02432	0.8
145.03006	0.5
161.02434	100.0
162.02785	4.5
162.46011	0.3
167.75465	0.4
168.97200	0.4
175.04008	1.4
178.02695	0.4
179.03487	10.7
191.05634	1.2
192.05865	0.5
203.03452	2.5
219.06615	0.4
221.04445	0.4
308.21027	0.4
323.07693	85.5
324.08035	6.2
393.32010	0.6
415.71725	0.5
471.34753	54.9
472.35049	9.1
578.10614	0.4
633.38159	0.6
795.43195	24.2
796.43640	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	795.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52346	0.9
59.01377	2.5
60.99293	3.0
61.98829	74.7
67.42693	0.9
68.01067	0.9
71.01379	3.0
72.50559	0.9
72.99303	2.4
78.95903	1.9
80.96514	2.4
85.02941	3.7
87.00847	2.0
88.98807	16.5
93.03451	4.7
96.95978	1.8
109.02934	1.3
113.02413	1.8
116.92857	2.5
117.03463	1.2
133.02954	22.4
134.03625	1.1
135.04535	14.8
136.89156	3.3
137.02457	2.3
145.02937	2.2
150.03082	1.1
150.39726	1.1
158.73386	0.9
161.02440	86.1
162.02821	5.8
173.04527	3.2
175.03981	1.5
179.03481	11.6
191.05600	19.9
192.05936	2.3
203.03465	2.8
209.11815	1.8
277.48944	1.0
283.13464	1.2
323.07703	87.1
324.07941	6.0
352.55991	1.0
413.67120	1.1
471.34778	100.0
472.35123	14.6
633.38025	1.7
795.43488	24.2
796.43878	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	794.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96948	0.2
56.61110	0.2
61.98826	100.0
71.01378	0.6
71.28255	0.2
78.95897	1.7
78.98588	0.5
79.95737	1.3
80.96508	7.1
85.02975	0.3
94.98083	1.3
94.98624	0.2
106.98079	0.3
111.35406	0.2
125.02445	0.4
134.97603	0.6
148.99132	0.4
152.98546	0.4
152.99609	1.0
164.98599	1.1
171.10283	0.5
174.18094	0.2
211.13515	0.3
225.00711	1.5
255.23228	0.4
329.23251	0.4
330.23755	0.4
557.27191	0.5
558.27716	0.8
794.51349	1.5
795.41827	8.6
795.55664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.3
61.98826	10.8
68.46983	1.9
71.01376	25.6
71.52493	3.2
72.28676	1.7
75.00863	2.2
78.95884	2.3
87.00878	2.2
89.02435	4.7
96.96961	1.7
97.02941	2.2
101.02434	7.1
109.06599	4.6
113.35258	1.6
113.42048	1.6
114.37138	1.8
118.67030	1.7
125.09767	2.0
138.19644	1.7
140.42751	1.9
161.04555	1.8
163.11330	2.8
171.10263	31.7
172.10602	2.6
181.08742	3.0
181.12366	2.4
191.05626	2.5
199.09726	23.1
199.13429	4.9
201.09607	2.2
201.11324	27.3
207.10284	18.5
223.09813	2.0
223.13385	4.7
225.11279	29.5
235.08246	8.4
243.12265	4.5
253.09248	15.9
277.21695	100.0
278.22070	10.1
291.19620	4.6
332.15253	2.1
435.18637	2.5
443.19333	3.1
461.20096	4.9
676.68805	1.9
695.39807	5.7
721.41565	9.5
722.41052	2.3
737.40179	2.2
739.43097	5.6
757.43732	7.4
758.44537	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	793.4412
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01390	0.8
63.96254	1.9
69.03463	0.8
70.85068	1.4
71.01381	10.8
73.02934	3.1
78.95878	1.0
78.98191	0.9
78.98594	7.5
79.95282	1.3
79.95737	19.5
80.96517	86.5
81.03441	0.8
81.96469	1.1
82.96091	1.3
83.01371	1.4
85.02968	3.4
87.00878	3.5
94.87746	0.7
94.97482	1.3
94.98090	21.7
96.96008	1.3
97.02946	1.6
101.02429	3.2
106.98082	4.8
122.97581	5.0
124.06350	0.7
125.02422	3.4
128.82063	0.7
134.13751	0.7
134.97586	6.5
136.99124	1.5
148.99117	6.8
152.98648	7.6
164.98608	17.1
206.99638	3.4
209.11819	2.1
225.00740	25.6
226.01031	0.9
283.05142	0.9
283.26440	1.3
471.34598	0.7
509.16852	2.9
565.29791	0.9
748.41498	1.0
793.43994	100.0
794.44427	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	793.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
61.98816	6.4
71.01384	5.6
73.02995	1.7
78.95897	6.1
79.95738	1.3
82.68000	1.3
83.05015	1.4
89.02457	3.8
93.03437	1.6
97.02963	2.5
101.02440	4.4
109.06581	2.3
113.02410	1.6
151.68195	1.3
152.99554	2.7
161.04529	1.8
163.11305	2.2
169.12325	1.9
171.10265	100.0
172.10600	4.4
185.11847	2.1
189.09244	1.7
191.05608	5.2
197.11874	2.0
201.11298	3.2
207.10260	11.8
223.09647	2.2
225.11298	49.3
226.11664	3.2
235.08247	4.5
253.09213	10.0
277.04419	1.4
277.21701	75.8
278.22006	6.6
293.21097	2.0
360.93152	1.7
393.22964	1.5
407.19263	10.1
424.90475	1.5
443.19315	5.7
461.20276	20.3
462.20486	1.6
513.31073	1.8
721.41742	10.7
722.42377	2.2
775.41095	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	793.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.2
61.29435	1.5
61.98825	12.0
70.92914	3.4
71.01377	18.8
78.95917	2.5
85.02918	2.1
87.00838	2.1
89.02445	4.4
93.52642	1.8
93.60567	1.6
97.02937	2.3
99.00865	2.1
101.02429	5.1
105.05243	1.5
106.58385	1.7
109.06587	3.1
113.02438	2.1
116.92786	1.6
120.78174	1.5
127.11267	2.1
131.65869	1.6
135.08156	1.8
155.10817	2.1
159.30237	1.6
161.04536	3.6
163.11259	4.9
171.10262	29.1
172.10605	3.2
181.12270	3.4
187.00531	1.5
189.15797	1.5
191.05539	3.9
197.11873	1.9
198.47513	2.2
199.09760	18.1
199.13252	3.3
201.11304	23.7
207.10255	15.6
215.12738	1.8
223.13380	6.7
225.03346	1.7
225.11307	26.6
235.08208	10.2
243.12320	3.9
253.09210	15.9
277.21698	100.0
278.22012	9.8
291.19598	5.6
311.16931	3.2
343.63657	1.5
357.63287	2.0
435.18723	5.3
443.18893	2.2
443.42471	1.7
461.20074	4.3
475.19522	1.7
695.39783	4.0
721.41193	7.1
739.43219	3.6
757.43457	6.6
758.44727	2.7
794.96741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.0
62.44308	0.1
62.58372	0.1
71.01392	0.2
71.41291	0.2
71.41618	0.1
73.02943	3.9
74.03290	0.2
75.00876	0.2
78.95882	0.2
80.96498	0.1
99.00874	0.8
99.92580	11.7
100.92593	0.7
114.93428	0.4
116.92857	100.0
116.97188	0.7
117.01934	6.7
117.05554	0.2
117.92870	5.7
138.11928	0.1
178.39487	0.1
185.77545	0.1
191.05608	0.3
207.10289	0.2
328.73145	0.1
398.69498	0.2
415.15158	0.1
423.40756	0.1
605.79150	0.2
755.40698	0.2
803.00012	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37620	0.2
59.01382	0.4
60.99303	17.6
61.98820	1.6
70.73395	0.3
70.73737	0.5
71.01363	0.3
80.96522	0.4
87.00873	0.6
88.00379	1.2
88.98801	100.0
89.02441	4.6
89.99124	1.3
93.03471	0.5
99.92561	0.7
116.92860	6.2
117.92847	0.5
149.02353	0.3
161.02431	0.2
169.01392	0.2
180.17300	0.2
191.05618	2.6
209.11835	0.7
245.49437	0.3
370.62088	0.2
376.22433	0.3
395.95840	0.2
602.72498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03548	0.5
60.49216	0.5
61.98831	5.5
71.05021	0.7
78.95910	0.6
80.10677	0.5
80.96482	0.8
101.02444	0.5
116.92876	0.7
117.71960	0.6
191.05562	0.9
193.70549	0.6
197.11801	1.6
201.11380	0.7
209.11852	7.2
210.12256	1.5
211.13316	0.6
227.12935	1.3
233.21111	0.6
241.62312	0.5
253.09251	0.9
291.19800	0.9
293.21362	0.6
309.20679	2.8
310.20975	1.3
395.55566	0.6
407.33112	1.1
421.31094	1.0
423.32791	2.0
425.34235	1.0
427.32077	1.1
469.33176	17.4
470.34000	3.1
486.32855	0.7
487.34262	100.0
488.34613	17.6
605.02740	0.6
766.39679	0.6
792.39941	1.5
793.39294	1.5
793.52789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01375	3.8
61.98829	51.2
63.25433	2.7
71.01357	5.3
71.52325	3.4
78.95898	10.9
80.96505	4.5
93.03453	3.7
96.96004	11.4
99.92586	5.9
116.92857	42.5
117.92918	3.7
125.09692	6.7
135.08159	17.5
154.67433	3.3
169.01421	3.9
171.10295	4.4
185.11809	24.9
189.12886	2.7
191.05583	11.0
195.60449	2.6
197.11873	4.1
198.39345	2.9
207.10287	5.9
209.11848	26.2
210.12213	3.9
217.35611	3.4
225.11316	3.3
227.12866	6.9
243.17545	9.5
253.09198	4.9
287.16528	28.1
289.18137	6.0
293.21295	6.7
302.39688	3.0
305.17563	100.0
306.17761	6.8
307.19135	5.8
310.41620	3.0
380.41885	3.0
455.31686	11.7
485.32504	13.0
655.18036	3.4
785.84656	3.1
791.38507	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	792.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.4
61.98830	100.0
67.01868	1.5
68.99810	2.7
69.03453	20.4
69.17159	1.3
69.44318	11.5
71.01373	18.2
85.02941	4.8
87.00867	2.9
89.02441	15.3
89.88589	1.8
93.03440	6.1
95.01363	2.4
96.96015	3.3
97.02953	40.8
101.02414	8.4
105.03448	2.0
109.02946	1.5
109.09009	2.0
113.02440	6.2
115.12292	1.5
119.03487	5.4
121.02920	2.2
123.00818	2.4
123.04518	10.0
125.02393	2.7
135.04492	2.6
137.02394	2.2
141.01886	3.3
147.04483	1.6
149.02367	2.6
149.06033	9.2
151.03979	3.0
161.02457	1.7
161.04543	1.7
163.03987	3.2
165.01894	1.8
167.07114	2.8
179.03487	9.9
179.05464	3.0
180.03947	1.6
183.02936	3.9
191.05609	17.0
193.05016	15.0
194.05779	5.6
209.08142	6.5
255.02948	2.1
284.99335	1.9
373.11334	20.9
374.11893	2.0
453.14120	2.0
571.60773	1.6
666.81824	2.0
706.29053	2.0
729.22357	59.6
730.22833	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	791.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47958	9.6
61.98819	36.5
70.04659	29.1
78.95892	16.7
80.96503	14.2
82.45863	11.8
93.29693	9.8
98.41285	10.4
152.99550	14.7
191.05630	10.3
209.11803	100.0
227.12787	12.6
277.21646	84.4
340.70724	10.1
791.43573	19.3
802.67474	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	791.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06132	0.9
61.98546	1.5
61.98828	20.8
62.96381	0.9
63.96212	3.0
64.41222	0.9
69.03458	1.1
69.45787	0.9
71.01388	9.5
72.99288	1.8
73.02926	1.5
74.48122	0.8
78.95905	21.6
78.98593	7.3
79.95735	16.8
80.96516	90.2
85.02950	5.6
87.00845	4.1
88.98766	1.4
94.95168	0.8
94.98082	21.1
96.96001	1.7
96.96955	1.5
96.97634	0.9
97.02931	2.3
97.06566	1.6
98.19933	3.3
101.02418	2.3
106.98066	4.4
115.92062	1.4
122.97564	4.4
125.02397	3.5
134.97565	6.9
136.99126	2.7
148.99126	8.8
149.97681	0.9
152.98543	6.1
152.99530	19.1
153.03662	1.0
164.98615	14.5
171.00571	1.7
171.10255	5.6
177.28024	0.9
179.89218	1.3
183.13725	1.5
196.89381	2.5
197.11691	1.0
206.99582	3.5
209.11786	2.7
209.57921	1.1
211.13312	3.7
225.00737	23.8
227.03285	1.1
229.14268	3.7
239.12814	1.4
253.21695	4.4
255.23141	1.6
281.24649	2.5
291.19321	1.5
327.21808	9.2
463.20758	1.9
509.16779	1.2
537.24707	1.1
555.17627	1.7
555.25708	17.9
556.25446	1.5
563.28363	1.7
791.42560	100.0
792.28265	1.4
792.42853	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	791.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
61.98833	11.3
70.37608	1.9
70.37965	2.3
71.01384	5.8
73.02943	3.1
78.95923	3.4
80.02671	1.1
80.96505	1.3
88.98788	1.8
89.02444	1.4
99.92584	11.3
101.02438	2.0
105.01942	1.9
106.21465	1.2
113.02462	1.3
116.92861	100.0
117.01962	3.1
117.92853	6.9
125.02460	1.7
130.83212	1.1
152.76146	1.0
161.02446	1.3
162.65733	1.2
169.01482	2.2
171.10201	7.4
191.05562	5.6
199.09836	1.8
201.11337	1.4
209.11810	40.6
210.12198	4.2
211.13380	16.7
225.11273	1.5
227.12843	14.1
235.08243	2.4
251.16389	1.7
253.09140	5.8
281.32645	1.2
291.19632	20.9
292.19919	2.4
295.49655	1.4
309.20587	2.2
376.02350	1.4
445.20438	2.4
527.28577	3.3
650.91406	1.3
719.39716	1.3
737.41583	1.7
791.40112	11.5
792.40527	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	791.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.2
61.98819	0.3
68.50072	0.1
71.01379	0.3
71.54021	0.1
73.02940	3.4
78.95908	0.1
96.96006	0.3
99.00862	0.6
99.92579	10.7
100.92586	0.5
108.98344	0.1
111.06258	0.1
112.98536	0.1
114.93448	0.5
115.00406	0.2
116.92856	100.0
117.01931	5.2
117.92869	5.2
125.02400	0.1
135.04546	0.1
137.02446	0.1
161.02318	0.1
165.01965	0.2
169.01402	0.1
171.10255	0.2
179.03471	0.1
185.11763	0.1
191.05592	0.4
195.06679	0.2
201.11346	0.2
202.23607	0.1
203.11600	0.1
209.11855	0.9
225.07732	0.1
225.11375	0.1
227.12840	0.1
253.09482	0.1
296.72241	0.1
298.59924	0.1
327.21857	0.3
791.36407	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	791.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71721	1.2
60.99294	6.0
61.98830	84.0
62.96385	1.7
71.01393	2.3
78.95901	100.0
78.98571	2.2
79.95743	6.0
80.96517	35.3
83.05029	2.0
85.02947	2.4
87.00860	2.9
87.34543	1.4
88.00403	1.6
88.98811	34.5
89.02454	7.6
94.98083	7.9
96.96011	1.5
96.96941	3.9
97.02903	2.2
98.19955	4.1
99.92582	13.0
100.73912	1.4
106.98083	2.2
109.06576	3.7
115.92072	22.1
116.92086	2.0
116.92851	17.5
120.96952	2.6
134.97621	1.9
148.99109	2.8
152.98567	2.4
152.99591	30.8
161.52615	1.3
163.89638	3.0
164.98570	5.2
171.00751	1.5
171.10207	3.8
172.95456	2.6
178.88399	8.9
179.89207	26.4
180.90050	11.0
192.55849	1.4
195.00562	1.6
196.89465	24.2
207.10280	2.9
209.11728	8.9
211.13361	2.9
225.00745	8.5
225.11371	1.7
225.80872	1.6
229.14536	2.5
235.91780	3.2
236.92567	5.5
237.93271	3.2
252.92099	1.3
253.21609	3.4
255.23207	1.8
285.04535	1.3
288.15930	1.3
291.19781	2.0
327.21555	6.8
345.94543	1.6
386.99445	2.5
428.03250	3.7
453.15079	2.1
489.12393	1.6
507.87802	1.5
519.07043	6.3
546.81189	1.5
555.25787	11.9
736.94727	1.6
755.28467	15.8
756.29279	4.0
773.30042	2.6
791.30237	28.8
791.43616	38.8
792.30774	8.2
792.44049	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	790.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73382	0.1
59.01403	0.2
61.98828	100.0
66.79512	0.2
71.01383	0.3
71.51439	0.3
78.95903	1.8
78.98596	0.2
79.95740	0.4
80.96512	2.1
81.93107	0.2
85.02942	0.2
94.98099	0.6
97.02948	0.2
148.99162	0.2
152.99602	1.1
164.98627	0.4
171.10321	0.3
178.43231	0.2
179.89282	0.3
196.89458	0.3
209.11911	0.2
211.13551	0.2
225.00803	0.8
244.35979	0.2
327.22073	0.3
555.25745	1.1
790.28918	0.2
791.42950	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	789.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.4
61.98829	6.6
67.89540	0.6
69.03461	1.6
71.01382	4.6
71.53526	0.8
78.95901	2.5
83.05034	1.0
85.02945	1.2
87.00848	0.7
88.98804	1.9
96.96004	2.6
97.02959	1.4
97.06570	1.0
101.02432	0.9
109.06575	0.8
116.92813	0.8
122.02424	0.7
125.06092	0.8
125.09734	1.4
126.66175	0.7
137.09680	0.9
151.04015	0.8
151.07649	1.6
152.08438	0.9
163.11301	4.4
165.12894	5.1
171.10239	3.0
179.14412	1.7
181.12384	1.6
185.11655	0.7
191.05612	2.3
193.15979	1.8
197.11794	2.2
207.10239	2.3
209.11810	7.5
209.15443	2.7
211.13330	1.0
223.13347	1.9
225.11296	1.3
227.12688	1.0
235.08058	0.9
247.20688	6.1
253.09293	1.0
273.18564	2.1
285.16986	0.7
291.19644	56.9
292.20026	5.8
299.16418	2.8
309.20685	100.0
310.17511	1.3
310.20987	10.0
341.23273	0.8
377.54794	0.8
479.28641	0.9
487.34210	1.1
783.07373	0.9
789.42480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03439	1.8
58.00587	1.5
59.01379	14.2
61.98829	10.6
68.99567	16.2
69.03452	1.6
69.74878	2.0
69.75293	2.6
71.01379	51.0
72.01711	1.2
72.99311	1.6
73.02946	6.5
78.95892	3.1
79.62227	0.8
80.02679	1.0
81.03451	2.3
82.39587	0.8
83.01402	2.0
83.05025	7.5
84.02174	2.1
85.02946	9.2
87.00879	3.7
89.02438	7.5
91.03924	0.8
93.03420	1.4
95.01380	2.1
95.05013	3.7
96.96008	9.7
96.96962	1.6
97.02966	4.0
97.06580	3.9
99.00878	2.8
99.04510	1.1
99.92577	1.7
101.02438	9.6
109.02953	1.7
109.06596	8.5
110.03726	2.1
111.00877	1.0
112.98561	13.8
113.02436	5.5
116.92854	11.9
119.03520	2.0
121.06596	1.4
123.04531	1.2
125.02444	2.1
125.06062	1.2
125.09709	3.1
127.11269	3.7
135.08153	1.9
137.02446	1.1
137.09717	1.6
139.07645	1.1
139.11293	1.0
143.03479	1.2
145.05093	1.4
147.42311	0.8
151.11211	0.9
155.10774	3.5
157.05049	1.0
161.04543	3.4
161.09721	1.3
163.11304	11.6
165.12849	4.6
165.96849	0.8
167.14394	1.1
168.11307	1.0
171.10257	72.8
172.10612	2.8
177.12723	1.1
179.05653	1.3
179.10826	1.7
181.12355	4.4
183.13878	3.3
185.11864	4.2
189.09164	1.7
191.05583	2.3
193.12210	1.5
197.11803	3.8
199.09833	1.2
199.13341	1.3
201.11304	22.2
202.11676	1.2
207.10236	22.7
209.11815	100.0
210.12054	5.5
211.13376	20.3
212.13681	1.0
215.12848	2.6
221.11790	2.7
225.11298	46.5
226.11568	3.4
227.12857	9.8
228.12994	0.9
229.14403	12.7
230.14751	1.4
235.08215	12.1
239.12814	1.6
243.12329	3.3
253.09268	34.5
254.09618	2.1
291.19586	5.9
299.01974	0.9
307.19269	2.3
309.20612	12.0
310.21106	0.9
325.20352	0.9
327.21729	96.6
328.22003	9.2
407.19165	2.2
443.19193	1.5
461.20453	8.3
462.20731	2.0
479.21335	1.6
481.31552	1.2
563.30396	2.4
691.84979	1.0
771.42053	4.6
789.42163	3.8
790.42383	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	789.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	8.4
59.51934	4.2
61.98535	7.3
61.98828	87.3
71.01376	23.4
71.52361	5.3
78.95905	27.7
80.96504	7.8
83.05009	5.8
85.02928	8.9
89.02418	5.8
89.42352	4.1
93.03459	5.9
94.98097	4.8
101.02427	7.1
112.98587	7.6
113.02458	5.3
152.99567	10.3
163.11163	5.3
169.01422	6.3
171.10228	14.3
191.05528	20.6
192.05922	6.0
196.89322	6.5
207.10236	8.6
209.11798	100.0
210.12096	8.6
211.13477	4.8
225.11250	6.6
227.12816	29.2
253.09337	19.8
267.43085	4.3
289.18015	7.3
291.19586	7.1
307.19135	19.5
309.20511	5.0
327.21686	10.2
445.21051	6.8
662.44678	5.3
723.45630	4.9
789.39093	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	789.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25693	4.9
59.01377	6.7
61.98831	84.1
68.99574	100.0
69.97675	4.7
70.34364	5.5
71.01366	7.8
78.95889	9.7
109.06574	10.9
111.08217	6.7
112.98564	81.5
113.02463	15.4
157.62047	5.4
191.05585	8.9
197.11784	22.8
207.10252	51.2
209.11803	17.3
225.11320	21.8
227.12846	5.8
232.91316	5.1
235.08206	9.9
241.43848	5.5
253.09241	20.4
291.19617	12.1
307.19128	5.3
309.20706	47.2
421.28055	5.6
461.20422	8.0
585.04315	5.5
753.41107	33.6
754.41150	7.1
789.38538	15.2
790.38660	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	789.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71204	4.4
59.01369	10.8
59.08421	4.0
61.98826	44.7
68.68974	3.8
71.01389	12.7
71.21979	3.7
78.95905	71.5
85.02933	5.3
89.02431	7.1
96.96932	5.3
98.20668	10.9
101.02452	10.6
103.22531	3.9
109.06593	14.5
111.08178	5.9
113.02435	5.0
135.08212	4.3
152.99579	36.2
163.11331	9.7
171.10295	8.9
179.90671	4.2
191.05586	14.6
195.13896	8.8
197.11797	14.4
205.08681	9.0
207.10255	55.6
208.10530	7.0
211.13414	5.0
223.09723	12.7
225.11331	33.9
229.59172	5.7
235.08229	9.9
243.16031	5.0
253.09254	18.4
291.19650	100.0
292.19946	8.9
293.21207	59.2
294.21640	5.9
311.22415	4.8
331.15366	4.7
443.19553	5.3
445.19940	4.8
461.20215	7.9
479.24255	7.6
499.30255	6.6
527.28644	4.6
547.82275	4.6
572.16779	4.7
644.57648	4.3
686.66437	4.5
703.31042	8.2
717.38068	7.0
735.39911	16.7
753.40887	12.1
789.46954	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.5
62.99257	0.2
63.99254	2.3
70.45201	0.1
71.01391	0.3
76.44592	0.1
78.95910	0.3
79.07586	0.1
79.95751	0.5
80.96517	1.9
82.96076	0.2
85.02938	0.2
94.43744	0.1
94.98093	0.6
97.42525	0.1
98.20635	0.5
123.64882	0.1
125.02436	0.1
148.99118	0.2
152.99673	0.2
164.98711	0.2
193.62997	0.2
197.11711	0.2
225.00809	0.3
482.45737	0.2
496.81747	0.2
788.39307	0.8
789.40802	1.6
808.96362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48772	0.1
61.98828	100.0
62.98523	0.2
69.53271	0.1
71.01389	0.2
78.95890	0.2
78.98595	0.1
79.95747	0.2
80.96512	1.4
94.98088	0.4
96.96060	0.1
101.02473	0.1
105.94937	0.1
125.02444	0.1
152.98570	0.1
164.98645	0.3
165.26425	0.1
211.71432	0.1
225.00812	0.4
279.23315	0.1
395.79361	0.1
788.39691	0.3
788.52295	0.1
789.40820	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	788.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98530	0.4
63.99259	2.2
71.01392	0.3
71.53169	0.2
78.95927	0.4
78.98598	0.1
79.95761	0.4
80.96516	2.0
82.96085	0.2
94.98096	0.5
114.06447	0.1
136.19841	0.1
161.80457	0.1
164.98666	0.3
201.79466	0.1
205.17224	0.1
225.00851	0.4
249.39615	0.2
279.23206	0.2
562.32495	0.2
644.11456	0.2
788.38586	0.8
788.52740	0.2
789.40717	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	788.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90466	0.2
61.98828	100.0
62.96404	0.2
62.98529	0.2
68.85084	0.2
69.74970	1.0
71.01388	0.2
78.95902	2.3
79.95759	0.3
80.96509	1.5
94.98090	0.3
98.19883	0.3
99.92614	0.4
109.06524	0.2
112.27905	0.2
115.92088	0.5
116.92864	0.6
152.99576	1.0
179.89282	0.5
180.89963	0.3
188.95512	0.2
196.89511	0.7
217.15485	0.2
225.00810	0.5
266.08798	0.2
273.61230	0.2
290.36188	0.2
303.61270	0.2
324.32648	0.2
507.03546	0.2
627.10931	0.2
676.31873	0.2
740.79114	0.2
789.28027	0.9
789.41492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98526	0.1
63.87868	0.1
64.68041	0.1
71.01386	0.2
73.94486	0.1
78.95895	0.4
78.98612	0.3
79.95737	0.3
80.96510	1.9
85.02953	0.1
85.78355	0.1
94.98101	0.4
122.25294	0.1
148.99142	0.2
152.99652	0.2
164.98686	0.4
225.00781	0.4
325.41937	0.1
393.62332	0.1
788.40149	0.4
789.40881	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	787.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82479	2.0
58.59456	2.0
59.01372	15.0
60.28064	2.0
61.98836	11.8
62.96534	2.1
71.01381	13.1
73.31745	1.9
78.95897	7.9
80.02660	2.5
83.05019	5.6
85.02934	5.6
87.00908	2.8
87.25153	2.0
89.02435	4.8
96.96037	3.0
96.96995	2.4
98.95613	2.5
101.02441	6.7
111.08149	5.0
113.02452	4.8
116.92873	2.5
122.98569	2.1
125.02407	3.8
130.54247	2.4
152.99564	3.7
161.04572	1.9
163.11304	4.4
165.12862	3.8
169.01385	5.0
171.10258	8.1
181.12294	3.8
191.05621	16.2
197.11844	29.5
198.12067	3.7
207.10196	4.5
209.11813	100.0
210.12097	7.9
211.13303	6.8
225.11304	7.1
227.12863	15.9
229.87256	2.6
235.08218	6.7
253.09251	16.5
263.20148	3.1
289.18060	9.5
291.19586	11.1
299.01898	3.7
309.20667	38.3
310.21082	3.9
341.23209	4.2
343.24667	2.9
355.95383	2.5
601.35291	2.3
733.37482	2.9
751.38763	4.0
787.42456	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	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	35.5
61.98829	75.9
69.87389	17.1
71.01380	82.9
71.07995	3.8
72.45286	4.0
78.95904	72.8
81.03461	6.2
83.05015	10.5
85.02945	18.0
85.09734	4.0
87.00860	10.6
88.98798	5.7
89.02444	11.2
93.03450	15.3
96.96992	5.0
97.02950	5.6
99.00885	4.8
101.02440	14.8
109.02895	4.2
109.06587	22.7
111.08163	7.4
113.02464	4.4
125.02325	5.8
125.09723	4.3
135.04533	9.6
152.99583	32.4
161.02422	8.1
163.11267	16.4
169.01390	9.5
171.10275	44.1
173.04518	16.9
179.03380	4.7
179.10747	4.9
181.12325	7.5
191.05624	62.2
192.06027	5.5
192.27931	3.9
195.13902	8.2
197.09081	4.5
197.11790	14.6
199.13310	7.5
201.11307	16.0
207.10257	62.4
209.11803	100.0
209.13786	5.2
210.12036	10.2
211.13371	8.9
225.11345	48.7
225.14922	7.4
227.12819	9.6
228.13499	4.2
229.01622	4.2
235.08295	8.9
243.12485	8.8
253.09248	24.6
275.20123	6.9
291.19705	41.1
293.21231	52.6
294.21536	8.9
307.19046	4.4
309.20505	7.6
341.23270	9.8
443.18600	5.9
443.97015	4.5
445.19858	9.6
451.82007	4.7
461.20132	4.9
463.20999	5.4
477.22488	6.7
755.42535	8.9
787.31708	8.4
787.34991	5.8
787.44904	35.6
787.83185	6.0
788.44873	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01375	5.1
61.59956	0.5
61.98827	4.7
69.03458	0.9
69.63132	2.6
71.01385	4.6
72.99285	0.5
73.02936	0.8
78.95897	4.8
79.95742	0.5
80.02682	1.3
81.03461	1.4
83.05022	6.4
84.02160	2.5
85.02937	1.4
86.05978	0.4
87.00865	1.3
89.02444	2.7
93.03458	0.7
95.05009	1.2
96.96012	16.4
96.96936	4.4
97.02941	1.1
97.06593	5.8
99.04501	0.9
101.02438	4.5
109.06568	0.9
111.08137	0.4
113.02449	2.3
116.92868	2.2
119.03522	1.1
122.00183	0.4
125.06025	0.7
125.09738	1.1
135.08202	1.5
145.05096	0.6
151.11302	0.5
161.04520	1.3
163.11285	4.1
164.11685	0.5
165.12820	2.6
169.01482	0.4
171.10263	9.8
173.04497	0.6
175.11328	0.5
179.05566	0.8
183.13898	0.8
185.11865	0.6
191.05615	1.1
191.10806	0.9
193.12323	8.1
197.11824	1.3
201.11322	0.6
207.10191	0.8
209.11816	100.0
210.12155	7.4
211.13397	2.9
221.11836	0.7
225.11438	0.9
225.14941	11.7
226.15347	0.6
227.12891	10.3
228.13188	0.8
235.08209	5.5
243.16031	4.3
253.09271	16.1
253.14539	0.6
254.09688	0.8
273.18512	0.4
291.19614	0.9
323.22226	0.7
325.20154	0.7
327.21695	1.7
341.23294	71.9
342.23669	8.5
445.20651	1.4
478.39365	0.4
533.35242	3.0
534.34875	0.7
551.35541	0.6
577.32141	1.2
802.06708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
57.03425	0.6
59.01381	7.0
61.45877	0.5
61.98827	13.7
65.84084	0.5
67.01891	0.9
68.99565	1.4
69.03452	1.9
69.28271	3.5
69.28683	1.3
71.01377	7.3
72.10046	0.5
72.99315	1.2
73.02945	3.0
78.95899	14.6
79.95734	2.5
80.02682	1.8
80.91679	0.8
80.96539	0.8
81.03460	1.6
83.01386	1.0
83.05019	5.6
84.02180	1.8
85.02953	2.2
87.00868	1.7
89.02453	2.9
91.03996	0.5
93.03456	2.1
95.01386	0.7
95.05051	0.8
96.96010	67.1
96.96931	16.1
97.02947	1.3
97.06580	5.5
98.95570	0.5
99.00858	0.7
99.04498	0.6
99.92577	11.1
101.02435	4.7
109.06592	1.3
111.04517	1.1
112.98551	1.4
113.02441	2.8
114.93449	0.7
116.92855	92.9
117.01905	1.9
117.92873	5.9
119.03534	1.3
123.00874	0.5
123.08163	0.6
125.02413	1.8
125.06131	0.9
125.09731	2.2
135.08165	1.3
137.09685	0.6
143.03470	0.6
145.05107	0.9
151.11235	0.7
155.03493	0.8
161.04550	2.3
163.04002	0.6
163.11272	4.5
165.12837	2.5
169.01398	1.8
171.10262	11.0
172.10605	0.7
173.04523	2.2
176.59219	0.5
179.05557	0.8
181.12346	0.7
183.13766	0.7
185.11742	1.1
191.05621	6.6
191.10747	1.2
193.12332	7.5
197.11827	1.9
199.13351	0.6
201.11259	1.4
207.10268	2.0
209.11809	100.0
210.12134	6.9
211.13396	3.6
221.11885	0.7
223.09683	1.7
225.11447	3.5
225.14929	10.5
225.52521	0.6
226.15321	0.7
227.12866	12.7
227.15132	0.7
228.13264	0.9
235.08189	5.7
239.12823	0.7
243.15984	3.5
253.09258	17.5
253.14420	0.7
254.09610	1.4
289.18375	0.6
291.19580	1.4
323.22223	2.2
325.20322	3.3
327.21707	3.7
341.23282	63.5
342.23676	7.3
391.82886	0.6
445.20929	1.2
448.15466	0.6
461.20517	0.6
507.10855	0.5
533.34729	1.8
577.32178	1.6
590.11041	0.7
617.07428	0.9
787.41144	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
59.01373	4.2
61.98830	3.5
65.79364	0.3
69.03448	1.0
71.01377	4.1
72.88290	0.3
73.02927	0.5
78.95898	0.9
80.02668	1.5
80.40328	0.2
81.03461	1.8
83.01373	0.6
83.04568	0.5
83.05019	5.5
84.02166	2.3
85.02954	1.5
87.00883	1.3
89.02438	3.3
93.03464	0.6
95.01395	0.6
95.05003	1.0
96.96010	3.3
96.96961	0.9
97.02937	0.4
97.06586	5.2
98.20777	0.5
99.00832	0.3
99.04537	0.4
99.92567	0.7
101.02435	3.3
109.06605	0.5
113.02458	1.7
116.92869	6.5
117.92870	0.4
119.03492	1.1
123.04480	0.3
125.02452	0.5
125.06046	0.4
125.09718	1.2
127.11294	0.5
133.05058	0.4
135.08128	0.8
137.09721	0.6
138.86395	0.3
150.56702	0.3
161.04573	1.5
163.11272	3.8
165.12840	2.4
169.01370	0.4
171.10254	8.8
175.11353	0.7
179.05597	0.6
181.12299	0.8
183.13977	0.4
185.11823	0.4
191.05550	1.0
191.10736	1.1
193.12318	6.8
194.12708	0.4
201.11305	0.7
207.10170	0.5
209.11812	100.0
210.12143	6.7
211.13391	1.8
221.11757	0.7
223.09680	0.6
223.13264	0.4
225.11317	0.9
225.14938	9.2
226.15260	0.9
227.12872	10.7
227.15141	0.5
228.13174	0.9
235.08192	4.8
236.08481	0.4
243.16000	3.3
253.09290	13.9
253.14490	0.7
254.09602	0.6
291.19574	0.9
305.21118	0.4
309.20544	0.4
323.22214	1.1
325.20111	0.5
327.21692	1.1
328.22141	0.3
341.23294	61.1
342.23679	8.1
342.27719	0.2
445.20657	0.8
533.34686	1.7
534.34967	0.5
577.32349	1.4
787.43854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69974	1.4
59.01369	5.0
60.65199	1.8
61.98829	51.0
63.96236	2.6
64.83893	1.6
71.01379	11.7
71.32309	1.4
71.53640	1.8
77.03834	1.4
78.95910	20.7
78.98584	7.6
79.95735	17.6
80.96520	93.7
85.02949	4.7
87.00859	5.0
88.79805	1.4
94.98094	18.0
95.01410	2.0
96.96014	1.9
96.96908	1.8
101.02477	3.6
102.70426	1.4
106.98096	4.3
107.18016	1.4
114.62907	1.5
120.45425	1.4
122.97610	3.5
125.02428	5.4
125.82830	1.5
134.97566	5.2
136.99080	2.8
140.94325	1.4
148.99133	6.7
152.98531	7.2
152.99583	5.8
164.98622	14.7
169.01341	1.7
171.10310	2.7
191.05612	3.8
206.99626	2.9
209.11783	3.9
223.13321	10.1
223.23325	1.5
224.98705	1.7
225.00746	19.6
227.12944	1.8
253.09502	3.0
264.64206	1.4
277.21658	5.3
291.19626	12.1
341.23148	1.8
678.46521	1.6
787.39368	100.0
788.39484	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03444	1.1
58.00605	0.4
59.01373	6.3
60.10728	0.4
61.98828	9.2
63.99240	0.6
68.99823	0.5
69.03454	1.3
71.01375	9.8
71.53254	0.7
72.99305	0.5
73.02948	1.0
78.95902	3.2
79.95718	0.7
80.02668	1.1
81.03457	1.3
81.33788	0.4
83.01379	0.7
83.05019	5.3
84.02161	3.7
85.02945	3.2
87.00890	2.6
87.99209	0.4
89.02441	3.4
91.04012	0.4
93.03445	0.9
95.01379	0.9
95.05043	1.2
96.96006	10.0
96.96938	3.3
97.02940	2.5
97.06576	4.5
99.00858	1.0
99.04523	0.9
101.02430	4.2
107.05032	0.5
108.16702	0.3
108.26256	0.4
109.06593	2.1
111.00901	0.4
111.04504	1.2
111.08121	0.5
112.98558	0.7
113.02462	2.2
116.92844	1.2
119.03482	1.1
121.02985	0.5
123.08163	0.5
125.02412	1.2
125.06094	0.9
125.09737	2.0
126.90417	0.6
127.11240	0.6
128.90152	2.8
129.01895	0.9
135.08150	1.7
137.09708	0.6
137.18835	0.4
143.03548	0.8
145.05098	0.6
151.11320	0.7
153.09209	0.6
158.71605	0.4
158.95174	0.4
161.04539	2.1
161.09712	0.8
163.11298	4.2
165.12842	2.5
167.10751	0.4
168.00543	0.4
169.01363	1.0
169.12389	0.5
171.10252	21.3
172.10593	1.0
177.09190	0.6
177.12851	0.4
179.05550	0.8
179.10713	1.8
180.11142	0.4
181.12294	1.3
183.13878	1.4
185.11813	1.5
191.05542	1.8
191.10701	0.9
193.12288	4.8
197.11816	2.5
199.13416	1.2
201.11351	1.8
205.08742	1.1
207.10266	2.3
209.11809	100.0
210.12169	6.1
211.13382	5.9
213.11339	0.6
215.12906	0.5
221.11844	1.2
223.09755	5.6
225.11443	2.8
225.14926	6.8
227.09415	0.4
227.12869	10.4
228.13109	0.8
229.14455	1.6
235.08197	6.9
235.13310	0.6
241.10780	0.5
243.15944	2.8
253.09270	17.8
253.14455	0.7
254.09506	0.8
272.16092	0.5
289.18091	0.5
291.19690	2.2
305.17715	0.5
305.21039	0.6
309.20593	2.3
322.02402	0.4
323.22189	1.4
325.20169	3.1
327.21677	9.7
328.22119	1.1
341.23282	63.7
342.23654	6.7
407.19067	0.4
445.20691	1.2
459.18536	1.0
461.20615	0.5
533.34637	2.0
534.35205	0.5
551.35669	0.5
563.30542	0.5
577.32092	1.5
769.40656	1.9
770.40936	0.7
787.42151	3.8
788.41827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.1
61.98826	100.0
62.98531	0.9
62.99255	0.3
63.99252	0.8
64.32802	0.1
71.00738	0.1
71.01379	0.9
73.02943	0.1
78.95892	0.3
78.98598	0.8
79.95722	1.5
80.96510	9.3
81.03451	0.2
85.02945	0.3
87.00863	0.3
94.98084	2.0
96.95988	0.2
98.69580	0.1
101.02438	0.4
106.98074	0.4
122.97555	0.4
125.02454	0.4
134.97491	0.5
136.99147	0.3
148.99159	0.7
152.98592	0.7
164.81918	0.1
164.98613	1.6
206.99716	0.3
209.11798	0.2
225.00728	2.1
265.01746	0.1
277.22031	0.1
283.04730	0.2
402.71637	0.1
587.41974	0.2
652.22882	0.1
787.39313	8.2
788.39594	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	787.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
59.01376	1.5
61.98829	27.2
63.96235	2.5
66.94633	0.5
67.37023	0.5
69.03436	0.6
69.23920	5.7
71.01377	12.0
71.50324	0.6
73.02934	2.9
78.95894	2.0
78.98587	8.8
79.95731	18.6
80.96512	100.0
81.03452	1.4
83.04996	0.6
85.02514	0.5
85.02947	3.5
87.00871	2.8
94.98080	22.5
95.22855	0.7
96.59511	0.7
96.96012	2.0
97.02937	1.5
98.19926	1.0
99.00908	1.0
101.02429	2.1
106.98077	5.0
110.61028	0.6
122.97587	4.4
125.02444	4.4
127.04003	1.1
132.00203	0.7
133.06413	0.5
134.97574	7.1
136.99117	2.5
148.99130	9.5
152.98607	6.9
152.99657	0.6
158.39049	0.6
160.49849	0.6
164.98622	16.2
167.00156	1.0
197.01352	0.6
206.99658	3.5
209.11739	2.7
225.00731	24.7
277.21576	1.7
295.22842	1.1
304.46274	0.6
311.22189	0.6
323.31741	0.6
442.10587	0.6
509.16553	1.6
559.25806	1.5
787.39319	92.0
788.39874	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90953	0.1
59.01376	0.6
61.98829	11.2
62.96395	0.1
62.98542	0.2
63.99258	0.7
68.99572	0.5
69.03448	0.2
71.01380	0.7
71.53246	0.2
75.52239	0.1
78.95903	18.4
79.95741	3.6
80.91679	0.2
80.96521	0.2
81.03455	0.1
85.02940	0.2
89.02465	0.4
93.03485	0.3
94.98090	0.4
96.96014	100.0
96.96932	21.0
97.02933	0.2
97.95945	0.4
101.02441	0.4
107.01435	0.2
112.98577	0.4
113.02498	0.2
119.03494	0.2
124.01668	0.2
125.02444	0.6
137.02469	0.2
141.73509	0.1
163.11310	0.2
169.01433	0.6
171.10320	0.3
191.05667	1.0
197.11858	1.3
207.10220	0.5
209.11827	2.8
210.12100	0.2
225.11374	0.3
249.31679	0.2
253.09236	0.4
300.02780	0.2
301.03439	0.3
343.21158	0.2
379.12640	0.2
397.13452	0.6
545.41937	0.2
617.07318	0.2
775.06927	0.2
787.35815	0.3
802.20227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98829	46.2
62.02425	0.7
63.96225	1.9
65.42254	0.7
69.03452	1.1
69.54519	0.7
71.01389	10.9
71.15836	1.9
71.23411	0.7
72.97878	0.7
73.02939	2.4
78.33427	0.7
78.95897	7.8
78.98588	9.1
79.95284	1.3
79.95735	19.5
80.96516	100.0
81.03471	1.1
84.02138	0.8
85.02966	3.8
87.00864	4.2
94.98081	24.4
95.01382	0.9
96.95993	2.2
96.96928	0.9
97.02932	2.5
101.02445	3.9
106.18353	0.9
106.98073	4.2
122.97560	3.4
123.89834	0.8
125.02469	5.1
127.03947	0.9
134.97586	6.9
136.99133	1.3
148.99132	8.9
152.98546	6.2
152.99588	3.4
164.66037	0.8
164.98616	14.8
167.00153	0.9
171.10294	1.2
191.05556	2.2
206.99675	2.7
209.11844	4.8
224.98677	1.5
225.00728	20.3
235.73000	0.9
277.21597	3.1
278.22202	0.8
278.86017	0.8
279.23303	8.2
283.05087	0.9
295.22803	1.0
509.17108	2.5
559.25867	1.4
714.43439	3.6
787.39319	92.5
788.39661	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01379	2.6
60.58501	0.2
61.98830	8.4
63.99251	0.4
69.03467	0.5
71.01384	2.8
71.53825	0.3
72.99315	0.3
73.02946	1.5
78.95905	4.6
79.95736	1.0
80.02681	0.5
80.94628	0.2
80.96461	0.2
81.03471	0.6
83.01378	0.3
83.05023	1.8
84.02135	1.0
85.02985	1.0
87.00878	1.0
89.02439	1.3
93.03462	0.6
94.98072	0.3
95.01401	0.3
95.05015	0.4
96.96011	22.3
96.96944	6.0
97.02945	0.6
97.06603	1.5
99.00872	0.5
99.04524	0.4
99.92585	11.4
100.92616	0.5
101.02443	1.5
109.06575	0.4
111.04536	0.3
112.16123	0.2
112.98522	0.2
113.02438	0.6
114.93414	0.4
116.92860	100.0
117.01939	2.1
117.92867	6.0
123.08108	0.2
125.02457	0.5
125.06104	0.4
125.09719	0.9
127.11250	0.2
128.90189	0.3
135.08142	0.3
137.09723	0.4
143.03481	0.3
145.05057	0.3
145.31563	0.2
161.04559	0.7
163.11310	1.5
165.12813	0.7
169.01430	0.5
171.10271	6.3
172.10526	0.3
173.04527	1.0
179.05530	0.3
181.12367	0.3
183.13924	0.4
185.11847	0.3
191.05617	1.8
191.10796	0.4
193.12302	1.2
197.11810	0.8
199.13441	0.3
201.11298	0.9
205.08667	0.3
207.10275	0.8
209.11829	33.6
210.12210	1.0
211.13443	1.4
213.11346	0.3
223.09721	0.7
223.13304	0.3
225.11356	1.3
225.14951	1.6
227.12901	4.4
229.14375	0.3
235.08160	2.0
239.12897	0.3
243.16017	0.8
253.09293	5.6
253.14517	0.2
280.86658	0.2
291.19611	0.8
305.17465	0.2
309.20261	0.3
323.22296	0.3
325.20099	0.9
327.21799	1.9
341.23297	18.9
342.23477	1.0
445.20715	0.5
533.34155	0.3
577.32349	0.2
617.07794	0.3
769.39807	0.2
787.42017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92064	0.3
71.01390	0.3
71.53181	0.4
79.95728	1.8
85.02939	0.7
93.03446	0.9
96.96008	100.0
124.61448	0.3
173.04526	0.7
184.28920	0.3
191.05600	6.7
225.47746	0.3
243.18071	0.3
287.41824	0.3
301.03482	0.4
323.12961	0.4
339.05386	31.8
340.05704	2.9
390.07990	0.3
439.13995	0.4
447.09091	0.7
448.08942	0.3
787.24591	1.4
788.25055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.12929	0.1
61.98827	100.0
62.98519	0.2
71.52171	0.2
78.95921	0.6
80.96507	1.0
88.46059	0.2
94.98041	0.2
101.62708	0.1
121.17537	0.2
124.83018	0.2
152.98512	0.2
152.99667	0.2
164.98717	0.2
196.89407	0.2
225.00742	0.2
234.18379	0.2
255.23193	0.2
383.47235	0.2
695.74829	0.2
786.42438	0.4
787.39502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0995
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
64.77483	0.7
67.01866	0.8
68.34488	0.7
69.03464	1.0
69.11230	0.9
71.01378	2.4
79.01889	1.6
81.03448	1.0
83.01384	1.5
85.02938	1.3
87.00845	0.8
95.01410	3.7
97.02935	1.9
101.02460	1.4
107.01370	7.4
107.05035	0.9
109.02896	1.4
111.00872	2.1
113.02431	2.0
117.52317	0.9
123.00883	16.6
123.04544	1.4
124.01687	3.9
125.02441	81.5
126.02775	3.0
127.00372	0.9
136.98811	2.5
137.02431	1.3
139.00372	5.6
140.01193	3.8
141.01955	0.9
143.03487	1.0
145.02959	1.3
149.02451	0.9
151.00339	4.9
151.03969	0.8
159.04509	0.7
161.02409	2.6
163.03987	2.0
165.01953	1.3
166.99832	4.6
167.03476	1.1
168.00633	5.5
169.01411	100.0
170.01787	3.9
177.01942	1.7
177.20854	0.9
179.03465	6.6
181.01370	0.8
187.04099	0.9
189.01874	1.1
191.03526	2.0
191.05501	1.6
193.01389	4.7
193.80185	0.9
196.03041	0.8
198.46661	0.9
206.02252	0.9
207.02919	2.6
211.02487	5.2
221.00906	2.2
221.04442	2.5
223.02480	1.0
229.48242	1.0
233.04483	1.2
235.02432	2.8
241.03517	1.4
251.05557	1.6
277.03574	1.5
279.05179	3.4
295.04602	7.4
313.05667	19.0
403.06503	4.2
430.96848	0.8
447.05606	5.1
448.05908	1.1
449.07266	2.2
464.99948	1.1
465.06671	22.5
466.07248	3.0
471.76260	0.8
573.08850	5.9
574.08612	0.9
617.07782	57.9
618.08154	11.9
635.08832	6.4
636.09302	1.6
787.09875	20.2
787.22516	0.9
788.10083	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	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31194	0.1
61.98826	100.0
62.98521	0.1
62.99259	0.1
69.03441	0.1
69.23705	0.2
69.24126	0.4
71.01382	0.1
78.95905	0.1
78.98605	0.1
79.95749	0.2
80.96507	1.5
80.96962	0.1
94.98102	0.3
125.02420	0.1
134.97636	0.1
148.99184	0.1
150.17816	0.0
152.98616	0.1
152.99730	0.1
164.98640	0.2
192.23337	0.1
211.28671	0.1
225.00771	0.2
264.87775	0.1
279.23364	0.1
311.22333	0.1
786.49896	0.1
787.39313	1.7
787.52979	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	786.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92784	0.1
61.98830	100.0
62.98526	0.2
67.75632	0.1
70.85323	0.3
80.96533	0.3
94.98095	0.1
95.44267	0.1
102.20551	0.1
150.45665	0.1
187.19391	0.1
259.66351	0.1
277.21954	0.1
292.13516	0.1
415.23367	0.1
473.82990	0.1
760.89832	0.1
787.38861	0.6
816.63202	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	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98529	0.2
66.52008	0.1
71.01384	0.2
71.15423	0.2
78.95904	0.4
79.95737	0.2
80.96507	0.8
82.96114	0.2
94.98129	0.3
100.42270	0.1
115.91376	0.1
152.99699	0.1
168.50258	0.1
211.13409	0.3
279.23157	0.1
280.23624	0.1
513.04340	0.1
786.41699	0.2
787.39294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01383	14.4
61.98832	15.7
69.03438	2.7
71.01382	10.6
71.52147	1.3
73.02938	2.9
78.95885	3.2
81.03448	3.1
81.82713	1.1
83.01364	1.6
83.05031	5.8
84.02169	2.9
85.02931	4.2
87.00845	3.2
89.02438	5.4
93.03487	1.4
95.01371	1.8
95.05006	1.6
96.95999	4.5
96.96973	2.3
97.02962	9.4
97.06596	10.5
98.23469	1.2
99.00866	1.5
99.04495	1.6
100.32975	1.3
101.02448	7.4
103.37498	1.0
107.05009	1.9
109.06591	34.0
110.06947	1.4
113.02424	3.2
116.92838	4.5
119.03515	1.3
121.06566	2.3
125.02415	3.8
125.09706	4.2
128.90141	4.0
135.08145	4.0
136.05241	1.3
142.00902	1.2
142.02745	1.8
161.04523	3.6
161.09671	2.7
163.11288	19.4
164.11511	1.6
165.12785	1.4
167.10741	1.1
169.01401	3.3
171.10233	10.3
172.10539	1.3
181.12297	4.0
189.09126	2.6
191.05579	2.5
193.12355	9.6
197.11815	2.0
207.10249	92.0
208.10547	6.5
209.11818	11.0
211.13379	4.2
219.17511	1.3
221.11795	1.7
225.11319	30.4
225.14876	16.0
226.11555	2.1
226.15373	1.5
235.08200	7.6
243.15947	8.6
249.03780	1.1
253.06686	1.6
253.09268	24.3
275.02051	1.3
289.17917	1.1
291.19659	3.0
299.14774	1.2
300.99780	4.2
302.00308	1.5
309.20697	4.1
310.21027	1.6
323.22137	1.7
341.23288	100.0
342.23669	13.0
342.34244	1.3
420.28955	1.3
429.64325	1.4
433.49051	1.2
443.19037	4.4
461.20303	11.0
462.20349	2.1
501.22235	1.3
531.33014	4.1
577.32385	3.3
767.41589	2.4
785.43188	36.0
786.43640	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	785.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29352	0.5
57.03444	1.4
59.01376	14.4
61.98825	6.9
66.82863	0.8
69.03454	2.5
71.01379	5.9
71.05014	0.8
73.02943	1.5
78.91909	0.8
78.95901	6.3
79.95741	0.8
80.02675	2.0
81.03458	3.2
83.01421	1.8
83.05026	3.4
84.02164	2.3
85.02955	3.6
87.00888	2.1
89.02449	4.2
93.03462	0.8
95.01400	0.9
95.05043	1.7
96.96011	33.0
96.96931	7.1
97.02945	7.5
97.06579	9.1
98.20724	1.0
99.00876	2.1
99.04527	1.3
101.02446	7.2
103.82475	0.6
107.05038	1.2
109.06591	33.3
110.03721	1.9
111.00853	0.8
111.04498	1.0
113.02456	4.1
113.06147	0.6
116.92834	1.6
119.03510	2.0
121.06593	2.0
123.04546	1.2
125.02437	1.0
125.09709	2.2
135.08162	3.5
136.05310	2.1
137.09698	1.2
142.02695	2.8
143.03365	0.7
145.05070	0.8
161.04524	3.5
161.09692	2.1
163.11284	19.5
164.11552	1.0
169.01424	1.1
171.10243	11.3
175.11299	0.8
179.10695	0.9
181.12318	4.2
185.11778	0.8
189.09178	2.1
191.05643	1.3
193.12320	12.2
194.12694	0.9
197.11830	1.2
198.08949	0.7
207.10246	94.0
208.10590	6.9
209.11818	6.7
211.13373	4.3
212.13635	0.7
221.11769	1.8
223.09761	0.8
225.11325	34.1
225.14871	18.2
226.11717	1.6
226.15254	1.3
235.08212	7.1
241.14372	1.4
243.12283	0.8
243.15994	7.1
249.03806	0.9
253.09273	21.0
253.14456	1.2
254.09666	1.6
281.13837	0.7
291.19531	1.9
299.14954	2.1
300.99979	0.9
323.22177	1.1
341.23291	100.0
342.23645	10.5
443.18842	3.6
461.20294	10.2
462.20627	0.9
505.35266	1.4
531.33301	3.4
549.34918	1.1
577.32562	3.1
578.32874	0.7
708.10864	0.7
767.41144	2.4
785.43164	33.3
786.43781	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	785.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49530	0.9
59.01371	4.6
61.98829	43.0
63.96223	2.5
63.99248	0.9
69.60981	1.8
69.61394	2.7
71.01378	10.1
72.01704	1.1
73.02917	2.3
75.00901	0.7
78.95889	2.3
78.98595	7.1
79.95283	1.6
79.95727	18.9
80.96514	100.0
81.03452	1.3
81.44920	0.7
81.95326	1.8
81.96477	0.9
82.96099	14.1
82.96929	2.6
85.02950	4.1
87.00853	3.5
90.35120	0.7
94.98076	23.7
96.95999	1.8
96.97002	0.8
96.97652	2.7
97.02944	1.9
98.19897	1.4
101.02438	4.6
106.98090	3.9
109.06635	1.1
113.02468	0.8
122.97565	4.7
125.02422	4.6
125.09742	0.8
134.97598	6.7
136.97119	1.0
136.99086	1.2
148.99142	7.3
149.99269	0.9
150.98621	1.3
152.98579	7.2
164.98610	15.0
165.98926	1.0
166.98097	1.8
196.89433	0.8
197.11815	13.2
206.99615	2.9
207.10284	1.6
209.11778	2.3
225.00742	19.5
226.01074	2.0
227.00249	3.6
255.23259	1.2
277.21689	10.6
278.22083	1.3
279.23370	1.0
293.20917	1.1
329.06641	0.9
350.99072	0.7
358.08572	0.8
507.15134	1.9
741.39716	2.3
767.40424	1.9
784.42157	2.6
785.39673	78.6
786.38678	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	785.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.24725	0.3
61.98828	100.0
63.96230	0.4
63.99268	0.5
69.03437	0.3
71.01367	2.2
71.53973	0.6
78.91906	0.5
78.95901	1.1
79.95234	0.4
79.95731	18.0
80.96513	26.7
81.03458	0.4
81.08255	0.3
83.05019	1.9
83.92590	0.3
84.02242	0.3
85.02951	0.9
87.00896	0.8
89.02459	1.1
93.03444	1.0
94.98106	1.1
95.95246	1.1
96.96008	21.3
96.96980	1.0
101.02466	1.3
109.02942	0.5
109.06604	1.4
111.04488	0.3
113.02441	0.6
119.03471	0.4
119.05011	0.9
125.02430	1.3
133.26341	0.4
134.97560	0.4
135.04526	0.6
137.02397	0.4
145.02914	0.4
149.93422	0.3
152.35274	0.3
161.04520	0.3
163.11266	1.3
163.81506	0.3
164.98534	0.5
165.12837	0.8
169.01428	1.4
173.04556	0.6
179.03525	0.5
191.05617	4.1
191.10742	0.4
199.09767	0.7
203.03427	0.4
207.10265	2.8
209.11823	18.8
210.12100	1.3
225.00652	1.0
225.11240	1.0
227.12866	1.5
237.05379	0.4
249.03986	0.4
253.09221	1.0
258.99353	0.4
275.01993	0.5
300.99829	1.1
307.08572	0.5
308.50760	0.3
345.21375	0.3
525.16058	0.5
545.24634	0.4
736.99670	0.4
767.31775	1.4
785.32532	42.8
786.32922	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	785.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92445	0.5
59.01373	2.4
61.98823	0.7
65.00326	0.6
67.01877	0.9
69.03461	0.8
69.31275	0.5
69.49957	3.3
71.01375	1.8
73.02937	0.7
83.01389	0.7
83.87383	0.6
85.02940	7.0
87.00879	2.1
89.02428	0.6
93.03449	5.9
95.01411	0.6
96.23701	0.5
96.30322	0.6
97.02854	0.5
98.19939	1.0
99.00860	0.6
101.02431	0.6
107.01369	2.0
108.02151	1.0
109.02955	2.4
111.04494	1.7
113.02428	0.8
119.04165	0.7
119.05022	14.1
120.05394	0.6
121.02965	2.4
125.02438	2.0
127.03990	1.4
135.00891	0.5
135.04475	0.7
141.68405	0.5
148.01688	0.6
151.00352	10.5
155.03407	1.0
158.76315	0.5
159.04520	0.5
161.02390	0.6
163.00331	2.4
163.03989	21.8
164.01271	0.6
164.04338	1.2
166.14873	0.5
167.07152	0.9
169.01447	2.0
173.04532	4.7
178.99876	3.9
191.05600	63.2
192.05962	2.0
211.04008	0.8
227.03468	2.1
230.91347	0.6
231.02974	0.6
243.02942	3.8
244.03284	0.8
245.04504	1.8
249.03935	0.9
254.02196	1.4
255.02966	13.8
256.03445	1.5
271.02451	28.2
272.02966	2.6
273.04041	0.8
283.02560	1.3
299.01926	1.2
300.02716	53.4
300.99927	2.3
301.03427	41.3
302.03738	3.5
337.09277	11.6
338.09689	1.1
353.08817	0.8
447.09286	100.0
448.09641	12.7
785.39569	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	785.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.8
59.92169	0.7
63.02405	0.8
65.00320	1.3
67.01877	1.2
69.03434	0.9
69.25785	5.0
69.26187	1.8
71.01366	4.2
80.74283	0.7
83.01434	1.2
83.05016	0.8
85.02937	6.7
87.00875	2.5
87.27045	0.9
89.02415	1.5
90.45313	0.8
93.03451	9.0
95.01346	1.1
101.02422	1.1
107.01360	2.0
108.02179	0.8
109.02924	2.9
111.04485	2.9
113.02413	3.0
119.05022	41.5
120.05343	2.6
121.02950	3.1
123.00850	1.5
125.02401	2.2
127.03984	0.9
135.04498	0.8
137.02402	2.4
150.03142	1.5
151.00362	9.6
155.03458	2.4
161.02388	1.0
163.00342	2.8
163.04005	74.6
164.04312	3.0
165.01927	5.0
167.07149	1.3
167.80963	0.8
169.01372	2.2
173.04578	6.8
178.99904	5.8
181.05042	0.8
191.05608	35.8
192.05937	2.2
193.01550	0.8
203.03380	1.3
211.04001	1.0
215.55505	0.7
227.03500	1.7
228.04068	0.8
229.04974	1.2
243.02965	3.8
249.03935	1.2
255.00525	1.3
255.02962	13.5
256.03314	1.1
271.02451	24.9
272.02878	3.0
273.03775	1.4
283.02408	1.2
300.02740	54.8
301.00266	1.5
301.03445	42.6
302.03793	3.0
317.02777	1.4
337.09329	16.3
338.09641	2.1
341.02863	6.3
374.18423	0.8
447.09314	100.0
448.09592	14.5
466.96747	0.9
487.08618	2.1
785.38904	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	785.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
57.39962	0.5
59.01373	8.8
61.98822	1.3
66.86190	0.5
67.01883	1.2
69.03458	0.9
69.60093	3.5
71.01381	9.1
72.99291	1.0
73.02950	2.7
75.00876	2.9
77.40823	0.6
83.01368	0.8
83.05019	1.4
85.02950	9.2
87.00879	4.8
88.75582	0.7
89.02449	8.0
93.03448	6.2
96.96001	0.6
99.00887	4.6
101.02443	4.7
105.11982	0.5
107.01408	1.2
109.02947	2.3
111.00845	0.6
111.04501	2.7
113.02477	2.5
119.05019	10.9
121.02922	0.8
125.02471	2.9
125.03220	0.5
127.04006	2.3
129.01921	0.7
130.28561	0.6
131.03482	5.3
132.65628	0.6
133.02975	1.2
135.04535	2.1
135.11853	0.6
137.02422	1.4
142.63222	0.6
147.08167	8.0
149.04509	1.6
151.00356	3.3
155.03513	2.9
161.02438	1.7
163.04008	12.4
168.00677	0.5
169.01405	2.6
173.04561	11.1
174.04817	0.6
178.99876	1.5
179.03519	1.6
191.05618	100.0
192.05959	4.1
211.04033	0.8
227.03526	1.4
243.03003	1.0
255.03030	5.3
271.02454	9.3
272.02881	1.2
284.03192	1.1
285.04135	1.1
299.16507	1.7
300.02725	18.1
300.99872	1.6
301.03436	14.4
301.18097	1.6
302.03702	0.8
313.03137	0.6
337.09265	5.0
338.09518	0.7
352.07703	0.6
353.08743	8.6
354.09167	0.9
431.09103	0.8
447.09320	29.7
448.09698	3.9
593.13257	1.5
611.27063	18.8
612.27441	2.7
615.09558	0.7
785.32721	10.1
786.33380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
61.98829	27.4
65.03560	0.5
71.01402	1.2
71.33122	0.6
77.03993	0.7
78.95922	0.9
95.01349	0.6
108.90176	1.0
113.02487	0.7
116.92850	1.2
120.61869	0.6
121.02954	100.0
122.03294	3.9
124.10021	0.5
125.02459	1.2
161.12299	0.6
165.01927	2.5
169.01495	0.7
169.12248	0.6
173.47920	0.6
181.05164	0.6
181.06590	2.5
191.03519	2.3
191.05655	3.3
197.11818	8.7
205.29765	0.6
207.10222	1.0
209.04539	66.3
209.11775	3.0
210.04836	3.2
223.13431	1.5
225.05565	2.0
227.12761	0.7
246.18822	0.6
253.09323	1.6
275.01944	0.8
289.18124	1.3
291.19632	1.8
293.21323	1.0
300.99982	2.3
309.20740	3.4
313.07065	5.5
341.23166	0.8
357.06100	1.7
401.08792	11.4
402.09259	1.2
785.39935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
80.96503	1.2
91.43675	0.1
94.98083	0.2
101.50848	0.1
117.62613	0.1
153.11067	0.1
200.30920	0.2
207.10281	0.2
317.40067	0.2
784.42773	0.7
785.39270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83547	0.2
61.98828	100.0
62.98537	0.2
71.01392	0.2
73.15051	0.2
79.95737	0.2
80.96510	1.4
94.98115	0.4
98.19933	0.4
152.98503	0.2
164.98622	0.3
225.00749	0.2
275.21188	0.2
293.90222	0.2
605.95728	0.2
784.42871	0.7
785.37836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98829	100.0
71.01396	0.6
73.02937	0.2
78.95929	0.3
78.98611	0.6
79.95743	1.0
80.96516	5.3
82.96084	0.3
84.95154	0.1
85.02968	0.2
85.63744	0.1
85.97498	0.1
87.00891	0.2
94.98096	1.2
97.02943	0.1
101.02499	0.2
106.98082	0.2
122.97575	0.2
125.02465	0.2
134.97592	0.4
136.99135	0.2
146.97609	0.1
148.99124	0.4
152.98631	0.5
162.86163	0.1
164.98672	0.8
188.23494	0.1
206.99699	0.2
209.11774	1.2
210.12157	0.3
225.00748	1.3
226.01170	0.1
227.12898	0.2
277.21738	1.2
278.22021	0.6
740.39929	0.1
783.41681	0.3
784.42255	5.5
785.38916	2.2
786.19763	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	784.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96459	0.1
59.35944	0.1
61.98829	100.0
62.99260	0.1
69.29729	0.9
71.01401	0.1
71.19170	0.1
78.91878	0.1
78.95943	0.1
79.95766	0.2
80.35464	0.1
80.96535	0.3
88.98811	0.2
94.98118	0.3
96.96008	0.4
96.96968	0.1
125.02477	0.2
135.04518	0.2
169.01517	0.2
191.05672	0.4
192.33838	0.1
209.11830	0.1
220.26125	0.1
229.01402	0.1
275.01901	0.1
290.32791	0.1
300.99985	0.4
322.73245	0.1
482.61676	0.1
711.20007	0.1
728.77948	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	784.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46780	0.2
59.01368	0.4
61.98827	100.0
62.98537	0.3
65.30027	0.1
69.45179	1.4
71.01395	0.2
78.95878	0.4
79.95707	0.2
83.05013	0.2
85.02953	0.3
88.98827	0.3
95.01398	0.3
96.96011	1.4
96.96954	0.4
97.02984	0.2
101.02442	0.3
107.01362	0.2
109.06607	0.2
119.97878	0.2
121.12218	0.2
123.00920	0.2
125.02450	0.8
126.90438	1.5
134.71085	0.2
136.52492	0.2
145.02960	0.2
161.02437	0.2
163.11292	0.2
166.99850	0.2
169.01459	0.7
171.10211	0.9
191.05634	0.7
193.12390	0.2
203.03529	0.3
207.10400	0.5
209.11833	1.3
211.13403	0.2
221.11839	0.5
222.09633	0.2
225.11418	0.7
229.01442	0.2
230.02097	0.2
231.02966	0.4
239.13004	0.2
247.02608	0.2
249.04077	0.6
249.50346	0.2
253.09348	0.6
275.01996	0.7
300.99844	1.3
301.79034	0.2
321.20990	0.2
327.21921	0.4
341.23395	0.7
450.99106	0.2
532.23438	0.2
765.06439	0.2
785.08966	0.2
785.42047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98531	0.1
63.99249	0.2
68.99566	0.5
80.96519	0.3
85.48193	0.1
96.96004	0.3
98.75752	0.1
109.23632	0.1
112.98596	0.4
119.97315	0.1
125.02510	0.2
209.11879	0.2
225.00644	0.1
229.66302	0.1
249.04089	0.1
273.00394	0.1
779.14636	0.1
784.34680	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	784.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98829	100.0
62.98529	0.1
66.59406	0.1
68.99557	0.2
71.01376	0.1
71.76031	0.1
78.00148	0.1
78.91901	0.1
78.95924	0.2
80.91692	0.1
80.96523	0.3
85.11714	0.1
87.30624	0.1
88.98832	0.1
93.03445	0.1
94.98077	0.1
96.96031	0.6
96.96976	0.1
98.19917	0.2
107.01338	0.1
112.98563	0.2
120.88531	0.1
123.00966	0.1
125.02458	0.2
139.04024	0.2
151.00366	0.1
159.28360	0.1
164.98576	0.1
169.01370	0.1
171.10306	0.2
187.37473	0.1
191.05658	0.2
209.11789	0.2
225.11307	0.2
249.04131	0.1
275.02014	0.1
293.91656	0.1
300.99979	0.3
301.03641	0.6
477.06799	0.1
504.27414	0.1
537.74603	0.1
784.34637	0.2
785.36755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65559	0.8
61.36525	0.8
61.62986	0.9
61.98808	1.4
63.96238	1.6
69.31258	7.3
71.01375	9.7
73.02944	2.5
78.95893	2.9
78.98587	9.1
79.35407	0.8
79.95285	1.3
79.95731	16.5
80.96512	89.1
82.96098	2.6
85.02939	3.4
87.00860	3.1
89.59142	0.8
94.98084	20.5
96.96019	1.1
97.02931	2.2
101.02441	3.1
106.76281	0.8
106.98051	4.9
122.97571	4.3
125.02420	3.2
126.86707	0.8
127.03968	1.1
127.64184	0.8
134.97568	5.2
136.99100	2.3
139.66626	0.8
146.97627	1.1
148.99136	8.3
152.98592	6.5
162.08804	0.9
164.98631	18.4
201.11270	1.6
206.99655	3.1
209.11678	1.4
210.12088	1.9
215.95755	0.8
225.00731	26.2
255.23299	2.1
256.23663	1.0
259.57108	0.9
483.15198	2.6
527.17712	2.3
537.27411	1.4
646.97241	1.0
707.73224	0.9
739.39685	3.9
765.40900	2.2
783.41882	100.0
784.42218	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21555	0.6
72.67571	0.4
74.38336	0.4
95.01357	1.0
101.55753	0.4
117.03493	0.7
119.05010	0.7
123.00878	1.9
125.02432	1.7
129.03496	1.1
133.02977	0.5
135.04512	0.5
141.01973	0.4
145.02962	2.6
147.04538	2.0
157.02945	1.4
159.04518	1.2
161.02481	1.1
163.04013	1.6
166.99841	0.5
169.01413	0.8
173.02420	3.6
175.03983	2.9
177.01981	0.7
181.64056	0.5
185.02470	3.8
186.02989	0.5
189.01920	1.2
190.02617	0.6
191.03479	2.5
191.05547	1.4
199.00267	0.5
200.01157	0.6
201.01909	5.8
202.02409	0.6
203.03487	5.2
205.01361	0.5
213.01906	1.6
217.01424	1.8
219.02937	1.1
226.99693	1.0
228.00630	0.5
229.01372	12.8
230.01845	1.1
231.02927	3.9
245.00813	3.2
247.02458	1.6
249.03992	3.9
257.00879	9.8
258.01627	3.6
273.00363	1.9
274.01117	1.0
275.01950	31.4
276.02200	1.4
283.99615	3.7
299.99088	3.3
300.99869	100.0
302.00262	8.2
421.04263	0.5
441.94632	0.5
463.05029	0.7
481.06165	5.5
482.06363	0.7
765.05042	0.9
783.06750	25.4
784.06964	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	781.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.1
61.98835	3.1
69.03434	1.2
70.25555	2.1
70.25936	2.9
71.01376	9.3
73.02943	1.8
78.98601	9.1
79.95737	17.6
80.96516	94.0
82.38156	1.1
82.96060	1.3
83.94176	1.2
85.02937	3.5
87.00847	3.3
94.98083	18.9
96.95983	1.7
101.02446	2.8
106.98076	5.1
122.97614	7.2
125.02411	2.4
134.97569	6.4
148.99127	7.7
152.98575	7.5
164.98611	13.1
206.99661	3.5
211.13531	1.4
225.00735	24.8
226.01001	1.5
255.23245	2.5
280.13870	1.3
318.73392	1.2
369.29401	1.4
489.00342	1.3
537.27478	2.0
585.87024	1.5
686.78430	1.4
757.31616	1.4
781.44019	100.0
782.44293	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	782.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.1
60.99306	0.3
61.92330	0.1
61.98830	100.0
62.98537	0.2
71.01416	0.2
72.99328	0.2
73.98342	0.1
78.06186	0.1
78.95911	0.2
88.98816	2.2
89.99146	0.1
94.98064	0.2
96.96017	1.0
96.96996	0.2
98.19788	0.2
105.44171	0.1
107.17973	0.1
132.48233	0.1
135.04475	0.1
136.89287	0.1
147.09019	0.1
161.02423	0.2
169.01395	0.1
209.11900	0.2
301.00006	0.2
542.88959	0.1
782.37494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98539	0.1
62.99258	0.1
63.99249	0.1
69.66133	0.6
72.99314	0.2
78.95925	0.3
79.95743	0.2
83.05025	0.2
86.00778	0.1
88.98806	0.6
96.96029	0.2
96.96967	0.1
97.02976	0.1
97.24478	0.1
123.00874	0.1
124.57962	0.1
125.02429	0.1
128.69447	0.1
140.01128	0.1
167.14268	0.1
169.01457	0.2
191.05681	0.4
206.29878	0.1
209.11763	1.0
210.12309	0.1
211.13446	0.3
225.14940	0.1
227.12929	0.3
239.12894	0.2
273.17123	0.2
274.17499	0.1
300.99991	0.3
343.25009	0.3
477.23264	0.1
540.59137	0.1
704.74158	0.1
750.42987	0.2
782.45746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98830	100.0
62.98548	0.2
63.96254	0.2
69.21535	0.1
71.01369	0.6
71.39530	0.2
78.95906	0.4
78.98603	0.5
79.95735	3.7
80.28529	0.1
80.96515	5.2
81.35600	0.2
82.96113	0.3
87.00889	0.2
94.98080	1.2
101.02428	0.2
106.98080	0.1
122.97602	0.3
125.02445	0.2
126.02824	0.1
134.97588	0.4
148.99170	0.5
152.98621	0.3
164.98598	0.8
181.18825	0.2
204.21936	0.1
206.99707	0.2
209.11890	0.2
210.12076	0.2
222.15971	0.2
223.13249	0.2
224.13594	0.3
225.00723	1.5
226.01028	0.3
227.00192	0.2
227.60757	0.1
241.01160	0.2
255.23430	0.3
263.00027	0.1
277.21640	0.3
279.22470	0.2
337.30420	0.1
341.05368	0.3
434.28290	0.2
764.39978	1.7
765.40155	0.5
781.40942	0.2
782.40845	4.8
783.41010	1.5
789.48572	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	781.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.6
71.00938	1.4
71.01378	3.5
78.95903	44.4
78.98595	1.4
79.95280	1.0
79.95735	13.4
80.02673	0.8
80.96516	23.7
81.03445	1.6
83.04587	0.7
83.05005	3.9
84.02155	1.2
85.02950	1.1
87.00866	1.2
94.98060	5.2
95.04982	0.8
96.96961	9.9
106.98105	1.0
122.97572	1.5
125.02419	0.8
134.97597	1.7
148.99086	2.0
152.98567	1.3
152.99614	8.5
161.04529	0.9
163.11308	3.7
164.98628	2.6
165.12825	1.5
206.99693	1.3
209.11813	41.0
210.12144	2.6
223.00130	2.7
225.00714	7.6
227.12875	4.6
241.01178	23.7
242.01582	1.0
255.23279	23.2
256.23608	2.4
259.02188	1.8
297.03827	1.1
363.12216	1.8
391.22406	1.6
425.14963	1.1
467.18201	0.7
525.17316	1.5
537.27350	1.2
553.27576	2.0
677.20673	0.7
763.39294	6.0
764.39667	2.2
781.41132	100.0
782.41510	26.2
782.52759	0.6
807.40118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4407
Annotation	lugdunin
Peak:m/z	Relative Intensity
56.06438	0.6
59.01368	0.8
63.84623	0.6
63.96240	2.3
69.03451	0.7
71.01380	10.7
73.02937	2.2
78.95918	1.2
78.98591	7.6
79.95737	21.1
80.62282	0.6
80.96518	100.0
81.03460	1.3
82.96071	0.7
85.02953	3.8
87.00863	3.6
91.77113	0.7
93.92390	0.6
94.98090	21.1
96.96024	1.6
97.01144	0.7
97.02954	2.7
99.00919	0.8
101.00229	0.6
101.02446	3.8
106.98087	4.4
122.97589	7.8
125.02442	3.4
127.03996	1.5
134.97591	6.5
136.99141	2.3
148.99107	8.1
152.98637	7.8
164.98631	15.8
179.27481	0.7
190.88763	0.7
206.99716	3.8
211.13390	1.9
225.00739	24.3
226.01146	1.0
229.26785	0.7
255.23236	1.6
369.55490	0.7
525.20087	2.3
537.27240	1.2
763.39532	1.6
781.43982	98.8
782.44324	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	781.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60638	0.9
59.01380	1.7
61.98828	53.8
63.96232	1.8
69.03456	1.4
69.17728	1.1
69.18065	9.3
71.01381	11.5
72.18357	0.9
73.02953	3.5
74.45405	0.9
78.91885	3.9
78.95908	9.1
78.98591	7.4
79.95736	52.7
80.96516	100.0
81.03467	1.0
82.96068	1.6
85.02945	4.1
87.00869	3.7
92.26671	0.8
94.98089	23.1
96.95998	1.8
96.96958	1.9
97.02929	2.5
101.02426	2.9
106.98087	4.9
109.06590	1.4
122.97572	3.5
125.02476	4.5
127.03974	1.3
127.19201	1.1
134.97546	6.5
136.99127	3.9
148.99159	8.2
152.98599	7.6
152.99632	1.3
157.64316	0.8
160.78476	0.8
161.04610	0.9
164.98624	16.0
165.59924	0.9
199.13342	1.2
206.99686	6.1
207.10265	1.7
209.11789	3.9
223.13313	2.2
225.00737	32.7
226.01079	1.7
241.01035	3.6
255.23286	6.5
256.23654	1.1
277.21951	1.2
283.04742	1.1
341.05438	2.8
425.15002	2.8
525.16565	1.6
537.27325	4.1
637.32080	1.3
679.36963	2.2
763.39453	27.8
763.53168	1.6
764.39526	7.0
781.40491	98.6
782.40747	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	781.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90200	0.6
59.01368	1.3
61.98818	1.8
63.96230	1.4
67.87859	0.5
69.03466	1.1
70.58899	1.9
71.01379	7.7
72.43342	0.6
72.99329	0.6
73.02943	1.0
78.95898	2.0
78.98587	5.3
79.95734	100.0
80.42635	0.7
80.96512	73.1
85.02946	2.4
86.97684	0.6
87.00880	2.2
94.98084	14.9
95.01379	0.6
96.96019	2.1
97.02960	1.8
99.00905	0.8
101.02451	1.6
106.98071	3.3
111.94709	1.1
113.65861	0.6
122.97581	4.2
125.02460	2.8
127.03999	1.3
134.97563	5.9
136.99138	3.3
148.99129	6.0
152.98598	6.7
160.82101	0.5
161.04518	2.3
164.98618	11.9
179.00139	1.2
179.98994	0.6
199.43896	0.6
200.49606	0.5
206.99702	3.5
207.10295	0.8
209.11868	0.6
224.00093	1.1
225.00731	25.5
241.00218	3.5
255.23276	2.4
281.03516	0.6
283.04868	2.1
315.12845	0.6
341.05423	6.4
349.41006	0.6
355.07022	1.5
364.13773	0.6
397.11716	0.9
425.14868	6.8
426.14865	0.6
507.15189	1.0
511.18774	0.7
513.05182	0.6
525.16272	0.7
531.49042	0.6
535.42059	0.7
537.27454	6.1
555.28198	0.8
564.92859	0.6
609.29425	2.1
623.31177	1.1
637.32581	2.6
665.35944	0.9
679.37341	2.1
719.41028	0.7
735.40619	1.4
763.39355	34.2
764.39465	8.9
781.40430	32.2
782.40979	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	781.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.7
59.78015	1.0
67.98434	1.2
69.25026	6.8
69.25448	3.3
71.01384	1.2
78.95903	53.6
89.02444	3.0
96.96047	13.9
96.96960	100.0
98.20602	2.4
99.97253	1.1
100.54942	1.0
113.02464	1.6
143.18996	1.1
155.95775	1.5
179.05600	1.5
180.58662	1.0
312.45883	1.4
341.10892	8.9
439.08536	23.6
440.09058	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	781.4044
Annotation	Withanoside VI
Peak:m/z	Relative Intensity
57.48558	0.8
61.98833	1.4
63.96234	2.4
64.04350	0.8
71.01379	10.5
71.28131	1.2
73.02946	1.8
77.67950	0.8
78.95906	5.3
78.98583	8.9
79.95734	80.7
80.96515	100.0
83.01376	1.1
83.02171	0.8
85.02947	3.3
87.00866	3.4
92.42474	0.8
94.98078	23.5
96.56461	0.8
96.96021	2.5
96.96967	0.8
97.02937	2.9
101.02439	2.4
105.92220	1.0
106.98087	5.5
113.02482	1.3
122.97572	6.1
125.02435	4.9
127.04064	1.9
128.88237	1.0
134.97563	8.8
136.99126	2.9
148.99135	9.9
152.98604	9.3
152.99600	1.2
155.30402	0.8
161.04549	1.6
163.11304	0.9
164.98631	16.7
188.98642	1.1
206.99611	5.7
207.10362	0.8
209.11789	4.7
223.99921	1.5
225.00723	30.8
226.01094	1.6
227.12808	1.1
241.00528	2.7
243.01656	1.0
255.23270	4.0
283.04782	2.0
320.21869	0.9
341.05481	4.3
355.07227	2.0
425.14969	3.9
507.15298	2.3
525.16467	0.9
537.27142	5.0
538.27698	1.2
587.65576	1.1
609.29706	1.3
637.32483	2.2
665.35394	1.4
679.37006	2.0
763.39380	52.8
764.39594	10.3
781.40491	77.5
782.40723	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	780.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
59.84365	0.1
60.99301	0.3
61.98829	100.0
62.19120	0.2
62.98520	0.2
63.45875	0.1
63.63485	0.1
69.94414	0.5
71.01395	0.3
72.99303	0.3
78.95901	0.2
81.56225	0.2
83.92651	0.2
85.02954	0.2
88.98800	2.4
89.02475	0.3
96.96027	0.2
105.01966	0.2
116.92860	0.2
124.38786	0.1
161.02478	0.5
176.04787	0.2
191.05652	0.4
207.10240	0.2
209.11810	0.7
211.13411	0.4
227.12785	0.2
242.50305	0.2
274.17313	0.2
293.06802	0.4
301.14706	0.3
304.69162	0.2
338.42267	0.2
352.66129	0.1
472.58572	0.2
487.34164	0.7
510.83014	0.2
781.34479	0.2
781.42334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	59.5
68.55893	1.6
69.03458	73.5
71.01382	21.0
82.67290	1.5
85.02962	3.9
89.02454	18.1
95.01392	2.0
95.05022	17.6
96.29517	1.5
101.02438	10.2
106.04237	5.1
113.02452	8.0
119.03493	6.9
121.02930	5.7
121.06594	32.2
123.04504	3.7
139.00381	4.9
139.07643	3.6
165.05573	9.2
183.06604	3.9
191.37288	1.5
209.04527	5.9
211.05397	1.7
234.44247	1.5
345.11874	16.6
346.12411	2.3
389.10886	100.0
390.11172	11.8
557.60028	1.8
771.62219	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	779.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74910	0.2
59.01373	0.3
59.39336	0.2
60.99305	16.4
61.98821	0.6
63.99596	0.2
71.01388	0.6
72.99313	0.3
75.00849	0.3
87.00888	0.3
87.89571	0.2
88.98802	100.0
89.02437	0.7
89.99144	0.7
116.92874	0.3
131.16443	0.2
159.43336	0.2
171.10286	0.2
191.05614	0.9
207.10257	0.4
209.11792	0.9
420.35123	0.2
627.21228	0.2
779.35248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01380	21.4
61.98831	22.2
63.96256	1.0
67.20899	0.6
69.03461	1.6
69.80598	2.7
71.01386	5.6
73.02956	2.1
78.95903	16.2
78.96328	1.2
78.98631	1.9
79.60475	0.6
79.95741	4.4
80.96517	22.7
81.03442	1.0
83.05000	1.1
83.52571	0.7
85.02983	1.8
85.06567	0.8
87.00892	2.3
89.02470	3.3
93.03475	0.8
94.98075	5.8
95.05008	0.8
96.96977	3.3
97.02972	1.6
101.02448	3.9
106.19112	0.7
106.98107	1.1
109.06600	5.5
113.02404	1.4
117.15472	0.6
122.97605	1.2
125.02420	1.4
134.97581	1.7
135.08208	0.7
142.28015	0.7
148.07983	0.7
148.99146	1.5
149.09785	1.2
152.98572	1.5
152.99626	2.6
161.04570	1.9
163.11284	2.9
164.98622	4.2
167.10773	1.9
169.55511	0.7
179.05559	1.0
179.10780	1.8
179.14401	2.0
181.12401	1.1
195.13890	6.1
197.11890	1.6
201.37643	0.6
205.12320	6.9
207.10249	6.2
212.64410	0.7
219.58359	0.7
223.00037	0.8
223.13383	73.0
224.13745	5.3
225.00752	7.3
225.11327	3.0
235.08194	5.1
236.08563	0.7
241.01178	6.9
253.09303	8.4
255.23268	9.8
259.02063	0.7
277.21704	100.0
278.22009	8.6
297.03604	0.9
391.22446	1.3
441.21271	2.9
459.22394	6.1
460.22726	1.0
494.77414	0.8
513.30756	1.5
523.15936	0.9
612.40094	0.7
719.43274	1.5
779.39258	42.5
780.39465	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	777.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07642	4.0
55.92189	4.6
56.02478	4.1
59.01350	6.0
60.74446	4.8
61.98825	30.8
69.36208	15.2
69.36627	26.2
71.01385	5.1
78.95907	30.7
85.02977	4.4
93.03454	10.4
96.25746	4.5
98.20789	5.3
152.99579	8.4
171.10239	12.0
173.04581	6.0
191.05608	49.1
193.77328	5.1
201.11316	31.4
209.11852	68.7
210.12103	8.8
211.13329	7.5
225.11226	8.1
227.12846	11.0
235.08160	13.5
253.09264	12.7
255.23384	5.8
270.10101	5.4
277.21704	100.0
278.22128	12.2
293.21445	5.9
529.25287	13.4
529.75653	20.1
530.25739	7.0
615.89923	5.6
697.42120	6.3
777.42084	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	779.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00122	1.3
59.01382	1.7
63.02389	1.9
64.83916	1.1
65.00318	3.6
71.01392	2.8
83.01361	1.5
85.02944	1.5
98.20696	2.2
98.29179	1.1
107.01389	6.4
109.02966	2.3
121.02969	4.3
149.02422	1.5
151.00362	25.1
163.00400	3.7
169.01492	1.6
173.02423	1.9
178.99849	14.1
211.03972	1.9
229.01480	1.8
245.00815	1.9
245.04411	2.1
255.03033	3.4
257.00748	1.5
273.04034	3.1
283.02539	2.4
299.99188	2.6
300.99872	50.2
301.03510	100.0
302.00204	5.4
302.03860	8.4
465.41275	1.3
477.06693	57.8
478.07144	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	777.41
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54562	0.8
61.98819	1.9
63.96229	1.2
69.03453	1.0
71.01374	8.6
73.02938	0.9
78.95482	1.4
78.95902	17.1
78.98589	5.5
79.95735	15.4
80.96515	71.3
85.02940	2.3
87.00866	3.5
94.97499	1.0
94.98087	15.6
96.96015	1.5
96.96958	2.8
97.02917	1.6
98.20776	1.5
101.02447	1.8
106.56628	0.8
106.98065	2.6
111.51018	0.7
113.51414	0.7
115.86668	0.8
117.02255	0.8
122.97565	9.3
125.02447	4.1
134.97594	5.3
136.99156	1.2
144.46404	0.7
148.99109	4.7
150.97012	0.9
152.98541	7.0
152.99599	3.5
164.98610	11.8
195.13863	2.1
196.89462	9.4
197.89400	0.8
205.12439	0.9
206.99655	2.4
223.00099	1.1
223.13393	5.9
225.00708	17.9
226.10789	0.8
241.01208	4.9
255.23302	11.1
256.23663	0.9
391.22403	1.1
507.15240	1.2
521.17157	1.1
553.27643	1.2
741.57178	1.3
747.35925	1.2
777.41162	100.0
778.41315	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	25.9
60.99298	12.1
61.98824	99.4
64.08247	3.5
65.26729	4.0
71.01385	9.6
71.52660	8.8
78.95909	6.6
81.03444	5.4
83.05029	7.8
85.02940	8.7
87.00880	13.5
88.00403	5.0
88.98804	82.5
89.02439	11.9
93.03452	9.5
96.95998	8.4
97.02945	7.0
101.02421	9.7
109.06589	32.1
113.02417	5.4
116.92845	8.6
120.99664	5.6
121.06587	4.1
123.00999	3.9
125.02443	5.7
133.02933	13.2
135.08168	9.5
150.84224	4.2
163.11282	26.2
169.01447	6.3
169.21643	4.2
171.10229	6.2
177.01918	90.3
178.02321	5.1
185.11835	5.8
185.31497	3.9
189.09154	3.7
191.05573	31.0
191.07079	5.3
199.26797	4.9
207.05772	4.1
207.10245	96.6
208.10669	5.2
209.11816	54.9
210.12064	6.2
211.13382	8.0
221.11990	4.0
225.11328	32.5
227.12859	9.6
235.08142	5.6
239.12798	26.0
253.09216	20.5
271.15485	9.0
273.17047	100.0
274.17340	13.8
280.66803	4.4
300.99869	5.9
443.18997	10.4
461.20126	7.7
465.30182	5.2
509.26196	4.5
537.86530	4.3
694.83978	5.0
717.36829	36.8
738.00348	4.3
777.36951	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	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98531	0.2
71.15134	0.2
89.25239	0.1
120.04400	0.1
218.53276	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	777.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.0
61.98829	11.3
67.01883	1.5
71.01384	1.4
78.95906	9.0
79.95721	3.1
85.02925	1.7
88.98811	1.9
89.02454	2.4
93.03459	3.6
95.80309	1.4
96.96009	68.9
96.96931	10.4
97.95903	1.3
98.20765	2.8
98.95586	17.4
98.96374	2.7
109.02940	3.1
121.02951	6.1
122.03814	1.7
125.02456	1.5
135.04509	4.0
136.01669	3.3
137.02440	17.8
145.02951	1.8
147.04538	1.8
149.02481	3.6
150.03217	15.8
151.00336	4.3
151.03957	2.8
161.02385	2.8
161.06023	1.6
162.78886	1.3
163.04021	7.0
164.01093	2.1
164.04727	2.3
165.01926	100.0
165.05534	10.6
166.02505	7.7
168.28931	1.5
169.01332	1.5
175.04001	9.2
177.01997	1.7
177.05545	4.2
179.03481	23.6
180.04268	62.1
181.04977	7.9
187.03911	1.4
189.05591	6.7
190.06351	13.7
191.05698	10.1
191.06863	9.0
192.04340	2.6
192.05922	1.8
193.04999	5.2
194.05841	14.0
195.03009	3.2
195.06615	83.9
196.06923	4.4
199.62468	1.2
203.07178	1.6
205.08647	11.7
207.06618	7.8
208.07426	9.2
209.08109	2.5
210.05319	10.3
222.08887	1.5
225.07687	48.4
226.07982	3.7
229.14458	1.7
229.82686	1.8
241.01369	2.3
270.01379	1.4
271.02261	2.8
272.63168	1.4
279.71048	1.5
299.01877	4.7
300.02698	5.9
301.03467	10.4
302.03699	1.6
344.12701	3.0
345.13477	2.1
357.13333	2.5
358.14288	3.1
359.10513	3.0
359.14987	46.5
360.15213	5.3
388.15021	4.2
389.15961	8.9
401.15863	4.5
419.16827	1.7
445.07819	2.1
447.09338	12.2
546.25861	1.6
549.21161	3.7
552.19629	2.9
567.22308	51.6
567.31476	2.8
568.22522	12.3
597.23260	4.5
615.24445	42.3
616.24866	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	777.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
60.05502	0.3
60.99305	18.2
61.98825	3.8
65.67323	0.3
66.01072	0.3
67.94766	0.3
69.89682	0.3
71.01373	0.8
71.07360	0.5
72.80164	0.3
72.99300	0.6
78.95906	0.5
82.21616	0.3
85.02956	0.7
87.00879	0.7
87.59013	0.3
88.00421	0.8
88.98804	100.0
89.02417	1.3
89.99131	1.3
91.99451	0.3
93.03476	0.6
96.96021	0.3
101.02447	0.6
109.06569	0.5
114.02387	0.3
116.92857	0.4
125.02432	0.3
133.01437	0.3
133.02937	0.3
135.04486	0.6
137.02434	0.4
150.44850	0.3
171.10281	0.9
179.03490	0.6
185.11841	1.1
191.05598	2.2
197.11827	0.4
207.10323	0.5
209.11870	1.2
210.12190	0.5
211.13376	1.6
225.11244	0.3
227.63712	0.3
254.71132	0.3
267.98438	0.2
273.17075	0.5
282.70410	0.3
329.23459	0.4
330.23688	0.3
342.66614	0.3
397.13443	0.7
410.52908	0.3
467.21976	0.3
777.35883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35697	0.6
59.01376	5.8
59.89392	0.6
61.98822	3.3
65.03973	0.5
66.09351	0.6
68.71333	0.6
71.00185	0.7
71.01003	1.2
71.01377	12.2
73.02949	0.9
73.67063	0.5
74.59980	0.6
77.81764	0.5
78.95909	5.4
80.02636	0.7
81.03459	1.2
83.01387	0.6
83.05041	1.2
85.02930	1.8
87.00881	1.8
89.02445	2.4
97.02965	2.8
99.00858	1.0
101.02444	4.2
105.30070	0.6
109.06586	12.0
110.03705	0.7
113.02432	1.2
121.06575	1.1
125.09724	0.6
129.01976	0.7
135.08150	1.2
142.02682	1.1
145.05052	1.3
152.99562	2.2
161.04538	2.4
162.20918	0.6
163.11282	6.9
171.10220	1.0
181.12344	2.0
185.11751	0.8
189.09192	0.8
191.05659	1.2
199.09785	0.8
207.10249	43.8
208.10629	2.6
209.11848	3.2
225.11301	17.3
226.11577	1.9
235.08258	6.7
237.25658	0.6
253.09259	11.5
275.20139	1.1
277.21698	100.0
278.22058	11.6
295.22781	1.1
443.19333	2.2
461.20395	4.7
467.31158	0.9
485.32275	0.9
721.41614	12.3
722.41858	6.0
775.47583	2.3
776.47247	1.0
806.43695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.26338	5.0
78.95901	26.5
84.68726	5.3
94.28177	5.4
128.36269	5.5
152.99586	11.4
182.13344	5.7
196.89503	32.4
209.11769	15.7
217.57104	5.6
277.21719	6.3
476.83664	6.2
555.13751	6.0
739.01654	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	1.4
59.01379	12.3
61.98819	4.0
71.01006	1.4
71.01382	15.5
71.16804	1.4
73.02932	1.4
78.95905	11.2
81.03452	2.3
83.05002	2.1
85.02950	3.0
87.00844	1.7
89.02448	4.2
97.02945	4.6
99.00875	1.4
101.02431	5.3
109.06590	33.8
110.03757	1.3
110.06977	1.2
113.02447	3.2
114.05515	1.0
119.03506	1.0
121.06553	1.4
135.08156	2.4
136.05318	1.2
152.99593	4.7
161.09744	2.0
163.11287	17.0
171.10197	5.2
179.05713	1.0
181.12318	4.5
185.11806	1.5
189.09152	2.5
199.09760	4.2
207.10248	100.0
208.10580	7.4
209.11832	8.0
225.11313	51.0
226.11609	3.0
227.12740	1.5
235.08183	3.4
243.12427	1.7
253.09267	17.8
277.21719	84.0
278.22006	6.9
295.22794	1.9
299.15018	1.7
329.05762	1.0
343.24774	1.6
443.19040	5.3
461.20267	21.8
462.20352	1.8
479.24155	2.0
485.32883	1.5
690.00262	1.2
721.41467	17.2
722.42334	9.8
723.42096	1.5
775.47394	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	775.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
55.46772	0.3
57.03441	0.5
57.47227	0.3
58.00591	1.9
59.01377	34.9
60.01707	0.5
60.99301	0.6
63.55323	0.3
67.01884	1.3
69.03454	34.0
70.03783	0.7
71.01380	27.1
71.53121	0.3
71.53475	0.4
72.01700	0.3
72.99306	2.2
73.02939	0.5
77.03971	0.3
79.01895	0.5
81.03434	0.5
83.01379	1.3
85.02940	5.3
87.00870	1.8
89.02440	26.4
90.02772	0.3
93.03455	9.4
95.01383	2.0
95.05026	1.2
97.02946	46.4
98.03284	1.1
101.02435	13.2
102.02792	0.4
105.03450	2.8
105.07045	0.4
108.02172	0.4
111.00842	0.4
113.02441	9.6
119.03487	8.2
119.04948	0.7
120.03858	0.3
121.02957	2.1
121.06577	2.1
122.06934	0.4
123.04520	8.7
125.02413	0.4
131.03499	0.9
131.05069	0.4
134.03720	0.6
135.04517	0.3
141.01962	1.9
143.03499	1.5
147.04536	0.5
149.02492	0.4
149.06070	18.6
150.06387	0.8
157.03282	0.3
157.17661	0.2
161.04561	1.3
167.07115	6.7
168.07495	0.3
169.01451	0.3
175.00372	0.7
177.02042	0.3
179.04025	0.4
179.05609	3.9
191.05598	3.6
193.05042	42.2
194.05399	2.3
211.06120	0.5
234.69458	0.3
258.13306	0.3
301.00012	0.5
373.11356	100.0
374.11731	9.9
419.32306	0.3
463.06354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23768	0.9
59.01378	2.3
61.98819	2.3
71.53421	1.3
83.01402	1.1
86.53873	1.0
93.03468	3.8
95.01342	0.9
109.02972	2.6
111.00849	1.1
119.05037	1.0
121.02965	4.9
122.03745	7.5
123.00851	1.4
124.01678	1.2
133.02948	1.6
134.03735	1.3
135.04503	5.6
136.01660	14.7
137.02455	13.7
139.04042	1.1
147.04485	1.0
149.02441	12.2
150.03229	55.7
151.00386	5.9
151.04010	17.9
152.01129	1.7
160.05383	0.8
163.04024	1.7
164.01147	0.9
164.04771	2.4
165.01923	62.7
165.05566	53.6
166.02722	17.3
166.05856	1.9
167.03392	3.3
169.01355	1.3
175.03990	2.6
177.01926	1.5
177.84239	0.9
179.02074	1.4
179.03513	14.4
180.04280	38.7
181.05054	21.5
189.05510	1.0
190.06346	2.9
191.03699	1.3
191.05571	10.0
191.07130	1.0
192.04300	2.6
192.05986	0.9
194.05826	3.3
195.02943	2.1
195.06615	100.0
196.06950	5.3
205.05086	1.8
210.05318	6.3
220.07407	1.4
223.06044	0.9
225.07675	42.2
226.07962	1.6
271.02469	2.1
299.01920	2.8
300.02621	0.9
301.03506	2.9
346.16934	0.8
356.12518	1.3
357.09622	2.2
357.13422	6.1
372.12015	2.6
386.13947	1.8
387.14502	33.5
388.14807	3.8
402.13098	1.3
417.15500	16.5
418.16104	2.0
544.58716	1.0
565.20715	37.0
566.21002	6.6
583.21606	1.9
595.21710	1.7
613.22809	23.6
614.22968	6.1
681.11505	1.0
775.24969	1.9
789.24524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97118	4.3
59.01392	6.4
61.98830	19.0
62.86298	4.5
71.01383	7.4
78.95902	19.4
80.96537	6.6
85.91977	4.2
88.98797	13.6
89.02434	5.3
100.06764	3.8
109.06569	21.8
146.24860	4.4
152.99559	11.9
163.11264	8.4
191.05637	10.3
207.10258	100.0
208.10580	7.2
209.11795	10.3
225.11278	31.9
229.24741	4.8
235.08195	11.8
243.49753	4.5
253.09319	26.2
264.09424	4.9
293.21194	95.6
294.21677	11.0
335.00806	4.0
443.18970	14.9
461.20175	19.6
525.33698	5.2
559.44952	5.5
646.41577	4.3
727.45593	4.8
737.40973	54.4
738.41718	13.7
773.38525	24.5
774.40320	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	773.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
61.98825	37.1
70.94953	4.5
71.01366	5.6
71.44134	3.9
71.53503	4.7
74.02467	13.9
78.95922	24.8
80.19005	4.3
85.36814	3.5
89.02446	4.8
96.96027	9.7
96.96956	7.1
103.35792	4.4
103.83526	4.0
111.08156	5.3
117.05871	3.9
127.47224	3.9
150.99821	4.0
152.99580	8.3
169.12392	6.6
171.10323	5.9
191.05594	17.5
207.10243	6.8
209.11826	100.0
210.12062	11.2
211.13310	5.6
225.11343	6.1
227.12924	23.6
235.08231	5.7
253.09271	11.6
256.19193	12.1
264.28403	4.5
291.19656	60.5
292.19928	5.3
293.21161	10.0
294.21649	5.5
366.91379	4.4
383.49786	4.3
445.20526	8.7
527.28131	5.8
773.40802	22.7
774.39709	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	773.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03426	0.9
57.08589	0.3
59.01376	4.6
61.98818	2.1
65.04971	0.3
69.03469	0.4
71.01376	4.1
73.02952	0.9
76.49559	0.3
78.95886	0.5
80.02676	0.9
81.03452	1.8
83.01373	0.8
83.05026	4.6
84.02145	0.8
85.02953	2.5
87.00876	1.0
89.02441	3.0
93.03456	0.5
95.01363	0.4
95.05029	1.1
96.96003	2.4
97.02956	1.0
97.06591	2.7
99.84768	0.3
101.02438	3.3
106.04202	0.3
110.57545	0.3
113.02451	2.1
115.04008	0.3
116.92824	1.3
119.03505	0.9
125.02415	0.5
125.06075	0.6
125.09698	1.2
127.11284	0.8
135.08167	0.7
145.05063	0.6
147.11694	0.4
155.10779	0.9
161.04529	2.2
163.11301	3.3
165.12811	3.1
167.14426	0.4
171.10266	5.0
172.10680	0.4
177.12868	0.8
179.05595	0.9
181.12305	0.6
183.13864	2.3
185.11790	0.8
191.05672	0.4
191.10773	1.1
193.12302	0.8
197.11856	0.6
199.13353	0.6
202.81013	0.3
203.10843	0.3
209.11810	100.0
210.12146	6.7
211.13374	12.7
212.13670	0.5
221.11795	1.8
225.11255	0.4
227.12868	13.6
228.13231	0.7
229.14426	9.8
230.14722	0.7
235.08188	7.2
236.08560	0.6
239.12791	1.2
253.09276	18.5
254.09590	1.0
291.19675	4.4
292.20038	0.4
309.20685	8.1
310.21078	1.1
327.21738	57.8
328.22064	5.8
445.20819	1.6
446.21445	0.4
502.02701	0.3
519.33148	1.0
532.51099	0.4
537.34180	0.6
545.29675	1.1
563.30499	1.9
564.30475	0.3
595.25671	0.3
718.67627	0.4
773.34619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53929	0.2
59.01368	0.6
60.01080	0.2
61.98832	1.9
71.01388	1.6
78.95903	32.0
79.95733	3.6
94.98071	0.5
96.96013	100.0
96.96957	39.5
97.95914	0.3
101.02438	0.3
109.06622	0.2
116.92879	0.3
117.49483	0.2
125.43794	0.2
133.04968	0.2
141.16429	0.2
152.99599	0.2
171.10283	1.8
188.11604	0.2
199.09814	0.3
199.13547	0.2
201.11317	0.6
207.10294	0.5
209.11847	0.9
211.13371	0.4
225.11299	0.5
235.08084	0.3
247.97150	0.2
251.33034	0.2
253.09282	0.6
268.75912	0.2
277.21762	0.4
291.19772	0.2
293.21075	0.9
311.22281	1.5
461.20059	0.2
523.54456	0.2
713.30573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28257	2.2
59.01377	11.2
61.26281	2.4
61.98831	41.2
62.57446	2.5
68.43962	3.1
69.45936	7.8
69.46358	13.0
71.01373	7.1
71.32211	2.7
78.95903	6.4
79.95715	3.1
80.96483	3.5
83.05063	3.3
85.02944	3.0
93.03477	4.5
96.96014	30.2
96.96959	8.2
98.95580	4.4
99.92545	3.7
116.92846	5.5
125.02461	4.8
135.04517	7.4
137.02451	3.5
161.02396	4.1
165.12823	3.5
165.53494	2.7
169.01352	4.5
171.10277	5.3
191.05675	15.4
205.49593	2.6
209.11810	100.0
210.12112	7.6
211.13441	3.7
227.12834	29.2
253.09174	15.0
309.20621	3.1
327.21936	21.4
434.59991	3.0
445.20880	9.1
463.21744	3.5
553.10101	3.1
611.30225	4.0
719.96313	3.7
773.36987	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	772.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84944	0.1
61.98828	100.0
62.98535	0.2
71.01391	0.2
78.95898	0.8
80.96513	0.1
98.20719	0.2
99.92603	0.4
116.92863	3.9
117.01944	0.2
117.92862	1.4
118.92670	0.2
152.99626	0.4
183.73424	0.1
191.05640	0.4
197.11694	0.1
198.12190	0.2
294.21548	0.1
393.76379	0.1
772.44141	0.1
773.43292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
59.55293	0.2
61.98820	0.4
63.40458	0.3
71.01379	1.3
71.53058	0.4
73.02943	0.5
73.61182	0.3
83.05045	0.3
85.02940	5.6
87.00870	1.3
89.02434	0.5
93.03437	3.3
101.02428	0.6
109.02933	0.5
111.04520	0.9
113.02408	0.4
119.05029	0.9
119.57769	0.3
125.02467	0.5
127.03986	0.9
127.54597	0.3
129.02016	0.3
131.02516	0.3
137.02339	0.3
144.84279	0.3
145.02957	1.0
163.04010	1.2
169.01385	0.5
171.02989	0.4
173.04546	1.6
181.25209	0.3
191.05594	100.0
192.05937	4.4
225.84950	0.3
249.03775	0.3
275.01913	0.4
300.99963	1.1
331.17554	0.4
337.09241	24.1
338.09576	2.5
349.18597	0.7
391.19708	1.3
396.47412	0.3
579.14624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01385	13.2
61.98834	10.4
69.68075	6.4
71.01377	9.2
78.95897	9.6
79.81947	1.4
79.95739	1.7
83.05037	4.9
85.02969	2.7
87.00839	2.0
89.02438	3.3
94.98080	2.6
95.05005	2.1
96.95984	1.5
97.06597	1.3
98.20016	2.0
101.02451	3.0
109.06590	1.9
113.02436	2.6
120.49287	1.2
122.97620	2.3
125.09738	1.5
152.99590	3.5
163.11302	5.2
165.12863	2.8
169.12315	1.9
171.10262	10.1
172.10722	1.6
191.05583	3.2
195.13882	5.0
197.11781	6.1
198.12137	2.0
207.10243	4.6
209.11819	100.0
210.12169	5.5
211.13382	5.1
223.13400	3.4
225.11302	4.4
227.12827	10.3
229.14478	1.8
235.08183	3.2
253.09308	15.7
275.20123	3.6
291.19632	4.4
292.20120	1.8
293.21216	51.7
294.21512	6.0
309.20682	4.4
317.99673	1.6
321.53705	1.5
326.18259	1.7
327.21652	1.6
341.23285	1.4
445.20825	2.2
459.19217	1.6
461.20105	1.8
753.40070	2.0
771.40521	8.7
774.23718	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	771.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	19.6
61.98829	58.5
62.92519	6.3
70.07906	17.5
71.01375	55.8
73.65130	5.1
78.95889	33.7
79.17189	4.4
97.01649	5.3
97.02974	5.0
97.06494	5.1
99.00871	17.0
101.02450	5.1
109.06585	26.5
152.99562	20.7
156.75325	5.6
162.89032	5.4
163.11287	18.0
166.66594	4.4
171.10228	21.7
181.12343	12.1
199.13354	15.9
207.10231	100.0
208.10612	8.2
225.11298	70.6
226.83998	5.3
243.12189	8.9
253.09297	16.0
255.23367	6.0
277.21695	92.8
278.22061	13.5
331.55722	4.8
461.20279	15.2
721.41827	9.0
725.59235	6.3
739.42316	27.9
771.45294	55.7
772.45636	10.2
786.40820	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	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.0
57.03427	2.1
59.01377	13.5
61.89752	0.7
61.98830	11.7
69.03445	2.2
69.19971	4.5
69.20400	3.5
69.32038	0.7
71.01376	8.6
71.05008	2.1
73.02940	2.6
78.84089	0.8
80.02683	1.8
81.03448	2.2
82.95457	0.8
83.01373	1.7
83.05023	7.9
84.02181	1.3
84.76041	0.7
85.02946	7.7
87.00853	2.1
89.02448	5.7
93.03472	0.9
95.01378	1.1
95.05029	2.1
96.95997	3.7
97.02963	5.8
97.06589	3.1
98.20621	1.6
99.00881	1.1
101.02422	6.5
107.05035	1.3
109.06588	29.1
110.06945	1.4
113.02424	3.5
119.03458	1.1
121.06601	2.2
123.04521	1.5
125.02409	1.2
125.06091	1.3
125.09728	1.4
127.07687	1.4
127.11317	0.9
135.08154	3.1
137.09720	1.5
142.02731	1.1
153.09154	0.9
155.10747	1.3
161.04520	3.3
161.09714	1.7
163.11284	15.4
165.12877	2.3
169.12318	1.3
171.10258	19.6
172.10635	1.2
177.12862	1.0
179.10858	1.0
181.12372	4.7
183.13831	2.8
185.11787	1.7
189.09219	1.1
193.12280	1.0
197.11839	15.2
199.13390	1.7
201.11264	0.9
207.10248	55.9
208.10602	5.3
209.11818	100.0
210.12141	5.8
211.11458	1.5
211.13390	18.1
219.38353	1.0
221.11763	2.0
225.11292	23.1
226.11632	1.7
227.12875	14.9
229.14435	6.9
235.08241	8.2
235.13374	3.0
237.14954	1.4
239.12910	1.4
249.14914	1.0
253.09286	28.3
254.09726	1.5
289.18024	2.3
291.19690	3.1
299.15115	1.0
307.19116	3.9
309.20779	7.0
325.20181	33.1
326.20419	4.3
327.21744	62.4
328.22119	6.3
443.19040	2.3
445.20917	1.2
461.20267	7.5
462.20526	1.5
545.30145	1.4
550.17236	0.8
561.28961	1.6
563.30640	3.2
753.40857	2.0
771.28442	1.3
771.41821	23.9
772.42169	7.0
793.35114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
58.00586	2.5
59.01379	18.2
61.98829	11.6
69.03448	3.6
70.02551	6.2
71.01382	63.5
71.05026	1.9
72.03526	1.6
73.02958	7.3
78.95892	5.0
81.03474	3.7
83.01401	1.6
83.05032	7.5
85.02942	7.1
87.00866	5.1
89.02450	10.2
90.71490	1.4
95.01373	2.4
95.05004	3.2
96.96003	9.5
96.96951	4.5
97.02940	6.4
97.06607	3.8
99.00875	4.4
101.02448	13.7
109.06592	10.1
110.03674	1.8
111.08160	14.5
113.02422	6.3
119.03483	2.1
121.06557	1.8
123.08133	1.6
125.02440	2.1
125.09719	8.1
127.11270	4.9
130.29829	1.4
135.08159	2.7
137.09732	2.0
139.07623	3.2
143.03467	1.9
145.05093	2.4
149.09702	1.5
153.12857	3.4
155.10747	2.5
161.04529	6.8
163.11308	15.3
164.11588	2.4
165.09203	3.0
165.12848	4.6
167.10782	1.7
169.12338	6.7
171.10260	100.0
172.10600	6.1
179.05608	2.0
181.12344	6.5
183.10246	1.7
183.13837	2.9
185.11809	5.4
189.09123	3.0
191.05678	1.6
191.10757	2.2
193.12144	2.1
193.66019	1.8
197.11804	45.7
198.12219	3.9
199.09686	2.2
199.13480	3.8
201.11317	46.5
202.11673	3.0
207.08350	3.1
207.10248	44.5
207.13371	1.7
208.10556	2.5
209.11823	62.7
210.12090	5.5
211.13350	18.3
215.12871	5.4
225.11311	73.6
226.11641	3.5
227.12862	12.8
235.08197	14.1
243.12296	5.4
245.19044	3.5
247.20667	2.8
253.09274	35.9
254.09656	2.4
263.20160	4.4
273.18735	1.8
289.18115	8.5
291.19647	45.7
292.19928	3.2
293.21149	4.4
295.10294	3.6
307.19034	6.3
309.20688	98.6
310.21075	11.6
341.23233	6.9
344.10419	1.7
392.08759	1.5
407.18915	1.6
443.18909	4.1
461.20401	12.6
479.21268	2.3
505.68347	1.6
565.41284	1.6
570.05341	1.9
753.40491	7.2
771.42078	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	771.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.2
61.98825	3.2
70.45096	0.4
71.01379	0.3
78.95901	16.5
79.95732	3.7
80.96519	0.5
93.03445	0.3
94.98081	0.4
96.96010	100.0
96.96931	21.9
97.95936	0.5
99.07162	0.2
135.04500	0.2
191.05623	1.0
209.11803	0.7
771.33978	0.5
772.36151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.7
61.98534	7.4
61.98830	100.0
71.01381	9.9
71.45223	7.5
72.68861	3.7
78.95907	26.8
79.85440	3.6
79.95722	4.1
80.96519	5.1
93.94488	3.8
109.06561	9.6
122.97612	4.6
148.72227	4.2
152.99551	12.8
163.11212	3.7
171.10252	5.9
191.05675	18.9
197.11761	4.5
207.10234	17.2
209.11758	11.1
225.11276	15.2
235.08105	5.4
253.09364	5.4
291.19617	36.6
300.99957	4.7
347.40048	4.1
461.19949	4.8
465.86221	4.0
481.29660	8.7
527.28748	6.7
704.82526	4.8
717.38434	26.7
735.40283	22.8
736.40063	8.5
764.53137	4.8
771.39069	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	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.3
58.00577	2.7
59.01374	19.3
61.98802	2.2
64.97118	1.7
69.03451	3.1
71.01381	41.9
71.50552	1.8
73.02940	8.6
83.01379	3.1
83.05032	5.7
85.02944	7.6
87.00871	7.1
89.02441	4.9
95.05017	4.7
97.02937	12.9
97.06573	4.2
99.00909	3.0
101.02419	12.7
109.06586	12.1
110.03690	3.5
111.08131	6.5
113.02441	4.5
123.04539	2.7
123.08189	2.9
125.09683	7.7
127.11291	3.5
131.22993	1.8
137.09723	2.6
139.07597	2.8
143.03458	2.9
149.06018	2.1
149.09579	2.0
151.11275	2.2
155.10814	2.1
161.04518	6.4
162.48792	1.8
163.11284	15.5
165.12881	8.9
169.12260	4.2
171.10260	96.8
172.10635	3.5
179.05559	3.5
179.10704	3.2
181.12337	7.6
185.11803	6.9
189.09207	3.2
191.10822	2.4
193.12363	2.5
197.11798	24.7
199.13324	1.8
201.11308	44.4
207.10239	34.4
209.09898	3.8
209.11804	65.0
210.12102	4.2
211.13318	12.8
215.12827	4.7
224.97682	1.6
225.11317	68.1
225.13571	3.4
226.11723	4.4
227.12943	11.3
235.08174	10.0
243.12335	2.8
245.18956	3.2
247.20567	3.8
253.09300	30.3
273.18643	4.0
289.17923	10.4
291.19653	59.9
292.20068	8.6
293.21277	2.0
295.10352	5.4
307.18991	5.6
309.20694	100.0
310.21088	10.4
341.23080	4.0
342.23755	2.0
443.19189	5.2
461.20148	7.2
462.20493	2.0
479.21085	2.7
753.40594	5.4
754.40698	2.6
771.41473	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	770.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50442	0.2
61.98827	100.0
78.95902	0.3
80.96508	1.4
82.96100	0.5
91.71622	0.2
94.98083	0.4
118.41388	0.2
154.41296	0.2
225.00909	0.3
279.23346	0.3
382.22916	0.2
501.35223	0.2
741.19550	0.2
770.42444	1.0
771.40588	0.7
801.04047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.1
61.98828	100.0
62.98519	0.2
70.08139	0.6
71.01378	0.2
78.95909	0.3
80.96534	0.6
96.97610	0.1
98.19872	0.1
114.13517	0.1
124.15796	0.1
131.50124	0.1
152.99619	0.2
202.51881	0.1
211.13466	0.2
212.13893	0.2
232.64288	0.1
277.21704	0.2
278.22198	0.4
407.41113	0.2
732.63055	0.2
770.41968	0.4
771.40295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98828	100.0
63.99269	0.4
64.47495	0.2
71.01390	0.6
71.52763	0.3
78.91891	0.3
78.95911	0.8
79.95740	0.8
80.91696	0.7
80.96510	1.1
81.03432	0.3
82.95412	0.4
83.05046	0.2
85.02953	0.6
87.00899	0.3
89.02444	0.4
93.03449	0.3
94.98093	0.4
95.05019	0.2
96.96005	4.4
96.96985	0.7
97.02939	0.3
97.06616	0.2
101.02448	0.6
107.77560	0.2
109.06575	1.0
121.03002	0.2
125.02468	0.7
126.90439	0.6
135.04512	0.2
151.00415	0.2
163.11285	0.6
166.88873	0.2
169.01436	0.6
171.09042	0.2
171.10286	1.3
173.04497	0.2
191.05566	1.5
197.11789	0.2
207.10266	2.6
209.11829	6.1
210.12210	0.4
210.92595	0.2
211.13432	0.7
225.00652	0.2
225.11356	1.9
227.12885	0.7
235.08264	0.3
237.14807	0.3
245.19147	0.2
253.09326	1.2
289.18063	0.3
297.65527	0.2
307.19116	0.3
325.20346	0.5
327.21725	2.3
364.51514	0.2
461.20255	0.4
463.08832	0.2
770.34424	0.5
771.43231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03439	3.3
58.00591	1.2
59.01377	13.8
61.98830	51.1
68.99564	2.0
69.03439	4.6
71.01378	16.4
71.05010	1.3
71.33163	1.6
72.99288	1.1
73.02937	2.8
78.95885	1.4
79.54961	0.9
80.44155	1.0
80.96514	1.5
81.03451	1.7
83.01373	2.1
83.05025	3.8
85.02953	8.7
85.06551	1.1
87.00876	3.7
89.02435	5.8
93.03429	2.0
95.01414	2.0
95.05041	1.6
96.96003	3.4
97.02950	1.3
97.06593	4.4
101.02444	8.3
109.02882	1.1
109.06592	2.9
111.04518	2.0
112.98587	1.7
113.02444	5.8
119.03461	1.5
121.02946	4.6
125.02390	1.7
125.09708	2.3
127.11280	1.6
135.04553	1.8
135.08105	1.1
137.09740	1.7
145.05054	1.9
146.29247	1.1
151.00395	1.3
151.11263	1.3
155.10799	2.0
161.04588	3.8
163.11269	4.1
165.12790	2.9
167.10760	5.1
169.01381	1.1
169.12398	1.5
171.10268	27.5
177.12845	1.7
179.05620	1.3
179.10764	2.5
179.14476	1.9
181.12350	2.4
183.13857	3.2
185.11821	2.5
191.05576	6.8
195.13940	11.6
197.11806	6.5
201.11284	3.5
205.12349	10.3
207.10271	5.6
209.11809	30.4
210.12160	2.2
211.13396	15.9
211.45796	1.0
221.11778	3.6
223.09784	3.3
223.13382	100.0
224.13739	6.7
225.11316	7.4
227.12888	5.7
229.14401	9.9
235.08226	15.8
235.13390	2.3
236.08672	1.3
237.14967	1.3
239.12907	1.7
241.10683	1.3
247.13353	2.4
253.09276	28.5
254.09599	2.9
265.14392	1.7
287.16476	1.7
289.18112	7.7
290.18240	1.2
291.19647	6.2
300.02802	1.6
300.99878	1.3
301.03351	1.5
305.17554	5.6
307.19223	2.5
309.20685	14.8
310.20847	1.3
321.90799	1.1
325.20398	1.2
327.21744	91.6
328.22165	10.0
348.48315	1.0
399.21036	1.3
443.20514	2.9
459.22491	13.7
460.22623	1.8
533.34540	2.9
545.29712	2.4
563.30792	5.0
576.20068	1.2
593.23779	13.2
594.24005	2.7
751.38971	2.3
769.26978	3.4
769.40094	8.8
770.40204	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	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01374	13.2
61.98814	2.8
67.68358	0.7
71.01384	6.3
73.02938	0.9
78.95901	2.2
80.02678	1.1
81.03435	1.0
83.05015	5.3
85.02936	1.5
89.02461	2.3
95.05035	0.7
98.20735	1.8
101.02432	4.0
109.06615	1.3
111.08150	5.0
113.02453	1.4
113.41811	0.6
116.92875	1.2
118.96005	0.6
120.56467	0.7
125.02464	1.1
125.06106	0.8
125.09718	1.5
161.04520	1.4
163.11261	4.9
165.12823	2.3
167.10759	1.0
169.01396	1.1
171.10297	6.4
177.12827	1.6
179.10765	1.6
191.05655	1.9
191.10794	1.0
195.13850	2.9
197.11789	2.3
201.11301	1.2
207.10149	1.8
209.11819	100.0
210.12140	7.5
211.13467	0.7
223.09705	0.7
225.11310	2.0
227.12891	11.8
228.13152	0.8
235.08218	3.1
241.14424	1.6
247.20618	1.3
253.09207	9.5
273.18613	1.4
291.19641	62.5
292.19992	6.1
305.17902	0.7
309.20642	1.7
323.22256	9.9
324.22665	1.3
341.23334	3.3
360.51636	0.8
445.20578	1.3
446.20801	0.7
501.75961	0.7
527.28656	4.3
527.79779	0.7
594.47095	0.7
719.40790	1.5
769.40784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03431	1.2
58.00591	1.0
59.01109	0.8
59.01381	8.3
59.91756	0.7
61.98831	6.5
64.24978	0.6
68.99554	1.5
69.03429	3.8
70.27106	2.8
71.01373	7.1
71.05013	2.1
73.02933	1.5
75.17480	0.7
77.22408	0.6
83.01379	1.4
83.05022	1.5
83.29449	0.7
85.02934	1.9
87.00847	1.0
89.02425	3.4
93.03427	1.2
95.01378	1.2
97.02936	1.0
97.06578	1.8
97.65536	0.7
99.00874	1.1
101.02444	3.8
104.14962	0.8
105.19262	0.7
109.06584	1.1
111.04517	0.9
111.08178	4.5
112.98547	2.5
113.02434	2.0
119.03524	0.9
119.29780	0.7
119.91574	0.7
123.08138	1.8
125.09713	2.7
136.46242	0.7
137.09755	0.9
151.11259	3.1
153.09135	0.8
153.12840	2.3
161.04500	1.4
161.09731	3.9
163.11290	1.3
169.01353	0.9
169.12320	3.1
169.39024	0.8
171.10304	5.2
172.10612	0.8
179.10762	6.6
181.12352	1.6
185.11787	1.1
191.05670	2.3
197.11821	84.5
198.12134	5.0
199.13382	2.2
207.10159	2.6
209.11853	9.4
211.13390	3.1
223.09656	2.0
225.11313	3.6
227.12868	1.8
241.10747	3.4
253.09335	3.7
263.20114	1.3
280.26877	0.8
289.18146	0.9
291.19653	3.3
300.02667	1.8
307.19180	0.8
309.20731	4.9
323.22305	1.4
459.19095	1.1
477.19467	1.8
769.40118	100.0
770.40234	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	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.12888	0.8
57.03451	1.9
59.01380	9.4
61.98827	13.2
69.03448	5.3
70.39698	2.8
71.01376	8.5
71.05025	2.7
72.99268	1.4
73.02929	2.7
78.95896	1.0
81.03461	0.9
83.01392	1.3
83.05006	2.7
85.02940	2.6
87.00875	1.9
89.02441	3.2
93.03467	1.3
95.01379	1.2
95.05077	0.9
96.95950	1.0
96.97020	1.1
97.02945	1.7
97.06615	1.5
101.02434	4.6
109.06548	1.4
111.04525	1.1
111.08159	4.4
113.02425	3.6
123.08141	1.4
125.02412	1.0
125.09696	3.7
127.19685	1.0
137.09682	1.2
151.11238	3.7
153.12833	2.6
161.04521	2.0
161.09697	3.5
163.11285	1.6
165.12845	1.4
169.01382	1.4
169.12343	3.8
171.10245	7.5
179.10756	6.9
181.12424	0.8
189.30238	1.0
191.05602	2.2
195.10103	1.1
195.13878	1.6
197.11819	100.0
198.12161	5.0
201.11319	2.2
207.10217	2.9
209.11803	24.3
210.12146	2.6
211.13405	2.0
221.11745	1.1
223.09712	3.3
225.11211	5.0
227.12798	2.8
235.08157	1.7
235.13367	1.9
237.14775	1.4
241.10847	5.1
247.13344	1.8
253.09335	7.0
261.18585	0.8
265.14139	0.9
287.16519	1.3
289.18045	7.3
291.19635	2.9
300.02762	2.2
305.17706	3.8
307.18878	1.2
309.20779	5.7
459.18661	2.2
477.19720	2.5
702.72162	1.0
751.39294	1.3
769.40131	96.4
770.40417	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60515	0.8
59.01372	2.0
61.98828	38.7
63.96218	1.9
67.65968	0.7
69.03449	0.9
71.01379	9.7
73.02934	2.1
78.95892	1.3
78.98598	6.7
79.95734	17.2
80.96515	82.8
81.03417	1.2
83.05013	1.0
85.02935	4.3
87.00885	3.4
87.99290	0.6
89.73168	0.9
90.02135	0.8
91.76760	0.6
92.13406	0.7
93.03445	1.0
94.97488	1.2
94.98083	19.3
96.95977	1.5
97.02942	2.5
99.00844	0.8
101.02427	3.8
106.98071	3.7
107.10821	0.8
113.02404	0.8
117.84943	0.7
121.36281	0.8
122.97585	4.5
125.02427	4.0
127.04031	1.3
134.97559	6.0
135.04535	1.3
136.99118	1.8
148.99133	7.7
152.98634	6.7
164.97327	1.4
164.98619	17.3
191.05620	8.7
206.99643	4.4
208.13835	0.7
209.11769	5.4
210.12097	1.0
225.00732	28.5
226.01045	0.9
484.43237	0.7
509.16953	2.9
541.19843	2.8
769.33093	100.0
770.33356	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
57.46890	1.5
58.00581	2.3
59.01377	33.3
61.98819	3.0
68.99812	9.5
69.03439	5.9
71.01379	52.9
71.01774	2.6
72.99305	3.2
73.02934	5.6
75.20150	1.5
78.95890	3.2
80.02654	1.7
81.03458	3.6
81.17195	1.5
83.01373	6.1
83.05008	8.6
84.02142	2.1
85.02940	5.7
87.00872	3.5
89.02431	9.0
91.75755	1.5
95.01347	3.5
95.05003	2.2
96.95993	2.4
97.02957	11.9
97.06574	6.7
99.00892	2.9
101.02419	11.0
106.04198	1.9
107.05045	2.2
109.02939	4.4
109.06554	4.2
110.03710	9.0
111.00874	1.9
111.04517	27.2
111.08116	5.9
113.02439	7.7
119.03512	3.1
122.03649	1.7
123.04498	3.1
123.08156	6.0
125.02402	2.8
125.06097	3.0
125.09724	16.0
127.11282	2.6
135.08096	4.5
135.11816	1.5
137.09680	5.5
139.07635	2.6
141.01921	1.8
142.02661	1.6
149.05978	2.1
149.09633	3.6
151.11278	4.5
153.09166	7.1
155.10756	5.5
161.04515	4.1
161.09698	15.7
163.11232	6.2
165.09209	3.2
165.12790	7.7
167.10753	1.9
169.12372	2.1
171.10262	100.0
172.10580	4.7
177.09187	7.8
179.10770	20.2
181.12244	3.6
183.10248	3.9
183.13829	1.8
185.11807	6.4
187.09709	2.9
190.80959	1.5
193.12383	1.8
195.10220	2.2
197.11835	16.6
199.09676	4.3
201.11259	7.4
202.62338	1.7
205.08667	25.6
207.10291	9.0
209.09914	3.2
209.11818	52.0
210.12106	4.2
211.13484	2.4
213.11305	15.2
221.11938	1.6
222.11781	1.7
223.09737	79.7
224.09985	4.8
225.11339	10.3
227.12868	7.3
235.08186	9.7
241.10768	6.9
245.19017	2.1
247.20599	5.4
253.09297	28.5
287.16632	2.4
289.18149	7.0
291.19635	43.0
292.19943	3.9
300.02707	13.7
305.17322	4.3
307.19232	7.6
309.20697	72.6
310.21246	8.0
323.18640	2.9
407.18906	2.1
419.19363	2.6
441.17618	3.1
450.79395	2.1
459.18631	20.1
460.18533	2.0
477.19785	3.6
545.28992	2.4
593.23901	4.2
725.38184	3.0
751.38953	16.6
752.39862	3.9
769.40143	33.4
770.40106	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	768.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26391	0.1
55.84617	0.1
61.98828	100.0
62.98552	0.2
68.11407	0.1
71.31024	0.2
71.31338	0.2
80.96514	0.2
130.61476	0.1
182.21361	0.2
223.06947	0.1
230.49065	0.2
686.75214	0.2
769.31305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65285	0.4
61.41030	0.5
61.98828	100.0
62.13253	0.5
71.01376	0.7
78.95911	1.3
79.95747	0.8
80.96510	5.9
82.96098	0.9
89.72184	0.5
94.98071	0.9
98.19925	1.1
133.63626	0.5
152.98553	0.5
164.98634	0.5
225.00832	1.0
264.61185	0.5
279.23340	1.5
694.75085	0.6
768.41266	6.9
769.41956	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	769.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.3
61.98829	41.4
62.98531	0.3
63.99274	0.3
66.29220	0.2
67.01416	0.2
71.01377	0.6
71.53766	0.2
78.91909	0.2
78.95903	15.7
79.95737	3.9
80.96520	0.8
94.98061	0.4
96.96012	100.0
96.96934	21.0
97.02938	0.2
104.08073	0.2
105.86879	0.2
120.66135	0.2
135.04483	0.3
169.01471	0.2
191.05589	0.8
198.28192	0.2
207.10193	0.7
209.11818	0.7
211.13260	0.2
218.52219	0.2
225.11327	0.4
267.66046	0.2
311.59341	0.2
601.47327	0.2
618.07562	0.2
709.77661	0.2
769.32971	0.8
770.32477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.5
61.98825	30.5
66.17078	2.5
71.01381	4.1
71.53223	3.5
74.89517	2.7
78.95892	6.2
80.96535	3.7
93.03467	2.7
101.02422	3.9
116.92876	5.4
144.47569	2.3
149.33972	2.6
159.35608	2.2
171.10229	10.0
173.04521	5.9
191.05632	12.1
195.13928	12.6
197.11766	4.9
204.13628	2.4
204.44807	3.2
207.10330	4.6
207.92844	2.6
209.11708	4.9
253.09140	3.0
275.20016	3.6
277.21817	16.6
291.19510	3.1
293.21121	9.0
295.22754	100.0
296.23187	9.5
301.65207	3.0
321.24313	2.9
471.34827	60.4
472.34970	8.5
530.25464	4.3
530.76257	4.3
547.95380	2.6
759.89337	2.8
767.40875	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	768.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98827	100.0
62.21174	0.1
62.98533	0.3
63.99241	0.2
71.01402	0.7
78.95901	7.6
79.95739	2.1
80.96520	0.3
85.02962	0.2
94.98090	1.2
96.32293	0.1
96.96009	43.0
96.96931	8.7
97.53647	0.1
101.02471	0.2
109.06627	0.2
116.58469	0.1
125.02287	0.1
161.04518	0.1
169.01483	0.2
171.10283	0.2
191.05559	0.5
199.13368	0.2
207.10179	0.4
209.11780	0.6
225.11264	0.4
227.12808	0.2
245.86995	0.1
247.54936	0.1
769.32129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
63.96238	1.7
66.51662	0.6
69.03458	0.7
71.01384	8.6
73.02949	2.3
78.95904	1.1
78.98595	7.9
79.95742	14.9
80.96518	87.7
81.03448	0.9
83.01417	0.8
85.02966	3.2
87.00862	3.3
94.98090	18.3
95.01415	0.5
96.95998	1.7
97.02950	1.6
98.20671	1.3
99.00896	0.7
100.29961	0.5
101.02429	3.6
106.11324	0.5
106.98090	4.0
113.02471	0.9
122.97581	4.2
125.02409	3.3
127.04035	0.9
134.97601	5.8
136.99161	1.9
148.99123	6.7
152.98639	6.8
164.98634	13.8
178.88469	0.6
196.89424	1.2
197.11815	1.5
206.99756	3.0
207.01482	0.6
223.22096	0.5
225.00749	20.8
255.23241	1.9
283.04803	0.7
341.18582	0.5
511.18402	2.1
537.26978	1.6
767.42487	100.0
768.42871	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.99308	15.5
61.98820	0.5
71.01379	0.6
71.53986	0.4
71.54350	0.3
73.00243	0.3
75.00881	0.7
81.03477	0.3
85.02943	0.7
87.00872	0.6
88.00410	1.7
88.98804	100.0
89.02443	3.7
89.99144	1.1
93.03461	0.7
96.96002	0.3
96.96924	0.4
113.02412	0.4
127.03999	0.3
135.04509	0.5
159.71906	0.3
161.02431	0.4
181.25864	0.3
191.05615	5.9
192.05988	0.4
195.06627	0.4
220.56548	0.3
227.03505	0.4
255.02917	0.4
262.87021	0.3
273.03897	0.3
369.06506	0.5
491.08563	0.5
497.72098	0.3
533.16785	0.3
677.49353	0.9
767.39337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98526	0.2
71.01443	0.3
77.40543	0.2
110.47156	0.2
156.17592	0.1
176.04880	0.2
198.86681	0.1
202.17940	0.1
451.89993	0.1
484.84476	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	767.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22157	0.3
59.01373	0.7
61.98828	100.0
63.96235	0.7
69.03446	0.4
71.01379	3.1
72.99272	0.4
73.02946	0.8
75.00901	0.4
78.67911	0.3
78.95897	1.3
78.98594	2.7
79.95731	4.9
80.96515	27.0
81.03430	0.4
83.05040	0.4
85.02947	1.6
87.00878	0.9
88.98819	0.9
89.02421	0.3
94.98078	6.3
95.01415	0.3
96.25408	0.3
96.96015	5.1
96.96970	0.6
97.02950	0.8
101.02453	1.3
106.98071	0.8
108.02142	0.4
109.06615	0.6
116.92859	0.9
122.97581	1.2
125.02441	1.6
128.90349	0.3
134.97572	2.1
136.99158	0.6
148.99088	2.5
152.98590	2.2
152.99635	0.4
163.11145	0.4
164.98607	5.4
166.08815	0.3
169.01384	0.4
191.05620	2.3
206.99712	1.1
207.10225	0.7
209.11852	1.3
225.00723	7.8
225.11275	0.5
241.01033	0.4
383.12253	0.3
507.15167	0.7
541.19714	0.6
693.16058	0.3
759.64923	0.3
767.31580	31.4
768.31744	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	765.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
60.99297	3.2
61.98829	100.0
64.43359	1.2
71.01385	2.9
72.99300	4.0
78.95908	2.0
83.05019	2.6
85.02944	2.4
87.00926	1.7
88.98798	15.2
89.02465	1.5
93.03485	1.8
96.96008	1.8
120.65738	1.1
127.37006	1.1
135.04485	2.7
137.02373	1.2
161.02390	1.4
165.05646	2.4
165.12816	1.8
171.10188	1.3
191.05618	7.2
191.17464	1.1
209.11826	44.2
210.12186	3.5
227.12901	5.0
238.86569	1.3
253.09337	2.8
445.20963	2.0
446.21100	1.4
543.00024	1.2
620.24286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37699	0.5
59.01348	0.8
60.70069	0.5
63.96246	1.2
69.17867	5.6
71.01373	6.2
73.02931	1.2
78.98582	5.7
79.95289	0.8
79.95731	12.6
80.96511	62.9
81.03439	0.6
87.00858	3.2
88.35321	0.6
90.72785	0.5
94.97487	1.0
94.98082	14.9
96.96008	0.7
97.02957	1.3
98.19846	1.1
101.02432	3.0
104.33119	0.6
106.98113	2.5
122.97556	3.2
124.23116	0.5
125.02451	2.7
125.22224	0.5
127.03989	0.7
134.97606	4.9
136.99118	1.3
148.99104	6.2
152.98602	6.2
161.04617	0.5
164.98618	12.1
167.00171	0.6
182.97482	0.6
206.99635	2.7
209.11761	1.5
225.00710	19.4
226.01089	0.7
243.30960	0.6
255.23180	0.8
283.05106	0.6
381.81235	0.6
391.64630	0.7
509.16837	3.0
537.27307	1.5
765.40887	100.0
766.27252	1.1
766.41272	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	33.1
61.43555	2.2
69.03452	46.0
70.03799	2.5
71.01380	16.0
75.70976	2.3
85.02937	4.3
89.02451	16.3
95.05029	7.4
101.02426	7.0
109.05887	2.1
113.02435	7.4
114.61530	2.1
119.03480	8.6
121.02954	4.0
121.06568	22.0
122.06926	3.7
123.04497	4.3
139.00322	4.0
143.63611	2.3
165.05557	7.6
183.06628	5.7
188.97746	2.3
191.05595	10.7
198.93343	2.5
209.04488	5.7
229.01622	3.1
264.22653	2.3
345.11859	14.1
389.10889	100.0
390.11176	14.3
391.11230	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	16.6
61.98814	0.7
69.60043	0.8
69.60455	0.5
71.01395	0.3
76.82413	0.2
77.93766	0.2
78.01516	0.2
87.00881	0.8
88.00409	2.5
88.98803	100.0
89.02437	10.3
89.03006	0.2
89.99148	1.0
98.19913	0.4
117.19919	0.2
140.79974	0.2
149.30125	0.2
157.48474	0.2
223.13316	0.3
277.21753	0.3
293.82123	0.2
397.13400	0.8
442.31815	0.2
532.33734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59572	0.4
59.01369	0.8
60.99303	18.2
61.98822	1.3
71.01376	0.6
71.07217	0.8
71.07537	0.4
78.95897	1.7
80.96507	0.6
87.00877	0.7
88.00405	2.0
88.98801	100.0
89.02443	8.9
89.99148	1.4
96.96025	0.4
101.02406	0.7
106.09438	0.3
109.06605	0.5
112.98589	0.4
123.37829	0.4
125.09729	0.5
129.27808	0.4
171.10265	0.8
195.13849	0.7
197.11778	0.4
207.10300	0.6
209.11823	1.7
210.12221	0.5
223.13374	3.0
225.11382	0.8
253.09256	0.5
277.21573	0.5
287.16351	0.5
289.23840	0.4
293.21460	0.6
305.17606	1.3
397.13510	0.8
433.20053	0.4
747.39941	0.5
765.40125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98350	0.2
55.64527	0.3
59.01387	0.3
60.97417	0.2
62.21118	0.3
66.44387	0.2
67.01901	0.5
67.33034	0.3
68.95078	0.3
68.99828	0.3
69.03477	0.8
77.03978	1.1
79.01889	0.5
83.01395	0.8
93.03450	1.5
97.02950	3.3
109.02952	1.1
114.19376	0.2
118.60657	0.3
121.02953	5.4
123.00889	1.3
132.37128	0.3
137.02446	21.1
138.02782	0.8
150.03288	0.4
151.00380	1.0
165.01933	100.0
166.02277	4.4
167.07118	0.6
169.01382	0.5
191.05577	1.5
255.02971	1.1
271.02545	1.6
300.02753	2.8
301.03427	1.9
317.03003	41.9
318.03342	3.6
377.71054	0.3
447.09250	3.9
448.09836	0.5
517.39850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01379	31.1
61.18623	1.1
61.83842	0.8
69.03454	28.7
69.43693	4.4
69.44096	2.1
71.01379	19.2
72.99297	1.4
76.42150	0.9
83.01423	1.2
85.02950	4.5
87.00842	1.7
89.02439	19.3
93.03450	7.1
93.45537	1.0
95.01379	2.3
95.05008	1.5
97.02944	34.6
98.25645	1.0
101.02434	11.4
103.17596	1.0
105.03445	2.2
106.76746	1.0
113.02454	7.7
119.03481	7.5
121.02956	1.7
121.06571	2.1
122.06072	0.9
123.04498	6.8
123.62160	0.9
125.02433	1.1
141.01990	1.5
149.06044	12.8
157.18300	1.1
161.04596	1.1
162.05629	1.0
167.07149	4.7
173.04436	0.9
179.05646	2.9
191.05592	7.8
193.05022	25.9
194.05286	1.3
230.02501	1.0
241.97163	1.0
247.02597	1.0
267.11377	3.4
285.12396	3.4
289.66446	0.9
300.99915	1.3
301.84476	1.0
316.90625	1.0
329.11481	1.8
373.11346	100.0
374.11700	8.4
391.11530	8.6
391.16028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22306	0.1
59.01363	0.1
60.99312	0.8
61.98829	100.0
62.98539	0.2
71.36304	0.1
71.53866	0.2
72.99324	0.4
75.00871	0.4
78.95926	0.3
80.09615	0.1
84.13262	0.1
88.98804	4.6
89.99133	0.4
96.96040	0.2
111.90298	0.1
116.52383	0.1
139.31339	0.1
148.34200	0.1
161.02267	0.1
191.05595	0.4
197.11789	0.3
209.11870	0.4
210.12170	0.2
211.13412	0.3
230.39610	0.2
472.73474	0.1
472.81326	0.1
782.10150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	0.6
59.01376	19.4
61.98829	31.2
62.98524	0.7
63.99254	2.5
71.01379	1.0
71.53377	1.0
76.27980	0.7
78.95901	30.0
79.95719	0.7
80.02678	1.8
80.96516	4.6
81.03449	3.0
83.01375	1.4
83.05022	8.7
83.71127	0.6
84.02174	2.1
94.98084	1.4
95.05019	1.7
96.62082	0.7
96.96951	0.8
101.02459	0.6
116.84158	0.6
125.00093	1.4
125.06102	0.7
125.09735	1.7
135.08157	1.4
152.99590	3.1
163.11301	6.5
163.84822	0.7
164.98593	1.1
165.12866	3.6
168.04326	7.5
168.33282	0.7
181.12352	1.0
191.10780	2.5
209.11813	94.1
210.12141	7.0
223.13402	3.1
224.06918	5.7
225.00780	1.3
226.12021	1.6
227.12863	14.8
228.13298	1.1
241.14458	16.9
242.14899	1.4
255.23279	79.3
256.23599	7.5
480.30994	5.6
481.31476	0.9
554.16119	0.8
619.36108	2.8
645.37701	0.9
690.43457	100.0
691.43866	20.9
704.45148	9.1
705.44800	1.3
764.39423	6.2
765.40106	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	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25042	0.8
63.96230	1.6
71.01379	8.5
71.14992	0.9
71.15298	0.9
71.70325	0.7
71.89635	0.7
73.02923	1.9
78.98586	7.6
79.95734	13.7
80.96516	82.6
81.03468	1.0
85.02940	3.1
87.00884	3.2
94.98085	18.4
95.01328	0.7
96.96001	1.3
97.02929	1.8
99.00896	0.8
101.02435	2.7
106.98080	3.7
112.80522	0.7
122.97607	4.0
125.02444	3.2
127.03993	1.1
127.53014	0.7
134.97604	6.4
136.99130	1.5
148.99129	7.5
152.98627	6.8
163.11226	0.8
164.55757	0.6
164.97325	1.0
164.98613	14.2
167.00114	0.8
206.99649	2.7
207.10271	1.1
225.00714	21.4
226.01001	1.0
255.23312	2.4
265.45993	0.6
507.15259	2.8
537.26843	1.0
551.65771	0.7
557.22675	0.8
569.40997	0.7
596.22260	0.8
639.42285	0.7
763.39398	100.0
764.39764	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50284	0.6
61.98846	3.6
63.35478	0.6
71.52275	1.2
75.27568	0.7
78.95878	1.6
98.13880	0.6
104.58137	0.7
115.92009	0.6
121.10195	0.9
125.09734	1.1
129.43561	0.7
169.01463	0.9
171.14545	0.6
185.11855	1.6
191.05614	1.3
198.28236	0.7
209.11797	1.0
225.00587	0.6
291.19666	18.3
292.19907	1.8
296.81003	0.6
316.94382	0.6
471.34766	100.0
472.35086	15.3
472.41498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98819	1.4
63.96244	1.0
66.10971	0.6
69.03418	0.8
71.01375	8.9
73.02938	2.7
78.98588	6.4
79.95728	14.8
80.96513	83.8
81.03457	0.7
85.02943	3.9
87.00896	3.4
94.98080	18.2
96.95988	1.8
97.02943	2.8
101.02436	2.5
106.98094	3.8
109.06575	1.0
122.97601	3.6
125.02419	3.1
125.79129	0.6
127.04027	1.1
134.97575	5.9
136.99083	1.8
148.99136	8.3
152.98625	7.2
164.98630	13.7
206.99629	2.6
207.10199	1.5
225.00714	20.9
255.23138	1.7
298.34991	0.8
507.15320	4.0
537.27734	1.2
763.39331	100.0
764.39594	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25634	0.7
59.01376	0.9
63.96231	1.3
71.01007	0.8
71.01382	9.3
71.15163	1.3
71.15515	0.9
73.02943	1.7
78.81830	0.7
78.98590	6.4
79.95737	15.3
80.96519	87.8
81.03442	1.0
85.02956	1.9
87.00864	2.7
91.95626	0.7
94.98086	20.7
96.95996	1.8
97.02925	2.3
101.02431	2.9
106.98080	2.6
122.97580	4.1
125.02425	3.1
127.04021	1.5
134.97574	6.2
136.99127	2.3
144.24971	0.7
148.99135	7.2
152.98657	7.2
164.98621	15.4
197.83311	0.7
206.99690	3.8
207.10197	1.4
225.00749	24.4
228.24641	0.8
237.12726	0.7
255.23245	2.1
507.15277	3.2
537.27783	1.1
551.79071	0.9
578.03674	0.8
763.39404	100.0
764.39771	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01379	10.8
60.99307	11.1
61.98830	22.2
62.58281	2.0
68.44709	2.2
70.27441	3.7
70.27802	8.2
71.01373	7.8
72.99302	25.0
78.95865	2.0
80.02718	2.4
81.03449	3.6
83.01384	2.9
83.05025	8.0
85.02943	2.7
87.00830	2.9
88.98804	62.6
89.02445	5.0
89.99133	4.6
93.03470	3.5
96.96014	3.6
97.02946	4.4
98.20019	2.1
101.02433	7.6
104.90565	2.0
109.06591	20.3
112.59101	2.0
113.02459	3.0
113.91074	2.2
119.04991	4.9
131.99591	2.1
135.04636	2.3
163.04008	5.3
163.11325	15.4
171.10213	6.6
191.05629	11.7
207.10255	47.5
208.10463	5.0
209.11816	100.0
210.12242	4.7
211.13370	6.2
225.11327	18.4
227.12953	14.8
235.08191	5.0
253.09207	6.6
258.62308	2.1
382.21152	2.3
399.21619	5.5
400.64645	2.2
443.18967	2.5
461.20294	5.3
551.62335	2.3
635.30450	20.5
646.22937	2.3
653.32001	15.6
654.32556	2.9
671.32819	23.5
672.33063	5.2
700.87280	2.4
760.35852	2.6
763.36365	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	763.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68126	3.0
59.01382	43.0
61.69997	3.0
69.03455	55.5
71.01384	17.5
72.99314	3.4
76.17218	3.4
78.77636	2.8
81.27943	2.5
85.02943	2.7
89.02447	17.4
91.07941	2.7
95.05016	11.5
101.02441	9.2
111.61959	2.5
113.02422	5.9
119.03507	5.2
121.02978	3.6
121.06606	26.2
123.04520	4.5
141.39755	3.3
163.58032	2.8
165.05566	7.9
181.41089	3.0
183.06636	4.8
191.05612	3.2
209.04544	4.5
223.87053	2.9
267.58130	2.8
345.11887	15.5
389.05786	5.9
389.10876	100.0
390.11151	9.1
625.09973	3.4
675.11285	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	763.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38317	0.2
60.99303	17.5
61.98812	0.2
68.81683	0.2
71.01408	0.3
87.00871	0.3
88.00394	0.7
88.98801	100.0
89.02419	2.1
89.99122	1.2
90.50378	0.2
98.20658	0.6
108.08361	0.2
110.60759	0.2
110.80558	0.2
135.04440	0.4
191.05585	1.3
209.11774	1.3
227.12856	0.5
491.53839	0.2
693.81323	0.3
760.76520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
60.99303	9.6
61.98824	28.5
70.43933	4.4
71.01395	6.0
72.99303	15.8
73.44514	2.1
81.03455	2.7
83.05017	8.5
85.02943	4.9
87.00877	4.1
87.28260	2.4
88.98802	57.7
89.02439	6.6
89.99149	3.6
90.99207	3.2
93.03470	5.3
97.02945	6.0
101.02448	5.5
109.06580	20.9
113.02444	4.1
119.05029	7.4
121.06641	2.7
135.04532	5.1
135.08159	4.9
161.09787	2.3
163.03993	6.1
163.11278	17.5
165.12828	5.0
171.10225	5.1
181.12323	3.8
184.07240	2.2
185.11890	3.0
191.05588	12.2
195.06523	2.7
207.10226	56.5
208.10576	3.0
209.11821	100.0
210.12137	5.9
211.13402	6.8
225.11331	22.9
227.12845	14.2
235.08269	5.5
253.09264	10.0
284.89948	2.4
399.21729	6.7
417.22357	3.0
461.20065	6.3
635.30493	15.1
636.31451	3.0
653.31665	15.6
671.32745	25.1
672.32495	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	762.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52728	0.1
61.98826	100.0
78.95888	0.2
80.96529	0.4
98.19868	0.3
101.78822	0.1
112.98587	0.1
155.48625	0.1
164.82428	0.1
170.60493	0.1
247.75273	0.1
250.03551	0.1
351.03925	0.1
400.42215	0.1
504.42413	0.1
532.72974	0.1
628.58038	0.1
752.95209	0.1
763.39117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.0
63.46640	2.0
69.03455	51.3
71.01382	13.9
85.02942	2.8
89.02438	14.6
90.06648	3.1
95.01424	2.2
95.05019	10.8
101.02419	9.8
101.28277	2.4
106.04218	4.4
113.02436	5.7
119.03486	7.2
121.02949	5.7
121.06592	25.8
123.04523	5.2
139.00343	3.0
161.49634	2.2
165.05528	10.3
191.05597	4.2
209.04523	8.6
238.84868	2.2
280.58508	2.2
345.11761	12.9
389.05804	5.6
389.10873	100.0
390.11224	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	761.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45377	3.1
61.98828	100.0
71.01371	7.7
71.52212	4.2
78.95902	18.4
78.98550	5.3
79.95731	7.5
80.96518	54.7
81.03513	3.3
85.02938	5.7
94.98059	15.3
100.69592	3.2
126.57892	3.3
133.02919	4.5
134.97527	3.5
148.99126	4.6
152.99600	5.9
159.98288	4.0
164.98657	7.5
171.10210	11.3
173.10443	3.1
177.01920	3.7
197.11798	6.6
209.11829	3.8
225.00584	9.8
235.08362	3.4
250.75746	3.5
255.23283	15.7
277.21848	3.4
279.23401	8.0
281.24860	9.0
312.93723	3.2
327.21759	14.3
455.35168	16.7
658.11945	3.2
761.37292	61.8
762.36749	17.7
762.49817	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31454	0.1
56.69638	0.1
61.98830	100.0
62.98544	0.2
63.96233	0.1
69.95484	0.6
71.01392	0.4
78.98606	0.5
79.95726	0.7
80.96517	5.1
87.00863	0.2
94.41628	0.1
94.98075	1.2
98.19994	0.2
101.02425	0.2
109.46330	0.1
114.18195	0.1
122.97586	0.2
125.02464	0.3
134.97588	0.5
148.99098	0.7
152.98665	0.4
159.66708	0.1
164.98660	0.9
206.99733	0.2
225.00722	1.8
225.47284	0.1
255.23366	0.3
260.11145	0.1
373.41882	0.1
431.78470	0.1
446.87811	0.1
507.15250	0.2
526.79840	0.1
763.39404	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	761.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80132	0.6
59.01373	0.7
60.81948	0.6
61.98829	0.7
62.86339	0.6
63.96241	2.0
69.03455	1.7
71.01378	10.3
73.02951	2.3
73.55083	0.6
78.98590	8.1
79.95737	19.3
80.96514	96.4
81.03419	0.7
85.02950	4.0
87.00873	3.6
94.97482	1.5
94.98084	22.9
96.96024	1.5
97.02944	2.2
99.00916	0.9
101.02433	3.5
104.02190	0.7
106.25737	0.7
106.98086	4.5
111.39480	0.6
122.97585	4.7
125.02444	4.0
127.04006	1.1
134.97585	7.9
136.99150	1.6
146.97589	0.9
148.99138	9.8
150.86845	0.6
150.97189	0.6
152.98615	7.0
162.14874	0.6
164.98604	14.0
206.99652	2.8
222.78416	0.6
223.13383	1.4
225.00720	23.7
226.01120	0.9
228.43060	0.6
246.54495	0.6
255.23262	2.3
282.93802	0.6
295.52902	0.6
312.02725	0.7
448.43195	0.7
505.17523	2.8
537.27295	1.4
761.41431	100.0
762.41705	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46057	0.1
61.98827	100.0
62.98529	0.2
69.47285	0.3
69.47698	0.7
69.50831	0.1
78.95913	0.5
80.96525	0.4
97.64365	0.1
98.19875	0.1
103.68079	0.1
151.36865	0.2
225.56625	0.1
253.21985	0.2
356.26120	0.1
422.18607	0.1
486.69434	0.1
641.54431	0.2
761.37646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
60.99304	18.4
61.98798	0.3
61.99671	0.2
69.80956	0.8
71.01371	0.3
77.46388	0.2
78.95886	0.2
85.02969	0.3
87.00880	0.3
88.00404	1.0
88.98801	100.0
89.02431	3.3
89.99138	1.3
96.96016	0.4
135.04532	0.5
160.82356	0.2
191.05579	1.1
194.23427	0.2
195.99461	0.3
201.11342	0.2
207.10207	0.4
209.11797	0.8
265.36777	0.2
543.75720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26877	0.6
59.01378	1.0
61.98822	1.8
63.96236	2.2
69.03452	1.0
71.01385	7.6
72.99303	0.7
73.02939	2.5
78.95885	0.6
78.98582	7.9
79.95733	13.7
80.47079	0.5
80.79439	0.6
80.96513	75.0
83.01398	0.6
84.03226	0.6
85.02943	2.9
87.00877	2.5
94.98087	16.0
95.01361	0.8
96.96004	1.5
97.02954	1.5
98.20750	1.3
101.02426	1.8
106.98075	3.4
122.97581	6.0
125.02438	2.9
127.04012	0.8
134.97569	6.0
136.99126	2.4
145.85707	0.6
148.99141	7.3
152.98616	6.8
152.99757	0.8
164.97325	0.9
164.98621	13.0
165.45842	0.5
167.00105	0.6
206.99641	2.5
223.13420	0.9
225.00722	16.5
226.01057	0.7
229.22826	0.5
255.23212	3.0
283.04681	0.6
315.55710	0.6
487.51132	0.6
505.17404	2.2
537.27069	1.5
684.34045	0.7
761.41437	100.0
762.41779	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	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35985	3.3
70.85316	7.8
70.96845	3.2
74.92202	3.4
77.41812	3.1
78.95893	3.5
84.88190	3.3
166.15581	3.5
209.11812	100.0
210.12119	5.3
227.12845	16.1
253.09265	8.5
277.21701	51.4
278.22098	5.3
361.26279	4.1
445.20328	6.8
759.41309	7.7
760.41083	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	759.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	13.3
59.07820	9.0
61.98833	59.9
68.99559	11.7
71.45011	10.6
78.95908	68.6
80.96506	9.0
83.51888	8.9
112.98556	15.4
152.99611	19.6
169.70401	8.4
171.10211	9.8
174.58672	8.1
196.89450	13.4
199.13354	13.1
207.10248	30.2
209.11913	50.0
225.11417	12.4
227.12877	70.0
235.08040	15.2
253.09433	13.8
253.21744	66.2
255.23233	23.2
274.17145	8.6
277.21661	100.0
418.67426	10.0
441.60535	8.7
463.21222	10.4
529.87744	10.2
545.97400	8.7
548.24554	9.1
609.02838	10.0
611.22888	8.5
687.95044	10.8
723.43097	23.0
759.42865	31.1
760.44818	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	759.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
60.99303	17.2
61.98830	1.5
71.01387	0.5
71.15739	0.6
72.63565	0.3
78.95907	0.4
87.00878	0.5
88.00399	0.7
88.98802	100.0
89.02449	3.2
89.99138	1.3
96.96004	0.8
104.99255	0.3
105.03310	0.3
107.97210	0.3
136.77660	0.3
168.55473	0.3
169.01410	0.5
171.10199	0.4
191.05621	1.0
197.11731	0.3
207.10237	0.3
209.11789	0.6
211.13371	0.6
216.25204	0.3
253.09344	0.3
759.31079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26089	0.2
54.84322	0.2
59.01376	1.0
71.01385	0.4
71.53301	0.3
73.02946	0.3
74.99051	0.2
81.03440	0.3
85.02946	5.4
87.00858	1.1
90.83875	0.2
93.03461	2.3
99.04510	0.4
109.02956	0.5
111.04504	0.7
127.04006	1.7
133.02968	0.6
135.04500	1.0
161.02434	1.2
171.02954	0.4
173.04553	0.9
179.03513	0.7
191.05602	100.0
192.05931	4.3
234.96997	0.6
248.98465	0.5
250.96587	0.3
269.03476	0.2
304.99612	0.2
320.39221	0.2
353.08713	11.7
354.09274	1.1
365.17334	0.3
406.00427	0.4
407.00793	1.0
431.45047	0.2
438.99802	0.3
553.06183	0.7
556.38184	0.2
594.33978	0.3
598.06317	0.9
760.09766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52462	0.5
57.77377	0.5
59.01376	0.8
67.01897	0.8
69.03419	0.6
71.01378	0.6
79.25681	0.6
85.02944	5.9
85.64473	0.5
87.00870	2.0
93.03447	3.2
109.02975	1.0
111.04530	1.4
120.96455	0.5
127.03995	1.8
133.02986	1.6
135.04561	1.1
141.05287	0.5
153.55563	0.5
161.02463	1.8
171.03000	0.7
173.04553	2.2
177.01973	0.6
191.05606	100.0
192.05922	4.4
202.90222	0.5
286.76901	0.5
351.07281	1.0
353.08713	14.4
354.09158	1.4
369.08359	0.9
493.25653	0.5
598.06500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.5
54.81515	0.7
59.01371	8.8
59.73947	0.7
61.98833	4.6
68.99815	0.8
69.72379	0.7
70.38264	0.6
70.53384	1.5
70.53770	2.1
71.01378	100.0
72.01714	1.3
72.99326	0.8
73.02934	1.1
78.95900	13.5
83.05025	0.9
85.02949	1.3
87.00887	1.2
89.02448	2.2
95.01395	1.3
96.96979	1.1
97.02966	1.6
99.00886	1.7
101.02438	3.6
102.99215	0.6
109.06572	4.0
110.61877	0.7
113.02455	1.5
119.03574	0.8
125.09711	1.9
127.11292	2.9
135.08133	1.0
137.09755	1.1
142.02654	0.6
143.03416	0.8
145.05058	1.0
152.99556	5.7
153.09138	1.1
155.10715	0.8
161.04565	2.1
163.11316	2.6
171.10257	69.9
172.10609	2.7
181.12314	2.1
191.05577	0.9
196.89519	0.9
197.11877	1.9
198.12163	0.8
199.09734	7.9
199.13354	1.7
201.11308	11.1
207.10226	11.1
209.11848	1.0
211.13446	0.7
215.12897	1.3
225.11302	9.1
235.08206	3.1
243.12292	0.9
253.09247	9.7
277.21698	89.2
278.22070	12.3
293.21249	1.4
311.22708	0.8
445.19785	1.4
447.21371	1.5
461.20102	2.1
552.79565	0.8
721.41907	2.8
722.41376	1.0
739.43030	2.0
757.43256	17.4
758.43225	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	759.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
57.03432	0.7
59.01378	33.9
67.01885	1.5
69.03453	44.6
69.86893	3.5
70.03797	0.8
71.01385	12.4
72.99297	1.1
73.02924	0.8
73.09507	0.7
73.70070	0.7
77.32250	0.7
80.21510	0.6
85.02949	3.1
87.00879	2.3
89.02442	9.8
93.03461	1.5
95.01394	1.2
95.05016	9.7
95.60458	0.7
101.02448	8.0
103.36802	0.6
106.04237	2.2
113.02425	4.0
115.00379	2.9
119.03493	4.0
121.02982	3.9
121.06596	20.0
122.06944	1.0
123.04525	2.5
133.02974	1.3
137.02324	0.7
138.07893	0.7
139.00362	3.5
139.03981	1.7
139.07668	3.2
165.05545	8.1
173.04535	1.0
175.02425	4.2
179.05618	1.1
183.06560	3.8
191.05684	5.9
209.04543	6.0
245.41367	0.7
345.11850	9.2
369.08157	1.1
389.10873	100.0
390.11212	9.7
492.35187	0.8
500.01559	0.8
501.52701	0.8
516.13440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
61.98813	7.5
62.32691	1.2
71.01382	62.6
71.52780	2.0
78.49893	1.2
78.95904	24.5
87.00889	2.2
89.02447	2.6
90.17809	1.3
96.96991	2.0
99.00844	2.2
101.02452	4.9
104.57919	1.6
109.06561	3.9
113.02481	2.3
127.11307	1.4
152.99576	11.3
161.04558	2.0
161.75238	1.5
163.11337	2.7
171.10263	44.2
181.12271	3.0
191.05496	1.9
196.89520	1.9
197.11821	2.3
199.09770	9.6
201.11356	8.0
207.10263	12.0
211.13463	2.3
225.11328	10.3
235.08203	4.2
243.12308	1.6
253.09306	9.9
253.21806	1.7
277.21707	100.0
278.22021	12.6
293.21317	1.9
311.22433	2.4
445.20334	2.0
447.21680	2.2
461.19925	2.8
721.42462	3.3
757.43213	18.6
758.43915	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	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
61.98813	7.5
62.32691	1.2
71.01382	62.6
71.52780	2.0
78.49893	1.2
78.95904	24.5
87.00889	2.2
89.02447	2.6
90.17809	1.3
96.96991	2.0
99.00844	2.2
101.02452	4.9
104.57919	1.6
109.06561	3.9
113.02481	2.3
127.11307	1.4
152.99576	11.3
161.04558	2.0
161.75238	1.5
163.11337	2.7
171.10263	44.2
181.12271	3.0
191.05496	1.9
196.89520	1.9
197.11821	2.3
199.09770	9.6
201.11356	8.0
207.10263	12.0
211.13463	2.3
225.11328	10.3
235.08203	4.2
243.12308	1.6
253.09306	9.9
253.21806	1.7
277.21707	100.0
278.22021	12.6
293.21317	1.9
311.22433	2.4
445.20334	2.0
447.21680	2.2
461.19925	2.8
721.42462	3.3
757.43213	18.6
758.43915	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	757.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53096	1.0
58.10102	1.1
58.87634	1.0
59.01108	1.1
59.01369	6.6
61.98831	10.8
66.78375	1.3
71.01376	16.2
71.05151	1.2
77.06281	1.0
80.02666	1.6
81.03456	3.1
82.95421	1.7
83.01386	1.3
83.05013	5.5
84.02170	1.2
85.02956	2.5
87.00872	1.7
89.02448	3.2
93.03457	2.0
96.96030	2.9
97.02932	3.2
98.19881	3.5
98.38491	1.2
99.00869	2.0
101.02441	5.1
109.06587	17.7
110.06955	1.3
113.02451	2.9
125.09711	2.1
135.08141	1.6
142.02826	1.2
161.04486	1.6
163.11281	11.4
165.12788	4.0
171.10287	3.2
181.12317	3.9
185.11830	2.1
186.29007	1.2
191.05602	5.2
194.51407	1.1
197.69420	1.3
199.09712	1.8
201.11157	1.6
205.12421	1.2
207.10252	47.2
208.10490	3.9
209.11812	100.0
210.12198	6.3
213.15024	2.4
225.11301	31.4
226.11618	2.7
227.12915	15.8
228.13266	1.3
235.08160	4.7
243.12270	2.0
253.09204	11.2
254.21071	1.2
259.12457	1.2
299.15173	1.0
399.21716	3.6
417.22672	2.6
424.06100	1.3
443.18951	2.9
461.20178	12.2
462.20313	1.3
581.68329	1.4
635.31171	6.7
653.31909	5.2
654.31769	1.7
660.19629	1.5
671.32831	14.4
672.33264	3.9
689.34027	2.1
757.32788	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	756.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98827	100.0
62.98522	0.2
78.95910	0.9
80.96523	0.8
90.70172	0.2
98.19823	0.3
102.11769	0.2
104.08489	0.2
109.06567	0.2
113.59911	0.2
125.09708	0.2
140.26311	0.2
152.99608	0.4
163.11342	0.3
164.98615	0.2
169.04991	0.2
197.11841	0.4
204.74329	0.2
207.10249	1.4
209.11867	0.2
220.20737	0.2
225.11363	0.4
233.21844	0.2
235.08276	0.2
253.09300	0.3
253.21713	4.1
277.21771	0.4
278.22208	0.4
334.69830	0.2
435.48257	0.2
697.41498	1.0
756.39282	0.3
757.39838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
61.98537	2.2
61.98831	33.9
69.63269	10.4
71.01379	22.7
73.02953	1.6
78.95894	2.0
83.05000	6.2
84.95119	2.1
85.02956	3.8
87.00829	2.2
89.02438	4.8
96.95988	4.6
97.02951	3.2
99.00889	7.9
101.02441	5.6
109.06593	10.2
112.66125	1.4
113.02428	3.8
119.03450	1.6
125.09715	2.7
161.09778	1.8
163.11304	10.5
165.12805	3.1
171.10283	8.0
181.12378	12.8
185.11812	1.9
191.05672	12.0
199.13420	8.9
201.11249	1.9
207.10258	36.9
208.10506	2.0
209.11829	100.0
210.12134	9.0
225.11307	46.9
226.11647	3.8
227.12863	20.9
235.08182	4.1
239.12926	2.1
243.12338	14.0
253.09262	14.6
262.49026	1.5
299.02026	1.5
327.21759	2.4
399.21738	2.3
443.19458	1.7
461.20282	10.0
479.21118	10.2
511.23816	2.7
635.30615	4.2
653.31354	9.1
660.20203	7.0
671.32788	14.2
672.32819	3.0
689.33795	19.8
690.34003	3.8
721.36548	7.1
722.37067	2.9
757.34229	4.6
758.32129	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	756.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72556	1.8
54.18823	1.6
59.01392	2.1
69.41505	13.0
71.01360	2.5
71.78925	1.6
74.11446	1.8
85.02946	4.4
87.00846	2.0
92.11998	1.8
93.03451	6.1
107.01393	16.4
109.02953	1.9
111.04555	2.4
121.81801	1.8
123.96793	1.6
125.02441	36.0
126.02670	2.6
128.05464	1.6
135.04524	3.5
139.88689	2.1
161.02441	3.0
169.01421	88.4
170.01744	4.8
173.04561	5.3
191.05606	99.2
192.05963	4.0
226.92520	1.6
229.01398	2.2
247.02301	2.1
273.00595	2.3
300.99869	3.9
343.06665	100.0
344.07034	10.7
353.08832	4.0
367.10049	2.8
382.48944	1.9
418.03897	2.0
505.09882	25.1
506.09882	3.1
725.74567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77789	1.3
59.01372	5.8
61.98820	5.4
70.49723	4.0
71.01379	4.6
78.95480	2.4
78.95903	25.2
81.03433	1.5
83.05010	3.5
85.02952	2.2
89.02444	2.4
96.96969	2.8
101.02433	3.7
113.02431	1.7
121.30713	1.3
121.49639	1.3
125.06138	1.4
152.99565	11.2
163.11247	3.1
191.10788	1.4
209.11810	98.4
210.12114	4.4
217.01297	1.5
227.12868	12.7
235.08231	5.2
253.09174	9.6
258.59546	1.4
259.15469	2.3
277.21710	100.0
278.22012	10.9
291.19791	3.1
293.21225	2.3
305.17288	1.8
443.64609	1.6
445.20135	2.3
560.68781	1.6
755.41388	6.2
756.41034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76001	1.3
57.03440	2.2
59.01378	18.2
60.58543	1.3
61.02107	1.2
61.98847	1.3
69.03455	2.7
71.01382	22.8
71.28991	2.9
72.99302	2.0
73.02951	7.1
78.95907	2.4
81.03453	1.6
83.05022	4.9
85.02937	3.8
87.00880	4.2
89.02444	6.7
95.01414	1.9
95.05040	3.3
97.02962	3.1
97.06598	1.5
99.00889	2.4
101.02441	8.3
109.00735	1.3
109.06602	10.3
110.03741	1.4
111.08201	2.7
113.02477	4.4
118.79298	1.4
119.03550	1.8
124.01349	1.5
125.06090	2.1
125.09715	3.6
127.11299	5.2
137.09688	1.7
139.07732	1.4
143.03491	1.8
149.09686	2.0
155.10814	2.2
161.04506	3.4
163.11266	12.5
165.12848	2.1
167.10812	1.9
171.10268	83.0
172.10577	2.2
179.05559	1.9
179.10793	2.7
181.12393	3.2
185.11830	4.0
189.09291	2.5
195.13910	8.0
197.11765	4.7
199.13443	2.0
201.11317	36.2
202.11729	2.1
207.10274	28.0
209.11815	52.9
210.12199	7.3
215.12924	2.7
223.13449	3.8
225.11317	55.4
226.11652	3.1
227.12865	6.8
228.13326	2.3
235.08270	7.9
235.17043	2.2
243.12364	3.2
253.09254	27.4
270.05112	1.4
275.20132	12.5
276.20508	1.7
291.19672	22.1
293.21225	100.0
294.21600	8.9
295.10330	2.7
309.20633	4.9
311.22058	1.5
443.19138	2.8
461.20306	12.9
477.31860	1.7
479.21112	2.3
576.77234	1.4
616.44757	1.5
638.45514	1.6
689.64789	1.5
737.40558	3.7
753.33246	1.5
755.42157	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03440	1.8
58.00587	1.8
59.01379	17.5
71.01379	36.2
73.02955	4.9
78.95903	1.3
80.02657	0.9
81.03445	2.5
83.05022	3.7
85.02469	1.0
85.02934	4.5
87.00879	4.4
89.02436	4.5
93.03471	1.1
95.01414	1.2
95.05032	4.0
97.02937	2.8
97.06566	1.2
99.00876	1.8
101.02433	7.1
107.04992	1.1
109.06606	7.4
110.03755	1.1
111.00904	1.1
111.08166	2.9
113.02451	3.8
119.03520	1.7
121.10242	1.2
125.09722	2.9
127.11285	4.3
133.36147	0.9
135.08139	1.3
137.02425	1.5
139.07640	1.7
139.09889	0.9
143.03458	2.4
144.25777	1.0
151.11232	1.1
155.10806	1.9
161.04546	3.2
163.11305	9.2
165.09224	2.1
165.12837	2.3
167.10783	1.5
169.12340	1.4
171.10263	70.4
172.10594	3.5
179.05675	1.9
179.10735	1.3
181.12384	5.7
183.10284	1.8
185.11819	3.3
189.09184	1.3
195.13882	9.2
197.11852	2.3
199.09747	1.2
199.13243	1.3
201.11317	33.8
202.11639	2.7
205.12369	1.1
206.90854	1.0
207.08357	1.7
207.10252	24.0
208.10519	1.3
209.11815	40.4
209.13802	1.9
210.12189	3.4
215.12851	2.9
223.13362	7.1
225.11317	43.1
226.11667	2.7
227.12944	4.7
235.08250	6.1
235.16917	1.7
243.12286	3.5
244.98518	1.0
253.09267	24.6
256.13025	1.7
268.02539	1.0
275.02460	1.1
275.20142	11.7
285.37720	1.0
291.19653	20.2
292.20013	2.0
293.21219	100.0
294.21555	8.9
295.10315	1.7
309.20657	2.6
311.22388	1.3
313.76617	1.2
335.22052	1.3
411.89847	1.3
443.18988	1.9
461.20370	6.9
479.21277	2.1
533.15173	1.0
617.23273	1.2
737.41144	3.8
738.41736	1.9
755.42584	5.0
756.42029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
58.00605	0.5
59.01375	5.7
61.98827	9.9
63.02381	0.5
67.01891	0.6
69.32936	3.3
71.01379	3.7
73.02936	1.1
78.95905	2.3
80.02690	0.9
80.91682	1.5
80.96508	0.8
81.03428	0.9
83.01376	0.6
83.05025	3.6
84.02145	0.7
85.02946	1.0
87.00884	0.7
87.33960	0.4
89.02432	2.0
93.03475	0.7
95.01390	0.6
95.05002	1.0
96.96008	2.1
96.96945	0.7
97.02934	0.5
97.06564	1.0
101.02441	2.9
103.14601	0.4
106.04263	0.3
107.01400	0.9
108.59293	0.4
109.06583	0.9
111.08158	1.5
113.02432	1.7
116.92898	0.5
119.03471	0.7
121.02975	0.5
121.10216	1.5
125.06100	0.5
125.09708	1.2
128.93672	0.4
135.08173	0.5
137.09705	1.1
151.00333	1.2
152.99582	0.6
161.04565	1.4
163.11285	4.0
165.12840	2.8
169.01247	0.4
171.04680	0.5
171.10254	18.9
172.10689	0.9
179.05641	0.5
181.12370	1.3
181.46634	0.4
185.11792	1.6
191.05614	1.2
191.10776	0.5
195.13876	1.6
197.11884	2.2
199.03979	0.6
199.13440	0.7
207.10211	0.6
209.11806	100.0
210.12152	6.3
211.13380	23.3
211.15417	0.7
212.13718	1.3
217.79980	0.4
221.15427	0.5
223.16989	1.1
225.11339	0.4
227.03587	0.5
227.12865	16.2
228.13184	1.6
233.15498	1.1
235.08145	3.2
243.02965	0.8
251.16522	5.6
253.09277	10.3
254.09677	0.5
255.03040	0.7
271.02444	8.8
272.02911	1.1
273.18616	0.8
289.18097	1.2
290.18347	1.0
291.19632	30.5
292.19904	3.1
299.01926	12.7
300.02652	8.1
301.03421	3.3
304.35568	0.4
309.20709	10.6
310.21039	1.1
407.19180	0.4
445.20734	2.1
446.08475	0.5
447.09299	2.3
448.09238	0.5
463.21863	0.7
527.28375	1.5
593.24176	0.5
609.23273	3.6
610.23785	1.0
719.39618	0.6
737.41260	0.5
753.25916	0.4
755.29016	5.9
755.40375	0.7
756.29315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03451	0.5
58.00591	0.3
59.01375	4.7
61.98818	0.5
69.03453	0.6
70.63675	0.6
71.01373	3.5
73.02914	0.4
73.37278	0.3
74.75824	0.2
80.02665	1.1
81.03464	1.3
83.01384	0.5
83.05009	4.3
84.02177	0.8
85.02946	0.9
87.00868	0.7
89.02439	2.0
91.99472	0.3
95.05012	0.7
97.02938	0.5
97.06559	0.4
101.02431	3.2
109.06590	0.5
111.08153	5.0
113.02452	1.2
119.03467	1.2
121.50617	0.3
127.07583	0.3
135.08163	0.7
137.09636	0.4
143.03513	0.3
145.05023	0.3
153.12810	0.4
161.04561	1.4
163.11270	3.7
165.12825	2.5
169.12340	2.8
171.10236	1.0
179.05614	0.4
181.12367	1.0
183.13898	0.5
191.10817	1.3
197.11816	29.2
198.12115	2.0
199.13403	1.7
209.11804	100.0
210.12155	7.0
211.13354	4.5
225.11299	0.7
227.12860	13.0
228.13202	1.2
235.08215	3.8
247.20763	0.5
253.09248	14.6
254.09442	0.4
261.90329	0.3
263.20035	1.4
265.18060	0.9
273.18616	0.4
291.19641	12.3
292.20010	1.0
293.21185	0.9
299.01974	0.5
309.20682	37.3
310.21024	3.4
433.20731	0.3
445.20795	1.1
519.33191	0.4
545.29584	0.5
650.77222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
59.01371	4.3
61.73854	0.3
61.98817	0.6
70.63673	0.7
70.64009	0.6
70.73490	0.3
71.01375	3.3
71.92616	0.3
73.02947	0.6
80.02677	0.9
81.03435	1.0
83.01403	0.5
83.05027	4.2
84.02158	1.0
85.02963	0.6
87.00843	0.9
89.02431	1.9
93.07084	0.4
95.05042	1.0
101.02451	3.3
108.25647	0.3
109.06572	0.8
111.08158	4.6
113.02447	1.6
119.03525	0.8
125.06078	0.5
125.09774	0.4
133.04196	0.3
135.08171	0.8
145.05061	0.6
153.12885	0.6
161.04544	1.1
163.11301	3.5
165.12811	1.8
169.12325	1.8
171.10284	1.2
181.12329	0.9
191.10782	1.2
197.11819	22.7
198.12181	1.6
199.13403	1.3
205.00496	0.3
209.11823	100.0
210.12170	6.7
210.55585	0.4
211.13403	4.3
225.11229	0.4
227.12872	11.5
228.13321	0.8
235.08197	3.4
253.09267	13.7
254.09647	0.8
263.20178	1.4
273.18689	0.5
291.19644	8.5
292.20099	1.0
293.21228	0.9
309.20688	30.5
310.21082	3.5
445.20914	0.9
473.49643	0.4
545.29388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32327	7.8
61.98822	28.5
68.55830	5.8
70.58606	18.7
71.01376	13.7
78.95911	73.1
80.96537	9.5
96.96964	9.2
101.02461	7.5
109.05907	6.8
109.06602	15.9
130.91464	5.6
149.42618	6.1
152.99611	39.7
163.11357	6.1
171.10300	7.9
207.10263	39.0
209.11903	8.6
225.11369	12.9
235.08096	7.9
245.73912	6.1
254.57591	7.2
255.23311	100.0
256.23645	15.1
257.23889	7.9
258.54242	6.4
277.21722	24.3
301.06857	7.2
341.23480	6.7
464.38382	7.3
477.22714	16.8
699.44299	8.1
755.43048	35.0
772.00269	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	755.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
57.68033	1.3
59.01390	10.0
61.98830	100.0
63.99240	1.9
69.80669	1.4
71.01388	15.3
71.05018	3.0
72.99328	1.7
73.02949	1.8
75.01984	1.3
78.91895	3.8
78.95901	11.5
79.95734	4.5
80.02654	1.7
80.91685	1.7
80.96516	4.8
81.03436	1.8
82.95370	1.7
83.01382	1.8
83.05019	2.6
85.02954	4.3
87.00912	2.5
89.02456	4.1
93.03443	2.4
95.87299	1.5
96.96014	39.5
96.96947	12.7
97.02974	3.5
99.00880	6.5
101.02465	6.2
109.06583	10.7
111.04604	1.9
113.02428	4.4
121.10266	1.8
123.04425	1.5
125.02431	2.9
125.09716	3.4
131.28450	1.4
137.09770	2.0
151.00381	3.4
152.01126	1.8
153.05536	1.5
153.12733	1.7
161.04605	2.6
163.11273	9.5
169.01477	1.8
171.10291	8.5
177.01930	3.4
178.99806	3.3
179.03673	1.5
181.12337	6.8
185.11777	2.4
191.05600	9.3
197.11813	2.9
199.13409	5.8
205.08676	2.7
207.10265	35.9
208.10840	2.0
209.11823	56.9
210.12167	4.4
211.13406	5.0
223.09793	4.7
225.00717	3.0
225.11308	32.5
226.11673	2.2
227.12874	9.5
235.08246	3.0
243.12306	6.8
251.16582	1.9
253.09315	12.0
255.03058	1.9
271.02505	2.6
273.17099	3.5
291.19583	7.2
300.02640	3.8
301.03482	4.8
309.20688	17.5
370.77560	1.6
379.43765	1.4
389.23077	1.9
397.20227	2.1
415.21347	2.6
461.20117	7.2
479.21384	5.2
545.29712	1.4
574.19940	1.8
607.28070	1.9
623.40082	1.8
625.28674	3.1
651.30212	7.4
669.31085	9.9
687.32245	13.3
688.32996	2.3
719.34845	4.6
755.29932	7.8
755.44897	5.6
756.29224	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	755.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52993	1.1
57.86985	1.1
59.01377	11.0
61.98829	18.5
63.02399	1.8
65.00335	1.9
69.03433	0.9
69.84550	2.7
69.84938	2.2
71.01380	5.0
71.04975	1.0
73.02946	1.1
78.95903	6.1
80.02682	1.0
80.91673	2.4
80.96503	1.5
81.03452	2.3
83.01357	2.2
83.05023	4.9
85.02943	1.3
87.00869	1.5
89.02434	2.3
95.05040	1.1
96.95985	4.0
96.96928	3.2
101.02438	3.2
103.77393	1.0
107.01357	2.4
111.08121	1.6
113.02417	1.6
121.10192	1.4
125.02416	1.0
125.09700	2.4
127.59706	1.0
151.00403	7.7
161.04599	1.1
163.00369	1.1
163.11270	4.1
164.01155	1.8
165.12872	2.6
169.01442	1.1
171.04488	1.9
171.10255	15.8
178.99834	2.1
185.11833	2.4
187.03775	1.1
191.05589	3.6
195.13943	1.6
197.11830	5.2
199.03937	3.9
199.13351	3.0
201.01976	1.1
207.10202	2.6
209.11815	100.0
210.12158	5.4
211.13391	37.0
212.13684	1.7
212.20074	1.1
215.03410	2.4
223.13190	1.2
225.11259	2.3
226.02739	1.5
227.03500	5.0
227.12866	21.0
228.13324	1.6
235.08144	6.0
243.02972	6.2
251.16476	4.8
251.25867	1.0
253.09274	13.5
254.09944	1.1
255.02945	3.7
271.02472	58.5
272.02835	3.4
283.02466	1.3
289.17950	1.9
290.18256	2.2
291.19635	33.2
292.20026	2.8
299.01947	90.1
300.02661	59.1
301.03418	21.7
302.03787	1.7
309.20676	13.4
310.21002	1.4
329.21225	1.5
377.43665	1.2
409.91519	1.0
445.08066	1.6
445.20688	2.2
446.08347	3.1
447.09213	20.9
447.21878	1.0
448.09409	1.7
527.28229	2.5
593.24176	1.8
608.22516	1.5
609.23389	31.7
610.23792	3.6
719.38586	1.2
755.29114	44.6
755.40631	1.9
756.29376	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	753.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36962	0.7
56.89252	0.5
59.01377	17.4
59.43779	0.6
61.98830	7.4
71.01373	3.4
78.95885	3.5
79.95739	0.9
80.96518	3.1
85.02962	0.8
87.00902	0.7
89.02448	1.1
94.98078	1.2
97.71016	0.6
98.20740	1.4
101.02437	2.0
113.02439	1.0
130.15062	0.6
151.11351	0.8
152.99533	1.1
153.12956	0.6
161.04506	0.8
164.98563	0.7
168.39250	0.7
169.12315	4.7
197.11821	80.3
198.12167	4.2
207.10362	0.6
219.63422	0.5
225.00768	0.8
225.11267	0.9
229.80650	0.7
235.08238	5.1
253.09276	8.5
255.23262	2.0
275.20251	0.8
277.21707	100.0
278.22083	11.0
306.24890	0.6
415.19928	1.3
433.20743	2.5
513.30707	0.9
699.44293	0.7
725.66992	0.7
753.40790	6.9
754.41412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98522	0.2
63.99247	0.6
71.01373	0.5
71.53735	0.2
73.02946	0.2
78.95917	0.3
78.98577	0.2
79.95753	0.5
80.96510	2.2
80.96960	0.2
85.02945	0.3
88.98807	0.2
93.03473	0.5
94.98101	0.3
96.96008	0.6
96.96996	0.3
101.02439	0.2
104.42964	0.2
108.66417	0.2
109.06596	0.5
111.95038	0.1
112.06724	0.1
113.02417	0.2
122.30784	0.1
125.02450	0.2
135.04543	0.5
163.11339	0.3
164.98627	0.2
165.79683	0.2
171.10355	0.2
181.12306	0.3
184.77318	0.2
191.05602	1.2
199.13402	0.2
207.10260	1.3
209.11836	0.8
211.13324	0.2
225.00793	0.5
225.11327	1.0
243.12415	0.5
253.09315	0.3
279.52600	0.2
343.41092	0.2
356.05032	0.2
415.21454	0.2
461.20532	0.5
479.20966	0.2
532.38464	0.2
651.30164	0.2
669.31769	0.3
687.32141	0.7
719.35339	0.2
754.33948	2.3
755.32947	0.8
782.27924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98837	1.7
66.25734	0.6
67.01890	2.0
69.03461	2.0
71.01385	2.9
71.53986	1.1
72.99332	0.6
75.11974	0.6
78.95900	1.0
79.01904	1.8
81.03468	1.3
85.02946	2.0
87.00874	1.3
88.98779	0.8
93.03456	19.3
95.01370	4.4
95.75545	0.6
95.98862	0.6
96.96004	3.7
97.02955	2.5
101.02470	1.3
107.01408	5.0
109.02972	0.7
110.96824	0.6
111.00874	2.4
113.02422	3.0
114.79708	0.6
121.02950	1.3
123.00885	13.7
124.01664	1.2
125.02444	82.6
126.02800	2.5
127.00410	0.8
135.04491	1.3
136.01610	1.6
136.98830	1.3
137.02446	32.7
138.02792	1.7
139.00385	5.1
140.01154	3.4
141.01968	0.7
147.04555	0.8
149.02417	2.0
151.00363	2.7
151.01535	0.6
151.03999	1.5
153.01949	2.0
161.02423	4.1
163.04010	1.1
165.01930	1.0
166.99878	5.4
167.03548	1.0
168.00664	4.8
168.53940	0.7
169.01416	100.0
170.01747	3.9
175.03976	0.8
177.01918	1.8
179.03488	10.4
191.03531	1.8
191.05649	5.3
193.01450	3.0
203.03506	0.6
205.01392	0.9
207.02937	2.2
209.04585	1.6
211.02336	0.7
221.00905	1.1
233.04529	1.6
235.02528	1.8
263.05685	0.9
281.06650	1.8
295.04590	3.2
313.05481	1.1
371.07739	0.7
415.06723	4.9
416.07025	0.9
433.07739	26.3
434.08096	3.5
483.99423	0.7
541.09698	9.4
542.09937	1.2
563.65625	0.6
585.08844	52.5
586.09161	8.6
603.10114	6.9
604.09924	1.4
755.11023	21.0
755.23340	0.8
756.11212	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22757	1.7
59.51203	1.7
61.98827	2.4
63.96216	2.0
67.41899	1.7
71.01376	7.8
71.96971	2.0
73.02914	2.4
78.95892	6.8
78.98572	5.2
79.95745	13.3
80.96519	76.6
85.02924	2.7
87.00877	3.1
94.98081	14.2
101.02419	2.2
106.98112	2.1
122.97532	2.7
125.01020	2.5
125.02407	3.1
134.97545	4.3
143.68800	1.8
148.99127	5.1
149.58319	2.1
152.98611	5.0
152.99666	3.1
164.98602	15.2
196.89461	6.0
206.99586	2.3
225.00813	18.2
255.23326	4.1
278.99231	2.1
307.26480	2.8
453.14487	3.1
604.45325	2.2
688.49268	2.1
709.38489	8.8
735.40802	2.5
753.40912	100.0
754.41217	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70723	0.7
59.01369	8.1
61.98818	1.1
64.23061	0.8
68.99818	5.9
69.03461	1.9
70.12907	3.3
71.01382	10.6
72.99307	1.6
73.02933	1.2
78.26056	1.0
78.95917	2.0
81.03440	1.3
83.01371	2.0
83.05032	3.0
85.02937	2.9
87.00878	3.3
89.02450	2.8
91.06245	0.9
93.03441	1.2
95.01375	1.8
96.96013	1.5
97.02959	3.5
97.06568	2.2
99.00871	1.0
101.02430	5.9
109.02927	1.1
109.06596	1.7
110.03736	2.1
111.00852	1.8
111.04528	12.1
111.08143	2.0
113.02439	3.0
119.03544	1.4
123.04524	1.8
123.08201	1.3
124.30350	0.8
125.09724	4.2
135.08127	1.1
141.01909	1.4
145.04933	1.0
147.79774	1.0
151.11259	2.7
153.09180	1.1
161.04532	2.5
161.09711	6.0
171.10258	40.8
172.10579	2.5
177.09195	5.0
179.10770	7.5
185.11783	2.2
191.05606	2.4
195.10342	0.9
195.13908	11.3
196.14510	1.1
197.11909	4.2
199.09784	1.6
205.08661	15.8
207.10255	3.9
209.11813	2.4
211.13402	1.9
213.11365	3.8
223.09743	39.3
223.13167	7.4
224.09996	1.1
225.11327	2.9
235.08142	4.3
241.10831	2.9
253.09277	17.4
254.09709	1.7
256.13217	1.9
265.14783	2.7
275.20102	8.4
276.20251	1.2
289.18335	0.9
291.19598	1.4
293.21216	100.0
294.21570	9.1
309.20551	1.3
377.81604	1.0
407.19217	1.3
441.17569	2.3
459.18533	5.4
477.19580	1.1
499.30365	1.1
517.31641	1.1
529.30103	1.7
685.44019	1.0
709.37946	2.0
735.39587	9.9
736.40070	3.6
753.40674	19.8
754.41113	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	753.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76560	1.0
55.01856	0.8
57.03424	1.7
59.01382	15.9
61.98824	5.5
69.03442	3.5
69.92580	3.0
70.33717	0.8
71.01376	11.7
71.05019	1.6
72.39515	0.8
72.99318	1.3
73.02938	1.9
75.00852	2.9
80.02663	1.8
81.03472	1.0
83.01402	1.7
83.05021	5.5
85.02941	3.4
87.00861	2.9
89.02453	6.3
93.03455	1.1
95.01404	1.3
95.05037	1.9
97.02938	6.3
97.06575	2.9
99.00871	1.4
101.02437	7.9
109.06587	18.6
110.03726	1.7
111.04485	1.3
111.08160	8.3
113.02422	4.7
121.06596	1.4
123.04488	1.8
123.08167	1.2
125.06046	1.2
125.09699	3.7
127.07668	1.1
127.95518	1.0
135.08138	3.2
136.05293	1.4
142.02643	1.4
143.03481	1.5
145.05052	1.1
151.11266	3.1
153.12840	1.7
161.04518	3.3
161.09685	3.8
163.11272	14.6
165.12816	2.8
169.12296	4.0
171.10219	2.6
177.12733	0.9
179.05582	1.3
179.10745	5.9
181.12372	6.6
183.13893	1.2
185.11824	1.5
189.09238	1.6
191.05617	1.3
191.14288	1.2
195.13893	3.4
197.11819	95.7
198.12152	5.9
199.13364	3.1
207.10252	66.9
208.10660	4.4
209.11812	58.9
210.12129	4.4
211.13434	6.4
223.09781	2.0
223.13387	1.7
225.11330	28.8
226.11732	1.9
227.12840	6.8
235.08238	5.6
239.12871	0.9
241.10680	3.1
245.19025	3.2
253.09305	23.6
254.09552	1.4
263.20117	4.3
265.18045	1.2
275.50305	0.9
289.18060	14.7
290.18387	1.1
291.19672	13.0
292.19791	1.1
293.21332	9.6
307.19107	15.4
308.19470	2.1
309.20700	53.4
310.20963	5.9
315.75937	1.0
332.07355	0.9
443.18997	3.1
445.20947	1.5
461.20297	9.5
477.20096	1.8
543.28253	1.3
648.77563	0.9
692.18787	0.9
735.28015	1.0
735.39667	3.7
753.40607	100.0
754.40820	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65026	0.1
59.77446	0.1
61.98829	100.0
62.98535	0.2
63.99254	0.2
66.94093	0.1
68.29791	0.1
68.43972	0.1
69.38034	0.9
77.61214	0.1
80.91692	0.4
82.95419	0.4
96.96025	0.2
162.04880	0.2
191.05618	0.2
209.11868	0.4
211.13602	0.2
250.23836	0.1
279.69891	0.1
523.55804	0.1
753.31744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
57.03456	1.4
57.98419	0.9
59.01377	16.4
61.98827	2.2
69.03461	1.4
71.00800	2.0
71.01378	10.6
73.02954	2.1
78.54118	0.8
80.02668	2.3
81.03454	3.7
83.01399	2.1
83.05031	7.8
84.02160	1.6
85.02940	3.4
87.00866	2.3
89.02448	6.9
91.82779	0.7
93.03435	1.0
95.01341	1.0
95.05037	1.4
97.02940	9.4
97.06569	2.6
99.00861	1.6
101.02453	7.3
106.04241	1.1
106.73152	0.8
107.05042	1.4
109.06591	36.0
110.03736	1.7
110.06927	1.6
111.00891	1.6
111.08144	10.5
113.02470	4.8
119.03451	1.1
121.06575	3.0
123.04529	2.2
123.76038	0.9
125.02493	1.2
125.09706	4.0
126.97665	0.8
131.47552	1.0
135.08170	5.0
136.05287	2.7
137.09639	1.2
141.09299	0.9
142.02725	1.3
143.03403	1.0
145.05028	1.2
153.12831	2.0
161.04530	3.8
161.09705	2.7
163.11284	24.3
164.11595	1.7
165.12794	2.9
169.12358	5.3
171.10283	1.5
177.95741	0.8
179.10783	2.0
181.12378	5.5
181.13728	1.1
185.11760	3.5
189.09189	2.7
191.10768	1.3
191.14401	2.6
197.11826	50.8
198.12119	2.7
199.13396	2.9
207.10249	100.0
208.10590	6.1
209.11818	92.0
210.12144	5.7
211.13387	8.2
225.11308	38.0
226.11639	2.0
227.12891	11.3
235.08218	7.0
237.11302	2.2
245.19034	7.4
249.14973	1.0
253.09280	31.1
254.09641	1.8
263.20209	4.2
265.18243	1.8
271.16965	1.5
289.18073	30.7
290.18307	2.9
291.16644	1.7
291.19647	17.3
292.20145	1.8
307.19098	25.4
308.19418	2.2
309.20715	65.9
310.21103	5.7
443.19321	4.3
461.20233	13.1
462.20758	1.7
476.00806	0.9
499.30414	2.8
507.82645	1.1
545.29980	1.4
637.32245	1.9
655.34686	1.4
735.39417	2.8
753.40607	37.9
754.41022	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	752.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
62.99245	0.1
71.01382	0.2
78.91946	0.1
80.96513	0.1
122.00422	0.1
152.30524	0.1
191.05663	0.3
209.11835	0.3
319.92249	0.1
451.52850	0.1
590.49500	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	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46137	0.3
55.01883	0.8
57.03440	0.9
59.01375	6.6
61.98835	0.7
69.03451	2.6
71.01374	5.7
71.05023	0.7
71.52586	0.4
71.53262	0.3
71.70152	0.3
72.99300	0.3
73.02954	1.0
78.95896	0.3
81.03462	0.4
83.01388	0.5
83.05026	0.8
85.02954	1.0
87.00877	0.8
89.02445	3.6
93.03477	0.7
95.01402	0.8
95.05035	0.5
97.06606	0.5
99.00880	0.4
101.02436	3.9
109.06566	1.2
111.08154	8.6
113.02435	2.2
119.03502	0.9
123.08163	0.4
125.09724	0.3
135.11806	0.5
141.09282	0.3
143.03520	0.3
145.04996	0.7
149.09680	0.6
151.11285	0.4
153.09203	0.4
153.12802	0.6
159.99873	0.3
161.04488	1.6
167.10742	3.0
169.12315	3.1
177.12830	0.8
179.05650	0.9
179.10760	1.6
179.14375	3.4
181.12354	0.8
191.05681	0.7
195.13907	9.6
196.14166	0.4
197.11819	40.4
198.12160	2.2
199.13399	2.3
205.12312	10.3
206.12732	0.6
207.10269	0.6
209.11871	0.5
211.13390	5.7
221.11867	0.5
223.13383	100.0
224.13741	6.5
225.11314	0.5
225.14914	0.3
227.12874	1.1
229.19513	0.4
235.08203	4.8
239.12845	0.5
247.20891	0.3
249.14923	0.4
253.09277	16.2
254.09537	0.7
263.20145	1.3
265.18076	1.0
273.18613	0.9
291.19638	12.6
292.20016	1.5
293.21173	1.0
307.19061	0.3
309.20688	44.7
310.21033	5.1
365.73712	0.3
433.20801	0.8
438.01480	0.4
441.21265	0.4
459.22348	10.6
460.22525	1.4
515.33600	0.7
545.29657	1.5
751.42523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83519	1.2
57.03451	2.5
58.00592	1.6
59.01377	14.9
59.72453	1.1
61.98823	6.1
69.03445	2.5
71.01389	10.6
71.39628	1.0
71.52564	1.7
73.02953	3.2
73.17844	1.1
75.04642	1.1
78.95894	2.3
81.03446	2.4
83.01400	1.4
83.05025	7.1
85.02959	7.7
87.00879	1.8
89.02428	6.8
95.01387	2.0
95.05009	6.0
97.02947	3.3
99.00882	1.4
101.02003	0.9
101.02451	9.1
106.04179	1.4
109.06571	3.1
110.03723	1.1
111.04502	2.7
111.08140	7.3
113.02431	4.3
113.06142	1.2
116.92852	1.6
119.03468	1.3
123.08123	1.1
145.05070	1.4
149.09682	2.0
161.04523	3.8
165.12776	1.6
167.10710	4.1
171.10274	2.2
175.11378	1.4
177.09183	1.3
177.12819	11.7
179.05585	2.4
179.10820	2.4
179.14369	3.5
183.13902	1.6
191.05615	1.4
193.12286	2.0
195.13884	23.1
197.11809	4.0
203.10751	2.9
205.12325	6.5
209.11671	1.8
211.13348	7.7
221.11813	61.7
222.12076	3.5
223.13373	59.9
224.13776	6.0
234.27565	1.2
235.08128	6.1
236.56865	1.3
239.12875	100.0
240.13097	7.1
253.09277	26.0
256.12885	1.8
275.20203	8.1
291.19653	52.2
292.19992	5.2
293.21216	90.8
294.21573	8.9
309.20667	1.5
457.20465	4.8
459.22208	2.0
475.21783	12.7
476.22134	1.7
497.32504	2.6
522.34277	1.3
540.06720	1.4
751.42566	11.0
752.43463	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	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46137	0.3
55.01883	0.8
57.03440	0.9
59.01375	6.6
61.98835	0.7
69.03451	2.6
71.01374	5.7
71.05023	0.7
71.52586	0.4
71.53262	0.3
71.70152	0.3
72.99300	0.3
73.02954	1.0
78.95896	0.3
81.03462	0.4
83.01388	0.5
83.05026	0.8
85.02954	1.0
87.00877	0.8
89.02445	3.6
93.03477	0.7
95.01402	0.8
95.05035	0.5
97.06606	0.5
99.00880	0.4
101.02436	3.9
109.06566	1.2
111.08154	8.6
113.02435	2.2
119.03502	0.9
123.08163	0.4
125.09724	0.3
135.11806	0.5
141.09282	0.3
143.03520	0.3
145.04996	0.7
149.09680	0.6
151.11285	0.4
153.09203	0.4
153.12802	0.6
159.99873	0.3
161.04488	1.6
167.10742	3.0
169.12315	3.1
177.12830	0.8
179.05650	0.9
179.10760	1.6
179.14375	3.4
181.12354	0.8
191.05681	0.7
195.13907	9.6
196.14166	0.4
197.11819	40.4
198.12160	2.2
199.13399	2.3
205.12312	10.3
206.12732	0.6
207.10269	0.6
209.11871	0.5
211.13390	5.7
221.11867	0.5
223.13383	100.0
224.13741	6.5
225.11314	0.5
225.14914	0.3
227.12874	1.1
229.19513	0.4
235.08203	4.8
239.12845	0.5
247.20891	0.3
249.14923	0.4
253.09277	16.2
254.09537	0.7
263.20145	1.3
265.18076	1.0
273.18613	0.9
291.19638	12.6
292.20016	1.5
293.21173	1.0
307.19061	0.3
309.20688	44.7
310.21033	5.1
365.73712	0.3
433.20801	0.8
438.01480	0.4
441.21265	0.4
459.22348	10.6
460.22525	1.4
515.33600	0.7
545.29657	1.5
751.42523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68114	0.9
59.01376	8.1
61.98830	100.0
69.03468	1.6
70.68211	1.8
70.68543	1.0
70.90919	0.9
71.01390	7.1
75.00851	1.0
78.95914	1.2
79.50581	0.8
79.95762	1.3
80.02678	2.3
80.96532	4.0
81.03461	2.8
83.01381	2.3
83.05018	10.7
84.02171	1.2
85.02955	4.4
87.00883	2.3
88.98808	2.5
89.02451	4.4
93.03477	3.0
96.96032	1.9
97.02988	1.0
98.19997	1.1
101.02449	6.7
109.06596	1.4
113.02467	3.4
114.09435	0.9
116.92783	0.9
125.02457	1.3
135.08136	1.4
151.11311	2.6
151.92230	1.1
153.12875	3.2
161.04584	1.6
163.11237	4.8
165.12889	4.1
169.01468	1.3
169.12332	43.0
170.12776	2.3
179.10713	1.2
181.12399	1.4
191.05579	12.2
192.05962	1.0
197.11824	76.5
198.12198	4.8
209.11818	97.7
210.12154	4.6
225.00725	1.5
227.12866	6.8
253.09286	7.1
256.36902	0.9
365.61871	1.0
451.30151	1.0
645.92719	1.2
687.32397	32.4
688.32813	6.9
689.33618	1.1
719.34930	56.8
720.35223	13.8
733.88110	1.2
751.38043	52.1
752.38409	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	751.391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
58.76376	0.7
59.01376	16.4
61.98819	3.6
67.18019	0.7
69.03454	2.3
69.04191	0.7
71.01376	9.5
71.53638	1.1
72.32679	0.7
72.59428	1.0
73.02943	3.1
74.69994	0.8
78.95882	1.3
79.32366	0.8
80.02656	2.1
81.03444	4.6
83.01402	3.3
83.05029	6.1
85.02967	4.9
87.00861	2.8
89.02442	5.9
93.03457	1.5
95.01379	2.1
95.05008	1.7
97.02954	10.9
97.06604	3.8
97.43896	0.7
99.00877	2.8
99.92561	1.4
101.02442	9.1
106.04268	0.9
107.05023	2.1
108.02213	1.0
109.06591	37.9
110.03712	2.2
110.06984	1.6
111.04506	0.8
111.08203	1.0
112.98530	1.3
113.02432	4.5
116.92859	31.1
117.92871	1.1
119.03516	0.8
120.48268	0.8
121.06590	2.8
123.04520	4.0
123.08152	2.0
125.02445	3.0
125.06086	1.2
125.09727	7.7
130.90417	0.7
135.04553	1.0
135.08151	7.3
136.05292	2.0
137.06035	0.9
137.09695	3.0
142.02679	2.8
145.05055	1.6
145.10196	1.2
149.09676	1.0
151.11253	1.4
161.04514	3.6
161.09731	4.0
163.11285	21.3
164.11580	1.4
165.09258	1.1
165.12813	2.2
169.01424	2.0
170.63947	0.9
171.10229	1.9
177.12793	1.2
179.10710	2.0
181.12326	6.4
185.11848	7.4
187.09729	2.0
187.11256	0.9
189.09236	2.6
191.05611	1.0
191.10797	1.1
191.14369	5.7
195.13849	1.9
197.11789	2.7
205.12350	1.5
207.10251	100.0
208.10544	7.0
209.09885	1.7
209.11819	27.5
210.12166	2.5
211.13326	1.3
221.11835	2.0
223.13396	15.6
224.13658	1.1
225.11311	42.6
226.11789	3.9
235.08208	6.4
237.11215	2.7
239.12903	1.8
243.17487	1.2
245.19069	9.5
246.19389	1.0
253.09279	16.6
263.20126	1.7
271.17130	1.6
277.21634	1.0
287.16547	2.3
289.18085	36.4
290.18320	3.9
291.19650	3.7
293.21158	1.9
299.14911	1.7
305.17404	1.9
307.15576	1.6
307.19135	30.4
308.19455	4.0
309.20709	7.6
323.21982	1.0
327.19678	1.2
335.46326	0.9
345.20834	1.3
387.21515	1.1
399.21661	4.9
409.85324	0.8
417.22891	3.7
443.19220	4.5
461.20294	14.0
461.26398	0.7
462.20633	1.4
469.29626	0.9
471.31387	1.4
479.28043	2.9
497.29190	5.6
498.29074	1.0
515.30243	2.1
611.30463	1.5
635.30450	7.6
636.31024	1.7
653.31958	5.4
715.37152	4.1
716.38074	0.9
733.38300	8.4
734.38452	3.2
734.52478	0.8
751.39124	32.1
752.39563	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	750.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.2
61.98828	100.0
62.98527	0.2
74.70557	0.1
78.95915	0.7
83.05044	0.2
90.75455	0.2
105.01160	0.1
109.06618	0.2
112.62147	0.2
118.95963	0.1
121.22035	0.2
125.06018	0.1
141.46027	0.1
163.11247	0.1
164.65268	0.2
191.05730	0.2
197.11852	0.3
207.10342	0.3
209.11810	1.6
211.13495	0.5
225.11356	0.2
227.12921	0.2
234.11903	0.2
244.32335	0.1
293.21384	0.2
305.17474	0.2
311.22244	0.9
498.86343	0.2
600.71484	0.2
718.39502	0.2
718.76569	0.2
750.42743	0.8
751.41455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75451	0.3
59.01372	1.0
60.99298	0.7
61.98827	2.8
67.01570	0.3
67.01888	1.9
69.03430	1.3
71.01385	1.0
71.53737	0.5
77.03955	1.0
83.01372	0.3
83.04999	0.3
84.50113	0.3
85.02947	2.4
86.67178	0.3
87.00882	2.6
93.03458	11.7
94.03775	0.6
96.96018	0.8
97.02955	3.8
108.02189	0.3
109.02956	1.3
111.04517	1.7
113.02415	0.5
119.44644	0.3
121.02946	5.1
123.00850	0.5
124.68690	0.3
125.02409	0.6
125.68737	0.3
127.03966	0.5
129.01967	0.3
132.02139	0.4
133.02943	1.3
134.03738	2.1
135.04523	3.9
135.65721	0.3
137.02440	22.4
138.02792	0.6
139.03946	0.3
150.03218	1.0
151.03992	1.1
155.03493	0.4
160.01649	2.1
161.02370	0.6
162.03204	1.1
165.01924	100.0
166.02280	4.2
169.01361	0.7
173.04520	4.4
177.01912	1.0
178.02699	0.9
179.03503	1.1
191.05608	24.4
192.05960	0.9
195.06645	0.6
218.55441	0.3
231.10324	0.8
233.66254	0.4
255.89563	0.3
257.08154	1.2
275.09171	3.7
276.09796	0.3
301.03513	34.6
302.03876	3.4
307.08432	0.3
308.08997	0.6
351.07239	0.6
352.07968	1.3
364.65488	0.3
404.14691	0.4
449.14493	19.8
450.14731	2.3
496.33566	0.3
559.25854	0.5
578.26099	0.3
751.31189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
60.99301	0.9
61.98829	100.0
69.22540	3.4
69.22946	1.1
71.01385	1.7
72.07676	0.5
72.99314	1.3
78.91498	0.6
78.91885	2.3
79.95746	0.4
81.03479	0.5
83.05023	1.3
87.00889	0.5
88.98804	6.1
89.02454	0.9
96.96018	0.5
98.19855	0.8
101.02451	1.2
107.00430	0.5
113.02485	0.7
116.92881	0.6
118.57794	0.5
135.04556	0.6
163.11281	1.5
165.12863	0.9
183.13823	1.1
191.05658	1.5
191.10901	0.6
193.12369	0.7
207.10298	0.7
209.11819	38.1
210.12196	2.8
211.13382	28.4
212.13818	2.3
227.12848	5.0
235.08286	1.5
253.09274	2.6
297.88605	0.5
429.21753	0.5
445.20822	1.5
446.21063	0.7
447.22342	1.8
639.34576	0.6
749.31726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65583	0.5
59.01366	1.1
61.98844	2.6
62.95779	0.5
63.96225	2.0
69.03445	0.7
71.01373	9.8
73.02944	2.1
77.08274	0.5
78.95889	2.6
78.98583	7.1
79.95728	16.9
80.96510	88.4
81.03463	1.3
82.96120	1.3
85.02940	3.3
87.00874	3.1
94.98083	19.2
95.01395	0.8
96.95985	1.7
97.02940	2.1
98.19835	1.2
99.04530	0.6
101.02447	3.1
106.98073	3.7
122.97572	7.8
125.02467	3.4
125.79662	0.5
127.03948	1.3
134.97583	5.5
135.82991	0.5
136.99132	1.8
148.99133	7.6
152.98618	7.4
152.99733	0.8
164.98607	14.3
167.00189	0.7
178.88638	0.5
194.90021	1.7
196.89421	3.1
206.99602	2.9
211.13385	1.9
225.00714	18.1
255.23218	2.6
277.21609	1.4
279.68353	0.6
283.04971	0.8
493.17291	3.6
537.27423	1.7
594.81494	0.5
683.63208	0.7
749.41382	100.0
750.41583	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	749.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	5.3
63.96210	2.1
69.03456	0.9
71.01375	9.1
77.50928	0.7
78.95903	2.0
78.98577	6.4
79.95736	15.1
80.96512	73.9
81.03438	1.1
85.02943	3.4
87.00874	2.9
89.64294	0.9
94.98084	17.9
96.95990	1.8
97.02930	1.3
101.02411	2.7
106.98069	2.4
111.37309	0.9
122.97587	8.2
124.97096	0.9
125.02438	2.3
127.03933	1.0
134.97569	4.4
136.99074	1.7
148.99100	6.7
152.98595	7.0
152.99562	1.0
164.98607	11.8
206.99672	2.7
211.13380	2.1
225.00751	17.3
255.23216	3.6
277.21750	2.0
281.03232	1.0
293.21130	1.1
298.06128	0.9
358.59598	1.1
493.17209	2.7
534.19641	1.0
537.27509	1.2
749.41406	100.0
750.41638	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	750.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29239	0.2
61.98828	100.0
62.98533	0.3
70.85175	0.4
81.11080	0.1
84.18043	0.2
87.86171	0.2
93.18215	0.2
191.05460	0.2
209.11839	0.2
293.21234	0.2
587.25403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61110	1.7
58.00586	2.0
59.01376	51.6
61.98822	10.5
62.62522	1.4
64.58994	1.4
67.01870	3.9
69.03455	99.6
70.54843	4.8
71.01380	23.8
73.02942	4.3
78.95866	2.7
85.02956	9.5
87.00878	2.1
89.02433	17.4
93.03451	3.7
93.51903	1.6
95.01389	5.4
95.05020	27.5
95.89150	1.5
96.95979	3.4
101.02435	15.9
106.04227	8.4
111.00890	2.3
113.02443	17.9
119.03475	9.1
121.02946	10.1
121.06593	38.3
123.04523	5.1
125.02422	4.5
135.04485	3.4
139.00368	10.1
139.07617	7.1
150.03110	2.6
161.04521	3.5
163.03996	1.8
164.04776	4.3
165.05528	13.7
169.01454	2.2
173.04504	2.0
176.10020	1.7
179.03452	1.8
179.07127	4.5
183.06607	5.4
191.05606	21.4
195.06563	1.6
195.13921	7.5
199.53568	1.5
209.02870	2.3
209.04532	14.7
209.11839	2.1
210.04749	2.4
312.43478	1.6
327.11371	1.6
335.67892	1.6
345.11951	3.9
357.19141	8.1
375.20160	29.3
376.20380	1.9
449.14691	1.7
471.30588	1.7
703.31671	45.1
704.32587	8.8
747.30804	100.0
748.31006	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	747.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
59.41418	0.3
60.83454	0.3
60.99305	16.4
61.98829	9.4
69.03436	0.2
71.01381	0.7
71.52453	0.4
78.95911	0.7
85.74834	0.3
87.00880	0.6
88.00401	1.0
88.98803	100.0
89.02439	3.2
89.99136	1.2
93.03455	0.2
109.06555	0.5
125.02399	0.5
125.09657	0.3
136.18465	0.3
152.52286	0.3
163.03993	0.4
163.11270	0.4
169.01477	0.4
171.10271	0.3
173.04382	0.3
191.05588	2.3
197.11819	0.4
207.10284	1.8
209.11826	1.2
211.13383	3.3
225.11365	1.0
227.12973	0.3
253.09187	0.4
370.82364	0.3
376.60019	0.3
401.23331	0.4
615.08679	0.3
637.32275	1.0
639.62543	0.3
655.33276	0.7
722.43719	0.3
747.32336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.6
61.98824	4.9
64.03448	2.7
70.24971	9.3
71.01389	19.8
78.95891	3.8
79.54409	2.7
85.02931	2.9
89.02444	22.7
98.19859	2.6
101.02444	12.1
113.02442	7.6
119.03476	15.2
121.46315	2.9
121.67507	2.8
122.97604	3.3
152.99524	3.4
169.73978	2.5
179.05562	9.8
224.00685	2.5
225.22191	5.7
255.23225	4.7
256.23645	3.2
271.22977	3.1
296.25934	2.7
383.47736	3.2
532.46802	16.3
533.47498	4.6
550.48425	7.4
712.53552	100.0
713.54095	27.5
748.51227	22.5
749.51910	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	747.287
Annotation	Alangisesquin D
Peak:m/z	Relative Intensity
56.37881	0.7
59.01380	8.0
68.99827	0.7
70.26736	0.6
71.01384	7.5
72.99294	0.6
73.02944	1.7
85.02955	2.6
87.00883	1.2
88.98840	0.8
89.02438	5.2
89.90012	0.8
93.03461	4.1
95.01405	1.0
101.02431	4.6
108.02153	0.8
113.02468	2.2
115.41484	0.6
119.03500	2.4
121.02939	6.3
122.03736	17.0
123.04535	1.0
133.02980	1.7
134.03650	0.7
135.04568	1.0
136.01659	3.0
137.02322	0.8
137.37375	0.6
149.02443	22.2
149.06015	0.9
150.03223	100.0
151.00394	0.9
151.03554	5.9
161.04662	0.8
164.04790	4.3
165.05565	88.6
166.02762	1.3
166.05914	6.0
172.09177	0.7
179.05643	1.6
180.04271	6.5
181.04829	1.4
191.05620	2.9
195.06613	48.4
196.06911	4.4
250.26302	0.7
296.06915	0.7
297.07474	1.1
298.08353	1.4
300.09738	0.8
310.08517	0.9
311.09143	2.3
313.10999	1.5
325.10715	1.0
326.11826	0.7
341.10251	1.5
342.10669	0.7
343.11838	0.9
344.12576	1.6
345.13223	1.0
356.12561	1.6
357.13577	1.5
359.14624	3.5
371.14865	3.9
387.14081	1.0
388.14777	1.0
461.15915	0.7
491.15726	2.2
503.15350	3.6
506.17859	3.4
507.19305	1.2
518.17523	1.0
519.19879	1.3
521.20209	30.0
522.20483	4.0
533.20221	34.4
534.20752	6.1
537.20563	1.9
551.21240	4.3
567.22284	0.8
669.25214	1.1
681.25385	9.1
682.25458	1.9
699.14185	0.9
699.26532	16.9
700.26495	2.9
729.26813	1.2
747.28693	12.4
748.28754	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	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62953	1.2
59.01165	1.1
59.01381	13.6
67.59058	1.4
70.86137	3.6
71.01379	10.5
72.99314	1.7
73.02946	2.9
85.02960	3.6
87.00883	2.1
89.02442	4.8
93.03439	6.3
95.01363	1.8
99.00821	1.7
101.02466	6.9
113.02424	4.1
116.61887	1.6
121.02929	5.6
122.03730	14.8
133.02942	1.6
136.01584	1.6
149.02446	21.3
149.06047	1.9
150.03221	100.0
151.03595	4.2
164.04727	3.5
165.05563	65.5
166.05867	4.9
174.06844	3.0
180.04222	6.4
181.04950	2.7
181.73990	1.5
193.38129	1.5
195.06609	35.5
196.07051	2.7
207.02635	1.3
277.58749	1.6
296.06747	1.9
298.08337	1.9
304.18137	1.3
311.09274	3.3
312.09836	1.5
313.10620	1.4
341.10104	1.5
342.11020	2.0
344.12521	2.5
357.13501	2.5
359.15045	3.3
371.14905	4.7
401.13275	1.5
404.31595	1.5
491.14972	1.9
503.15326	4.3
506.17856	4.4
507.19885	1.9
519.20056	11.7
520.20483	2.5
521.20172	29.5
522.20563	2.9
533.20148	28.9
534.20331	4.7
537.21191	1.8
567.22150	5.9
669.25549	2.6
681.25531	32.9
682.26227	6.8
699.26453	38.6
700.25952	8.7
729.26923	2.3
747.28680	21.9
748.28741	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	747.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14371	0.9
57.06376	0.8
59.01374	3.0
61.49215	0.9
61.98816	1.0
68.14118	0.9
71.01371	1.6
71.53539	0.9
71.53964	1.3
85.02898	1.3
89.02409	1.4
93.03461	6.4
95.05000	1.1
96.96053	1.1
101.02401	1.1
107.05006	0.9
108.02135	1.5
109.02948	4.0
119.03478	0.9
121.02952	13.8
122.03738	13.8
123.04494	2.0
125.02378	1.4
132.02162	1.8
133.02919	4.0
134.03722	1.8
135.04538	5.5
136.01634	3.5
136.05272	1.1
137.02426	2.1
145.02954	1.9
147.04495	2.8
149.02438	31.8
149.06041	3.5
150.03223	100.0
151.03679	5.7
161.02368	2.6
162.03206	1.2
163.03981	5.5
164.04761	8.7
165.05560	96.4
166.02690	1.4
166.05861	4.7
173.06053	1.7
174.03189	1.5
175.03993	9.0
176.04666	1.3
177.01843	1.0
177.05519	3.6
179.03484	11.1
179.07158	2.7
179.32071	0.9
180.04272	12.7
181.04990	1.6
188.04814	2.5
189.05525	4.5
190.04921	1.2
190.06364	11.0
191.03964	1.0
191.05556	5.1
191.07094	9.3
192.04211	0.9
192.07458	1.5
193.04997	4.9
194.05829	13.8
195.06602	54.6
195.69136	1.1
196.06961	3.2
203.07085	1.1
205.08702	10.7
207.06586	5.1
208.07375	8.1
209.08122	7.9
222.08896	1.7
223.09769	1.1
288.74832	1.0
297.07788	1.1
297.11212	1.8
327.12317	2.0
343.12097	1.1
344.12643	2.3
345.13174	3.6
353.13809	1.1
356.12537	1.2
357.13458	5.8
358.13959	2.3
359.15002	54.7
360.15210	7.1
371.14926	1.1
374.13669	1.4
388.15039	1.6
389.16153	4.7
432.35150	1.0
507.20105	4.1
522.19452	1.5
537.21265	68.3
538.21484	12.0
555.22357	1.2
567.22131	4.6
568.22162	1.6
585.23401	60.4
586.23761	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	745.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.8
61.98819	7.2
69.03432	1.8
71.01374	2.9
71.53458	1.7
78.95881	6.0
88.98824	1.5
89.02438	2.1
93.52312	1.1
98.01781	1.1
101.02416	2.0
113.02428	1.4
119.03448	1.1
152.99573	5.2
161.04579	1.3
162.74594	1.1
167.10693	2.1
179.14409	2.5
183.13895	7.2
191.05711	1.4
193.12360	1.3
195.13901	6.3
205.12320	7.7
211.13379	100.0
212.13681	6.5
223.13374	71.6
224.13669	4.5
235.08096	3.0
253.09271	5.9
253.21687	1.7
281.24838	8.8
292.48422	1.0
329.14310	1.1
399.25369	2.2
441.21072	2.9
447.22375	8.5
456.23242	1.2
459.22247	11.4
462.60437	1.3
509.28769	8.5
635.34692	2.7
653.35382	4.1
654.35242	1.6
745.50433	1.4
773.29944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.6
59.01379	42.0
69.03453	36.4
69.55949	5.1
69.56371	2.6
71.01379	26.6
71.01777	1.5
74.04093	1.2
85.02929	5.4
87.00861	1.1
89.02440	30.0
90.02794	1.0
93.03463	10.5
97.02948	48.9
98.20631	2.1
101.02428	12.5
105.03437	2.2
113.02435	10.7
119.03484	11.5
121.02949	1.2
121.06582	2.1
123.04505	10.5
131.03470	1.2
141.01956	2.4
149.06065	18.6
161.04521	2.0
167.07103	6.8
179.05559	4.2
193.05037	43.8
194.05371	2.4
212.94794	1.2
373.11356	100.0
374.11670	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	745.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
59.01378	66.3
61.66851	1.0
67.01867	2.8
68.99820	2.8
69.03453	100.0
69.20984	6.6
69.21405	3.9
70.03773	2.1
71.01380	22.7
72.99288	1.6
73.02929	2.0
83.01352	1.6
83.55695	1.1
85.02932	4.9
87.00882	1.9
89.02437	24.4
93.03457	2.1
93.07061	1.3
95.01371	4.4
95.05025	23.9
97.02927	3.3
101.02441	16.1
106.04256	7.6
108.88165	1.4
111.00868	3.8
111.04525	1.6
113.02450	16.5
119.03503	8.9
119.05030	2.1
120.28894	1.2
121.02950	17.4
121.06589	45.5
122.03253	1.4
122.06902	1.5
123.04523	15.2
124.04847	1.8
131.05057	1.2
139.00369	12.2
139.03970	3.3
139.07643	5.8
147.04498	2.3
149.02429	7.2
149.06059	6.0
150.03224	3.0
161.04512	1.5
165.05542	19.1
166.05907	1.5
179.05583	5.8
183.02910	2.6
183.06578	7.0
191.03604	1.4
191.05476	2.7
193.05080	5.8
195.06648	1.9
209.04535	12.1
227.18245	1.3
253.07126	2.5
275.20737	1.1
345.11859	29.1
346.12238	1.9
355.10349	3.4
371.09805	1.7
373.11389	3.6
387.14294	1.6
389.10901	18.2
390.10959	1.4
415.12469	4.7
475.14844	1.5
535.19788	2.2
589.95233	1.4
661.85803	1.3
701.22906	26.2
701.34631	2.0
702.23657	5.3
745.21942	90.3
746.22302	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
58.00579	2.0
59.01376	40.3
59.55471	0.8
61.98823	4.5
69.34762	6.6
69.35192	1.6
71.01377	35.5
72.99293	2.1
73.02943	3.5
73.99104	0.9
78.77144	0.8
83.01395	1.3
85.02944	8.9
87.00877	1.8
89.02441	33.0
93.03435	4.6
95.01390	3.2
95.64339	0.9
99.00830	1.3
101.02441	17.0
105.03458	1.0
108.47448	1.2
111.42207	0.9
113.02441	13.5
119.03496	11.7
121.02935	7.0
122.03735	18.1
123.00890	1.7
125.02445	2.3
131.03511	2.2
135.04471	1.8
136.01660	2.8
137.02461	1.2
138.03188	1.5
143.03548	5.6
147.04471	1.2
149.02428	27.5
149.04420	1.2
150.03220	100.0
151.03644	5.4
153.05592	2.1
161.04562	6.3
164.04791	5.5
165.05562	89.2
166.02689	1.7
166.05907	4.2
177.05618	1.3
179.05609	15.4
180.04309	6.7
181.04976	2.5
190.06133	1.0
191.05617	6.2
195.06607	48.0
196.06949	2.5
203.07185	2.6
227.75131	0.9
238.06366	1.3
274.70593	1.0
283.09579	1.3
309.07803	2.3
324.10083	4.6
325.10474	1.1
339.08743	1.4
339.12344	9.6
340.12927	1.2
341.13977	1.2
355.11771	1.2
357.13251	4.2
369.13391	13.0
387.14429	5.7
389.21667	1.0
449.15762	1.6
455.11566	1.0
505.18579	2.7
517.18610	5.0
519.18390	1.9
531.18799	5.7
535.19659	31.5
536.19794	6.1
583.21515	6.2
584.21625	1.3
596.74707	1.0
667.23071	1.1
697.24976	21.2
698.25183	4.9
745.27094	13.1
746.26837	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26587	3.8
61.98812	10.9
64.07420	3.5
71.52875	3.9
74.43803	3.2
78.95902	100.0
93.36274	3.6
94.03614	3.8
94.27033	3.5
96.96942	7.6
114.03422	3.8
152.99567	50.1
165.27213	3.8
171.10229	7.3
196.89523	30.3
197.11833	4.4
209.11801	7.3
211.13428	11.7
253.21512	4.5
255.23219	10.1
256.03879	3.6
277.21579	15.6
279.23331	19.7
281.24887	8.6
282.45728	4.1
295.22708	13.5
311.22247	5.8
323.62985	3.8
406.24310	3.8
431.21741	5.3
447.21506	11.2
463.20874	7.0
473.72342	3.7
507.27075	7.6
516.57507	3.7
713.33740	4.3
743.31232	6.6
743.45190	50.7
744.45428	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	745.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55660	0.8
55.71585	0.8
57.46159	0.8
58.00581	1.5
59.01379	65.9
65.03983	1.5
67.01881	2.6
68.99806	2.2
69.03455	100.0
69.49194	5.1
70.03791	2.3
71.01382	23.9
72.99319	1.1
73.02947	1.1
83.01376	1.2
83.43610	1.1
85.02961	5.9
85.27474	0.8
87.00889	2.6
88.89191	0.9
89.02450	21.0
93.03452	2.1
93.07086	2.1
95.01360	4.4
95.05029	22.7
97.02937	4.0
101.02438	12.4
103.05451	0.9
106.04261	6.9
107.04515	0.9
111.00892	4.8
113.01709	1.7
113.02451	21.6
118.03022	0.9
119.03510	9.7
119.04981	1.5
121.02959	20.0
121.06595	49.9
122.06918	2.2
123.00911	1.8
123.04520	10.7
137.02448	1.9
139.00381	14.8
139.03981	2.2
139.07639	4.3
141.56401	1.0
143.03543	1.0
147.04539	1.5
149.02425	3.5
149.06065	3.7
161.04611	2.2
163.03998	1.2
165.01938	2.7
165.05579	17.8
179.05603	3.6
183.03011	3.0
183.06566	6.2
189.05470	1.3
191.03568	1.2
191.05547	1.3
193.05034	3.1
207.06667	1.1
209.04561	15.7
235.06087	4.4
241.15808	1.1
345.11911	30.6
346.12274	1.8
355.10379	3.3
371.09634	3.1
373.11377	4.6
379.05890	0.9
382.95163	0.9
387.13126	1.2
389.10873	22.9
390.11191	1.8
405.51300	1.0
415.12485	2.8
558.72394	1.1
701.22900	15.0
702.23346	3.3
745.21967	69.0
746.22284	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	743.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78758	0.8
59.01378	100.0
59.71410	0.8
60.01687	1.0
61.98833	0.9
65.43211	0.8
69.03454	1.1
69.67143	0.8
71.01383	12.1
71.54177	1.6
72.99304	1.3
73.02946	4.7
79.01887	1.4
83.01382	1.7
85.02945	7.7
87.00897	1.1
89.02444	3.7
95.01379	1.9
99.00893	2.3
101.02441	8.3
111.04539	2.5
113.02444	5.4
119.03504	1.0
123.00896	1.0
125.02447	1.1
135.04509	2.1
136.14819	0.8
155.03479	7.4
161.04530	6.6
173.04562	1.6
191.05600	20.9
192.05957	2.9
193.06169	1.5
225.07642	1.7
269.10291	14.3
311.11179	5.6
327.86713	0.9
353.08780	3.0
354.09393	1.3
355.09558	1.5
387.12796	1.8
409.88147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03444	0.6
58.00584	1.2
59.01377	29.3
60.84432	0.4
61.98839	2.0
63.18377	0.4
65.03955	0.6
67.01888	2.6
68.99815	7.1
69.03071	1.0
69.03452	20.8
69.52528	3.0
71.01379	24.3
72.99307	1.3
73.02939	1.0
74.03152	0.4
75.00850	0.8
78.95898	0.5
79.01890	10.6
81.03459	4.1
83.01382	0.9
83.05006	2.3
85.02949	5.1
87.00885	2.7
88.00587	0.4
89.02443	24.4
93.03468	2.9
95.01385	6.2
95.05037	1.9
96.96026	0.8
97.02948	10.0
98.19891	0.6
99.00896	0.9
101.02436	11.8
103.05582	0.6
106.04269	0.4
108.02201	0.5
109.02981	0.7
111.04516	35.3
112.04845	1.0
113.02453	10.3
119.03492	9.3
119.05022	1.1
121.02952	7.9
121.06593	1.5
123.00883	19.9
123.04523	10.5
124.01205	0.4
125.02428	1.3
131.03510	1.4
131.05023	1.2
134.03711	0.7
135.04486	1.3
135.08142	0.5
135.83871	0.4
137.02446	0.9
137.06044	0.5
141.01939	0.9
143.03503	3.0
147.04503	1.6
149.01280	0.8
149.02438	10.7
149.04410	0.8
149.04675	0.9
149.06071	7.2
151.04039	0.4
155.03494	100.0
156.03841	3.7
161.02452	0.8
161.04568	5.6
161.05922	0.8
163.03963	1.1
163.07605	0.9
165.01912	1.0
165.05591	2.8
166.99875	1.1
167.03441	0.5
169.01413	0.4
175.03947	0.8
177.72404	0.4
179.05603	31.4
180.05988	0.8
181.08739	0.7
183.03062	0.8
189.05569	1.0
191.03732	0.8
191.05598	4.8
193.05043	17.0
193.06825	0.8
194.05450	0.9
195.06541	0.5
197.08171	0.7
207.06653	1.5
217.05118	0.6
221.08301	0.8
225.07675	37.2
226.07970	2.5
235.06085	2.1
265.07132	0.6
267.08694	0.6
285.06198	1.1
304.51202	0.4
355.10287	10.9
356.10760	1.2
373.11465	1.9
387.12930	33.8
388.13354	3.0
395.78748	0.4
415.12079	1.0
457.13589	1.7
511.14594	43.9
511.21738	4.1
512.14960	5.7
581.18463	5.4
581.26154	0.8
582.19489	1.0
743.23230	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	743.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
66.29158	0.4
69.03448	7.0
69.32447	4.0
69.32833	1.1
71.01376	2.7
85.02949	5.8
87.00877	1.5
89.02426	2.1
93.03452	2.2
95.05013	1.9
101.02427	1.1
106.04321	0.7
109.02930	0.7
111.04515	1.1
113.02439	1.2
119.03500	1.2
121.06601	3.1
122.86562	0.5
127.03990	2.0
133.02946	1.1
135.04512	1.8
139.00377	0.5
161.02437	1.7
165.05556	1.1
173.04515	2.7
175.02492	1.2
179.03467	2.2
184.94698	0.4
189.92990	0.4
191.05602	100.0
192.05978	4.2
209.04623	0.8
345.11920	1.8
346.35184	0.5
353.08752	15.9
353.13107	0.8
354.09320	1.9
389.10840	16.2
390.11163	1.4
450.19714	0.6
637.92828	0.5
719.59460	0.6
765.12775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81718	0.3
59.01380	4.1
60.77438	0.3
67.01865	0.6
69.03457	4.5
69.20979	3.1
71.01374	1.8
72.99306	0.4
85.02948	5.9
87.00880	1.5
88.40839	0.3
89.02432	0.9
93.03458	3.4
95.05021	1.0
96.96008	0.8
98.20715	0.7
99.04501	0.5
101.02431	0.7
109.02987	0.4
111.04539	1.0
113.02451	0.6
121.02963	0.5
121.06600	1.7
125.70870	0.3
127.04032	1.9
129.19569	0.3
133.02966	0.9
133.67955	0.4
135.04524	4.0
137.02454	0.4
155.03465	0.4
161.02443	2.9
162.64078	0.3
165.05536	0.5
168.65686	0.3
171.02991	0.5
173.04546	2.4
179.03510	3.5
183.06676	0.4
191.05608	100.0
192.05984	4.0
192.10028	0.3
209.04539	0.5
265.91977	0.3
315.26593	0.4
345.11993	1.2
353.08768	17.9
354.09119	1.6
389.05948	0.5
389.10873	8.8
390.11221	0.5
395.95065	0.3
484.25195	0.3
652.73749	0.4
743.20203	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	741.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52941	2.1
61.98816	7.4
69.78809	11.8
70.83504	2.0
78.95901	32.7
96.96956	3.5
103.54730	2.3
152.99580	43.8
171.00600	3.6
177.37117	2.4
227.03232	3.7
253.21706	33.7
277.21698	81.3
278.22018	6.1
279.23077	2.8
300.68979	2.5
337.52847	2.3
413.20798	4.6
483.27167	4.6
505.25735	100.0
506.26245	11.3
680.99994	2.4
741.47430	23.4
742.48157	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	743.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73874	0.7
59.01377	3.6
60.65614	0.6
63.86911	0.6
67.01879	1.1
69.03455	3.8
69.39322	1.3
69.39725	4.7
71.01379	1.9
71.43068	0.7
73.49115	0.6
85.02937	6.5
87.00871	2.1
89.02466	0.9
93.03426	5.5
95.05048	0.9
98.19847	1.1
109.02888	1.0
111.04498	2.2
121.02950	0.8
121.06592	1.2
127.04000	2.5
133.02962	3.3
135.04518	15.6
136.04774	0.7
161.02435	2.0
163.03979	0.7
173.04575	4.5
175.02557	0.8
177.01917	1.3
177.61540	0.7
179.03497	7.0
180.13676	0.6
191.05603	100.0
192.05948	4.6
203.01012	0.8
248.60893	0.8
337.09387	2.0
345.12024	0.9
351.07208	2.1
353.08737	23.4
354.09094	2.7
389.06274	5.4
389.10944	6.4
390.11261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
59.46864	0.7
61.98831	8.3
71.01388	4.1
71.53143	1.1
78.95909	3.1
80.02651	0.9
81.03455	1.7
81.68186	0.6
82.96687	0.7
83.05032	4.7
89.02426	2.1
101.02449	2.7
113.02428	0.9
125.09698	0.9
135.08186	1.2
145.47333	0.7
152.99599	1.9
161.04546	1.4
163.11275	2.9
165.12868	2.4
169.12315	2.3
171.10226	1.1
181.12445	0.9
185.11823	1.0
191.05589	3.0
195.13908	6.4
195.17880	0.7
197.11818	1.9
199.13541	0.6
201.95184	0.7
209.11823	100.0
210.12172	7.6
211.13377	2.1
212.13708	1.1
227.03589	1.0
227.12909	9.7
228.13368	1.2
235.08206	2.2
243.02963	1.0
253.09279	10.6
253.21715	1.5
254.09509	1.1
271.02472	6.2
272.02814	5.5
273.03024	2.3
277.21765	10.4
278.22086	0.8
291.19626	0.9
293.21136	2.5
294.21521	2.4
295.22781	52.3
296.23132	5.9
299.01996	16.8
300.02332	13.1
301.02563	8.2
302.03091	1.5
309.20792	1.7
318.40610	0.7
445.21130	1.6
446.08206	2.1
447.08826	3.7
448.09027	4.1
487.96124	0.6
505.25607	2.6
594.24133	0.9
595.24988	2.4
624.76776	0.8
741.30896	7.8
741.44226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39140	0.7
59.01381	6.2
61.98830	9.4
64.33533	0.8
71.01377	4.7
73.02944	1.0
76.47933	0.7
78.95911	3.9
81.03458	1.2
81.83528	0.7
82.51185	0.8
83.05018	2.7
84.02221	0.7
85.02953	1.8
87.00893	1.3
89.02417	2.6
97.02983	0.8
101.02428	4.5
113.02480	1.8
125.09739	1.5
127.11252	1.8
133.05118	0.8
137.09787	0.8
145.05016	0.7
152.99603	1.8
161.04573	1.9
163.11292	2.2
165.12831	1.9
171.10295	3.9
172.10638	0.7
181.12299	1.2
191.05557	2.2
191.10760	0.9
201.11314	38.2
202.11633	1.2
209.11818	76.8
210.12120	5.8
211.13249	0.9
225.11311	1.7
227.12875	9.5
235.08188	7.9
253.09251	14.5
253.21756	1.2
254.09488	0.9
277.21704	100.0
278.22034	13.0
279.22827	0.9
398.11353	1.1
419.19165	0.9
437.20276	1.3
505.25928	3.5
513.30695	1.0
741.45062	1.0
742.45935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95816	1.7
59.01392	3.1
61.98822	3.3
191.05643	5.0
192.08540	2.0
209.11821	100.0
210.12149	6.0
215.19608	1.9
227.12868	23.3
235.08238	3.8
253.09282	5.3
445.20905	10.9
637.32605	2.7
741.34644	18.2
742.35583	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	741.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01380	10.5
60.10961	1.5
61.98830	12.8
64.06828	1.4
67.78219	1.4
71.01378	6.4
73.02935	1.7
78.95896	5.3
85.02919	2.1
87.00852	2.0
88.98799	2.5
89.02440	3.6
92.32910	1.5
94.01738	1.3
97.02956	1.4
97.06570	5.5
98.95601	1.5
101.02430	6.5
111.08148	5.7
113.02456	2.8
116.92806	1.5
117.21175	1.6
125.09705	1.4
151.00375	1.9
151.11281	11.2
152.99590	4.2
161.04521	2.2
169.12338	86.7
170.12643	5.0
174.50388	1.4
185.11835	2.8
191.05649	7.5
195.10240	3.2
197.11826	21.8
199.13271	1.6
209.11827	9.3
211.13490	2.5
213.11340	10.1
224.58307	1.6
227.12852	3.8
239.75946	1.9
253.09303	4.4
271.02383	2.1
277.21695	5.4
291.19589	4.7
293.21216	1.9
295.22516	5.2
299.01987	2.9
300.02588	4.1
309.20706	10.4
418.19885	1.6
431.19263	3.0
449.20218	7.6
505.25577	5.9
595.25317	3.4
685.09863	1.8
741.40741	100.0
742.41058	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
57.21202	1.1
59.01157	1.0
59.01382	12.3
61.98819	5.1
70.53179	2.7
70.53509	1.5
71.01375	5.2
77.56610	1.3
78.71845	1.1
78.95893	3.5
85.02941	2.9
88.98808	2.7
89.02442	5.3
93.03467	1.3
95.04991	1.3
97.06599	6.0
101.02444	6.3
109.06596	1.8
111.08150	4.7
113.02438	3.7
117.32573	1.1
125.09712	1.3
151.11276	16.6
152.99544	2.3
165.45224	1.1
169.12332	84.3
170.12645	4.5
179.10898	1.4
185.11824	2.3
191.05585	4.9
195.10289	2.0
197.11818	23.6
198.12230	2.3
199.13390	1.6
209.11800	7.9
211.13374	3.6
213.11327	10.8
226.28265	1.1
227.12936	1.6
235.08279	2.1
253.09241	4.3
253.21698	2.0
255.86377	1.2
263.20175	1.3
271.02652	1.5
277.21680	3.5
291.19614	5.1
293.21213	1.3
295.22769	1.8
309.20679	8.8
353.54742	1.2
431.19083	3.5
449.20178	6.9
450.20517	2.5
505.25604	4.4
594.24207	2.5
595.24902	4.1
741.40710	100.0
742.28571	2.6
742.40887	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.7
59.01378	23.3
61.98830	8.9
62.04117	0.4
71.01374	3.0
71.05022	9.6
71.54662	0.7
72.99302	0.6
73.02935	1.0
75.00870	0.6
83.05006	0.6
85.02938	2.3
87.00868	0.8
89.02428	1.8
93.03436	1.4
95.01370	1.2
96.95965	0.7
99.01844	0.4
101.00895	0.4
101.02437	2.8
109.02924	0.5
111.04458	0.5
113.02440	2.7
119.03476	1.4
125.02414	0.4
133.03017	0.5
135.04578	0.6
143.03499	0.6
145.02908	1.1
150.03232	0.4
161.02420	0.9
169.01334	0.6
173.04436	0.7
179.05605	0.6
180.32565	0.5
191.05602	10.5
192.06033	0.7
202.95764	0.5
305.22708	0.7
344.24112	0.5
371.25900	0.6
385.27438	3.5
387.07971	0.5
391.30219	0.7
405.26724	1.7
409.30478	0.9
417.27750	1.2
419.29593	1.4
423.29037	1.0
425.30548	1.0
433.27426	0.5
437.30627	4.3
438.30441	0.7
439.32355	0.6
457.33191	100.0
458.33533	18.4
458.40024	1.0
459.30838	2.4
475.34085	0.6
489.32254	3.9
501.31992	4.9
502.32574	0.7
519.33209	47.6
520.33496	8.5
533.34711	1.5
561.34326	4.8
562.34821	0.9
681.38416	0.7
741.39606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76358	0.4
53.61254	0.4
54.02749	0.4
55.51175	0.3
58.94625	0.3
59.01370	1.6
61.41996	0.3
61.98821	0.4
71.01385	0.5
71.52869	0.7
73.02948	0.4
74.72846	0.4
85.02951	6.2
87.00873	1.3
88.39647	0.4
93.03437	2.5
96.96014	0.8
109.02943	0.7
111.04504	0.9
127.03991	1.7
133.02940	1.0
134.03763	0.5
135.04518	5.3
161.02408	2.2
173.04497	1.9
177.01956	0.6
179.03503	3.9
189.03650	0.4
191.05600	100.0
192.05974	4.5
351.07144	0.7
353.08752	13.4
354.09085	1.5
550.89960	0.4
600.56830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76358	0.4
53.61254	0.4
54.02749	0.4
55.51175	0.3
58.94625	0.3
59.01370	1.6
61.41996	0.3
61.98821	0.4
71.01385	0.5
71.52869	0.7
73.02948	0.4
74.72846	0.4
85.02951	6.2
87.00873	1.3
88.39647	0.4
93.03437	2.5
96.96014	0.8
109.02943	0.7
111.04504	0.9
127.03991	1.7
133.02940	1.0
134.03763	0.5
135.04518	5.3
161.02408	2.2
173.04497	1.9
177.01956	0.6
179.03503	3.9
189.03650	0.4
191.05600	100.0
192.05974	4.5
351.07144	0.7
353.08752	13.4
354.09085	1.5
550.89960	0.4
600.56830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67315	0.4
55.86605	0.4
62.90392	0.4
69.58683	2.6
70.54464	0.3
71.01348	0.9
81.03425	0.4
83.16206	0.4
85.02959	1.6
93.03461	1.1
95.01411	0.5
95.51469	0.5
99.97877	0.4
109.02948	1.5
111.04572	0.4
123.00861	1.1
125.02431	1.1
127.46566	0.4
133.02884	0.5
135.04497	1.2
137.02454	6.5
139.04053	0.6
149.02441	0.6
151.00369	10.5
151.03998	1.0
152.04805	1.3
164.04768	0.6
165.01866	0.6
166.02702	43.6
166.47554	0.5
167.03214	2.2
175.04063	0.7
177.01817	2.3
179.03535	1.1
181.05055	59.1
182.05359	1.9
190.06290	0.6
191.03763	0.8
191.05598	16.6
192.04259	0.8
192.05885	0.6
205.05035	1.0
205.08722	1.1
207.06732	0.7
219.06738	0.5
247.85727	0.4
250.43362	0.4
256.94769	0.4
307.98975	0.5
353.08694	2.5
359.11404	1.1
371.15073	0.4
387.10770	8.1
387.15451	0.6
388.10968	1.3
402.13184	7.5
403.13538	0.7
409.71841	0.4
409.77249	0.4
417.15506	100.0
418.15826	15.4
570.37543	0.5
579.20404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29638	0.2
56.18025	0.2
59.01375	0.8
61.98827	100.0
71.01385	0.3
73.70898	0.2
76.50639	0.2
78.95908	0.3
86.74433	0.1
87.00905	0.2
89.02444	0.2
89.71052	0.2
101.02467	0.3
105.01995	0.2
110.45972	0.2
113.02437	0.3
121.97127	0.2
171.10312	0.2
173.85178	0.2
191.05707	0.2
195.13940	0.3
197.11778	0.8
198.12279	0.2
199.13409	0.3
207.10240	0.2
209.11819	3.9
210.12238	0.4
211.13373	2.8
212.13768	1.2
227.12857	0.9
239.12733	0.2
253.09253	0.9
254.09677	0.2
271.02545	0.5
272.02869	0.4
277.21744	0.3
292.19949	0.3
293.21228	0.9
294.21622	0.7
295.22714	2.6
295.25461	0.2
299.01920	1.4
300.02478	1.1
301.03488	0.3
305.64954	0.2
309.20755	0.6
310.20932	0.4
446.08688	0.3
447.08972	0.3
594.23560	0.3
596.24463	0.2
740.30481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
61.98828	100.0
62.98541	0.1
65.93315	0.1
68.62088	0.1
83.05017	0.1
135.04555	0.3
191.05643	1.1
282.77164	0.1
286.37442	0.1
297.05508	0.1
353.08975	0.2
448.12439	0.1
510.55374	0.1
603.55121	0.1
677.49921	0.2
678.50305	0.2
679.50702	0.4
680.50641	0.8
740.49255	1.3
741.50745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99544	0.7
54.20153	0.8
56.38472	0.8
59.01379	19.4
61.98832	6.5
64.34716	0.8
66.45997	0.9
69.03443	1.9
71.01009	1.2
71.01379	13.4
72.99282	1.1
73.02946	3.3
75.00879	0.9
78.24048	0.7
78.95900	1.2
83.01358	1.8
83.05021	1.2
85.02950	4.3
87.00881	4.3
88.98815	1.9
89.02443	10.4
93.03458	1.0
94.99136	0.8
95.01353	1.7
95.05045	1.4
97.02935	2.3
99.00884	1.1
101.02445	11.2
109.06548	1.6
113.02450	7.3
119.03492	2.7
123.08139	0.8
125.02415	3.7
125.09680	1.2
133.05057	1.0
143.03494	1.6
145.05031	1.3
152.99489	1.1
155.57298	0.9
156.53818	0.9
156.58224	1.0
161.04607	4.0
163.11263	3.5
171.10272	63.5
172.10573	3.2
173.58742	0.9
179.05591	1.1
179.10735	0.8
181.12326	1.4
189.09192	1.9
197.11746	1.2
199.13307	1.6
201.11259	3.2
207.10251	7.0
208.10619	1.3
209.11821	3.4
211.13382	1.5
225.11308	28.1
226.11594	2.7
227.12851	1.8
235.08228	10.3
243.12332	2.5
246.43137	0.9
253.09309	10.2
277.21704	100.0
278.22034	9.3
281.24832	29.8
282.25137	2.5
282.51602	0.9
287.07785	1.3
293.21271	3.4
295.51926	1.0
305.08704	1.1
397.13498	32.8
398.13876	2.5
407.18912	1.2
415.14630	11.2
443.19171	2.6
461.20145	2.7
487.19049	1.1
720.21295	1.0
721.41113	2.5
724.41681	1.0
739.41736	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01376	3.8
61.46737	0.4
61.98825	5.5
71.01386	2.4
73.02943	0.9
80.02673	0.9
81.03452	1.2
83.01386	0.5
83.05030	4.8
84.02158	0.7
85.02943	0.7
87.00867	0.6
89.02476	1.8
89.02934	0.3
95.05019	0.5
97.02947	0.4
101.02438	1.9
109.06602	0.4
111.08152	0.4
113.02431	1.4
119.03510	0.5
121.10200	0.3
125.06086	0.4
135.08180	0.6
146.90672	0.3
148.98520	0.3
161.04529	1.3
163.11296	3.2
165.12823	1.9
171.10260	1.0
179.05608	0.6
181.12358	0.4
191.05634	0.4
191.10773	0.5
195.13896	5.1
196.14368	0.6
197.11824	0.7
205.12363	0.4
207.10266	0.7
209.11812	100.0
210.12141	6.9
211.13440	2.8
223.13353	3.6
224.13860	0.6
227.12872	10.8
228.13364	0.8
229.14566	0.4
235.08211	2.8
253.09268	14.4
254.09711	0.6
256.13184	0.5
271.02417	0.8
275.20093	4.6
276.20422	0.6
291.19650	0.5
292.19971	0.6
293.21210	63.8
294.21515	6.1
299.01898	1.1
300.02826	0.9
301.03537	1.0
309.20740	0.6
445.20551	0.7
447.09366	1.0
500.87637	0.4
598.78778	0.4
739.30176	0.8
739.41956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84074	1.5
57.03436	1.8
59.01374	12.3
61.98822	7.6
71.01384	83.6
73.02946	4.7
78.95903	29.2
79.93510	1.2
80.96513	2.3
83.01360	1.7
83.05017	2.1
85.02951	4.8
87.00863	4.8
89.02450	4.0
89.10839	1.2
95.05045	3.3
96.96965	2.2
97.02967	5.3
99.00878	2.3
101.02430	5.5
109.06577	12.2
111.00866	1.9
111.08231	1.7
113.02443	5.1
121.06550	1.9
125.02413	2.1
125.09704	5.1
127.11311	2.7
127.50816	1.3
130.59230	1.2
135.08138	2.0
143.03427	1.8
152.99596	16.8
153.09244	1.4
161.04550	3.4
163.11275	9.1
169.12321	2.4
171.10260	52.3
172.10609	3.7
179.05582	2.0
181.12309	6.0
185.11823	5.7
189.09143	2.6
191.05663	2.4
195.13875	2.3
197.11852	8.3
199.13298	3.5
201.11310	43.0
207.10245	37.2
208.10600	1.8
209.11821	5.6
214.21112	1.5
215.13020	2.7
225.11314	54.2
226.11737	1.8
235.08206	3.9
243.12300	5.9
253.09282	18.4
277.21704	100.0
278.22031	9.2
279.23007	1.4
293.21378	7.5
294.21313	1.5
309.20703	2.4
314.28134	1.4
429.20477	6.4
434.51617	1.6
443.19522	1.8
445.14432	1.5
445.19913	7.8
445.25665	1.8
461.20209	14.0
462.21146	1.6
479.21271	1.9
703.66010	1.5
721.41644	5.4
739.42084	28.4
740.42267	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	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01376	4.7
61.98826	26.7
70.67498	0.9
70.67834	0.9
71.01381	2.7
73.02928	0.8
80.02670	0.8
81.03468	0.7
83.01380	0.6
83.05030	3.8
84.02135	0.4
85.02936	1.0
89.02438	2.3
95.05042	0.6
95.74634	0.4
101.02469	2.9
111.08124	0.5
113.02441	1.8
119.03431	0.5
125.06138	0.6
125.07059	0.4
147.11829	0.5
161.04538	1.2
163.11288	3.0
165.12851	2.1
176.55919	0.4
179.05603	0.8
190.80496	0.4
191.10767	1.2
195.13887	6.6
196.14676	0.6
197.11903	0.5
205.12465	0.4
209.11810	100.0
210.12135	7.1
211.13387	1.5
223.13362	4.1
227.12877	11.5
228.13350	0.8
235.08264	2.2
253.09273	15.4
254.09566	0.9
255.02957	0.7
256.13074	0.9
271.02417	1.8
275.20114	5.3
276.20465	0.7
293.21210	75.0
294.21515	7.9
299.01871	2.2
300.02679	2.0
301.03601	2.3
390.11273	0.5
446.08511	0.8
447.09262	3.1
593.24615	0.6
739.29669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
58.00615	0.9
58.02650	0.8
59.01377	7.2
59.99858	0.7
61.98834	4.9
69.03461	0.8
71.01382	55.0
71.09457	0.7
71.09757	1.0
73.02946	2.8
78.95905	19.7
83.01387	0.8
83.05032	1.1
85.02948	3.4
87.00867	1.6
87.46115	0.8
89.02437	2.9
95.01302	0.8
95.05013	1.1
97.02950	2.4
99.00867	2.0
99.75709	0.7
101.02441	4.5
109.06569	5.2
110.78179	0.7
111.00909	0.7
113.02457	2.5
124.01645	0.7
125.09695	2.2
127.11275	1.6
135.27637	0.8
139.07709	0.8
143.03467	1.0
145.05078	1.3
151.11287	0.9
152.99579	8.1
161.04626	1.4
161.09685	1.2
161.18755	0.7
163.11275	5.4
165.09189	0.8
171.10269	18.3
172.10541	1.4
174.39047	0.8
181.12311	3.6
185.11833	2.2
189.09207	2.0
195.13966	0.9
197.11824	4.9
199.09650	1.0
199.13388	1.3
201.11328	17.9
207.10249	21.7
208.10612	1.2
209.11716	1.0
215.12842	1.8
225.11325	22.7
226.11552	1.7
235.08231	5.3
243.12376	3.0
253.09319	9.4
260.07584	0.7
275.20004	0.8
277.09335	1.6
277.21713	100.0
278.22101	9.4
279.22916	0.8
291.83560	0.8
293.21280	5.0
295.10226	1.4
309.20782	1.3
339.90475	0.7
429.20465	3.5
443.19080	1.5
443.31918	0.9
445.19785	5.0
461.20441	3.9
463.21088	0.9
555.32257	1.1
721.41888	4.3
722.41626	1.3
739.42114	17.0
740.42340	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	739.391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
60.99301	17.8
61.98535	0.6
61.98826	6.8
64.87325	0.3
69.75295	0.8
69.75684	1.0
71.01374	0.8
78.95909	0.5
80.96500	1.6
85.02948	0.4
87.00857	1.0
88.00385	1.2
88.98798	100.0
89.02435	8.6
89.99136	1.2
98.20632	0.4
101.02467	0.4
101.50951	0.4
125.02435	0.6
137.02518	0.4
164.98582	0.4
165.06149	0.3
173.04462	0.5
191.05624	2.6
209.11815	1.2
269.55194	0.4
289.00638	0.3
619.15808	0.3
627.97693	0.4
739.31750	2.5
740.32343	0.8
741.13116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
55.71907	0.3
57.03431	0.4
58.01950	0.3
59.01378	2.8
61.98826	0.9
69.38503	2.6
71.01371	2.1
73.02965	0.4
74.76822	0.4
80.02636	0.6
81.03444	1.1
83.05021	4.3
83.80054	0.3
84.02153	0.6
85.02948	0.6
86.10305	0.3
87.00878	0.6
89.02442	1.6
95.04990	0.5
101.02435	2.0
102.15747	0.4
113.02449	0.8
119.03507	0.5
135.08150	0.6
161.04568	0.9
163.11287	2.9
165.12852	2.3
171.10291	0.6
181.12361	0.7
191.10724	0.9
195.13846	2.8
196.14490	0.5
205.12370	0.5
209.11812	100.0
210.10316	0.6
210.12146	7.2
211.13402	1.1
223.13377	1.8
227.12859	11.4
228.13239	0.9
235.08194	2.7
253.09270	11.0
254.09396	0.5
256.13004	0.5
271.02551	0.5
275.20105	3.8
276.20770	0.5
293.21222	39.5
294.21552	4.2
299.01996	1.0
300.02621	0.7
445.20728	1.6
446.08313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92574	1.0
59.01381	1.4
61.67189	1.0
61.98828	100.0
62.98530	1.1
63.99255	1.7
68.99583	1.1
71.01385	2.7
71.54090	1.9
78.95895	2.4
78.98582	1.4
79.95749	2.6
80.96511	11.4
83.01388	1.4
85.02942	2.0
87.00904	1.4
88.98817	6.2
89.02470	1.6
93.03465	4.2
94.98110	2.4
107.01429	1.5
109.06574	2.4
111.04505	1.2
117.03467	3.2
119.05015	1.8
125.02501	1.3
133.02936	2.0
135.04521	2.6
136.04863	1.1
140.43701	1.0
143.64690	1.1
145.02950	11.8
163.03995	3.2
164.01823	1.1
164.98630	1.4
173.04575	1.4
177.01926	5.2
181.12331	1.3
191.05617	11.8
192.05980	1.2
193.89754	1.3
207.10291	7.0
209.11809	14.5
210.12012	1.1
225.00734	2.8
225.11339	5.0
227.03505	1.3
227.12924	3.5
229.05055	1.6
253.09259	2.3
255.02937	2.7
284.03214	2.8
285.03998	21.1
286.04175	1.6
313.12170	1.2
453.11804	2.8
461.20953	1.5
527.16412	1.3
635.30450	3.7
653.31366	5.3
671.32843	5.3
721.31781	1.3
739.32336	24.7
740.32660	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	739.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.1
61.98828	69.2
63.99279	1.1
65.00316	2.1
69.98455	0.7
71.01376	4.6
73.02940	1.2
78.95908	3.9
80.02695	1.1
81.03456	1.5
83.01400	1.2
83.05023	5.1
85.02934	1.2
87.00875	1.0
89.02435	2.4
93.03450	1.5
95.05017	1.2
96.96003	3.4
96.96953	2.2
97.02897	0.7
101.02437	3.7
107.01389	1.3
109.06596	1.2
110.56229	0.7
113.02436	1.7
118.70226	0.7
121.02985	3.6
125.02454	0.8
130.34767	0.8
141.71161	0.8
151.00366	7.6
152.99664	1.2
159.04506	0.8
161.02477	1.0
161.04486	1.1
163.11328	4.2
165.12839	1.8
169.12343	1.7
171.04520	1.2
171.10246	1.4
178.99832	3.3
183.04602	0.8
183.13850	2.0
191.05640	2.9
191.10805	1.1
195.13896	2.1
197.11836	1.9
199.04015	2.7
199.13333	1.7
201.02003	1.0
207.10291	2.2
209.11818	100.0
210.12245	4.4
211.13412	9.7
215.03419	1.5
223.13341	2.5
225.11351	3.7
226.11627	2.2
227.03513	3.3
227.12898	20.2
228.13251	1.1
229.12489	1.0
231.21100	1.2
235.08205	3.8
235.17000	10.7
243.02924	6.3
253.09288	15.4
255.02953	6.8
256.03543	1.1
262.21710	0.8
270.01614	1.0
271.02460	21.3
272.02878	1.8
273.11240	1.2
275.20135	19.8
276.20471	1.0
291.19690	2.4
293.21213	56.4
294.21527	4.8
295.22369	0.8
298.01196	1.1
299.01953	45.6
300.02682	25.2
301.03476	10.8
302.03751	0.9
309.20639	1.8
317.10214	1.9
425.19611	1.1
443.20660	3.7
445.07721	5.0
445.20636	1.1
446.02264	1.4
446.08444	22.0
447.09152	11.1
448.09543	1.9
463.21536	1.2
467.13498	1.6
575.23071	1.3
592.23297	1.0
593.23987	19.1
594.24121	4.6
739.29486	22.3
739.40851	1.7
740.29663	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	739.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65950	1.3
56.39732	1.5
59.01368	2.8
61.98829	72.3
65.00311	2.6
70.10339	1.4
70.38860	5.1
71.01392	2.6
78.91874	1.3
78.95924	3.1
80.91674	17.2
80.96480	1.5
93.03439	5.1
95.01349	1.4
96.95975	4.3
99.44595	1.3
101.02398	1.7
107.01313	2.5
109.02936	5.1
111.80035	1.7
112.63663	1.5
112.95682	1.4
121.02969	10.5
122.68357	1.5
125.02428	1.4
131.95358	1.6
135.04562	3.4
136.01627	4.5
137.02438	3.5
139.03940	2.5
147.00867	1.7
149.02415	4.8
151.00333	5.5
152.01094	4.4
152.99536	2.0
161.02371	2.5
163.00349	8.5
163.07571	2.6
163.90952	1.5
164.01102	4.0
165.01927	1.5
173.04659	1.7
174.03259	1.5
175.00380	3.9
176.01073	1.8
177.01752	2.0
178.53279	1.4
178.99846	5.8
187.07613	3.2
189.98993	3.0
190.99782	3.4
191.05600	8.6
202.99687	1.8
203.03482	2.7
209.11783	3.6
223.13351	3.1
225.11154	2.0
227.12556	1.6
231.06601	9.4
241.05042	2.5
255.02682	2.5
256.03766	2.3
257.04337	1.6
259.06076	1.9
268.03607	1.7
269.04282	2.1
271.02438	4.4
283.02554	2.5
285.03888	4.0
295.02649	1.8
299.01929	3.4
300.02631	4.7
301.03363	3.5
311.01773	2.3
312.02722	9.1
313.03571	27.6
314.04172	4.8
325.03564	3.3
329.13757	3.6
330.14520	2.9
340.02264	3.2
355.11768	2.3
373.12866	12.2
374.13718	4.1
381.05566	1.9
381.09824	11.0
382.10425	4.5
401.12015	1.9
443.20554	4.2
523.15930	9.7
524.16492	7.2
570.65277	1.6
575.22406	2.1
592.22729	4.9
593.14313	2.9
593.23877	54.5
594.23755	6.5
605.07080	1.6
635.24335	2.0
739.29639	100.0
740.29932	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	739.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03445	0.8
59.01376	9.9
60.99282	1.6
61.98836	3.9
63.02381	1.1
65.00310	1.4
66.83956	0.6
68.02523	0.6
71.01377	4.1
73.02895	0.8
78.95872	1.3
79.85786	0.6
80.02679	0.8
81.03442	1.0
83.01379	2.3
83.05020	3.3
85.02945	1.6
87.00852	1.3
88.98793	7.0
89.02433	2.8
91.00812	0.7
97.02924	1.5
101.02467	3.9
102.02680	0.7
104.02474	0.6
107.01379	2.8
109.02924	0.9
109.06606	3.9
110.06937	1.4
111.08125	3.4
113.02436	2.1
121.02935	1.0
123.04555	0.8
131.03490	0.8
133.02924	0.9
135.08203	1.0
140.27339	0.8
143.03528	0.9
143.04942	0.8
151.00365	7.6
153.35382	0.7
155.03435	0.8
161.02440	0.8
161.04604	1.7
163.11296	4.5
164.01117	0.8
164.11642	1.3
165.12845	1.6
169.12311	1.8
171.04475	1.3
171.10207	1.2
175.03992	1.1
177.85883	0.7
178.99869	1.5
179.10835	1.0
181.12331	1.1
183.13829	1.3
187.03917	1.0
191.05585	2.2
193.46628	0.7
195.13919	5.9
196.14320	1.5
196.69083	0.7
197.11787	4.9
199.03958	5.3
199.13374	2.3
201.01793	1.1
207.10277	11.0
208.10597	5.4
209.11819	56.0
210.12169	9.8
211.03934	0.9
211.13440	18.2
215.03468	2.4
223.13284	3.9
225.11359	5.0
226.02669	1.6
226.11653	2.7
227.03566	3.6
227.12918	9.8
228.13089	1.0
235.08221	3.3
243.02936	5.3
253.09268	15.1
254.09621	2.2
255.02939	2.5
256.03439	0.8
271.02451	55.7
272.02890	4.2
275.20087	4.6
279.23242	0.9
283.02533	2.0
291.19669	17.0
292.20013	13.4
293.21207	47.8
294.21515	12.1
295.21948	3.2
299.01941	100.0
300.02652	43.3
301.03418	16.1
302.03979	1.1
309.20749	7.6
357.71271	0.8
443.20413	2.1
445.20554	0.8
446.08502	10.8
447.09158	8.8
462.20624	0.8
463.21527	1.4
471.20190	0.8
529.28760	0.8
575.22516	1.6
592.23248	2.9
593.23883	27.8
594.24426	4.1
657.65466	0.8
663.88934	1.0
692.69568	0.8
721.28735	0.9
738.41315	4.4
739.29681	37.4
739.41779	7.3
739.78046	1.0
740.30151	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	739.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
57.80339	0.3
59.01373	3.8
61.98813	1.1
65.00319	0.8
68.33110	0.3
69.24968	2.2
69.25392	0.8
69.62621	0.3
71.01356	1.5
78.95901	0.8
83.01370	0.7
83.04990	0.6
85.02944	0.5
89.02451	1.0
93.03448	0.5
95.05051	0.5
97.02940	0.5
101.02427	1.3
107.01381	0.9
109.02938	0.7
109.06575	0.7
111.08141	0.9
121.03005	0.5
133.02992	0.7
147.00868	0.4
151.00360	1.7
161.04602	0.6
163.11253	1.2
169.12292	0.4
171.04482	1.3
173.74126	0.3
175.03973	1.0
181.12337	0.4
183.04416	0.5
183.13918	0.6
187.03903	0.7
191.05589	1.0
195.13893	1.1
197.11850	1.9
199.03992	4.6
199.13422	2.1
201.01921	1.4
203.03490	0.4
205.79453	0.3
207.10242	1.7
208.10593	0.8
209.11810	13.3
210.12103	1.5
211.03944	0.4
211.13385	10.0
215.03474	1.8
219.14952	0.3
223.13362	0.9
225.11319	1.8
226.02643	0.5
226.11668	1.0
227.03503	2.5
227.12875	5.6
235.08276	1.0
242.02206	0.6
243.02960	2.9
253.09247	3.8
254.09683	0.4
255.02937	0.7
271.02454	45.5
272.02878	2.5
275.20105	0.9
279.23257	0.6
283.02347	0.5
291.19614	3.2
292.20007	1.5
293.21216	11.8
294.21530	2.1
295.22290	0.7
299.01938	100.0
300.02524	14.1
301.03098	0.4
309.20657	3.3
317.10248	1.0
355.47900	0.3
443.20441	0.7
445.20889	0.4
446.08517	26.6
447.08844	3.0
447.22382	0.5
462.20743	0.4
463.21652	1.3
467.13202	0.4
512.90985	0.3
558.92804	0.4
592.23236	1.0
593.23828	8.0
593.32910	0.5
594.23914	1.8
738.41632	0.9
739.29797	12.9
739.42004	1.6
740.29907	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	739.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.7
61.98828	51.0
63.99232	3.8
65.00310	5.4
69.45052	8.8
71.01360	2.6
78.95903	35.1
83.05013	1.8
93.03462	6.9
96.95988	2.1
96.96972	2.6
99.08119	1.4
100.83617	1.1
101.02487	1.7
109.02936	4.3
111.00832	1.4
117.03391	1.8
121.02962	18.0
131.02962	1.4
135.04488	2.0
137.02431	2.6
139.03961	3.6
144.98883	1.1
147.00783	1.5
149.02426	6.4
149.99483	1.9
151.00313	1.9
152.98581	1.2
152.99600	15.9
159.04448	2.0
161.02495	1.8
163.00285	2.7
163.03909	1.1
163.11247	1.2
164.01099	1.8
165.12726	1.7
171.10194	3.6
173.04512	2.3
175.00296	4.2
176.01062	2.0
177.01848	3.9
187.03906	1.4
189.01944	1.5
191.05638	7.4
192.05888	1.8
193.12254	1.6
197.11719	4.1
199.03915	1.6
202.99854	10.1
203.01407	1.7
203.03415	6.6
209.11800	18.9
211.13371	1.9
215.03459	2.9
216.00557	1.4
216.04138	2.0
223.13283	1.6
225.14967	2.7
227.12881	1.8
230.01991	1.9
231.02855	1.9
243.02907	1.7
245.04645	1.5
245.11787	3.5
253.09193	1.7
255.02682	1.9
256.03851	2.7
271.02386	7.9
285.07620	5.5
287.12802	3.1
299.01962	6.2
300.02692	16.4
301.03180	2.4
313.03555	5.4
313.10629	3.0
314.04077	1.9
316.13000	4.0
325.03384	2.9
331.11838	16.3
343.24792	5.5
353.02814	4.6
353.06738	2.8
359.11172	5.2
363.12192	2.5
395.14740	2.6
399.21567	5.0
423.10892	1.3
425.19513	4.8
435.10388	2.0
443.20776	13.9
444.20920	1.8
463.13910	2.9
471.20016	1.9
479.23785	4.9
481.14978	11.3
482.15503	3.4
497.25470	2.1
592.22986	9.2
593.23877	65.9
594.24323	10.9
664.32281	1.4
672.23071	1.6
707.37720	13.8
708.38287	1.8
739.29492	100.0
739.40210	7.9
740.29901	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	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28267	0.2
59.01381	0.6
61.98829	100.0
69.45196	0.1
71.01398	0.5
71.07144	0.3
80.02682	0.2
81.03454	0.2
83.05026	0.6
85.02934	0.2
87.00916	0.2
89.02448	0.5
90.33084	0.2
101.02447	0.5
109.06601	0.2
111.08175	0.2
113.02465	0.3
115.94935	0.2
125.06113	0.2
125.17843	0.2
151.00346	0.2
161.04514	0.2
163.11339	0.6
165.12868	0.4
191.05733	0.2
195.13931	0.6
207.10374	0.3
209.11812	16.5
210.12209	0.3
211.13431	0.4
223.13437	0.6
226.11574	0.2
226.36841	0.2
227.12865	2.1
235.08344	0.5
253.09311	2.1
271.02679	0.5
275.20071	0.9
278.21967	0.2
292.20178	0.3
293.21228	10.1
294.21707	0.2
299.01929	0.8
300.02902	0.8
301.03601	0.3
398.13818	0.2
399.14218	0.2
447.09323	0.5
465.33972	0.2
739.30383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.1
61.70004	0.1
61.98829	100.0
62.98531	0.3
63.99262	0.1
71.01392	0.3
78.95915	0.3
79.95741	0.3
80.96516	0.4
87.00936	0.2
88.98824	0.2
92.61997	0.1
93.03450	0.3
94.98109	0.1
96.96043	0.3
97.78345	0.1
106.91154	0.1
135.04550	0.2
136.83299	0.1
145.02928	0.2
152.99638	0.2
170.10649	0.2
171.10318	0.2
191.05618	0.9
207.10179	0.2
209.11838	0.6
211.13347	0.1
225.00729	0.2
225.11447	0.2
229.78308	0.2
244.49490	0.1
255.03003	0.2
273.17227	0.1
274.17511	0.1
285.04041	0.3
287.10864	0.1
446.41330	0.1
582.43561	0.1
738.31091	0.4
739.17560	0.3
739.32294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70392	0.1
59.01359	0.2
61.98828	100.0
62.98549	0.2
63.99263	0.2
71.01382	0.2
73.88690	0.1
78.95917	0.4
79.95744	0.2
80.96521	0.6
87.00845	0.2
93.03472	0.3
101.02458	0.1
101.42739	0.1
109.06566	0.2
124.89235	0.1
125.35195	0.1
135.04597	0.2
145.03017	0.2
171.10179	0.2
189.04036	0.2
191.04111	0.2
191.05640	1.2
207.10312	0.4
209.11816	0.8
225.00873	0.3
225.11363	0.3
227.13026	0.4
231.26802	0.1
255.03120	0.2
284.03259	0.2
285.04169	0.5
288.46085	0.1
378.77713	0.1
635.30719	0.3
653.32001	0.2
671.33490	0.5
738.31171	0.3
739.17188	0.4
739.32733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
60.99300	1.1
67.01891	2.3
68.90121	0.2
69.03451	0.9
69.30066	0.3
71.01367	1.1
71.52709	0.5
81.03466	0.8
83.05010	0.5
85.02945	4.4
87.00870	4.3
87.01379	0.4
93.03457	19.4
94.03774	0.6
95.15554	0.3
99.00880	0.5
99.04524	0.3
109.02940	0.5
111.04514	2.8
119.05022	5.0
123.71193	0.2
127.03989	1.0
129.01930	0.6
135.04498	0.3
145.02954	1.3
155.03513	0.5
163.04012	5.5
173.04527	5.3
191.05600	100.0
192.05954	3.9
244.03340	0.3
337.09253	25.8
338.09561	2.4
353.08661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01707	1.2
59.01384	9.4
61.98828	8.2
63.02374	1.7
65.00296	2.9
68.60119	1.1
71.01371	2.0
71.53989	1.3
78.95883	3.6
80.02660	1.0
80.96510	2.4
83.01360	1.4
83.05012	4.6
85.02925	2.2
89.02441	2.7
93.03458	2.2
95.01355	1.6
96.96997	1.3
97.06559	1.3
99.11752	1.1
101.02396	3.9
103.40192	1.2
107.01350	4.9
109.58872	1.1
111.08177	1.5
113.02438	1.7
121.02943	5.5
125.02429	2.3
133.03093	1.3
149.02428	2.6
151.00352	15.1
163.11186	2.9
165.12791	3.2
171.10229	2.5
175.00273	2.0
178.99919	7.3
183.13979	1.2
189.01904	1.2
191.05562	2.8
195.13867	5.1
197.11775	4.9
198.12094	1.3
199.03893	2.5
202.99792	4.7
207.10295	1.7
209.11816	100.0
210.12117	8.4
211.13486	7.0
215.03552	1.7
223.13353	2.7
227.03410	2.0
227.12874	10.4
235.08157	3.3
243.02866	3.9
253.09235	13.2
255.02943	5.1
256.03857	1.4
271.02457	22.4
272.03009	1.6
275.20114	5.9
285.04208	1.7
285.07657	4.1
287.12656	1.7
291.19592	3.0
293.21219	50.4
294.21591	2.1
299.01898	15.9
300.02676	21.8
301.03482	5.1
309.20782	5.5
310.21051	2.0
325.03296	1.5
331.11707	1.3
353.02896	4.1
353.06702	3.7
399.21732	4.2
425.19748	1.8
435.10812	6.8
443.20776	6.2
445.20486	2.0
446.08496	5.0
463.14133	1.7
481.15036	2.4
495.16760	1.9
575.22736	5.2
592.23022	3.1
593.23895	65.1
594.24420	12.6
635.24805	1.7
739.29602	49.5
740.29724	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	737.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
79.72120	0.3
81.03456	5.0
83.05022	14.2
84.05338	0.3
95.28001	0.3
98.19923	0.6
100.07683	0.4
108.04490	0.4
125.07163	0.9
126.05553	0.3
191.05496	0.4
207.15010	0.8
224.17744	1.8
225.16075	13.2
226.16341	0.5
242.18654	0.6
262.03909	0.3
290.22522	0.4
309.21869	0.4
324.26498	0.4
333.22913	0.5
341.29126	0.7
367.27106	1.1
433.31708	0.9
450.34515	1.1
451.32935	6.9
452.33099	0.9
512.00708	0.3
519.07385	0.4
550.43262	1.5
559.39587	0.5
565.44299	0.3
565.52631	0.3
659.48651	1.7
677.49652	100.0
678.49945	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98828	100.0
62.98533	0.1
66.61220	0.1
71.01391	0.1
78.95939	0.1
89.02439	0.1
101.02441	0.1
119.03506	0.1
121.02951	0.1
209.11801	0.3
211.13380	0.1
225.11327	0.1
227.12901	0.2
255.02925	0.1
271.02515	0.3
277.21857	0.1
278.22107	0.2
279.22830	0.1
293.21255	0.2
294.21606	0.1
299.02188	0.3
300.02805	0.3
301.03598	0.1
330.95654	0.1
397.13721	0.1
398.13907	0.1
399.14249	0.2
400.14355	0.1
443.20517	0.1
446.08707	0.2
593.23553	0.2
739.29712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01375	12.9
61.98836	5.3
66.27962	0.7
69.03413	0.9
71.01382	9.2
71.05016	1.8
73.02931	2.0
80.02682	1.6
81.03458	2.6
83.01378	1.3
83.05022	7.5
84.02160	0.9
85.02943	2.6
87.00851	1.7
89.02438	5.0
91.04105	0.6
93.03455	1.2
95.01427	0.9
95.05041	1.5
97.02946	4.5
97.06570	1.1
98.20644	2.2
99.00849	1.1
101.02415	7.1
103.95329	0.6
109.06587	24.3
110.06937	0.7
111.08167	7.6
113.02431	3.8
116.93027	0.6
119.03493	1.2
121.06605	1.7
123.04530	2.0
125.06062	0.7
135.08168	3.6
136.05263	1.4
142.02701	0.8
145.05006	0.8
153.26213	0.7
161.04568	3.3
161.09741	1.2
163.11279	15.4
164.11659	0.8
165.12798	2.4
165.65231	0.7
167.10724	1.7
171.10262	2.8
177.12839	1.6
179.05609	0.9
179.10716	2.1
179.14371	0.7
181.12253	3.8
189.09186	2.8
189.10826	0.6
191.05455	0.9
191.10750	1.3
195.13876	7.3
196.14384	0.8
197.11877	1.2
201.71393	0.7
207.10240	67.2
208.10559	4.5
209.11812	100.0
210.12180	5.9
211.13330	1.1
222.21875	0.8
223.09799	1.1
223.13281	3.2
225.11308	31.5
226.11674	3.0
227.12869	14.2
229.14760	1.0
235.08183	8.2
247.20711	1.8
253.09258	21.8
273.18506	0.9
275.20102	3.8
291.19641	82.8
292.19934	8.6
293.21207	58.0
294.21439	4.7
299.14914	1.4
309.20743	1.6
329.21005	0.8
443.19287	4.7
445.20865	1.3
461.20328	10.3
462.20773	1.2
527.28546	4.6
528.29419	0.7
719.40216	2.4
737.41187	24.1
738.41382	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.29878	0.4
59.01378	6.2
61.98829	1.2
69.03447	4.3
69.96191	2.3
71.01379	6.3
71.05023	1.9
73.02947	1.6
78.24113	0.4
78.95895	0.9
80.96521	1.4
81.03460	0.5
83.01402	0.7
83.05012	0.6
85.02953	1.3
87.00889	1.3
89.02434	2.4
89.87370	0.5
95.01395	0.8
97.02966	0.5
97.06584	1.0
101.02433	3.6
109.06589	0.8
113.02432	1.7
119.03471	0.7
123.08167	1.2
125.09684	2.6
151.11281	2.5
152.99538	0.7
153.12845	0.9
161.04564	1.3
161.09714	4.9
169.12312	1.4
179.10780	9.3
180.11150	0.8
197.11824	49.8
198.12149	3.0
207.10225	0.6
209.11760	0.6
223.09708	1.4
225.11255	1.2
233.22778	0.7
234.29022	0.4
235.08191	0.9
241.10843	1.8
253.09285	3.2
254.09525	0.5
255.23131	0.5
256.00089	0.5
257.87909	0.4
259.20703	0.5
266.67853	0.4
277.21707	60.7
278.22049	6.0
293.21378	0.7
459.18765	0.9
477.19724	1.9
523.50397	0.5
575.35132	0.6
719.41180	0.8
737.41107	100.0
738.41443	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63459	0.5
59.01380	11.2
70.16953	0.6
71.01365	5.6
73.02943	1.4
80.02685	0.9
81.03457	2.1
83.01373	1.2
83.05016	2.9
85.02952	2.1
87.00883	2.1
88.98818	0.5
89.02454	3.7
95.01364	0.8
95.05019	0.8
97.02950	6.5
97.06612	0.6
99.00881	1.9
99.67313	0.5
101.02439	5.3
106.04236	0.5
106.40991	0.5
107.05058	0.9
109.06593	31.5
110.03738	1.6
110.06939	1.2
111.00918	0.8
111.08159	0.7
113.02459	3.4
114.02762	0.6
119.03477	0.8
121.06602	1.7
121.10268	0.6
123.04539	3.3
125.02467	0.6
135.08197	3.2
136.05284	0.9
142.02725	1.6
143.03415	0.5
145.10283	0.6
161.04570	2.4
161.09763	1.1
163.11292	17.8
164.11565	1.2
171.10274	1.5
179.05640	1.0
179.10814	0.7
179.14415	1.0
181.12349	3.1
189.09250	3.1
195.13901	9.5
205.08598	0.5
205.12260	0.5
207.10249	84.0
208.10585	5.7
209.11876	4.6
211.13348	1.3
223.13364	6.0
224.13969	0.5
225.11325	30.5
226.11618	1.7
228.13602	0.8
235.08183	3.2
239.30591	0.6
253.09283	21.9
254.09613	1.2
256.13101	1.0
265.21701	0.7
275.20166	6.4
276.20605	0.6
281.13681	0.8
291.19635	2.8
293.21222	100.0
294.18237	0.7
294.21539	10.7
299.14944	2.0
331.44217	0.5
443.19293	3.8
457.33194	1.0
461.14319	0.8
461.20248	10.1
462.20712	1.2
483.31149	1.0
501.33286	0.6
516.99445	0.6
529.30042	1.2
604.01062	0.5
719.39990	2.1
737.41156	33.6
738.41339	9.7
738.53595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.1
61.98826	100.0
62.98544	0.6
63.99229	1.4
71.01389	2.1
78.95894	1.1
79.95735	2.2
80.02657	0.8
80.96525	3.7
83.05035	2.3
85.02942	1.4
87.00890	1.0
88.98812	1.4
89.02462	1.0
89.96432	0.6
93.03451	2.9
94.98080	0.8
96.96046	0.9
101.02477	0.7
113.02490	0.7
125.02471	0.9
126.74989	0.6
135.10429	0.5
161.02489	0.6
163.11275	1.4
165.12837	0.9
169.01361	0.6
169.12292	0.6
171.10280	0.8
173.04596	1.9
179.03476	0.8
191.05612	12.1
191.07158	1.0
192.05981	1.0
197.11880	1.0
207.10597	0.6
209.11815	36.2
209.19667	0.6
210.12198	2.7
222.36514	0.7
225.11292	1.3
227.12889	6.0
243.12286	0.6
253.09366	1.9
261.27261	0.6
339.76068	0.6
352.52084	0.7
406.03226	0.6
445.20551	1.1
737.30280	3.5
738.31903	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	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03452	1.0
59.01377	7.4
61.98814	2.2
69.03449	3.4
71.01379	5.9
71.05017	2.4
73.02936	1.5
76.58171	0.5
78.95896	0.9
80.96523	1.3
82.39779	0.4
83.01411	0.7
83.05022	0.7
85.02948	1.6
87.00873	0.9
88.98787	0.5
89.02443	2.4
95.01379	0.6
97.02929	0.6
97.06593	1.5
98.19858	1.2
101.02431	3.9
111.04575	0.5
113.02453	1.4
113.82117	0.4
123.08157	1.6
125.09708	2.5
137.09686	0.5
151.11276	1.4
152.99663	0.7
153.12811	1.6
161.04599	1.2
161.09702	3.4
179.10774	6.7
197.11810	92.2
198.12183	5.1
205.08705	1.3
207.10280	0.7
209.11911	0.7
223.09734	2.6
225.11334	0.6
235.08221	0.6
241.10762	4.0
253.09251	3.7
277.21695	30.8
278.22040	2.9
342.46301	0.4
459.18719	1.5
477.19702	3.7
478.19720	0.5
575.35889	0.5
737.41064	100.0
738.41449	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
65.03943	0.2
67.01892	0.5
69.03442	0.5
71.01375	0.7
73.02941	0.3
85.02946	5.7
87.00871	1.4
93.03448	3.1
97.02962	0.6
97.35130	0.2
98.19933	0.6
99.04503	0.3
106.29662	0.3
109.02934	0.5
111.04496	0.8
119.05000	0.8
127.03989	1.8
133.02917	1.2
135.04507	0.4
145.02951	0.7
145.12622	0.3
161.02444	3.6
163.04016	1.3
171.03023	0.5
173.04527	1.6
191.05598	100.0
192.05962	3.8
337.09268	22.6
338.09665	1.9
399.12793	1.8
553.95947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59528	0.5
57.03434	0.5
59.01367	1.5
61.98815	4.2
63.96232	1.4
71.01379	8.6
71.02678	1.0
72.99351	0.6
73.02950	2.5
78.98586	7.2
79.95731	14.7
80.96513	83.0
81.03468	1.0
83.01335	0.5
83.05025	0.7
85.02946	3.6
87.00870	3.5
94.98083	17.4
96.95999	1.7
97.02953	2.3
101.02425	2.8
106.98097	3.7
117.12540	0.6
122.97578	3.5
125.02421	3.8
127.04005	0.9
134.97575	5.3
136.99112	1.1
143.03534	0.6
146.97565	0.6
148.99127	7.1
152.98631	7.6
164.98615	15.4
167.00269	0.5
191.05582	1.1
194.82819	0.6
197.11717	0.6
206.99632	3.4
209.11778	5.5
225.00734	24.6
226.01033	0.7
283.04858	0.6
509.16953	4.0
559.32971	0.7
660.31519	0.5
737.30560	100.0
738.30872	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	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.98116	0.2
60.58362	0.2
61.86294	0.2
61.98829	100.0
71.01382	1.1
73.02969	0.2
74.13509	0.2
78.95903	1.0
85.02953	0.3
87.00872	0.5
89.02447	1.1
91.22675	0.2
97.02982	0.3
101.02433	0.9
109.06631	0.5
110.74270	0.2
113.02481	0.3
119.03516	0.2
125.02456	0.4
132.15944	0.2
152.99641	0.5
161.04620	0.3
163.11282	0.6
166.42973	0.2
176.72102	0.2
179.05597	0.3
182.94734	0.2
191.05638	0.4
195.13910	0.3
195.74138	0.2
197.11853	0.4
207.10194	1.2
209.11807	1.1
210.12216	0.2
211.13431	0.8
225.11322	2.8
227.12918	0.3
230.31076	0.2
235.08234	0.6
253.09348	0.6
271.17004	0.2
277.21713	1.8
278.22031	1.3
289.18195	0.5
291.19666	0.4
293.21198	2.4
397.13406	2.3
398.13971	1.6
415.14618	0.6
416.15085	0.8
443.19385	0.2
461.20380	0.6
523.88977	0.2
535.50299	0.2
737.41284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45001	0.2
54.86679	0.1
59.01366	0.4
61.98827	100.0
62.67636	0.1
71.01408	0.2
78.95913	0.6
95.35390	0.2
98.19944	0.4
109.06620	0.4
128.20157	0.1
148.86581	0.2
152.04028	0.2
152.99590	0.3
163.11218	0.3
163.52148	0.2
171.10300	0.4
173.04532	0.2
191.05589	0.3
197.11703	0.2
207.10284	1.1
209.11801	1.3
209.13467	0.2
211.13445	0.8
212.13701	0.4
223.13200	0.2
225.11317	0.9
227.12939	0.3
229.02188	0.2
231.19176	0.2
235.08369	0.2
253.09409	0.3
277.21753	0.2
279.23520	0.2
291.19730	0.7
293.21179	1.0
307.19473	0.2
346.95865	0.2
348.95370	0.2
357.49506	0.2
461.21194	0.2
736.38861	0.3
737.41254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15007	0.6
52.23672	0.6
57.03421	0.8
59.01366	2.2
62.66925	0.8
67.01879	1.7
69.03458	1.8
71.01386	1.5
71.52551	0.9
73.02963	0.7
80.45872	0.6
80.63168	0.7
81.03474	1.1
83.05030	1.5
85.02952	11.8
87.00878	4.1
88.65228	0.6
93.03441	9.8
99.00872	0.9
99.04470	0.7
101.02438	0.7
109.02948	14.7
111.04526	2.4
127.03980	2.8
135.04553	0.9
145.02934	1.2
147.04477	1.2
149.02338	1.0
149.06023	0.9
155.03520	1.7
157.02936	14.0
159.04512	9.3
160.04939	1.0
161.02496	1.0
163.03993	1.8
171.02922	0.9
173.02336	1.1
173.04536	5.9
174.03174	2.3
175.02525	1.2
175.03967	6.9
185.02365	2.5
191.05602	87.9
192.06007	4.3
201.01918	2.6
203.03474	3.0
218.02179	0.9
219.02950	4.8
221.06137	1.4
223.07516	0.8
229.01396	100.0
230.01741	6.5
237.05583	2.3
239.07227	1.6
247.04015	0.9
248.04645	1.2
249.05592	2.8
250.06142	0.8
251.07034	0.8
253.05093	1.4
254.05716	0.8
264.04300	1.2
265.05026	5.5
266.05786	1.9
267.06598	10.1
269.08237	3.5
276.04291	1.9
277.04999	7.0
278.05606	1.9
280.03513	1.1
281.04352	1.0
292.03793	2.4
293.04547	20.8
294.05060	3.0
295.06076	20.2
296.06442	1.3
309.03955	0.9
311.05551	2.6
313.07214	3.5
321.04001	24.1
321.07687	1.5
322.04510	1.7
337.03647	1.9
338.04257	6.6
339.05045	43.0
340.05475	4.2
349.09384	1.3
353.08823	1.8
373.11789	0.9
375.12842	2.1
393.08145	1.4
403.06683	1.3
469.11337	2.0
485.10736	1.6
487.12003	1.0
513.10352	74.6
514.10730	11.1
545.13245	4.4
705.16626	18.2
706.16882	3.0
737.19305	25.7
738.20325	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	736.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.2
61.98828	100.0
62.88452	0.1
62.98527	0.2
69.26606	0.2
69.27003	1.0
71.01405	0.2
78.17161	0.1
78.95912	0.3
79.95736	0.2
80.96510	0.3
87.72118	0.1
109.06671	0.1
191.05673	0.5
197.11723	0.7
207.10440	0.2
209.11864	0.6
210.12352	0.1
211.13425	0.4
223.13489	0.1
225.00783	0.2
225.11452	0.2
277.21771	0.1
291.19797	0.2
388.58920	0.1
408.18143	0.1
504.93835	0.1
737.34210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98538	0.2
71.01401	0.1
79.95727	0.1
80.96509	0.3
85.02972	0.1
87.00890	0.1
99.00854	0.1
134.97641	0.1
164.22034	0.1
164.98700	0.1
186.13029	0.1
191.05655	0.3
197.11913	0.1
209.11894	0.2
225.00778	0.1
257.58902	0.1
356.96902	0.1
366.37265	0.1
441.51535	0.1
451.49112	0.1
736.28918	0.4
737.30481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94860	0.1
54.20470	0.1
59.01378	0.3
61.98828	100.0
62.98518	0.1
69.72762	0.1
70.53466	0.4
71.01376	0.3
78.95921	0.2
79.95769	0.2
80.96535	0.5
83.05010	0.2
85.02925	0.2
88.71176	0.1
89.02446	0.1
94.98068	0.2
96.96001	0.1
98.20617	0.1
101.02437	0.3
107.31683	0.1
110.34486	0.1
121.10211	0.2
125.09785	0.3
159.01964	0.1
163.11282	0.4
165.12830	0.1
171.10286	0.3
185.11880	0.4
191.05664	0.6
195.13869	0.1
197.11746	0.1
207.10217	0.2
209.11809	5.0
211.13370	0.3
227.12930	0.6
235.08363	0.1
236.42908	0.2
253.09355	0.5
279.23389	0.2
289.17810	0.1
291.19638	3.9
385.40240	0.1
527.28827	0.3
737.32141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50293	0.2
55.36430	0.3
57.03442	0.6
59.01379	6.2
59.01656	0.5
61.98822	0.4
69.03455	2.3
71.01003	0.5
71.01381	4.3
71.05016	0.6
73.02939	0.6
78.95892	0.6
83.01433	0.3
83.05029	0.5
85.02958	1.0
85.06593	0.5
87.00870	1.0
89.02447	3.0
93.03458	0.6
95.01372	0.3
95.05035	0.5
101.02436	4.2
109.06594	0.8
111.08170	0.7
113.02448	1.8
119.03525	0.5
125.02450	0.3
125.09711	0.5
131.03444	0.3
135.11797	0.4
141.09274	0.3
143.03561	0.4
145.05069	0.5
149.09671	0.6
152.99564	0.3
161.04536	1.5
161.13345	0.4
167.10739	3.0
169.25237	0.2
173.04626	0.2
177.12798	0.6
179.05621	0.7
179.10751	1.0
179.14394	3.8
180.14630	0.4
182.43286	0.2
187.11214	0.3
191.05656	1.2
195.13902	15.6
196.14290	1.2
205.12312	9.7
205.14287	0.3
205.15927	0.3
206.12660	0.7
209.11903	0.6
211.13376	0.4
223.13382	100.0
224.13734	6.7
225.14961	0.8
228.13670	0.6
231.21104	0.5
235.08240	3.5
241.01103	0.3
253.09274	17.0
254.09665	0.7
255.23335	0.3
256.13092	0.9
265.21750	0.3
275.20132	5.2
276.20551	0.5
293.21213	81.9
294.21545	8.4
294.24069	0.2
441.20905	0.7
459.22314	10.7
460.22687	1.3
492.21945	0.5
499.34540	0.6
501.33398	0.3
529.30170	1.1
735.42633	1.0
735.79596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98817	4.7
69.03436	1.4
71.01368	7.6
73.02914	2.1
78.95880	2.7
78.98575	6.9
79.95728	13.9
80.96511	83.2
85.02933	3.0
86.29576	1.0
87.00858	3.1
94.97494	1.2
94.98077	16.0
96.95987	1.8
97.02924	1.7
97.73021	1.0
99.04494	1.1
101.02412	2.2
106.98068	3.3
122.97559	5.0
125.02404	2.7
134.97591	5.2
136.99124	1.4
147.15688	1.0
148.99127	5.7
152.98546	7.0
152.99655	1.7
164.98618	10.7
195.55296	1.0
197.11740	1.6
206.99696	2.4
225.00729	17.9
233.02914	1.4
255.23169	2.5
423.07422	1.1
479.15863	2.1
735.39850	100.0
736.40204	23.0
737.62073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34259	0.6
61.98837	0.7
62.23463	0.6
62.68116	0.5
63.96234	1.9
69.03453	1.2
69.15459	0.6
71.01385	8.5
73.02947	1.9
78.95909	0.8
78.98592	5.9
79.95739	13.2
80.96517	76.3
81.03441	0.8
85.02949	3.3
87.00876	2.1
94.98089	18.4
96.95999	1.9
97.02967	1.1
101.02438	2.2
106.98093	3.7
122.97589	3.7
125.02440	3.3
134.97585	5.4
136.99139	1.7
137.69032	0.6
148.46222	0.6
148.99117	6.5
152.98611	6.2
152.99615	0.8
164.98627	12.8
194.03162	0.6
197.11786	1.4
202.67015	0.6
206.99736	3.6
207.31761	0.7
225.00734	20.3
226.00792	0.9
247.81146	0.6
255.23273	2.6
265.45953	0.6
374.54501	0.8
405.59695	0.7
479.15878	2.1
537.27332	1.0
553.41412	0.7
735.39929	100.0
736.40363	23.1
736.53955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01379	7.6
61.98829	100.0
63.99270	0.8
64.26911	0.7
69.03447	1.3
69.75603	2.6
69.76016	1.6
71.01379	18.9
71.05059	0.9
72.99313	0.9
73.02940	3.6
73.96183	0.6
73.97618	0.6
80.04985	0.7
80.96548	1.8
81.03463	2.4
82.90079	0.7
83.01376	2.1
83.05036	4.5
84.02145	1.9
85.02964	2.8
86.02556	0.7
87.00887	3.0
89.02440	4.7
89.87342	0.8
91.36399	0.7
93.84238	0.9
95.01365	1.4
95.05031	2.0
97.02956	4.5
97.06613	1.1
99.00889	1.3
101.02451	7.0
109.06582	5.7
110.03708	1.4
111.00909	1.0
111.04530	0.9
113.02445	4.0
125.02480	1.0
125.06108	1.1
125.09698	4.8
127.11315	2.7
128.31145	0.9
135.08191	1.9
139.07700	1.0
142.02675	0.8
143.03548	1.0
153.09244	1.0
155.10849	1.0
161.04561	2.3
161.09743	1.3
163.11285	11.3
165.12874	2.0
169.12497	0.8
171.10266	47.7
172.10672	1.8
173.04451	0.9
177.09409	0.7
179.10797	2.3
181.12349	2.7
185.11899	3.6
189.09219	1.8
191.05670	2.2
191.10783	2.0
197.11819	8.1
199.09755	1.1
201.11296	21.2
202.11731	0.9
207.10258	28.7
208.10631	1.8
209.11821	51.3
210.12212	3.0
215.12897	2.4
225.11308	32.3
226.11798	2.0
227.12906	4.9
235.08234	5.8
239.12874	11.6
240.13268	1.3
243.12379	2.9
253.09300	14.9
254.09717	0.8
271.15448	1.6
273.17056	80.3
274.17453	6.4
295.10233	1.2
321.72229	0.7
443.19034	1.4
456.43802	0.9
461.20255	6.2
504.82172	0.8
509.26077	0.9
617.65344	0.8
637.90942	0.8
717.37506	3.1
735.27362	1.8
735.39063	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	735.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30981	0.3
59.01369	1.1
60.15882	0.3
61.98827	100.0
63.96236	1.0
69.03465	0.4
71.01382	4.4
73.02942	1.0
78.98586	3.7
79.95728	7.5
80.96512	41.9
81.03451	0.7
82.55143	0.3
83.50098	0.3
85.02946	2.3
87.00864	1.6
94.98082	10.0
96.96015	0.9
97.02951	1.2
98.20637	1.1
99.00815	0.4
101.02426	1.8
106.98106	2.3
109.06573	0.4
113.02412	0.3
116.92865	0.4
122.97569	1.9
125.02409	2.1
127.04033	0.6
134.97577	2.9
135.04477	0.5
136.99139	1.1
138.97052	0.3
148.99147	3.9
152.98613	3.3
163.11298	0.3
164.98613	7.2
166.95724	0.3
180.02402	0.3
188.98589	0.3
191.05585	2.3
206.23192	0.3
206.99673	1.8
207.10263	0.7
209.11780	1.9
210.12169	0.3
225.00723	13.3
225.11487	0.4
226.01010	0.5
273.17087	0.3
359.66666	0.3
478.72250	0.4
507.15286	1.3
509.16916	1.3
655.20990	0.4
735.28937	52.5
736.29321	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	733.577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18631	0.6
61.98821	2.0
63.90818	0.7
69.31075	6.4
78.95896	2.1
85.59544	0.7
98.20743	1.0
113.86808	0.6
121.36296	0.7
136.54561	0.9
147.17728	0.8
150.30196	0.7
152.99550	1.5
191.05501	0.8
196.89395	0.9
255.23300	1.4
277.21729	3.8
305.45859	0.8
455.35275	100.0
456.30560	0.8
456.35724	16.7
560.56195	0.9
653.49475	0.9
685.36005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07396	0.1
58.28522	0.1
59.01380	0.2
61.98828	100.0
62.98536	0.3
70.88932	0.2
71.16035	0.3
78.95900	0.2
80.96531	0.6
112.39291	0.2
179.34795	0.2
188.33685	0.1
191.05612	0.4
197.11678	0.3
209.11885	0.5
219.75972	0.2
221.01924	0.2
231.73335	0.1
262.05676	0.1
293.33557	0.2
347.27234	0.2
612.16595	0.2
678.94507	0.2
696.85883	0.2
734.28314	0.5
735.28088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98534	0.2
70.11335	0.1
70.75322	0.1
83.40627	0.1
131.65770	0.1
146.90709	0.2
208.19225	0.1
224.00676	0.1
312.39679	0.2
688.18939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.7
61.98842	2.0
62.29708	0.3
69.03446	0.5
69.16605	2.5
69.17014	0.5
71.01379	2.6
71.35860	0.3
73.37952	0.3
78.95903	0.7
81.84119	0.3
85.02959	0.4
87.00903	0.4
89.02431	1.0
95.01351	0.3
99.39964	0.3
101.02448	1.1
108.67558	0.3
109.06618	0.5
113.02428	0.8
119.80522	0.3
152.99562	0.4
161.04610	0.5
163.11209	0.4
171.10309	0.6
181.12137	0.3
183.13899	5.9
184.14244	0.3
191.05484	0.4
193.12312	1.5
207.10197	0.6
209.11757	0.8
211.13383	100.0
212.13728	6.5
225.11337	0.5
227.12892	0.5
235.08209	1.9
253.09259	3.9
295.22610	0.3
429.21359	1.8
447.22333	9.5
448.22641	1.4
597.33105	0.5
623.34155	2.0
624.35114	0.5
637.32770	0.4
641.35205	1.7
642.36084	0.4
682.57410	0.3
733.38824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01380	6.3
61.98827	6.7
64.10004	1.0
68.99563	3.9
69.03432	2.3
71.01383	4.6
71.05032	1.3
71.44920	2.0
71.45241	1.3
76.45760	1.1
78.95901	4.3
85.02975	1.3
87.00880	1.3
89.02426	2.6
101.02427	3.5
111.08158	8.0
112.98586	3.3
113.02457	2.7
114.15617	1.1
116.92828	1.9
119.35822	1.1
152.99591	2.4
157.13017	1.1
167.10768	5.7
171.10257	1.2
177.12909	2.4
179.05592	1.4
179.10799	2.6
179.14404	3.4
191.05614	2.5
195.13910	14.1
196.14317	1.3
205.12370	7.3
223.13370	81.4
224.13707	6.6
235.08243	4.0
247.20625	2.8
253.09351	10.9
255.23174	1.7
273.18533	1.2
277.21777	1.2
278.21976	1.4
291.19638	100.0
292.20004	10.7
297.90884	1.0
364.44009	1.1
459.22382	7.8
460.22806	1.6
486.72485	1.1
509.27335	1.8
527.28461	6.5
564.33051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	33.8
62.80299	6.7
69.03004	5.2
70.07021	15.1
70.07418	10.8
78.95892	25.6
87.00855	5.7
107.48116	5.2
113.02565	6.8
114.06243	6.1
126.16130	7.6
139.02669	6.7
139.74335	5.7
141.97189	5.9
146.38002	6.3
174.41805	5.4
207.10242	34.0
209.11758	8.6
225.11288	8.3
235.08229	8.6
253.09366	12.5
253.21666	100.0
255.23224	9.9
277.21799	8.8
295.22980	7.0
305.24976	6.3
380.90707	7.4
455.35291	25.2
628.37274	7.0
697.41370	27.7
698.42053	6.6
733.38696	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	732.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70790	0.1
61.98829	100.0
70.36359	0.4
70.75239	0.1
72.99366	0.2
74.06266	0.2
88.98815	0.4
101.08050	0.1
111.54629	0.2
133.02199	0.1
171.10275	0.4
187.45757	0.2
191.05548	0.3
209.11801	0.2
341.23654	0.2
453.77332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98827	100.0
62.98515	0.1
71.01395	0.2
72.99311	0.2
75.00889	0.3
78.95890	0.1
80.96509	0.1
95.85677	0.1
171.10330	0.2
191.05638	0.2
197.11765	0.1
207.10280	0.2
209.11858	0.2
210.12364	0.1
211.13625	0.1
223.13435	0.1
233.11884	0.1
609.29504	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	733.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69615	0.9
57.03441	2.3
59.01376	8.5
61.98830	71.6
67.09067	1.0
68.99825	5.4
69.03446	1.7
71.01385	13.3
72.99299	3.9
73.02943	2.0
75.00873	17.8
78.95883	1.1
81.03441	2.0
83.01388	4.1
83.05022	2.7
84.02178	2.0
85.02950	2.0
87.00882	2.6
88.98794	3.8
89.02445	5.5
90.19611	1.0
93.03457	1.1
95.01334	1.4
95.05019	1.2
97.02966	2.3
97.06594	2.2
97.81584	0.8
101.02441	5.4
109.06627	2.2
110.03722	1.5
110.95379	0.9
111.00838	1.0
111.04519	10.3
111.08170	1.0
113.02461	3.9
119.03451	1.0
120.99615	2.0
123.04459	1.1
123.08154	1.9
125.02392	1.6
125.09705	6.1
127.11260	2.0
135.08139	2.6
137.09708	1.4
143.55255	1.0
145.05045	1.1
151.11273	3.4
153.09155	2.7
155.10745	1.2
161.04498	1.5
161.09717	6.1
163.11250	2.3
165.12799	0.9
169.12260	0.9
171.10268	46.1
172.10570	2.1
177.09187	3.5
179.10774	9.2
181.12370	1.2
185.11873	2.3
191.05617	2.4
191.10770	2.7
195.10172	1.1
197.11789	10.1
201.11230	1.3
205.08681	13.5
207.10234	6.8
209.11803	11.8
211.13309	3.3
211.49596	1.0
213.11298	4.6
219.14250	1.1
223.09741	38.4
224.10059	4.0
225.11263	5.1
226.12077	1.1
227.12845	1.6
235.08191	5.6
239.12921	2.5
241.10805	3.6
241.14389	1.5
243.15898	1.8
253.09270	13.6
254.09506	1.4
273.17059	100.0
274.17374	7.6
330.36597	1.0
407.18893	1.3
427.26205	1.3
441.17618	2.2
457.20261	1.0
459.18787	6.0
487.33957	3.8
488.34723	1.1
509.26227	2.4
623.30560	3.0
641.31543	1.2
642.31763	1.0
689.33813	1.7
715.35492	10.6
716.35645	2.8
733.36493	16.3
733.47949	1.7
734.36987	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	730.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79561	0.2
61.98829	100.0
65.24614	0.2
80.96531	0.7
141.40285	0.2
171.10332	0.5
209.11977	0.3
277.21753	0.2
281.24976	0.4
300.12125	0.2
327.77094	0.2
377.96115	0.2
731.37177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.9
69.03458	0.6
69.27869	3.1
71.01379	3.2
72.97512	0.3
85.02939	7.2
85.09424	0.3
87.00867	1.5
89.02440	3.9
93.03439	2.6
100.73140	0.3
101.02434	1.4
109.02912	0.5
111.04499	0.8
113.02464	1.1
114.45120	0.3
119.03503	1.6
121.06577	0.4
127.03992	2.0
133.02888	0.7
135.04489	2.2
143.03513	0.6
143.11632	0.3
161.02417	1.4
171.02899	0.4
173.04514	1.6
179.03474	1.9
179.05620	2.3
191.05591	100.0
192.05934	5.2
193.06100	0.6
197.08090	0.4
295.97867	0.3
333.15524	0.6
341.08395	0.4
353.08725	13.1
354.08936	1.1
377.14478	5.2
378.14902	0.5
389.10980	0.9
474.44666	0.3
594.04492	0.4
704.10956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12986	0.1
61.98829	100.0
83.04053	0.2
89.54543	0.2
98.20671	0.4
133.14301	0.2
212.97917	0.2
218.24866	0.2
229.17552	0.2
474.77274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.5
61.98825	5.9
71.01363	4.5
71.52601	2.1
83.05024	4.6
89.02459	4.0
101.02443	1.8
151.58470	1.6
163.11308	3.7
179.14301	2.0
191.05594	12.7
195.13904	5.7
197.11774	3.9
201.09531	2.4
201.11295	21.4
205.12389	3.2
207.10204	3.2
209.11813	100.0
210.12112	6.2
211.13347	3.7
223.13377	45.9
224.13744	3.6
225.11293	2.2
227.12894	12.8
235.08223	3.3
253.09268	13.1
309.20651	6.2
379.59113	1.6
379.82794	1.6
445.20908	2.2
459.22009	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	730.329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
75.00879	0.5
88.05015	0.1
98.19850	0.3
108.88212	0.1
168.51372	0.1
173.09081	0.1
191.05649	0.4
203.88484	0.1
209.11963	0.3
639.65540	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	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87543	0.2
61.98829	100.0
62.98557	0.2
67.56429	0.2
80.96528	0.5
94.98149	0.1
97.30765	0.2
97.84203	0.2
98.20781	0.3
111.61397	0.2
117.28368	0.2
161.33313	0.1
171.10191	0.3
172.10693	0.2
209.11858	0.2
253.21814	0.2
277.21469	0.2
278.21991	0.4
281.24905	0.3
424.05237	0.2
493.14529	0.2
731.36621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16982	0.7
51.53445	0.7
57.03435	0.8
58.00577	3.0
59.01378	49.2
67.01894	2.0
68.99813	1.7
69.03456	30.9
69.31904	6.0
70.03775	0.7
71.01379	36.8
72.99299	3.9
73.02904	0.7
73.78157	0.6
73.93745	0.7
80.34662	0.6
83.01381	2.6
85.02940	8.9
87.00879	4.6
89.02446	32.0
93.03447	5.8
95.01401	3.5
95.05006	2.2
97.02950	24.6
98.20660	1.7
99.90660	0.7
101.02448	16.6
105.03468	1.4
105.07164	0.8
108.02174	1.1
111.00850	2.4
113.01707	1.2
113.02450	11.7
119.03500	10.7
119.05003	2.7
121.02959	3.8
121.06637	1.5
123.04514	18.9
124.04817	0.8
131.03535	1.2
131.05040	2.0
133.06580	0.8
135.04507	1.7
137.06061	1.2
143.03484	1.0
143.04958	0.9
145.02943	1.9
145.06577	1.3
147.04517	2.5
149.02438	3.4
149.06075	10.0
151.00389	1.2
157.06564	1.7
159.04498	1.3
161.04483	1.4
161.06134	0.7
167.03568	1.3
167.05019	0.9
167.07120	1.9
169.06404	0.7
171.04465	1.0
173.06056	1.8
175.04002	1.6
175.07643	5.0
177.05589	4.0
179.05580	4.6
179.17302	0.7
183.08134	2.3
185.05998	1.5
191.05606	7.5
192.05838	0.8
193.05019	10.1
193.06601	1.1
201.09210	0.8
203.03517	1.7
211.07591	3.9
219.06480	2.0
227.07271	1.0
229.08607	5.3
237.09142	2.5
253.12198	1.0
255.06676	1.4
263.10892	0.8
273.07791	1.5
281.11807	5.9
282.60132	0.7
301.03577	2.0
325.10767	1.5
343.09225	2.0
353.08521	1.2
355.10425	1.0
373.11368	21.1
374.11752	2.2
375.12469	0.8
399.12891	2.2
400.13675	0.8
409.14731	0.9
453.14172	6.2
454.13928	0.8
477.06943	1.3
478.90750	0.8
497.13016	1.9
505.17142	2.8
523.18500	1.5
549.16016	2.4
685.23431	2.5
729.22430	100.0
730.22748	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39962	0.4
59.01378	18.2
60.44004	0.4
61.98829	100.0
62.98520	0.5
67.01895	1.1
68.12959	0.4
68.99802	0.5
69.03455	17.0
71.01007	0.9
71.01382	12.1
72.99307	0.5
73.02952	1.9
83.01394	0.9
85.02953	5.1
85.60262	0.4
87.00861	1.1
89.02441	10.1
90.13124	0.5
93.03452	4.7
95.01373	1.3
95.05016	1.0
96.96022	0.7
97.02950	28.2
98.03276	0.8
99.00866	0.7
101.02432	6.4
105.03441	0.7
107.05012	0.4
109.02939	0.6
111.04514	1.4
113.02454	7.3
119.03490	4.1
119.05023	0.9
121.02950	4.3
121.06587	0.9
123.04519	6.3
125.02386	0.6
133.06519	0.4
135.04469	1.4
139.04031	3.1
141.01936	2.2
142.31938	0.4
143.03441	0.8
145.06610	0.5
147.04434	1.1
147.08110	0.7
149.02422	0.8
149.06064	7.5
151.04012	0.8
161.04483	1.6
161.05972	1.0
163.07646	0.8
165.05499	0.9
167.07127	2.2
173.05986	1.2
179.05547	1.6
187.86664	0.4
189.05598	0.5
191.05518	2.4
191.07085	1.2
193.05049	7.7
269.10141	0.6
276.20520	0.4
373.11371	6.3
408.08896	0.5
419.49399	0.5
453.14108	5.2
454.13605	0.5
475.14236	1.7
497.20053	0.5
505.17130	0.7
505.23798	0.6
505.34091	0.6
506.34460	0.9
517.15106	0.5
523.17657	1.9
549.22296	0.6
624.05048	0.5
685.22748	0.7
693.32605	0.8
729.21619	32.3
730.21814	7.1
748.99762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09816	1.6
57.38196	1.8
59.01377	50.5
68.99812	5.5
69.03454	44.4
69.37491	14.3
71.01378	31.5
72.99300	1.8
85.02939	7.5
87.00871	6.7
89.02443	35.3
93.03477	8.8
95.01373	3.1
97.02946	64.9
98.03345	2.6
99.04453	1.8
101.02422	15.6
105.03433	2.0
113.02431	11.0
119.03475	9.2
121.02928	7.2
121.06577	3.6
123.00849	3.5
123.04526	22.6
128.81810	1.9
130.14769	1.8
140.27794	1.8
141.01929	6.4
143.03519	2.0
147.04558	1.9
149.02422	7.2
149.06053	20.5
153.84000	1.8
161.04616	2.2
165.05586	2.3
167.07155	4.2
179.05623	9.3
183.02948	7.1
191.03490	2.1
191.05536	2.5
193.05017	31.0
252.44026	1.9
252.67035	1.8
253.07018	2.2
259.36111	2.0
261.04562	1.7
294.96344	2.0
301.23694	1.9
316.29977	1.9
316.66586	1.9
317.52969	1.8
330.93906	1.9
355.10294	6.2
373.11349	44.2
374.11819	3.0
415.12280	5.3
453.13318	2.8
654.59174	2.4
729.22382	100.0
730.22900	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	729.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82370	1.2
57.03439	1.7
58.00588	2.1
59.01376	36.7
67.01846	2.5
68.99812	1.8
69.03453	49.0
70.84703	1.3
71.01009	2.0
71.01380	30.5
72.99273	2.2
85.02962	13.9
87.00871	3.3
89.02438	27.1
93.03459	12.4
95.01391	6.0
97.02943	60.5
98.03284	1.3
98.20683	2.6
101.02422	12.1
103.05532	1.5
105.03457	3.0
110.92261	1.3
111.36971	1.2
113.02444	17.8
114.02765	1.3
119.03513	9.3
119.04973	2.5
121.02983	6.1
121.06590	4.3
123.00882	1.5
123.04518	11.3
125.02419	6.2
125.93342	1.3
131.03452	1.4
134.03683	1.4
141.01918	3.9
141.35251	1.3
142.57886	1.2
143.03494	1.4
147.04439	2.0
149.02438	6.2
149.06078	20.1
152.94019	1.2
167.07100	2.8
169.01366	6.6
174.04774	1.1
175.03976	1.9
179.05586	4.1
191.05638	12.7
193.03368	1.9
193.05051	27.2
216.78844	1.2
242.15401	1.3
355.10260	3.8
373.11386	38.1
374.11829	4.1
469.05057	1.6
469.55496	1.7
497.12817	2.1
506.24307	1.4
553.53186	1.4
729.22418	100.0
730.10791	2.0
730.22809	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.1
58.53719	1.3
59.01378	44.4
60.98446	1.4
67.01885	2.7
68.99804	5.4
69.03458	45.3
69.45509	10.9
69.45910	2.3
71.01385	26.4
72.99299	1.6
83.01367	2.1
85.02937	5.7
87.00883	5.9
89.02447	29.3
91.73602	1.3
93.03438	10.1
95.01396	5.4
97.02947	100.0
101.02435	14.0
105.03471	2.9
111.00886	1.6
113.02442	13.5
119.03507	10.5
120.94800	1.4
121.02969	6.8
121.06601	3.2
123.00874	4.2
123.04519	20.1
129.01813	1.7
131.05049	1.9
135.04549	1.8
141.01917	6.4
143.03481	2.5
149.02411	5.9
149.06070	23.0
163.04013	4.2
165.01965	7.1
165.03125	1.4
167.07155	4.6
178.69823	1.5
179.05579	7.3
179.07069	2.6
183.02956	5.7
183.77164	1.4
191.03528	2.7
193.05058	27.9
217.05046	2.1
235.06107	6.1
355.10400	3.6
373.11371	56.5
374.11719	6.7
415.12381	4.5
453.14029	3.8
506.53448	1.6
567.16687	1.7
729.22479	53.5
730.22626	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	728.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64114	0.1
59.01375	0.8
61.98829	100.0
62.98536	0.2
71.01372	0.1
98.19939	0.3
191.05614	0.4
192.73357	0.1
218.69392	0.1
504.34262	1.0
505.34406	0.9
506.34586	1.1
701.33325	0.1
729.23993	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	729.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78568	2.0
58.00595	2.7
59.01379	55.8
68.99800	6.0
69.00874	2.1
69.03452	46.5
69.45354	15.9
69.45724	2.1
71.01379	34.8
72.99305	2.8
85.02943	6.8
87.00883	6.5
89.02449	33.2
93.03473	12.9
95.01390	3.4
97.02943	65.4
101.02438	20.1
105.03434	3.7
113.02438	10.7
119.03479	15.5
121.02939	10.8
121.06600	4.2
123.00864	2.9
123.04506	29.6
141.01924	4.2
149.02388	5.0
149.06078	23.0
167.07205	4.4
179.05580	10.3
183.02979	5.6
191.05580	7.8
193.05028	29.2
244.73514	2.6
247.18004	2.4
253.07076	3.3
288.09940	2.8
355.10315	7.5
373.11331	46.0
374.11725	4.6
415.12238	2.9
729.22455	100.0
730.22644	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	728.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
58.00592	0.3
59.01378	6.3
60.13809	0.1
60.99310	0.2
61.98827	100.0
62.98524	0.2
67.01901	0.2
69.03450	4.6
69.03812	0.3
69.42849	0.4
69.43276	0.7
71.01382	3.7
72.99315	0.2
73.02943	0.7
73.94602	0.1
77.40912	0.1
78.91727	0.2
83.01384	0.4
85.02946	2.0
87.00880	0.3
89.02441	3.3
91.85297	0.1
93.03461	1.5
95.01402	0.6
97.02947	7.8
99.00894	0.2
101.02444	2.3
105.03450	0.4
107.59115	0.1
108.02192	0.2
111.04499	0.3
113.02454	2.4
113.03244	0.2
119.03506	1.2
119.05010	0.2
121.02941	1.5
121.06634	0.5
121.74548	0.2
123.04523	1.6
123.51353	0.1
125.02428	0.2
131.04942	0.2
135.04552	0.6
138.87355	0.1
139.03998	0.7
141.01956	0.6
143.03543	0.2
145.06599	0.3
147.04552	0.3
147.08171	0.2
149.06062	1.9
161.02477	0.3
161.04543	0.3
161.06050	0.4
163.07629	0.2
165.01958	0.2
165.05547	0.2
167.07153	0.6
169.01494	0.2
173.04736	0.2
173.06125	0.5
179.03522	0.3
179.05646	0.3
189.05650	0.3
191.05644	1.6
191.07187	0.7
192.06021	0.1
193.05032	2.4
251.09225	0.2
269.10416	0.2
279.64987	0.1
373.11414	1.3
385.21225	0.1
397.11542	0.2
419.74625	0.2
453.14157	1.4
453.20825	0.3
457.13675	0.1
475.14688	0.5
497.13397	0.3
497.20361	0.3
504.34106	0.8
505.17184	0.4
505.24255	0.2
505.34534	0.7
506.34656	0.9
519.20612	0.2
523.18347	0.5
523.25983	0.2
549.16107	0.2
549.23529	0.5
616.95972	0.2
679.77478	0.2
685.23535	0.3
693.33588	0.5
729.20837	9.0
729.33069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98510	0.2
69.49799	0.3
69.50204	0.9
74.16742	0.1
74.55401	0.1
77.98254	0.1
78.95927	0.2
98.19971	0.3
104.09525	0.1
175.55287	0.2
182.26926	0.2
191.05682	0.2
195.13782	0.1
197.11711	0.2
198.12207	0.2
203.97650	0.1
223.13382	0.5
224.13745	0.3
225.13979	0.2
243.67230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25752	0.5
55.57460	0.4
56.37718	0.5
57.14814	0.5
58.81635	0.4
59.01379	19.1
61.98829	2.2
64.15182	0.5
65.73001	0.5
71.01374	2.8
78.95921	1.8
81.30010	0.6
85.02944	0.8
87.00890	0.8
89.02451	1.8
97.37593	0.5
98.20686	1.0
101.02440	2.7
113.02454	1.4
125.09702	0.6
127.11276	1.3
152.99597	1.1
161.04503	0.9
171.10265	90.1
172.10616	4.7
209.11819	5.2
210.12177	2.8
211.12419	0.7
213.79872	0.5
225.11224	0.7
235.08194	3.6
241.01106	0.5
253.09273	8.5
254.09676	0.7
255.23322	1.4
277.21713	100.0
278.22058	9.6
279.23322	4.8
280.23688	3.4
281.24365	2.9
407.19159	1.2
513.30548	1.3
536.74390	0.5
613.21161	0.6
633.47638	0.6
691.38141	0.5
709.39087	1.4
727.37537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01377	33.9
61.98815	10.5
69.03449	3.5
71.01378	12.3
71.23236	1.4
73.02938	2.6
78.95910	3.2
79.63857	1.6
80.02653	2.0
81.03444	4.0
83.05025	4.2
84.55439	1.7
85.02941	4.8
87.00894	3.4
88.91566	1.6
88.98766	2.4
89.02444	7.9
93.88869	1.6
97.02964	9.6
98.20679	3.5
99.00881	2.0
101.02437	11.4
106.04230	2.2
107.05010	1.8
107.93653	1.8
109.06586	47.0
110.03711	2.2
113.02421	4.4
121.06573	2.9
123.08155	1.6
125.02444	2.8
125.09696	3.3
135.08141	5.5
142.02667	2.0
145.79662	1.6
161.04556	3.5
161.09715	4.6
163.11288	23.9
167.10751	2.3
171.10275	2.0
179.10747	2.2
179.14363	2.9
181.12325	4.7
185.11804	3.8
189.09227	2.3
191.05588	3.8
195.13925	9.3
197.11925	2.3
201.11264	3.1
205.12326	11.5
207.10248	100.0
208.10550	6.8
209.11818	4.8
211.13457	2.7
223.13383	79.8
224.13753	4.9
225.11304	54.2
226.11652	3.4
235.08212	5.9
245.26836	1.7
253.09341	14.2
287.16501	1.6
304.88928	2.2
307.19101	2.3
309.20914	2.2
342.97739	2.0
351.23184	2.0
369.24417	2.6
385.23749	4.3
388.25912	2.0
395.22305	11.6
403.25061	2.7
403.58359	1.7
413.23288	20.8
431.24457	7.9
441.20227	1.9
443.19199	7.3
459.22092	3.2
461.20239	24.6
462.20193	3.1
621.32739	4.8
631.31073	5.5
649.32147	45.9
650.32324	10.8
667.33240	46.6
668.33740	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	727.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.2
59.01377	37.3
60.12924	0.6
60.22263	0.6
67.01891	1.3
69.03455	49.0
71.01383	12.0
83.01379	0.9
85.02957	3.7
87.00872	2.1
89.02448	13.4
93.03440	3.0
93.07113	1.0
95.01367	1.0
95.05025	10.5
99.00891	1.7
101.02462	5.9
106.04246	2.3
111.00867	1.1
113.02450	6.2
115.00368	2.1
115.32807	0.7
115.69685	0.8
119.03504	4.3
119.04990	0.9
121.02955	5.3
121.06593	22.6
122.06860	1.1
123.04522	1.7
139.00409	5.4
139.04060	1.3
139.07642	2.2
149.06099	0.8
150.14194	0.7
161.02431	3.0
163.04068	1.1
165.05542	7.7
173.04514	2.1
175.02443	1.3
177.01875	2.9
179.05533	1.6
183.06602	5.0
191.05586	14.7
192.05890	0.9
196.83284	1.0
209.04565	6.3
233.04532	2.2
277.03522	4.8
319.04462	2.1
337.05624	0.9
337.09244	2.5
345.11865	11.8
346.12354	1.8
389.10883	100.0
390.11224	11.0
654.06921	0.8
713.80780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98643	1.5
69.39750	3.5
69.40158	9.6
85.02955	5.8
87.00876	2.9
93.03460	3.7
98.20683	2.7
102.72168	1.9
105.03442	2.4
106.99458	1.9
120.66147	1.8
133.02911	8.8
134.03244	2.4
135.04585	2.0
173.04562	2.3
178.52197	1.8
186.92528	1.6
191.05603	100.0
192.05939	4.0
301.74042	1.7
351.07166	3.4
353.08661	15.9
403.13770	1.9
555.13409	2.0
577.51239	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	727.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.2
61.98829	49.5
65.33365	2.0
71.01385	6.2
71.54460	3.0
78.95890	3.7
83.05034	2.7
85.02941	9.2
87.00859	3.5
88.98828	3.5
89.02470	2.6
89.32027	2.0
93.03412	5.8
96.96017	6.9
101.02420	5.2
104.97903	1.9
109.02934	3.1
113.02448	2.6
116.92967	2.4
125.02457	4.9
127.04034	3.9
133.74657	2.1
135.04535	3.6
136.01645	9.0
137.02357	2.5
151.00264	2.6
151.04002	10.1
161.02477	5.4
163.11406	1.9
165.05463	3.1
169.01355	4.9
173.04535	4.3
178.99785	2.3
191.05609	53.2
201.11328	25.9
209.11818	100.0
210.12155	8.8
227.12859	32.7
235.08244	6.2
253.09279	13.3
267.06567	6.4
282.09000	4.8
297.11166	9.9
301.03207	2.2
301.07074	4.5
315.12274	3.4
323.07889	2.4
345.13470	10.3
357.13330	7.8
437.20084	3.0
445.20728	16.7
505.35519	9.7
506.35168	3.4
537.27881	2.4
629.31531	4.9
727.33881	23.4
728.33325	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	727.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47850	0.8
57.29384	0.8
58.00576	1.2
59.01379	36.6
65.03967	1.3
67.01907	1.6
68.77781	0.9
69.03455	44.6
69.36552	0.9
71.01381	11.8
71.04436	1.8
72.99300	1.1
83.99638	0.9
85.02950	3.9
87.00893	1.8
89.02438	12.9
89.02944	1.2
89.62759	0.8
93.03456	3.3
93.07118	1.0
95.01377	1.6
95.05029	13.4
99.00845	1.2
101.02441	6.2
106.04232	2.5
111.00948	1.0
113.02455	4.8
115.00365	1.5
119.03542	5.8
119.05030	1.6
121.02946	5.4
121.06602	22.3
122.06943	1.3
123.04549	2.0
139.00375	5.1
139.07632	2.0
149.06052	0.9
157.01477	0.9
161.02428	1.3
163.04062	0.9
165.05582	9.0
173.04565	2.0
175.02438	1.3
177.01913	3.1
179.05800	1.2
183.06607	3.3
191.05632	11.2
200.55087	0.9
209.04463	6.5
219.02779	1.2
233.04500	1.9
277.03583	5.2
277.06326	0.8
319.04532	2.9
321.40140	1.0
337.05551	1.5
337.09064	1.8
345.11914	11.7
389.10892	100.0
390.11215	9.5
432.65411	0.9
466.89471	0.8
551.01544	1.0
633.60693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48328	0.5
55.76895	0.6
57.03445	1.2
59.01103	0.8
59.01377	7.4
67.01891	1.7
69.03470	3.3
71.01379	3.9
71.52930	0.7
73.02947	2.2
78.16492	0.5
81.03426	1.5
83.01379	1.0
83.05013	1.1
85.02946	16.3
87.00874	21.1
93.03471	6.0
95.01396	4.5
97.02955	5.3
99.04525	1.1
100.66323	0.6
103.04008	1.3
109.02952	3.0
109.03615	0.5
111.00880	1.2
111.04501	1.3
113.02444	4.9
115.00359	2.7
115.04084	0.6
119.05067	1.0
125.02442	0.7
127.04012	4.9
129.01871	0.5
133.02930	3.0
135.04523	5.1
137.02417	1.7
139.00339	3.6
145.05130	0.8
153.35666	0.7
155.03526	1.3
157.01427	1.9
161.02431	2.4
171.02968	1.1
173.04555	2.8
175.02473	10.2
176.02841	0.6
179.03502	4.0
181.01527	0.6
185.60803	0.6
191.05605	100.0
192.05939	4.3
199.02490	7.0
215.05513	1.1
217.03552	4.2
241.12231	0.7
285.06244	0.6
303.07208	2.9
321.08267	0.8
345.08295	1.8
351.07297	1.6
353.08737	11.1
354.09094	1.4
355.07999	1.2
375.06894	4.0
387.09308	2.3
475.68375	0.6
623.15070	1.1
709.18512	2.7
710.18695	0.7
727.20142	5.4
728.21149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71553	0.7
59.01375	32.7
61.98827	100.0
62.85131	0.8
69.69295	5.1
71.01366	3.9
73.02934	1.3
75.95458	0.8
78.95876	0.9
79.57765	0.8
85.02930	1.5
87.00872	1.7
88.98804	1.4
89.02425	2.8
93.03439	2.7
95.01354	1.1
96.96058	1.7
96.96884	0.7
101.02422	2.3
104.65132	0.8
109.03015	0.9
113.02450	2.1
115.96785	0.9
119.03515	1.9
121.02930	1.4
123.00903	1.8
123.04519	0.8
125.02428	2.2
133.02954	1.3
135.04494	2.4
137.02388	1.2
141.01918	1.0
149.02411	1.3
150.03201	3.0
151.03967	1.3
161.02344	1.0
165.05498	1.5
166.99785	1.9
168.00621	1.5
169.01457	5.2
171.10281	1.1
173.04570	1.2
179.03435	1.7
191.05600	16.3
192.06001	1.2
201.11281	2.0
209.11890	2.2
259.62375	0.9
286.63864	0.9
318.07474	1.4
327.21976	1.3
332.09015	2.0
333.09695	2.9
345.09607	2.2
353.08783	1.3
405.42145	0.9
441.33728	2.0
455.31741	1.6
456.31464	1.2
457.32077	3.0
459.34683	1.5
485.32605	7.4
486.33032	1.2
501.32043	3.4
502.32590	4.5
503.33688	93.0
504.34058	17.5
509.89197	0.9
528.16345	1.8
545.34760	1.2
563.19849	1.0
665.38721	3.2
707.23309	2.0
725.23553	6.0
726.23999	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	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06951	0.2
59.01378	35.8
60.01716	0.4
61.98838	0.4
63.04800	0.2
69.99272	0.4
69.99660	0.4
71.01385	0.9
71.05028	0.4
85.02958	0.2
87.64404	0.2
89.02437	0.5
101.02431	0.8
104.85345	0.2
113.02414	0.5
190.43996	0.2
191.05646	0.7
257.61673	0.2
277.97757	0.2
387.29373	0.2
419.29410	0.4
421.31177	0.4
439.32169	0.4
441.33804	0.5
443.31442	0.7
444.31787	0.2
459.34866	1.4
485.32693	9.5
486.32877	1.5
503.33749	100.0
504.34119	17.5
504.39722	0.3
504.41919	0.4
545.34515	1.0
546.35040	0.3
665.39001	3.9
666.39594	1.1
725.40875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99028	0.2
57.03435	0.2
58.30571	0.2
59.01376	27.8
60.01728	0.3
60.41280	0.2
61.98833	1.0
71.01065	0.2
71.01382	1.2
71.53512	0.3
73.02969	0.2
85.02963	0.8
87.00865	0.4
89.02449	0.9
93.03474	0.8
95.01387	0.3
96.96009	0.3
101.02441	1.1
113.02452	0.8
115.00371	0.2
119.03518	0.5
135.04498	0.9
142.54459	0.2
151.04039	0.3
161.04565	0.3
167.18771	0.2
169.01399	0.4
173.04619	0.2
175.02449	0.3
175.07312	0.2
176.15657	0.2
179.05629	0.2
188.71455	0.2
191.05589	5.2
191.07162	0.4
192.06001	0.4
221.06633	0.2
282.52936	0.3
351.94681	0.2
437.30621	0.7
439.32285	0.6
457.32907	0.3
459.34634	1.2
465.13843	0.2
501.32181	0.5
503.33737	100.0
504.34094	17.6
517.35248	0.3
545.34692	1.8
546.35223	0.4
665.39008	3.7
666.39447	0.9
725.30096	0.3
725.41119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03593	0.7
56.37304	0.7
57.03456	1.6
59.01378	9.2
60.53201	0.8
61.98818	3.1
71.01375	4.3
73.02943	1.6
85.02943	1.5
87.00842	0.8
89.02437	2.6
95.05040	1.9
97.06597	8.2
101.02431	4.4
103.92006	0.7
112.74960	0.8
113.02460	2.1
125.09720	1.2
130.42212	0.8
141.10995	0.7
145.05099	0.9
145.75363	0.7
151.11285	16.9
152.11687	0.7
161.04549	1.0
169.12337	50.7
170.12659	2.8
191.05603	2.7
195.10228	3.0
195.13896	6.6
209.11798	1.7
213.11320	7.3
223.13409	4.4
235.08182	1.1
253.09308	4.5
275.20068	3.6
293.21198	28.1
294.21494	2.4
431.19211	2.6
449.20108	3.7
725.41162	100.0
726.41437	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25449	0.3
59.01378	28.1
60.01693	0.3
61.98825	1.6
68.69839	0.2
69.39803	1.7
71.01369	0.8
71.05034	0.6
85.02950	0.3
89.02429	0.6
93.03450	0.3
98.19990	0.4
101.02422	0.7
113.02410	0.3
119.03477	0.5
125.02406	0.3
142.32607	0.2
143.60635	0.2
151.04054	0.3
191.05617	3.0
200.73615	0.3
216.71582	0.3
224.77844	0.2
327.21793	0.7
353.23981	0.2
357.64893	0.3
387.28882	0.3
421.31305	0.6
423.29166	0.3
435.29489	0.3
443.31635	0.7
453.30051	2.3
454.30325	0.4
459.34534	0.5
471.31174	0.4
485.32690	7.3
486.33115	1.2
503.33752	100.0
504.34134	17.6
523.04120	0.3
545.34698	0.6
665.38977	1.1
725.41376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01377	13.7
59.52973	0.4
61.98840	2.1
66.21225	0.5
69.03457	2.9
71.01372	3.2
71.05008	0.8
73.02959	0.7
82.99966	0.4
85.02947	0.7
85.06589	0.7
87.00851	0.6
87.99893	0.4
89.02448	2.1
93.03436	0.5
98.19856	0.9
101.02429	3.1
106.93158	0.4
109.06571	0.5
111.08151	1.9
113.02454	1.3
118.57938	0.4
119.03448	0.5
120.10733	0.4
125.09704	0.5
149.09708	0.5
153.12865	0.7
161.04543	1.4
167.10759	2.5
169.12253	2.9
177.12798	0.5
179.10764	1.6
179.14386	3.2
191.05630	0.5
195.13899	9.8
196.14296	0.7
197.11824	45.2
198.12155	2.5
199.13319	0.6
204.56905	0.5
205.12325	9.1
206.12648	0.7
209.11745	0.5
211.13387	0.8
213.11281	0.6
223.13382	100.0
224.13690	7.9
227.12880	0.6
229.11873	0.6
230.64323	0.4
235.08176	3.5
253.09276	8.2
263.20300	0.6
291.19690	4.2
292.19833	0.5
293.21237	0.5
309.20697	11.2
310.21051	0.9
322.04050	0.4
411.11270	0.5
411.25525	0.7
429.26178	0.8
433.20602	1.7
441.21225	2.0
459.22342	15.6
460.22836	2.0
539.59467	0.5
647.34528	1.7
665.35620	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	725.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56447	6.7
59.01371	29.5
60.99301	6.5
61.98831	76.7
67.77946	6.1
70.89954	9.2
70.90282	7.6
71.01388	11.9
72.99312	22.9
78.95901	16.6
83.04996	9.2
88.98820	47.3
89.02508	6.5
93.03474	7.9
93.47953	5.5
96.95975	7.8
115.05266	6.4
128.80510	5.9
173.04475	8.1
190.74745	6.3
191.05510	30.0
197.11870	14.9
207.10245	14.2
209.11830	100.0
210.12274	7.3
211.13414	92.9
213.38019	6.6
225.11342	13.4
227.12871	19.9
253.09346	9.3
445.20468	12.3
447.22690	10.3
655.34100	9.5
725.34772	38.0
726.35657	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	725.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62860	3.5
56.78280	3.6
59.01369	11.8
61.98822	22.3
62.55745	3.6
71.01385	7.4
71.10468	7.9
71.10809	4.7
93.03455	4.3
109.06559	5.2
163.11311	5.8
191.05672	9.8
196.90709	4.1
207.10237	8.2
209.11810	79.2
210.12035	4.5
211.13377	100.0
212.13727	7.2
216.80080	4.0
217.85756	3.9
225.11266	8.7
227.12845	23.9
230.42976	3.9
235.08258	8.5
253.09319	7.7
447.22263	21.0
532.58221	4.4
626.81458	4.9
639.33539	5.6
650.73523	4.8
725.35132	33.8
726.35034	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	725.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.1
69.44749	11.0
71.01379	1.4
75.65738	1.3
85.02930	7.5
87.00874	1.4
87.04633	1.2
93.03448	5.9
98.20815	2.3
110.15005	1.4
171.91841	1.4
173.04544	1.7
191.05602	100.0
192.05954	5.4
257.04492	1.6
337.09244	18.3
338.09421	1.9
533.12878	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	725.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70126	1.3
59.06125	1.2
60.99297	1.3
66.48287	1.3
67.01892	6.9
69.48869	1.2
71.01379	2.8
71.04480	2.9
77.03985	2.4
85.02951	2.2
87.00886	8.4
89.03970	1.6
93.03459	27.5
95.05043	6.7
95.05572	1.2
105.03460	17.5
109.02946	6.6
111.04543	3.9
123.04549	2.1
133.02954	100.0
134.03297	5.2
135.04539	11.4
150.03244	2.2
151.04051	1.6
173.04529	26.2
177.01927	37.6
178.02127	1.4
179.03494	3.4
191.05595	21.6
192.05942	1.4
212.99203	1.2
215.03708	2.5
215.05600	25.8
246.41570	1.2
284.88953	1.3
307.08118	2.9
311.31723	1.3
351.07181	61.3
352.07626	4.5
533.12769	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	725.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.48413	0.4
60.99293	0.6
67.01862	1.4
69.03436	0.9
71.01384	1.6
71.52390	0.8
76.65004	0.5
81.03461	0.7
83.05020	0.6
85.02943	7.2
87.00872	3.8
93.03452	12.7
94.03776	1.2
96.96011	1.1
109.02944	1.7
111.04523	3.4
113.02415	0.6
121.02960	0.6
123.04499	1.3
127.04002	1.4
133.02928	2.6
134.03494	0.5
135.04520	20.5
137.02448	1.6
149.06078	0.4
151.03951	0.8
153.05603	0.8
155.03456	1.0
161.02414	2.1
171.02968	0.6
173.03119	1.0
173.04530	12.8
174.04898	1.3
177.01938	0.9
179.03528	2.3
191.05597	100.0
192.05963	7.7
193.06029	3.1
195.02892	0.6
197.04585	1.9
221.04506	0.6
272.41040	0.5
281.04517	0.6
318.67258	0.5
330.12466	0.4
340.39828	0.5
341.08667	1.1
351.07300	0.6
353.08722	6.5
354.09061	0.9
369.08124	0.7
370.08313	0.5
371.09766	46.7
372.10120	4.5
502.27127	0.5
533.12671	1.2
587.16815	0.5
587.26770	0.6
725.19257	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	725.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90013	0.9
56.06859	0.8
59.01377	1.1
59.93132	0.9
67.01890	1.7
69.91975	4.6
69.92353	0.8
79.28960	0.9
85.02945	4.9
87.00862	2.9
93.03449	11.0
111.04531	1.5
123.04497	1.1
127.03980	1.8
131.67287	0.9
133.03006	1.3
135.04526	11.5
152.19724	0.9
160.32640	1.0
161.02390	2.9
173.04521	11.9
191.05602	100.0
192.05971	5.6
193.05984	1.1
253.87001	0.9
341.08762	1.9
353.08786	7.3
371.09766	50.3
372.10187	4.3
705.88318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11368	0.1
55.01871	0.2
59.01373	3.2
70.84698	0.2
70.85028	0.2
71.01374	2.6
73.02943	0.5
80.02671	1.1
81.03478	0.9
83.01381	0.3
83.05025	4.3
84.02164	0.8
85.02937	0.6
87.00885	0.3
89.02441	2.0
89.81065	0.1
93.03451	0.1
95.01387	0.3
95.05022	0.7
97.02922	0.2
99.00878	0.1
101.02431	2.0
109.06595	0.2
111.08155	0.2
113.02472	1.0
119.03493	0.4
125.06100	0.5
125.09676	0.1
127.07647	0.2
135.08163	0.5
145.05055	0.2
147.11778	0.2
161.04520	0.7
163.11287	3.6
164.11574	0.2
165.12834	2.3
166.13252	0.1
179.05547	0.4
181.12338	0.6
191.10794	1.0
209.11809	100.0
210.10103	0.2
210.12138	6.6
227.12866	10.2
228.13188	0.8
233.22803	0.2
235.08217	1.2
253.09265	7.6
254.09648	0.4
259.20743	0.2
277.21695	48.3
278.22046	4.9
445.20767	0.7
446.21494	0.1
463.21255	0.3
580.99164	0.1
724.46155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
58.84623	0.3
59.01376	4.1
70.84855	0.7
71.01378	3.4
73.02937	0.8
77.46130	0.3
80.02670	1.1
81.03449	1.2
83.01385	0.6
83.05031	3.2
84.02162	0.5
85.02946	1.2
87.00865	1.1
89.02421	2.0
95.05070	0.4
97.02917	0.5
99.00880	0.3
101.02440	3.4
113.02445	1.3
116.93494	0.3
119.03526	0.5
122.03150	0.3
135.08177	0.6
144.31232	0.3
145.05060	0.9
156.44513	0.3
161.04570	1.3
163.11287	2.9
165.12859	1.6
173.00729	0.3
179.05539	0.4
181.12363	0.4
191.10669	0.6
209.11812	75.6
210.12138	4.6
227.12885	7.6
228.13248	0.5
233.22768	0.6
235.08221	5.2
253.09285	8.6
254.09377	0.5
259.20596	0.4
263.96628	0.3
277.21701	100.0
278.22061	9.9
284.83563	0.3
294.25143	0.3
309.35168	0.3
335.66901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.98819	1.2
68.92959	0.9
69.47365	2.7
69.47793	4.0
71.01379	1.3
78.95901	54.2
80.02691	1.7
81.03441	1.3
83.05019	4.2
84.02181	1.1
95.74224	0.9
96.74323	0.9
96.96989	3.9
115.48223	0.8
134.98514	1.1
135.08081	0.9
152.99576	60.3
155.10794	1.0
163.11261	6.4
165.12823	3.5
171.00630	5.9
181.12378	1.0
191.10797	1.6
195.10379	0.9
195.13914	1.1
202.27762	0.8
207.10211	1.4
209.11813	100.0
210.12155	9.1
223.09662	1.0
223.13474	0.9
227.03291	6.1
227.12866	11.2
241.10754	1.4
245.04257	1.0
253.21704	19.8
254.22025	1.5
277.21817	1.8
293.21176	7.3
363.12039	2.5
395.14908	1.9
429.20398	7.7
437.15839	5.4
447.21414	2.3
455.16895	8.6
469.14743	3.4
487.19482	70.0
488.19736	9.0
669.02930	0.9
691.38141	6.2
692.38483	1.3
705.36292	4.5
723.41003	60.1
724.41315	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	723.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.9
70.82907	1.5
78.95901	28.5
79.87015	0.5
80.02682	1.8
81.03454	0.6
83.05016	5.9
84.02229	0.5
95.05013	1.1
96.96970	1.9
125.06109	0.9
135.08118	0.6
136.01596	0.5
152.99573	41.8
153.99883	0.9
163.11270	3.6
165.12856	3.3
171.00644	4.3
181.12349	1.0
183.21564	0.5
189.16826	0.5
191.10764	1.4
209.11818	100.0
210.12160	5.3
227.03340	3.3
227.12854	8.8
245.04318	1.4
253.21722	16.2
254.22005	1.5
255.23294	1.2
293.21487	0.6
332.77444	0.5
363.12128	2.7
381.13324	0.6
395.14706	1.0
437.16010	2.7
455.16809	7.2
456.16779	0.8
469.18298	1.0
487.19473	63.8
488.19943	6.4
691.38184	5.3
692.38556	1.3
723.40826	46.7
724.41229	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.67603	0.3
57.03452	0.3
59.01377	8.6
63.42967	0.4
65.83495	0.3
69.03466	0.4
71.01377	4.6
73.02943	1.4
80.02659	0.5
81.03448	1.3
83.01377	1.0
83.05010	1.5
85.02941	1.9
87.00867	1.6
88.84652	0.4
89.02451	2.2
93.03448	0.5
95.05054	0.4
95.43705	0.3
97.02948	5.3
98.20691	0.8
99.00881	1.3
101.02439	5.1
103.82168	0.4
108.72522	0.4
109.06589	16.3
110.03722	1.1
110.06976	0.5
111.00894	0.4
113.02457	2.1
119.03490	0.9
121.06557	0.9
123.04498	0.4
133.05054	0.6
135.08147	1.7
136.05327	0.9
142.02690	1.2
145.05006	1.1
161.04541	1.2
161.09731	1.2
163.11288	9.8
163.12602	0.3
164.11676	0.5
179.05647	0.5
181.12296	1.6
189.09233	2.1
207.10242	51.8
208.10594	3.5
209.11839	1.2
225.11302	16.5
226.11647	0.9
231.11954	0.4
235.08195	4.8
236.08617	0.5
243.12454	0.6
253.09247	10.9
254.09639	0.5
259.20395	0.5
277.21698	100.0
278.22034	9.0
299.14920	0.6
422.89923	0.4
441.33911	0.4
443.19131	2.9
461.20334	4.4
462.20062	0.4
703.40515	0.6
721.41663	22.3
722.42010	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	723.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27870	0.6
55.68821	0.6
57.03496	0.8
59.01377	4.4
59.14494	0.6
60.99286	2.4
67.01886	8.4
69.03440	1.9
71.01381	4.7
71.53333	1.2
81.03435	1.9
83.05013	1.2
85.02945	11.1
87.00876	9.8
93.03454	55.6
94.03811	1.5
96.96011	9.0
99.04468	1.8
101.02403	1.1
105.03456	2.0
105.66865	0.7
107.18159	0.8
109.02934	4.3
111.04531	7.9
113.02433	2.9
125.02422	1.1
127.03985	2.9
132.02161	6.2
133.02956	16.3
134.03691	2.4
135.04524	16.0
137.02449	2.6
151.04057	0.8
155.03456	1.4
160.01651	16.2
161.02425	6.1
169.01398	1.0
171.03035	1.4
173.04539	23.8
174.04852	1.0
177.01909	5.6
178.02686	2.7
179.03484	7.5
185.02464	1.2
191.05600	100.0
192.05949	3.3
193.04987	5.6
205.65663	0.9
207.05009	1.4
215.05573	7.1
220.03838	1.7
252.65712	0.7
351.07150	18.2
352.07944	2.1
367.10236	8.2
369.09732	7.8
411.10626	5.6
441.11798	1.0
506.88211	0.8
531.15137	13.9
532.15027	1.7
543.15045	22.1
544.15436	2.6
549.15924	0.8
641.40741	0.8
723.21423	33.5
724.21747	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	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01369	6.8
61.98826	17.7
62.07653	0.8
69.61440	6.2
71.01385	7.7
71.05015	3.4
73.02965	1.1
78.95905	2.3
79.95763	1.9
80.02657	1.5
80.96505	6.4
81.03467	1.8
83.01360	0.9
83.05025	4.9
84.23738	0.9
85.02950	3.3
87.00863	2.7
89.02446	3.6
93.03453	3.7
94.98071	1.0
95.05000	1.3
96.95997	2.3
97.02950	4.0
97.06573	2.0
99.00871	15.7
100.02559	0.9
101.02426	4.0
103.91906	0.9
109.06573	1.2
113.02438	2.7
116.92892	1.2
123.00865	0.9
123.08161	1.2
123.23719	0.9
125.02462	1.1
125.09730	6.1
135.04555	2.8
161.04579	1.2
163.03958	1.0
163.11284	12.6
165.12843	1.7
169.01414	2.6
171.10240	8.8
181.12347	17.1
191.05615	15.4
192.05960	2.9
197.11783	1.7
199.13377	10.3
207.08353	1.7
207.10248	25.1
209.11806	45.3
210.12160	3.9
225.00731	1.4
225.11298	38.0
226.11642	3.1
227.12874	2.8
243.12337	19.3
253.09210	2.1
286.36316	1.0
461.20193	3.4
479.21338	7.8
480.21271	1.4
671.32678	4.2
689.33844	100.0
690.34412	18.5
721.30560	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03440	0.5
57.42909	0.5
59.01378	13.9
62.52071	0.5
69.03468	0.6
69.86742	1.4
69.87145	1.0
71.01379	5.6
73.02945	1.6
80.02686	1.3
81.03457	2.9
81.07116	0.5
83.01435	0.7
83.05013	2.8
85.02947	2.0
87.00876	1.4
89.02426	4.0
93.03446	0.7
95.01394	0.9
95.05025	0.5
97.02943	5.8
97.06593	0.5
99.00866	1.3
101.02439	5.2
106.04232	0.5
107.05035	1.1
109.06586	38.3
109.65507	0.4
110.03725	1.6
110.06938	1.6
111.00879	0.5
113.02425	2.4
119.03534	0.8
121.06604	1.9
135.08145	4.2
136.05278	1.7
142.02695	1.4
145.05031	0.5
145.10210	0.6
159.02998	0.8
161.04538	1.4
161.09727	2.0
163.11285	19.7
164.11621	1.3
175.83441	0.5
179.05540	0.6
179.10730	0.9
181.12340	3.7
189.09189	3.8
207.10245	100.0
208.10587	6.8
209.11832	1.2
225.11307	35.4
226.11684	1.9
235.08250	3.2
236.92760	0.5
243.12553	0.8
253.09268	12.9
254.09549	0.8
277.21707	74.6
278.22064	8.1
281.13968	0.7
299.15106	1.7
441.33713	1.7
443.19189	4.6
444.19193	0.6
461.20233	12.4
462.20551	1.6
467.31473	1.0
485.32730	1.2
703.41254	0.8
721.41663	33.4
722.41754	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	721.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	10.2
61.98825	13.1
69.71500	2.0
70.96901	3.7
71.01379	100.0
79.30704	1.6
80.96532	2.4
81.03452	3.6
83.05025	7.0
85.02976	2.8
87.00879	2.7
89.02434	3.0
93.03466	3.6
95.04946	1.8
97.02915	2.9
99.00858	2.3
101.02447	5.2
109.06615	12.3
113.02448	3.3
125.09690	2.1
135.04538	2.6
163.11307	14.6
165.12839	2.6
171.10266	21.8
181.12354	6.2
189.09131	2.5
191.05597	8.2
199.13437	4.1
201.11340	7.9
207.10272	30.5
208.10625	2.4
209.11824	95.8
210.12199	2.8
213.14995	3.2
225.11327	34.1
227.12851	10.4
235.08220	2.9
243.12302	2.8
253.09271	7.7
322.64343	1.9
461.20325	6.7
653.31226	2.2
671.32416	3.8
689.33740	8.2
721.35956	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	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.3
57.03444	1.2
59.01382	7.5
61.98832	15.9
63.66221	1.1
69.03439	1.3
69.23061	6.2
69.23485	3.7
71.01379	57.4
71.05040	1.1
72.99307	1.3
73.02949	2.1
75.00893	1.0
78.95930	2.2
79.95737	1.5
80.02697	2.5
80.96519	7.7
81.03454	2.6
83.05025	7.2
84.02165	1.7
85.02955	3.5
87.00902	2.0
88.98730	1.1
89.02446	3.5
93.03481	1.8
94.98100	1.7
95.01356	1.2
95.05064	1.9
97.02950	3.3
99.00877	2.3
101.02439	4.5
109.06586	6.3
113.02455	2.0
125.02451	1.8
125.09739	3.2
135.08139	2.1
152.99553	1.4
161.04532	1.4
161.09796	1.1
163.11285	11.3
165.12839	3.0
171.10258	15.8
173.04428	1.4
179.03482	1.2
181.12352	6.3
191.05641	10.8
191.10759	1.6
197.11859	2.3
199.13358	3.4
201.11284	6.1
207.10239	23.6
208.10760	1.1
209.11813	100.0
210.12164	8.8
225.00760	2.3
225.11298	24.5
226.11659	1.4
227.12840	12.1
235.08231	2.6
243.12360	4.4
253.09268	9.1
273.17053	4.5
274.17432	2.8
275.17627	2.1
387.43854	1.1
397.89835	1.3
399.21780	1.8
417.22742	2.0
461.20551	5.0
627.31757	1.1
653.31696	2.6
671.32672	4.8
672.33838	1.5
689.33838	7.6
690.34521	1.3
721.35840	9.7
722.36945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01377	2.9
61.98825	6.5
67.01913	0.4
69.19676	0.3
71.01383	2.5
80.02685	0.8
80.96517	0.5
81.03470	1.7
83.01382	2.4
83.05021	5.0
84.02169	1.3
85.02949	1.3
87.00886	0.7
89.02448	2.2
93.03445	0.6
95.01404	0.4
95.05009	0.8
97.02959	0.7
101.02444	3.1
113.02457	1.3
119.03455	0.5
125.09741	2.7
127.11297	0.7
135.08167	0.8
141.09085	0.4
161.04552	1.3
163.11282	3.9
165.12852	3.4
171.10233	1.8
181.12386	0.9
182.13091	0.6
191.05605	1.5
191.10794	2.7
197.15433	0.4
207.10284	0.5
208.16501	0.4
209.11821	100.0
210.12117	5.7
211.13416	0.5
223.13432	0.5
225.11229	0.4
226.11961	0.8
227.12872	10.1
228.13301	0.4
235.08212	3.0
240.14110	0.3
241.14391	0.6
243.16025	0.6
253.09256	11.4
254.09473	0.6
273.17053	83.6
274.17392	4.9
445.20563	1.2
465.28525	1.8
509.25610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14489	0.1
61.98827	100.0
62.98531	0.2
69.72887	0.3
69.73295	0.4
80.96515	0.1
85.34728	0.1
98.19907	0.2
100.17212	0.1
110.42816	0.1
180.37347	0.1
191.05678	0.2
197.24664	0.1
205.28246	0.1
209.11996	0.1
211.13350	0.2
317.27652	0.1
339.35815	0.1
524.80768	0.1
713.20532	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	721.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61421	0.9
52.73607	0.8
53.39881	0.9
59.01360	2.1
60.45546	0.8
61.64359	1.0
61.98830	41.4
63.96256	1.1
63.99269	0.9
67.01888	1.0
68.56361	0.8
69.03436	1.2
69.28415	7.0
71.01379	11.5
72.99293	0.9
73.02959	2.6
78.95896	3.8
78.98596	6.6
79.95741	16.6
80.96517	85.3
81.03436	1.6
81.11370	0.8
85.02946	4.8
87.00869	5.0
89.02454	1.1
93.03460	2.9
94.98083	21.6
96.96011	2.9
97.02955	1.5
101.02440	3.8
106.98058	4.2
109.06586	1.1
111.04488	0.8
113.02457	1.0
119.04993	1.1
122.97587	4.4
125.02442	4.2
127.04010	1.7
127.36982	0.8
133.00574	0.8
134.97563	5.1
135.04520	1.3
136.99142	2.5
148.99132	7.7
152.98633	7.0
155.03494	1.0
160.41260	0.9
161.02402	1.1
164.98640	12.4
171.10225	2.2
171.35513	0.8
173.04509	2.9
173.68079	0.8
177.56700	0.8
179.03563	0.9
183.13937	0.9
191.05611	27.0
192.05988	1.2
197.11775	1.4
206.99641	3.5
207.10201	1.2
209.11823	6.6
211.13348	2.3
224.99055	1.0
225.00726	23.3
225.11412	1.3
226.01039	1.4
227.12672	1.3
390.53363	1.0
433.05548	1.6
493.17166	2.9
509.16992	2.5
568.03094	1.1
689.33466	1.0
721.31024	100.0
722.18567	1.4
722.31274	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	719.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.4
61.98827	100.0
69.03457	0.7
69.16851	6.5
71.01381	12.4
71.05032	0.6
73.02938	1.3
78.95904	1.5
79.95744	1.2
80.96533	3.1
81.03484	1.6
83.01377	1.0
83.05039	4.1
84.02193	1.0
85.02949	1.8
87.00902	1.8
89.02448	2.5
93.03436	1.0
97.02956	1.6
99.00891	0.9
101.02448	2.2
109.02905	0.7
109.06584	5.1
111.04534	2.3
113.02439	1.7
114.06457	0.6
115.01030	0.6
125.02448	0.8
125.06116	0.6
125.09731	1.7
135.04533	0.7
135.08186	1.9
143.03508	0.7
145.05052	0.7
161.04529	1.3
161.09677	1.4
163.00920	0.7
163.11310	5.3
165.12863	2.0
169.12355	1.7
171.10269	6.0
173.04546	0.7
176.27823	0.6
179.10822	2.0
181.12401	1.5
185.11847	1.2
191.05637	3.5
191.10893	0.7
192.57397	0.7
195.10260	0.6
197.11975	1.3
199.13393	1.5
205.08711	4.5
207.10234	10.0
209.11809	59.4
210.12120	4.7
211.13467	1.1
213.11406	0.8
223.09706	7.5
223.11540	0.7
225.00768	1.1
225.11322	7.7
227.12862	6.3
235.08244	1.8
239.12721	0.6
241.14503	1.0
243.12434	0.8
253.09332	6.2
273.17050	32.2
274.17456	2.2
309.33673	0.7
364.37576	0.6
415.21487	0.7
445.20752	0.9
459.18701	1.7
461.20419	0.9
520.71692	0.7
651.30334	1.7
669.31323	2.5
687.32605	3.0
719.30408	2.7
720.30286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38283	1.0
51.30593	0.9
51.64555	0.8
52.88052	0.7
57.03434	1.2
59.01365	7.0
61.98827	10.0
64.14378	0.9
69.03451	3.6
71.01379	6.3
71.05018	2.3
73.02972	0.9
80.02641	1.4
80.96518	1.1
81.03465	1.5
83.01379	1.3
83.05019	5.1
84.02136	1.6
85.02970	1.8
87.00888	1.3
89.02434	3.7
95.05029	1.9
101.02448	4.1
107.69930	0.9
112.93168	1.0
113.02429	2.0
125.09708	3.5
151.11302	4.1
153.12807	1.6
161.09702	3.7
163.11278	5.8
165.12831	2.7
171.46547	1.0
179.10753	8.3
191.05638	3.9
197.11821	87.2
198.12091	5.4
209.11816	55.5
210.12166	3.8
227.12860	3.8
229.17273	1.1
241.10799	6.2
253.09261	3.6
274.36972	0.9
304.15958	0.9
354.97757	0.9
477.19730	2.9
687.32288	100.0
688.32587	19.1
719.35126	24.3
720.35083	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	719.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10680	1.1
59.01382	11.5
61.98829	91.7
68.99814	1.9
69.03457	1.6
71.01383	37.2
71.05025	1.4
71.53669	2.0
72.20062	1.3
72.99298	2.1
73.02947	2.6
75.00878	11.8
78.95889	1.3
80.96501	3.7
81.03462	3.0
83.01363	1.5
83.05009	7.6
84.02145	2.0
85.02943	3.4
87.00882	3.8
89.02457	4.6
93.03477	2.8
95.05043	3.0
96.95980	1.2
97.02946	4.9
97.06558	1.9
99.00858	4.4
101.02448	8.2
105.07117	1.4
107.05008	1.2
109.06579	14.2
110.03767	2.0
111.04531	7.1
113.02445	2.8
118.63948	1.3
123.08109	1.2
124.24020	1.4
125.02433	2.0
125.06067	1.7
125.09673	4.3
135.04521	1.8
135.08141	4.2
143.61949	1.3
147.99168	1.3
160.46449	1.5
161.04585	3.2
161.09697	4.5
163.11287	13.7
164.98637	1.6
165.12726	2.2
168.26466	1.3
169.12331	1.8
171.10281	21.7
172.10597	1.9
177.09207	2.6
179.10760	4.3
181.12323	6.7
181.81898	1.3
185.11818	3.1
191.05562	9.6
195.10181	1.9
197.11823	6.3
199.13452	4.2
203.95299	1.5
205.08676	16.0
206.08963	1.6
207.10243	33.2
209.11829	100.0
210.12155	5.7
211.13333	1.7
213.11285	3.6
223.09723	27.3
224.10094	2.1
225.00896	1.4
225.11314	23.1
227.12918	12.4
235.08217	5.4
241.10793	1.4
243.12340	2.3
253.09271	10.2
273.17068	43.4
273.20035	3.0
274.17435	4.5
299.01791	1.5
415.21234	1.8
459.18729	5.9
461.20294	4.3
487.34448	1.4
532.81372	1.4
651.30182	4.2
655.01141	1.5
659.32465	1.9
669.31134	8.0
687.32452	8.7
688.33649	1.6
719.35687	7.7
720.34460	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	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14429	5.1
70.37934	14.9
71.01350	10.9
74.34081	5.3
79.04469	4.6
83.56627	4.5
88.21649	5.1
89.02445	10.8
96.95981	4.6
114.45727	5.0
191.05496	5.1
312.47131	4.7
341.10837	20.3
356.68994	4.9
377.08569	100.0
727.77350	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	719.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
61.98838	6.7
69.03467	1.5
69.39211	0.9
71.01381	9.3
73.02975	1.9
78.95916	1.3
79.95742	1.4
80.02202	0.9
80.02694	2.9
80.28724	0.9
80.96523	5.8
81.03456	2.2
83.01409	1.4
83.05016	10.5
84.02169	1.6
85.02966	6.4
87.00888	2.7
89.02450	5.7
93.03458	1.9
94.98080	1.7
95.05024	1.1
96.96014	2.0
97.02962	1.1
97.06574	1.4
101.02434	8.3
107.01404	2.2
113.02482	4.0
119.03472	1.8
119.05070	1.4
125.02468	4.1
135.04538	1.1
135.08243	1.2
137.02496	1.0
149.11819	1.2
150.52962	1.1
150.56799	1.2
151.00395	3.9
151.11285	3.1
153.12822	1.3
161.04514	2.2
163.03984	2.0
163.11308	6.0
165.12856	3.5
169.01448	3.1
169.12332	43.6
170.12723	1.7
171.10338	1.3
173.04572	1.1
178.99904	3.0
179.05646	1.2
179.10750	1.7
191.05591	29.7
191.10767	1.9
192.05954	3.4
197.10272	1.3
197.11818	92.0
198.12120	5.6
209.11806	100.0
210.12173	4.8
219.84343	1.1
227.12871	10.1
253.09273	6.1
669.55170	1.2
687.32251	91.8
688.32635	18.9
719.35107	72.8
720.35400	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	718.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08661	0.7
53.37284	0.8
54.66533	0.7
57.29128	0.7
59.01392	1.1
60.19878	0.8
61.98824	6.2
70.08876	3.0
78.95900	22.5
80.02679	1.4
80.96538	1.0
81.03456	2.5
83.05021	9.1
84.02141	1.9
87.87201	0.9
88.98793	3.4
95.04995	1.4
96.96960	1.5
99.92567	1.4
115.92048	3.2
122.00101	2.6
135.08170	1.6
140.01205	7.5
145.02921	1.2
152.99649	1.3
163.11298	6.6
165.12802	3.5
181.12279	1.4
182.37410	1.0
191.05661	0.9
191.10793	2.5
196.03764	4.3
199.15155	0.8
209.11815	100.0
210.12169	6.3
227.12878	30.4
228.13211	1.8
259.15521	0.9
279.23276	56.1
280.23639	6.1
282.45264	1.0
325.52612	0.9
402.54803	0.9
424.16583	1.1
438.19003	1.2
456.20251	1.0
458.26672	1.1
462.87509	0.9
476.27576	5.8
521.09198	0.9
686.40393	16.3
687.40900	4.1
695.74524	1.0
718.31989	2.4
718.42969	47.6
719.31085	1.2
719.42743	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	718.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02557	0.1
61.98830	100.0
62.98539	0.2
70.99924	0.3
78.95903	0.2
102.33527	0.1
133.09814	0.1
152.99582	0.2
175.97055	0.1
189.29810	0.1
191.05626	0.2
197.11853	0.2
199.13469	0.2
201.66624	0.1
209.11897	0.2
211.13362	0.8
227.12959	0.4
239.13033	0.2
251.02469	0.1
253.09396	0.2
273.17215	0.6
278.99210	0.1
429.31741	0.1
526.88092	0.1
537.37750	0.1
645.94342	0.1
718.39502	0.3
725.72742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
59.14268	0.2
61.98829	100.0
68.50642	0.2
69.03458	0.3
69.87802	0.8
69.88139	0.1
71.01385	0.6
78.95911	0.3
79.01983	0.1
80.96496	0.4
83.05035	0.4
85.02946	0.3
87.00909	0.3
89.02450	0.3
97.02966	0.4
101.02452	0.4
109.06606	0.9
109.93571	0.2
113.02449	0.3
125.09797	0.2
135.04562	0.2
163.11314	0.8
164.11676	0.2
171.10310	0.3
181.12383	0.2
191.05678	0.7
195.14043	0.2
207.10257	3.1
208.10579	1.5
209.11806	5.6
210.12186	2.2
211.13411	0.8
212.13785	0.2
223.43990	0.2
225.11348	0.8
226.11774	0.2
227.12849	0.8
228.13376	0.2
235.08347	0.3
239.12859	2.0
240.13203	1.2
241.14420	0.2
253.09306	1.1
254.09714	0.4
271.15616	0.7
272.15869	0.4
273.17068	3.0
274.17441	1.4
351.38751	0.2
718.37494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62723	0.1
58.58059	0.1
61.98827	100.0
62.98537	0.2
78.85735	0.1
98.19956	0.3
140.13776	0.1
180.90559	0.1
222.46436	0.1
244.61430	0.1
518.47601	0.1
539.37909	0.1
600.19489	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	718.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98827	100.0
71.01389	0.6
71.52820	0.2
78.95926	0.2
79.95735	0.1
80.96512	0.3
81.03523	0.1
85.02974	0.3
89.02470	0.3
93.03432	0.2
93.25066	0.1
96.96008	0.2
97.02958	0.2
97.06606	0.2
101.02469	0.3
109.06593	0.4
110.85969	0.1
117.41906	0.1
135.04538	0.2
171.10271	2.2
172.10606	0.5
191.05573	0.8
191.10965	0.1
191.58902	0.1
207.10211	1.1
208.10696	0.4
209.11812	1.8
210.12206	0.4
211.13458	0.5
225.11377	0.6
226.11699	0.4
227.12918	0.3
235.08237	0.3
239.12894	0.6
240.13332	0.2
253.09358	0.6
271.15686	0.2
272.16037	0.2
273.16980	1.4
274.17538	0.5
291.19879	0.2
309.20712	0.2
310.20810	0.2
327.21780	0.9
328.22134	0.3
461.20255	0.2
640.34753	0.1
687.32721	0.2
718.37799	0.4
719.28992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28264	0.2
59.01381	2.2
61.98829	100.0
71.01398	0.2
71.52431	0.4
75.00857	0.4
78.95898	0.6
107.94440	0.2
112.00886	0.2
146.77957	0.2
171.10265	0.8
172.10580	0.4
191.05620	0.8
202.16183	0.2
209.11807	0.8
211.13441	0.4
212.13760	0.3
223.13420	0.3
273.09000	0.2
498.02942	0.3
700.69647	0.2
716.37024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98539	0.2
70.31702	0.2
78.95916	0.5
98.19923	0.6
109.27216	0.2
191.05602	0.4
209.11897	0.3
226.87022	0.2
270.77036	0.2
277.21756	0.3
635.45770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62014	0.1
59.01367	0.1
61.98827	100.0
62.98528	0.1
64.22432	0.1
75.24221	0.1
78.95903	0.2
80.91720	0.1
85.53934	0.1
88.77898	0.1
98.19957	0.2
102.32938	0.1
105.74283	0.1
126.04554	0.1
139.24341	0.1
173.91566	0.1
191.05727	0.2
255.23349	0.2
365.59274	0.1
398.13776	0.1
399.14127	0.1
404.25317	0.1
521.91748	0.1
705.09863	0.1
715.47504	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	717.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31405	0.6
55.01875	0.8
57.03456	0.7
59.01377	10.4
61.98829	100.0
69.03469	0.8
69.62075	2.8
71.01382	6.7
71.05008	0.6
72.99327	0.9
73.02955	0.7
75.00906	0.6
78.95896	1.0
80.02676	1.2
81.03466	3.3
83.01394	3.0
83.05024	5.3
84.02186	1.6
85.02947	2.4
87.00872	1.3
89.02423	3.4
93.03458	0.7
95.01392	0.8
95.05032	1.0
97.02947	6.7
97.06634	0.7
98.20655	1.1
99.00892	1.4
101.02433	5.2
106.04229	0.7
109.06590	23.8
110.03770	1.1
110.06950	1.0
111.04563	0.9
113.02449	2.9
116.92881	2.0
119.03538	1.3
121.06605	1.3
123.04495	0.7
123.08144	0.9
125.09712	4.6
127.11302	1.0
135.08192	3.6
136.05295	0.9
142.02715	1.7
147.11832	0.7
151.07697	0.7
161.04509	2.8
161.09724	1.0
163.11281	17.5
164.11580	0.7
165.12851	1.8
171.10240	4.4
179.10715	1.4
181.12328	3.2
189.09242	2.4
191.05576	1.7
191.10753	2.7
207.10246	78.4
208.10565	4.2
209.11813	42.7
210.12206	3.4
211.13391	5.4
221.11810	1.0
223.09772	0.6
223.13498	1.0
225.11305	24.2
226.11897	2.0
227.12845	5.0
235.08206	5.2
239.12880	10.6
240.13205	0.9
241.14465	2.2
243.16017	1.2
253.09268	18.5
254.09631	0.9
271.15598	3.9
273.17050	99.5
274.17410	8.2
299.14899	0.9
349.64017	0.6
437.28647	0.8
443.19092	3.8
455.49399	0.6
461.20392	7.4
462.20859	0.8
463.26846	1.6
481.28082	0.7
509.26056	2.1
699.35608	0.8
717.37146	25.9
718.37341	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	715.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49090	0.5
55.01861	0.7
57.03432	1.4
59.01373	5.0
61.98821	1.6
63.45804	0.5
69.03453	3.3
69.86709	2.4
71.01370	5.0
71.05017	1.2
73.02945	1.5
78.01921	0.6
78.95911	0.9
81.24471	0.5
85.02954	1.2
87.00885	0.7
89.02444	2.5
95.01397	0.8
97.02986	1.1
97.06567	0.6
99.00922	1.1
101.02446	4.3
101.56003	0.5
113.02441	1.7
123.08150	1.2
125.09717	1.9
150.58554	0.6
151.11238	2.7
152.99582	0.6
153.12897	1.1
161.04552	1.3
161.09723	3.8
179.10797	7.3
196.84303	0.6
197.11827	41.2
198.12149	2.3
223.09764	1.5
235.08211	0.7
241.10797	1.8
253.09344	2.8
255.23282	76.5
256.23633	5.1
275.91873	0.5
279.23349	0.7
322.29880	0.5
459.18613	1.0
477.19858	1.1
559.88031	0.6
583.29211	0.6
715.42688	100.0
716.43042	26.0
726.54346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
59.01379	27.0
61.98830	26.4
69.03458	2.2
69.31805	10.7
71.01374	11.3
73.02947	3.0
81.03467	3.6
83.05024	2.7
85.02956	5.2
87.00881	3.5
88.98773	1.7
89.02457	6.1
93.03453	3.5
95.01404	1.7
95.05029	1.4
97.02943	8.8
97.06582	4.4
99.00907	2.1
99.88259	1.4
101.02477	10.4
109.06586	45.5
110.64881	1.8
111.08192	1.7
113.02451	5.6
119.03502	1.6
121.06615	2.4
123.04504	1.4
123.08141	1.7
125.09722	14.3
135.08176	4.6
142.02699	2.6
156.47516	1.4
161.04593	4.4
161.09584	1.6
163.11287	23.5
171.10277	1.6
173.04503	3.0
174.03511	1.7
181.12344	6.3
183.13870	9.6
185.11813	3.4
187.09677	7.0
189.09233	2.7
191.05530	8.5
193.12340	2.6
195.60989	1.5
197.11877	3.3
207.10245	88.0
208.10587	5.9
209.11734	3.7
211.13385	100.0
212.13763	7.7
223.13264	7.7
225.11316	48.5
226.11687	3.5
235.08147	7.1
243.12561	1.3
253.09279	12.6
264.14023	1.5
273.17111	4.1
339.23227	2.4
343.03107	1.7
373.23538	3.5
383.22281	7.4
391.25021	3.1
401.23322	16.8
415.57639	1.9
419.24301	4.9
443.19235	4.9
447.22684	2.2
461.20267	16.9
462.20422	1.5
609.32660	5.3
619.31360	3.1
637.32263	38.6
638.32538	6.9
655.33289	41.6
656.33453	9.3
715.39362	13.6
716.38983	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	715.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.5
61.98829	61.9
62.35034	2.7
69.03461	3.3
71.01381	9.2
72.99294	2.7
76.20197	2.4
78.95899	5.6
81.03448	4.3
83.05014	6.2
85.02940	5.0
87.00877	5.8
89.02445	5.6
93.03452	5.3
97.02945	6.6
98.19956	7.1
101.02445	8.6
109.02950	2.6
109.06582	21.0
113.02446	5.3
119.78632	2.3
120.72812	2.3
125.02466	2.6
125.09726	3.0
135.04588	3.1
135.08127	2.8
145.05133	3.4
161.04576	2.6
163.11258	12.2
171.10269	4.7
173.04518	3.4
179.03448	2.5
181.12447	3.0
183.13885	11.2
185.11893	4.9
191.05611	12.9
207.10251	52.1
208.10576	3.4
209.11835	96.6
210.12117	5.4
211.13397	100.0
211.15404	5.0
212.13776	5.1
223.13342	4.1
225.11293	23.5
226.11827	3.3
227.12845	6.8
229.08408	3.0
235.08229	8.7
253.09233	14.9
301.39633	2.6
339.23013	3.1
345.00055	2.3
383.22284	6.2
391.24835	3.1
401.23300	19.0
419.24271	6.7
447.22296	3.7
461.20203	6.2
609.32928	3.4
637.32080	37.0
638.32709	7.6
645.55280	2.8
655.33289	30.3
656.33118	5.1
715.37866	3.4
716.37683	5.0
723.32220	2.9
729.05548	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	715.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56765	0.5
59.01364	2.4
60.47243	0.5
61.01014	0.7
61.91832	0.5
61.98827	4.4
67.01884	0.6
68.10195	0.5
69.03442	1.2
71.01370	2.0
71.54764	1.1
71.82621	0.5
81.03439	1.7
83.01386	0.8
83.05021	4.0
85.02951	0.9
87.00871	2.3
88.98799	1.4
89.02431	1.7
93.03453	10.6
95.01358	0.7
97.02960	0.6
99.00866	0.7
99.04524	0.6
101.02428	1.0
108.02162	0.8
109.02946	1.8
111.04510	14.3
112.04900	0.6
113.00536	1.0
113.02415	1.0
119.03551	0.6
119.05018	2.0
119.20259	0.5
121.02866	0.9
125.02459	0.9
127.03945	0.6
133.02945	2.3
135.04521	12.4
136.04831	0.8
137.02458	4.4
137.04120	0.7
139.76974	0.5
153.03629	1.2
155.03484	7.6
156.03703	0.6
161.02449	12.0
162.02783	1.3
163.04024	1.1
164.04395	0.8
166.75905	0.5
169.01434	1.2
173.04509	1.8
179.03514	5.3
181.03137	0.5
183.01180	0.6
191.05600	8.0
198.04491	0.7
199.04161	9.5
205.03134	1.3
216.05637	0.5
217.05220	5.8
223.04190	1.1
241.05061	0.6
251.03668	0.7
259.06238	1.5
269.04688	9.4
270.05154	0.5
287.05899	2.6
293.08490	0.6
299.01898	1.3
309.07852	5.8
311.06042	0.7
311.09433	1.8
315.06665	0.8
317.08350	0.9
327.08844	1.4
337.07193	1.6
343.06113	2.9
354.08609	1.2
355.08398	21.6
356.08722	1.9
359.15054	1.2
361.07327	3.0
372.09747	0.8
373.09430	18.0
374.09802	0.7
379.08298	0.8
391.10532	4.1
447.67844	0.5
449.08417	0.9
451.70782	0.6
535.12708	7.3
535.20172	1.0
536.12732	1.0
553.13568	5.9
554.14185	1.5
563.18256	0.6
570.85870	0.7
696.00537	0.5
715.16870	100.0
716.17120	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	715.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	35.3
69.03451	45.8
69.70173	4.8
69.70487	35.9
71.01367	13.5
83.05007	7.1
85.02935	13.4
87.00875	9.9
89.02470	14.4
93.03455	19.7
95.05043	13.9
96.96019	9.6
98.00886	5.1
101.02456	8.2
109.02989	6.4
111.04519	19.5
113.02418	8.6
118.98076	17.0
121.02937	7.5
121.06611	14.2
130.03236	5.5
134.48604	5.5
135.04514	23.9
141.71751	6.5
155.03452	14.8
161.02397	9.3
165.05556	9.9
179.03453	7.5
191.04233	6.0
191.05643	60.4
199.04117	14.9
214.51759	5.7
242.05685	7.9
243.06746	6.8
269.04675	10.3
306.19696	7.5
345.11926	9.9
353.08633	6.7
355.08447	33.4
361.09549	22.6
373.09564	16.6
389.10873	77.5
390.11176	7.0
545.48254	6.4
685.99652	6.3
715.16925	100.0
716.17389	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1688
Annotation	Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
59.01375	1.1
65.03974	0.8
67.25076	0.7
71.00925	1.1
71.01305	1.7
81.03458	2.3
83.05009	3.4
87.00880	2.1
93.03455	10.9
94.42413	0.7
95.01409	1.0
109.02953	1.5
111.04514	16.5
113.00508	1.3
113.02421	1.0
133.02948	2.1
134.03690	1.3
135.04530	9.9
137.02422	4.8
143.71274	0.7
153.03633	1.7
155.03499	7.5
161.02422	12.5
161.03862	1.1
162.02754	1.4
173.04549	1.3
179.03459	3.6
181.03120	0.7
182.68294	0.7
183.00912	1.7
191.05600	1.4
199.04172	11.0
217.05234	5.5
223.04214	0.9
259.06299	1.2
269.04703	13.5
270.04889	0.9
287.05792	2.2
297.04221	1.2
298.04977	1.3
309.07898	7.9
311.09335	1.3
327.08875	2.1
337.07181	1.8
354.08664	2.2
355.04147	1.6
355.08414	28.6
356.08716	2.6
361.07422	1.2
373.04944	1.4
373.09464	17.6
374.09698	1.5
375.45688	0.8
391.10477	4.3
449.09116	1.6
469.12308	0.8
481.46152	0.8
535.12634	10.3
536.13055	1.7
553.13855	9.7
554.14001	1.5
715.16913	100.0
716.17157	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	714.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30096	0.6
58.99103	0.8
61.98829	100.0
71.51127	0.7
78.95914	2.9
137.28722	0.7
152.99646	1.9
255.23318	2.0
313.11588	0.8
474.79620	0.8
513.72681	0.7
651.39685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.0
72.42256	0.9
72.99294	1.9
93.03462	1.5
95.69828	1.2
98.20657	2.7
103.05531	1.6
106.45824	0.9
107.01389	2.4
119.05038	4.9
121.02928	1.1
125.02456	1.4
147.04515	82.5
148.04845	3.5
151.00360	7.1
163.00366	1.4
165.05559	71.3
166.05856	2.9
178.99846	4.0
191.05592	4.7
207.06616	43.1
208.06985	2.6
227.03416	2.0
243.02890	5.6
246.22098	1.1
254.02144	2.1
255.02986	15.4
271.02457	33.9
272.02942	2.5
300.02725	74.5
301.03458	31.7
302.03806	2.2
353.10992	1.2
373.10974	1.1
463.08786	100.0
464.09192	10.9
715.16754	2.6
716.17651	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	715.1686
Annotation	Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
52.99160	0.9
59.01372	4.2
69.03462	1.4
69.29221	7.0
71.01376	2.3
81.03456	6.1
81.05137	0.8
83.05028	5.7
85.02946	2.3
85.40016	1.0
86.88013	0.9
87.00885	2.7
89.02441	1.8
93.03457	15.5
99.04530	1.2
109.02921	1.7
111.04518	22.7
112.04833	1.2
113.00568	1.8
125.02441	8.7
127.03967	1.8
133.02948	2.2
134.03717	3.7
135.04515	23.5
137.02440	3.4
155.03491	17.8
157.84265	0.9
161.02422	8.3
161.04100	1.5
173.04518	2.6
179.03510	9.3
181.02986	1.7
189.01877	1.5
191.05608	12.3
195.06485	1.3
198.04671	1.3
199.04169	15.9
199.32451	0.9
205.03116	1.3
217.05254	3.3
259.06186	2.3
268.05023	1.1
269.04745	14.1
287.05615	1.8
297.04221	2.0
309.07861	6.3
311.05728	1.3
327.08951	1.4
337.07309	2.6
343.06238	1.0
353.08313	1.6
354.08673	1.5
355.08405	33.8
356.08664	3.0
361.07413	4.3
372.09967	1.2
373.09442	26.3
374.09659	2.4
381.10886	1.1
391.10519	8.5
535.12616	10.2
553.05249	1.4
553.13715	26.5
554.14001	3.3
715.16846	100.0
716.17236	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	713.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82871	1.6
58.00587	2.6
59.01375	54.0
66.26600	1.3
69.03122	2.2
69.03456	25.6
69.33791	14.4
71.01376	27.0
72.99278	2.8
73.20710	1.4
82.98551	1.4
83.95718	1.5
85.02925	6.1
87.00839	2.7
89.01873	1.8
89.02438	34.8
93.03435	5.5
95.05013	4.2
96.95982	2.6
98.19928	3.0
101.02438	17.8
111.04464	1.9
113.02446	10.6
115.00375	1.6
119.03477	15.2
120.41998	1.4
121.02914	2.1
121.06589	8.9
123.04536	1.5
130.77101	1.4
130.89757	1.5
135.04527	2.3
139.00223	1.5
163.03906	1.8
165.05515	4.0
173.04517	2.8
179.03432	2.2
179.05615	2.1
191.05595	25.2
195.05090	2.8
209.04520	2.9
277.03485	2.7
323.13452	100.0
324.13785	6.6
345.11880	3.8
354.08621	2.9
389.10883	38.7
390.11087	3.4
521.68994	1.9
714.17249	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	713.2605
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
58.56994	0.6
59.01371	1.8
61.98827	9.8
71.01376	1.1
71.15839	1.4
78.95921	0.8
85.02966	1.1
89.03961	1.9
91.05528	0.9
93.03439	2.7
97.02849	0.7
101.02444	0.9
105.03416	1.3
108.43008	0.6
109.02935	1.0
117.03451	5.3
119.05016	3.4
121.02933	2.8
121.95877	0.6
123.04452	0.8
125.02407	0.7
129.62170	0.7
132.02158	9.9
133.02957	13.5
133.06552	0.6
134.03738	75.8
135.04552	28.8
136.01663	1.0
136.04784	0.9
137.02448	8.7
139.04002	2.3
147.04514	3.5
148.05276	3.0
149.02458	1.0
149.06096	5.7
150.00421	0.6
150.03246	1.0
159.04494	0.9
160.01651	26.1
161.02449	15.0
169.01375	1.1
171.10240	1.7
173.04530	0.9
175.03990	20.2
176.04250	0.7
178.02716	7.4
179.03496	18.5
180.03735	0.8
191.03864	0.9
191.05595	7.1
193.05049	28.5
193.06821	1.4
194.05351	1.7
201.11317	7.5
207.06621	3.8
209.11708	0.8
211.13374	1.3
223.13367	1.7
253.09222	2.5
293.21201	3.3
368.12445	0.9
369.13367	1.5
383.14899	2.7
505.18582	1.9
519.20251	2.3
537.21246	4.0
698.23431	1.2
700.38269	0.7
713.25934	100.0
714.26318	25.2
714.36145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06086	1.3
59.01380	12.1
59.73981	1.4
61.98830	100.0
68.84911	1.3
71.01382	10.2
71.52403	1.3
73.02950	2.0
78.95885	5.2
83.01378	1.7
85.02934	3.6
87.00871	3.6
89.02444	11.9
97.02914	2.2
101.02432	10.8
102.24210	1.4
113.02457	4.8
119.03487	3.5
125.02437	4.1
129.03674	1.3
139.81033	1.5
143.03462	2.1
161.04547	2.7
166.24042	1.2
179.05577	2.5
191.05627	3.7
235.08235	4.5
255.23283	39.8
255.25937	2.3
256.23672	2.5
305.08652	2.0
397.13483	55.7
398.13800	4.7
415.14636	15.7
522.98285	1.4
653.37219	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	713.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14648	0.7
52.31804	0.8
59.01353	0.8
70.46729	1.5
70.47086	1.5
86.42822	0.8
105.49899	0.7
118.62722	0.7
135.04512	1.0
135.88390	0.7
191.05783	1.1
228.48611	0.7
319.94116	0.7
448.36761	0.8
677.49750	4.3
678.50684	1.3
713.47314	100.0
714.47565	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22997	0.1
59.01372	0.9
61.98829	100.0
62.98530	0.2
65.81606	0.1
69.28468	1.0
69.28871	0.3
71.01402	0.3
75.11340	0.2
75.55683	0.2
78.86174	0.1
78.95933	0.2
79.95728	0.2
80.96532	0.5
85.02962	0.4
87.00884	0.2
88.98838	0.2
93.03493	0.9
93.04002	0.2
96.96006	0.4
100.07883	0.2
101.02443	0.2
109.02986	0.3
127.03979	0.2
135.04538	0.5
173.04552	0.4
179.03474	0.3
186.99963	0.2
191.05595	3.4
191.07178	0.3
192.05980	0.2
209.11919	0.4
225.00873	0.1
225.11507	0.2
252.07643	0.2
295.78555	0.2
442.46832	0.2
488.34753	0.6
489.35471	0.7
490.36398	1.9
633.97327	0.2
713.31250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54939	0.1
53.50366	0.1
56.20607	0.1
59.01380	0.6
60.01715	0.1
61.98829	100.0
62.98544	0.2
63.14307	0.1
69.55233	0.5
130.37167	0.1
135.04485	0.1
167.08002	0.1
176.30052	0.1
191.05589	0.2
233.08643	0.1
252.15651	0.1
447.09351	0.1
487.34073	0.2
488.34619	0.8
489.34833	0.8
490.35071	1.0
680.79706	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	712.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07978	0.2
56.41245	0.2
58.47527	0.2
59.01381	1.1
60.26393	0.2
61.98829	100.0
62.98535	0.2
71.01385	0.3
71.53126	0.2
78.95901	0.3
96.96020	0.3
123.50741	0.2
126.87148	0.2
135.04559	0.2
142.64807	0.2
145.72296	0.2
157.87099	0.2
158.23608	0.2
188.31714	0.2
191.05592	1.0
209.11873	0.4
210.12131	0.2
211.13499	0.2
227.12894	0.2
231.21239	0.2
276.80225	0.2
295.20795	0.2
348.50870	0.2
460.69244	0.2
488.34634	0.9
489.35193	0.9
490.34940	1.0
530.36127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.2
60.71231	3.2
61.57258	3.6
61.98826	93.0
65.25304	3.5
67.84942	3.5
68.15784	3.1
69.03448	3.5
71.01388	11.4
71.52747	3.8
72.99313	4.3
78.95909	4.3
79.24009	4.2
83.04996	4.5
85.02941	4.1
88.98771	6.6
89.02454	6.2
93.03443	3.7
94.98038	4.4
101.02412	4.0
116.69962	3.8
136.79694	3.1
139.02965	3.8
146.47510	3.7
181.14799	3.4
191.05598	17.0
197.11815	83.9
207.10139	4.9
209.11803	100.0
210.12148	6.8
211.13403	22.2
212.13603	3.6
225.11105	5.4
227.12865	34.6
229.59001	3.5
235.08279	8.1
253.09198	10.4
260.66568	3.8
425.86093	4.2
433.20847	9.7
445.20563	10.3
447.22934	3.6
625.32391	7.4
657.34290	4.8
711.33478	37.2
712.33850	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	712.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98830	100.0
70.69275	0.3
71.01382	0.4
78.95912	0.5
91.73602	0.3
97.47270	0.3
98.20734	0.6
119.05051	0.4
121.06541	0.4
125.09740	0.9
145.02968	2.9
146.03236	0.3
163.11177	0.4
171.10291	0.6
191.05746	1.1
199.09839	0.4
201.11446	0.7
207.10341	0.5
209.11780	1.6
210.12206	0.4
223.13428	1.0
224.13921	0.4
253.09326	0.4
291.19885	0.4
433.89313	0.4
649.37354	3.0
650.38635	0.6
713.37628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.04429	0.5
71.52510	0.9
72.89845	0.5
78.95905	1.2
88.34814	0.5
113.24642	0.6
133.02954	11.2
135.04544	2.0
137.02361	0.8
161.02437	45.9
162.02802	2.4
171.55725	0.5
179.03444	2.6
191.05605	1.8
199.09842	1.4
209.11971	0.6
237.66533	0.5
263.17001	0.5
293.21332	1.5
294.21506	1.2
295.75186	0.5
312.61938	0.7
335.03757	0.5
339.22345	0.6
649.37402	61.2
650.37775	11.0
713.35370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.12062	0.3
82.40092	0.3
85.92750	0.2
117.60182	0.3
133.82825	0.3
142.84531	0.3
143.01648	0.3
153.09216	0.4
169.08784	0.4
171.10287	0.4
178.10042	0.3
185.11829	0.6
197.11841	0.7
207.10263	0.4
209.11829	3.1
225.11356	0.5
229.75406	0.3
245.19099	0.6
287.16617	0.4
289.18121	1.9
305.17529	4.5
306.18008	0.4
306.95465	0.3
307.19159	3.5
323.18698	1.0
324.18729	0.3
325.20087	1.4
407.76001	0.3
509.38089	0.3
613.38214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98829	100.0
72.59135	0.5
78.95914	1.4
98.20654	1.2
158.68567	0.5
191.05714	1.0
197.11827	0.5
207.10257	0.8
209.11716	2.8
225.11382	0.5
277.18851	0.5
277.21814	2.0
305.17572	6.0
306.18097	0.7
323.18668	1.7
362.96652	0.6
638.39636	0.6
649.14215	0.7
657.67102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98829	100.0
72.59135	0.5
78.95914	1.4
98.20654	1.2
158.68567	0.5
191.05714	1.0
197.11827	0.5
207.10257	0.8
209.11716	2.8
225.11382	0.5
277.18851	0.5
277.21814	2.0
305.17572	6.0
306.18097	0.7
323.18668	1.7
362.96652	0.6
638.39636	0.6
649.14215	0.7
657.67102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22056	0.3
61.98828	100.0
71.53379	0.6
75.98535	0.3
78.95901	0.7
95.10143	0.3
103.62508	0.3
103.88474	0.3
109.43127	0.3
124.16585	0.3
132.31340	0.3
152.99585	0.3
185.11795	0.4
191.05705	0.4
209.11844	0.7
277.21848	0.8
298.25797	0.3
305.17584	0.5
309.89047	0.3
323.18628	0.5
392.85144	0.4
434.26810	0.3
605.77386	0.3
710.40485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
60.99290	0.8
67.01885	2.1
69.03455	0.7
71.01386	1.1
71.53666	0.5
72.42976	0.5
85.02945	4.5
87.00863	4.6
93.03457	18.9
109.02972	0.5
111.04491	3.0
119.05020	4.3
127.03991	1.6
129.01938	0.7
145.02954	1.1
149.96042	0.5
155.03421	0.7
163.03984	5.8
173.04546	4.6
178.56563	0.5
191.05605	100.0
192.05911	3.9
198.85637	0.5
337.09250	25.6
338.09686	2.2
361.59808	0.5
363.48672	0.5
365.79947	0.6
451.50833	0.5
677.74274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01376	1.5
60.99294	0.5
61.98813	0.7
66.05151	0.2
67.01902	1.3
69.03456	0.5
71.01376	1.3
71.55011	0.3
73.02969	0.3
81.03454	0.5
83.05011	0.6
85.02947	10.4
87.00871	3.1
87.46053	0.2
89.02461	0.2
93.03456	9.7
96.96011	0.6
99.00858	0.3
99.04517	0.6
101.02450	0.2
109.02930	1.6
111.04511	1.9
116.92856	0.5
121.02935	0.3
125.02394	0.4
127.04019	2.5
129.01915	0.2
135.04530	3.2
136.01643	0.3
137.02444	3.6
138.21414	0.2
147.04544	0.3
155.03461	0.6
159.04500	0.3
161.02461	0.8
161.06075	0.4
171.02985	0.7
173.04564	3.1
175.02466	0.2
179.03522	0.4
191.05603	100.0
192.05936	4.0
331.06454	0.2
353.08743	0.4
442.14359	0.5
445.16583	0.7
457.16510	1.5
489.15521	0.5
489.32202	1.1
501.15216	0.5
519.16663	0.8
520.17029	0.3
573.19275	0.3
663.20959	0.8
664.21936	0.4
693.21863	7.8
694.21906	2.1
711.22797	5.1
711.35333	0.4
712.23590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.00586	1.2
59.01386	7.6
61.98837	6.1
64.00747	0.6
69.18477	0.6
71.01379	5.9
73.02953	1.6
78.95901	13.5
81.03471	0.7
83.01385	0.8
83.05042	2.3
85.02976	1.5
85.24319	0.6
87.00896	0.7
89.02441	5.3
95.05042	1.3
96.96960	0.9
97.06561	3.1
101.02446	5.0
113.02461	2.4
118.97673	0.6
119.03536	1.0
125.09683	0.8
127.11221	0.9
133.05115	0.7
141.86032	0.6
151.11276	15.5
152.99582	19.3
161.04506	0.9
163.11320	1.0
168.66510	0.6
169.12340	100.0
170.12691	5.6
171.00641	2.5
171.10225	1.2
174.09558	0.6
195.10327	1.8
201.11327	16.2
202.11517	0.9
209.11838	16.6
210.12187	0.8
213.11339	11.5
214.11485	0.9
223.22444	0.6
227.13020	2.1
235.08142	1.5
253.09337	2.8
253.21617	3.2
274.69290	0.6
274.88208	0.7
277.21704	25.7
278.22021	2.5
287.14560	0.8
381.12970	0.8
411.14047	0.9
431.19275	3.6
449.20163	8.6
450.20721	1.1
455.16769	4.2
473.17896	15.0
474.18512	1.7
691.38275	3.7
709.41296	97.1
710.41583	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89567	0.5
54.44912	0.6
57.03435	2.5
57.85306	0.6
58.05974	0.5
59.01381	5.4
61.98830	7.7
62.35670	0.6
69.03439	0.6
69.37397	3.1
69.37820	1.3
71.01382	5.0
73.02940	1.7
78.95899	10.2
83.01386	1.3
83.05023	2.5
85.02941	2.4
85.28454	0.5
87.00882	1.9
89.02433	1.8
95.05034	1.3
96.96967	0.9
97.02925	0.7
97.06581	9.1
101.02413	4.5
113.02453	2.3
125.09705	1.7
127.11324	1.0
145.05060	1.0
149.09750	0.6
151.11281	20.0
152.11542	0.8
152.99582	14.3
161.04535	1.3
169.12334	50.0
170.12659	3.1
171.00694	1.1
181.12447	0.6
195.10251	4.7
201.11319	14.3
202.11658	0.9
203.65320	0.6
209.11806	17.0
210.12170	1.0
213.11296	6.6
227.03224	0.6
227.12836	1.5
235.08194	2.6
253.09175	3.6
253.21747	1.9
255.23306	1.0
274.26581	0.7
277.21704	57.2
278.22012	5.0
363.11975	0.6
381.13028	1.2
431.19104	3.5
449.20221	4.2
455.16870	2.8
473.17905	12.1
473.24274	1.0
474.18103	1.4
511.18155	0.7
539.97424	0.6
691.37958	1.4
709.41327	100.0
710.41644	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	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.4
59.01378	41.1
60.01704	0.6
61.98830	12.0
63.10806	0.3
71.01392	1.5
73.02925	0.4
76.50707	0.4
78.95896	0.9
82.74298	0.3
85.02901	0.4
88.98832	0.3
89.02435	1.0
93.03461	0.4
96.96009	0.8
99.55572	0.4
101.02436	1.2
103.32497	0.3
113.02437	0.8
119.03486	0.9
135.04530	0.7
155.18196	0.3
158.55540	0.3
161.02385	0.3
161.04509	0.5
171.10197	0.4
173.04405	0.4
179.03400	0.4
191.05600	2.9
209.11787	0.8
210.12274	0.3
221.06827	0.5
253.09389	0.5
393.31909	0.5
407.33261	0.7
423.32629	1.5
425.34433	1.0
427.32318	0.7
439.32407	0.5
457.33142	0.7
467.31302	0.4
469.33221	5.6
470.33524	1.0
486.32788	0.4
487.34253	100.0
488.34583	14.8
529.34979	0.6
649.40118	0.8
709.41895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44516	0.3
59.01377	32.9
60.01713	0.4
69.63346	1.9
71.01381	1.0
72.71436	0.3
89.02436	0.6
95.01411	0.3
100.86255	0.4
101.02431	0.9
113.02452	0.5
119.03503	0.5
175.28679	0.4
191.05605	0.4
332.71103	0.3
392.89023	0.3
409.31323	0.5
421.31076	0.4
487.34262	100.0
488.34619	18.7
529.35077	0.7
649.39502	0.8
709.41418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07559	0.2
51.23564	0.2
51.69459	0.2
52.58103	0.3
59.01377	38.9
60.01718	0.5
61.98824	1.7
71.01389	0.9
78.95915	0.3
85.02953	0.4
89.02436	0.5
95.04156	0.2
97.88442	0.2
101.02435	0.8
113.02435	0.5
119.03484	0.5
126.55125	0.3
155.94003	0.3
161.04587	0.4
191.05602	1.3
203.29291	0.3
209.11794	2.4
227.12877	0.5
275.82800	0.3
409.61633	0.3
421.31287	0.4
485.32663	0.7
487.34247	100.0
488.34601	16.9
529.35498	1.1
649.39459	4.8
650.39630	0.9
665.22119	0.3
709.30884	0.6
709.41943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98827	5.4
63.96216	1.9
65.80903	0.8
69.03492	1.0
71.01383	8.4
71.52544	1.0
72.99304	1.1
73.02945	2.6
74.96314	0.8
78.98579	6.6
79.95734	13.3
80.96516	80.0
83.21331	0.9
85.02943	3.9
87.00867	3.1
88.02634	0.8
94.98088	18.3
96.96030	1.3
97.02929	2.1
101.02433	2.4
106.98094	2.8
122.97575	3.5
125.02460	4.2
134.97607	5.8
134.98492	1.0
136.99141	1.9
148.99164	6.5
152.98630	6.0
164.98628	14.6
171.10281	1.7
205.61757	1.1
206.99654	3.7
211.13416	1.0
225.00766	17.9
226.01163	1.2
228.40117	0.9
229.87213	1.0
255.23228	1.9
304.46759	0.9
312.09421	1.0
316.17941	1.0
327.24243	1.0
362.91937	1.0
409.99457	0.9
453.14185	3.0
537.27551	1.1
709.38348	100.0
710.38696	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	709.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
60.90439	0.5
61.98815	1.0
63.96249	1.2
64.97053	0.4
69.03456	0.7
71.01377	8.7
73.02940	1.7
75.19771	0.5
78.95902	0.9
78.98589	7.7
79.95731	13.2
80.96514	80.7
81.03479	0.9
83.01367	0.7
84.94514	0.5
85.02946	3.0
87.00867	2.8
94.16458	0.4
94.98086	17.9
96.96022	1.2
97.02913	1.0
99.00864	0.7
101.02431	2.7
106.98106	3.0
122.97573	4.4
125.02437	3.7
127.03972	1.1
134.97580	6.0
136.99115	1.4
148.99126	6.6
152.98613	7.8
164.98611	12.5
171.10271	2.1
192.94872	0.5
206.99625	2.5
225.00723	19.3
255.23326	1.7
256.69730	0.5
279.23123	0.5
382.25443	0.5
453.14142	3.6
454.14304	0.6
490.06970	0.6
537.27631	1.0
628.69391	0.5
709.38330	100.0
710.38666	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	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
58.00593	0.3
59.01378	4.9
59.85938	0.3
61.98830	5.6
69.03455	0.8
70.67486	0.9
71.01381	3.5
73.02955	0.5
75.00817	0.3
78.95916	2.6
83.01379	0.5
83.05018	0.3
85.02965	0.8
87.00927	0.4
89.02431	1.8
93.03466	0.3
101.02445	3.0
105.17791	0.3
112.35886	0.3
113.02430	1.6
119.03513	0.6
120.82616	0.3
141.09276	0.4
152.99562	1.3
153.09180	0.4
153.12866	1.2
158.82587	0.3
161.04509	1.6
169.11008	0.6
169.12337	5.3
171.10304	0.4
179.10762	0.9
179.14473	0.5
191.05699	1.0
195.13893	4.5
196.14378	0.4
197.11819	100.0
198.12158	5.4
223.13388	3.0
223.70125	0.3
224.14023	0.4
227.13045	0.4
235.08221	3.1
253.09265	11.9
254.09560	0.6
256.13171	1.0
265.21704	0.3
275.20160	4.9
293.21216	58.5
294.21567	6.0
295.22235	0.3
403.41336	0.3
433.20795	4.1
434.21429	0.4
441.64615	0.3
473.32385	0.4
529.30194	0.6
620.93549	0.4
709.39044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20722	1.0
59.01379	11.1
61.98829	42.2
66.14954	1.0
71.01384	13.5
71.19415	1.1
71.52528	1.5
73.02955	1.7
78.95905	6.9
80.02704	1.2
81.03481	1.1
81.76121	1.0
83.05019	2.4
85.02973	1.8
87.00887	2.3
88.98801	1.3
89.02462	5.6
93.03460	1.1
97.02968	4.0
99.00880	1.3
101.02439	4.7
109.06590	21.0
113.02446	2.7
121.06633	1.7
125.02417	2.0
126.21783	0.9
135.08145	1.7
142.02707	1.6
152.99568	3.9
161.04532	2.2
161.09802	1.4
163.11285	8.9
166.86032	1.2
171.10335	3.4
181.12317	2.9
183.13907	6.6
185.11781	2.8
189.09244	1.7
191.05579	4.0
193.12354	1.8
197.11803	1.2
199.09709	1.8
207.10263	56.8
208.10591	3.5
209.11818	9.5
211.13383	100.0
212.13689	4.7
225.11324	29.1
226.11638	2.0
227.12900	2.8
235.08160	3.6
243.12335	1.4
253.09218	10.4
293.21204	2.3
366.65540	1.3
373.23819	2.0
383.22229	3.1
391.24707	1.6
401.23376	5.1
419.24478	2.5
420.39807	1.1
443.19012	1.9
447.22504	1.4
449.55106	1.2
461.20303	9.6
609.32672	1.9
637.32513	4.9
655.33417	9.3
656.33783	3.9
709.36804	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	709.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28465	2.1
58.92165	2.2
59.01386	12.2
60.30426	2.1
61.98833	19.3
71.01395	8.1
72.99308	2.9
78.95907	9.3
80.96476	3.8
81.95328	3.1
82.96111	4.2
85.02953	5.0
88.98802	4.5
89.02435	4.9
93.03468	2.4
96.58423	2.2
96.95936	3.1
101.02446	3.1
106.83618	2.1
109.02930	2.6
109.06609	2.3
113.02404	2.3
119.04995	4.5
125.02442	2.4
135.04567	2.6
163.03928	2.7
163.11264	2.8
171.10237	7.0
172.50775	2.2
184.37810	2.1
191.05626	26.3
199.13409	5.1
207.10208	10.7
209.11818	100.0
210.12161	5.9
211.13301	4.6
213.14970	8.4
225.11259	8.1
227.10762	3.0
227.12877	39.0
228.13094	3.2
235.08179	3.6
253.09236	10.6
260.12750	2.3
311.22287	5.9
314.95349	2.3
332.29813	2.4
445.20554	6.8
463.21964	6.2
473.89166	2.5
487.34790	12.3
635.30103	4.0
637.32190	6.1
655.33136	6.6
709.31158	27.9
710.32971	8.7
710.52850	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	709.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.3
61.98819	28.0
71.01375	7.0
71.53369	6.0
74.26840	5.2
74.95823	5.4
78.95898	44.6
80.96516	30.2
85.17413	4.7
89.02414	5.8
101.02427	6.2
102.28801	4.8
109.06581	7.1
128.24637	5.5
138.97098	4.8
152.99573	22.0
171.10298	6.2
183.13861	6.2
191.05516	8.2
197.11784	14.8
199.09732	25.8
207.10275	13.7
209.11792	16.0
211.13394	100.0
212.13748	7.9
225.00737	6.9
225.11342	11.6
235.08324	6.0
253.09224	12.0
293.21277	8.3
447.21802	6.7
448.22159	6.8
637.32544	6.9
655.33569	7.0
676.35590	5.6
677.35602	14.2
709.34900	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39618	1.3
59.01380	11.8
61.98820	4.9
69.35729	4.2
69.36160	5.8
71.01381	11.8
73.02935	3.3
78.95893	5.7
81.03453	1.3
83.05027	1.7
87.00843	1.7
89.02455	4.6
89.66475	1.5
95.05080	1.8
97.02962	3.7
98.19907	2.6
99.00893	2.0
101.02435	8.1
109.06591	13.4
112.75302	1.1
113.02462	3.1
119.03531	2.0
135.04521	1.3
135.08177	2.2
142.02725	1.8
152.99576	1.4
161.04520	3.0
163.11276	9.3
165.12813	1.4
175.49612	1.3
179.03548	1.4
181.12318	2.7
183.13867	17.3
185.11893	1.4
191.05640	5.3
193.12303	2.6
200.59064	1.2
207.10236	45.1
208.10608	1.7
209.11826	12.2
211.13373	100.0
212.13704	5.5
225.11304	24.0
227.12849	4.0
235.08150	5.1
243.12335	1.4
253.09299	11.0
282.87424	1.4
300.60489	1.2
302.15848	1.2
311.18686	1.2
373.23853	1.5
383.22205	2.6
391.24866	3.6
401.23135	8.0
417.55557	1.7
419.24414	3.3
443.19202	2.9
447.22342	1.7
461.20392	8.5
609.32428	1.8
637.32648	6.9
655.33301	14.0
656.34015	4.5
673.33063	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	709.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01375	11.1
61.98825	1.7
63.75870	0.4
67.01891	2.4
69.03455	11.5
71.01377	7.7
71.13325	0.9
72.99321	0.7
73.02942	0.6
81.03452	0.9
83.04990	0.5
85.02951	6.3
87.00874	1.7
89.02444	7.5
93.03455	14.2
94.03775	0.5
95.01373	0.6
96.96012	1.0
97.02953	15.8
98.03366	0.4
101.02448	4.5
105.03451	0.7
109.02927	1.5
111.04510	3.4
112.15263	0.4
113.02444	4.7
119.03480	2.6
121.02943	0.6
121.06520	0.5
123.04514	2.6
125.02391	0.4
127.04045	1.3
133.02968	1.1
135.04535	2.8
137.02440	1.7
141.01909	3.3
149.02423	1.0
149.06076	4.6
155.03510	2.2
157.05020	1.6
161.02414	1.2
167.07147	0.7
169.01357	0.8
171.02980	0.6
173.04546	28.2
174.04808	0.8
179.03477	1.9
179.05539	0.9
191.05603	56.2
192.05939	1.9
193.04991	4.8
194.05403	0.5
201.11279	0.5
209.11830	0.8
219.06682	0.5
246.16174	0.5
263.05508	0.6
283.06189	0.5
323.11264	0.7
331.23602	0.4
339.71350	0.4
343.51904	0.5
353.08765	3.8
354.08902	0.5
373.11264	1.5
385.11609	0.9
547.16650	100.0
548.17035	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	709.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.6
67.01913	1.4
69.03456	18.0
69.37482	5.9
69.37828	1.2
71.01382	11.2
73.02972	0.7
79.01862	1.1
81.03455	1.4
83.16562	0.6
85.02943	3.1
87.00887	1.3
89.02446	13.3
93.03458	10.9
95.05013	0.7
97.02950	32.5
98.03280	1.2
100.06870	0.8
101.02451	5.0
105.03455	1.8
109.02981	0.9
111.04488	2.2
113.02457	3.8
118.96355	0.7
119.03494	5.9
119.04958	0.8
121.02908	0.9
121.06571	1.1
123.04526	5.9
131.03484	0.8
133.02972	1.4
135.04544	1.8
141.01945	11.7
143.03462	0.9
149.06082	9.0
155.03485	1.1
161.02409	2.1
167.07120	1.7
173.04535	8.2
179.03481	1.6
179.05615	0.8
191.05614	17.4
193.05061	8.0
292.10104	0.8
323.11264	0.8
341.12265	0.9
373.11374	11.1
374.12189	0.7
430.95084	0.8
547.16656	100.0
548.17004	14.6
709.20160	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	709.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27682	0.4
59.01380	3.5
60.99294	0.7
67.01891	1.4
69.03456	1.1
71.01387	2.2
73.02948	0.5
81.03474	0.8
83.05042	1.0
85.02946	12.1
87.00879	3.1
89.02455	0.8
91.05605	0.4
93.03459	10.5
98.20740	1.0
99.04527	0.6
101.02448	0.9
102.81117	0.4
109.02941	2.8
111.04516	2.8
113.02438	0.6
119.03463	0.5
125.02475	0.6
127.03992	3.2
129.02007	0.7
133.02957	1.3
135.04520	2.7
137.02455	0.6
149.06137	0.5
155.03479	0.8
161.02431	0.8
169.01431	0.5
171.02965	1.2
172.05333	0.5
173.04514	5.2
179.03508	1.0
180.04234	0.5
191.05602	100.0
192.05933	4.2
195.06613	0.7
197.06055	0.6
199.07591	0.5
211.07590	1.5
213.09235	2.3
225.05504	0.7
227.10808	0.6
229.12216	0.5
237.09154	1.2
239.07156	6.2
240.07640	0.6
255.10240	5.8
256.10559	0.6
273.11148	0.5
281.08310	0.6
299.09213	4.4
321.15546	2.6
343.08057	0.9
351.07193	1.2
353.08871	0.7
373.49396	0.4
473.14532	0.8
517.13550	18.0
518.13489	2.4
535.14435	3.1
536.15564	0.4
547.16101	1.5
547.33173	0.4
563.13867	0.5
709.19702	23.6
710.19855	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	709.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
59.01378	12.2
67.01878	2.2
67.15261	0.6
69.03452	10.7
71.01379	9.4
71.22867	0.7
72.99323	0.8
83.01396	0.6
83.05021	0.7
85.02504	0.8
85.02950	6.2
86.76612	0.6
87.00862	1.9
89.02441	9.6
93.03450	15.2
97.02361	1.2
97.02950	18.5
99.04518	0.9
101.02431	4.3
105.03434	1.2
111.04510	3.0
113.02447	5.7
113.13785	0.5
116.49715	0.6
119.03480	2.6
121.02922	0.9
123.04520	3.0
123.05277	0.6
127.04000	2.0
135.04512	2.0
137.02435	1.5
141.01933	6.5
143.03474	1.3
149.06050	4.9
155.03464	1.0
157.05020	1.6
161.02393	0.9
169.01434	0.8
173.04541	25.3
174.04831	0.9
191.05602	45.3
192.05928	1.8
193.05040	5.2
230.28755	0.5
309.67868	0.6
352.39075	0.7
373.11295	2.4
385.11603	0.8
406.13245	0.6
547.16650	100.0
548.16992	13.8
709.19775	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	709.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24501	0.5
57.03420	0.6
58.00578	0.6
59.01378	11.8
59.72153	0.4
67.01879	1.7
68.08895	0.5
69.03452	10.1
71.01380	7.8
72.99308	0.5
81.03452	1.1
83.05022	0.7
85.02944	5.3
87.00874	1.6
89.01933	0.8
89.02444	8.6
93.03458	12.8
97.02947	17.0
97.03580	0.9
98.20707	1.0
99.04499	0.7
101.02444	4.2
105.03449	0.9
109.02952	1.1
111.04504	2.0
113.02444	4.7
113.44090	0.5
119.03508	3.1
121.02949	0.9
121.06596	0.9
123.04527	2.7
127.03991	0.9
129.01979	0.6
133.02943	0.5
135.04501	1.8
137.02432	1.5
141.01939	5.9
143.03494	1.2
149.06067	5.2
155.03491	1.7
157.05072	1.2
161.02417	1.2
173.04539	23.8
174.04938	0.5
174.28043	0.5
179.03442	0.9
179.05644	0.7
191.05600	43.2
192.05951	1.4
193.05035	5.8
201.74649	0.5
225.91920	0.6
239.40169	0.5
261.55121	0.5
263.48499	0.5
373.11234	2.3
377.33038	0.5
385.11328	0.6
438.11459	0.5
503.16010	0.7
547.16656	100.0
548.17059	13.6
677.27472	0.6
709.20410	3.0
739.24170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82243	0.4
59.01378	13.0
67.01875	0.5
69.03454	11.1
69.27237	0.9
69.27660	3.0
70.03778	0.4
70.43704	0.4
71.01383	7.5
72.44968	0.4
72.99313	0.7
76.98373	0.4
78.91161	0.4
81.03437	0.7
85.02943	5.8
87.00885	2.2
89.02441	9.2
93.03452	8.0
95.01385	0.5
95.72005	0.4
96.95959	0.5
97.02948	17.1
97.03582	0.8
101.02444	4.3
105.03441	0.5
109.02988	0.4
111.04523	2.9
111.27470	0.4
113.02428	2.9
118.06585	0.4
119.03521	3.3
121.02949	0.7
121.06576	0.9
123.00862	0.4
123.04503	2.2
127.04011	1.5
129.01941	1.3
134.03709	0.4
135.04521	1.0
137.02362	0.7
140.07141	0.4
141.01965	3.1
143.03494	0.5
149.04840	0.6
149.06073	5.5
155.03497	2.0
161.02484	0.5
161.04504	0.5
167.07114	0.8
173.04539	6.1
179.05609	0.6
191.05602	54.2
192.05957	1.9
192.56554	0.4
193.05043	6.6
194.05389	0.7
239.08333	0.5
287.09335	1.7
293.16489	0.6
303.13315	0.5
373.11517	2.1
387.11951	0.7
427.46036	0.4
547.16656	100.0
548.16986	12.0
649.25018	0.8
691.25909	1.3
713.06171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42248	0.4
55.81131	0.5
59.01380	4.0
61.98837	2.6
67.06651	0.4
69.03472	0.8
70.27575	1.2
70.27973	1.0
71.01379	3.2
73.02971	0.5
78.40148	0.5
78.95905	15.9
79.04711	0.5
81.03426	0.6
83.05049	0.7
85.02946	1.2
87.00900	0.6
89.02431	2.0
94.49368	0.5
96.96967	1.7
97.02950	1.0
101.02437	2.1
102.46831	0.6
109.06589	4.7
113.02437	1.7
119.03493	0.5
143.03418	0.6
152.98375	0.9
152.99590	17.3
161.04599	0.7
163.11272	2.9
167.14427	0.6
171.00623	1.8
171.10257	1.0
179.10812	0.6
181.12337	1.4
183.13869	4.7
193.12306	1.6
197.11862	0.8
207.10249	8.5
211.13388	100.0
212.13730	6.7
225.11311	8.3
226.11603	1.0
227.03314	0.9
235.08218	3.1
253.09221	7.6
253.21754	3.7
255.23337	1.2
265.66678	0.6
277.21710	83.6
278.22067	8.1
361.10495	1.6
429.21136	0.8
435.14084	1.1
447.22272	2.7
453.15277	15.8
454.15527	1.8
471.16562	0.8
521.24146	0.6
689.36884	5.6
690.37158	1.5
707.37207	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	707.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37651	1.9
59.01377	12.1
61.98833	18.5
69.54006	13.6
71.01390	3.7
76.54256	2.0
78.95902	100.0
79.56509	2.0
81.03457	2.8
83.05016	4.2
96.01357	1.7
96.96966	9.3
97.02948	7.0
109.06590	34.4
110.03744	2.7
121.06608	3.0
135.08095	3.6
150.97968	2.3
152.99585	95.2
153.00833	4.9
161.09727	3.0
163.11302	18.5
171.00645	16.1
179.33188	2.9
181.12325	5.8
187.05884	2.1
197.11917	4.1
207.10262	57.0
208.10526	3.0
209.02214	4.6
211.13391	42.1
212.13718	2.5
225.11327	47.2
226.11754	2.8
227.03276	9.5
244.29529	2.1
245.04300	4.7
253.09216	2.5
253.21704	24.4
254.21964	2.5
255.23209	6.9
277.21716	57.5
278.22189	4.5
361.10468	9.8
379.11490	4.0
435.13998	5.3
453.15302	94.6
454.15381	9.9
471.16299	4.5
483.26855	2.6
489.86279	2.9
689.36737	16.6
690.36957	4.7
707.37299	12.5
738.15796	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	707.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01380	8.9
61.98814	4.7
62.70375	1.1
69.03477	1.1
71.01366	2.5
71.53185	2.5
73.02936	2.8
78.95901	81.4
80.96517	1.3
81.03441	2.9
83.05013	4.6
83.77893	1.2
89.87351	1.2
95.05012	2.4
96.96964	8.7
97.02972	3.0
99.00884	1.4
109.06594	21.6
118.95184	1.4
121.06589	1.6
125.09732	2.0
135.08171	1.8
142.02687	1.7
150.98012	1.6
152.99585	100.0
153.09209	1.5
155.10745	1.7
163.11290	14.7
167.10764	1.5
171.00650	11.1
171.10251	10.5
179.10750	1.9
181.12329	6.0
189.09120	2.4
191.05695	1.4
197.11775	3.4
199.09734	12.1
199.13390	2.1
207.08368	2.4
207.10255	43.1
208.10550	2.2
209.02063	1.6
209.11806	5.7
211.13351	6.4
225.11304	45.0
226.11600	3.2
227.03355	7.3
243.12234	3.0
245.04245	2.6
253.21719	18.0
254.22003	1.7
255.23224	5.0
277.21698	8.0
279.23117	3.0
304.28610	1.4
361.10574	8.4
379.11523	4.0
409.12613	2.6
435.14014	5.5
453.15286	65.6
454.15640	4.3
455.35266	1.3
471.16354	42.2
472.16507	3.3
483.26801	2.3
545.31085	1.4
689.36725	20.0
690.36676	3.6
707.37524	56.2
708.37616	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	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95723	0.8
57.03442	2.0
58.00598	1.1
59.01378	33.6
61.98826	21.9
69.03450	2.3
69.94927	3.2
71.01379	25.1
72.99297	2.5
73.02944	4.0
78.95898	3.1
81.03452	1.5
83.01383	2.5
85.02950	6.0
87.00854	4.9
89.02439	26.5
93.03451	2.8
95.01372	1.3
95.05011	0.9
96.96017	1.8
97.02956	5.2
99.00874	1.2
101.02439	20.1
109.02934	1.2
109.06578	1.2
111.08154	11.1
113.02438	9.5
119.03507	8.8
120.63491	0.7
125.02434	5.9
131.03488	1.6
137.09630	0.8
143.03481	3.6
143.42732	0.8
149.04495	1.5
161.04533	5.0
167.10794	2.6
171.10213	0.9
177.12794	2.2
179.05617	5.7
179.10800	1.1
191.05598	6.0
195.13925	6.4
207.10242	1.8
209.11800	2.4
221.06638	1.1
225.11275	2.1
235.08139	4.8
247.20583	2.0
253.09271	2.5
263.07785	1.1
291.19635	100.0
292.19952	8.0
309.20581	1.5
351.28284	0.9
397.13495	15.8
415.14566	14.8
651.29736	1.3
669.31104	1.3
707.36163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.1
59.01368	0.6
61.54516	0.1
67.01866	0.2
71.01385	0.3
73.02940	0.1
81.03448	0.1
83.04996	0.2
85.02948	4.6
87.00877	0.9
93.03459	1.8
99.04520	0.1
109.02949	0.4
111.04506	0.7
112.30943	0.1
127.04012	1.2
133.02969	0.4
135.04497	0.7
145.23174	0.1
151.37199	0.1
161.02432	1.7
171.03018	0.5
173.04529	0.7
179.03432	0.7
191.05612	100.0
192.05949	3.5
228.99083	0.1
350.59259	0.1
353.08752	12.8
354.09149	0.9
392.02655	0.1
553.59216	0.1
654.43286	0.1
738.82538	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
54.79163	1.1
57.03443	1.6
58.93594	1.2
59.01379	19.0
61.98828	20.4
64.15060	1.2
67.01887	1.7
67.99481	1.0
69.03458	2.2
69.52985	8.5
71.01379	74.7
72.01695	1.3
72.99308	1.2
73.02936	4.9
78.95908	2.9
80.02664	1.9
81.03429	2.3
83.01420	1.9
83.05012	7.5
84.02171	1.4
85.02948	6.9
87.00867	4.3
88.98800	1.4
89.02441	7.0
93.03457	5.3
95.01382	2.0
96.95983	2.9
97.02943	3.9
98.20637	1.6
99.00897	2.5
99.04453	1.3
101.02435	8.6
109.02962	2.3
109.06600	5.9
111.08138	1.6
113.02431	3.9
115.00338	1.5
119.03522	2.9
119.05001	1.2
125.02467	2.2
125.09711	4.5
125.94289	1.1
127.11303	2.4
127.37985	1.1
131.48021	1.3
135.04512	5.3
135.08165	2.3
137.02414	1.7
143.76529	1.2
149.02107	1.2
155.10718	2.7
161.02428	1.8
161.04497	3.1
163.11322	6.8
165.05608	1.2
165.09172	1.3
165.12868	2.4
166.02713	1.2
169.01396	1.9
171.10274	52.7
172.10646	1.5
173.04483	4.1
179.03514	2.2
179.05565	2.0
181.12334	3.4
185.11868	2.6
191.05609	35.3
191.10788	1.5
192.05774	3.0
197.11813	1.7
199.09718	5.0
199.13365	2.4
201.11320	40.5
207.10226	15.3
208.10651	1.2
209.11815	100.0
210.12141	8.3
211.13376	4.7
225.09259	1.9
225.11310	22.7
226.11674	2.6
227.12854	12.7
235.08211	4.6
243.12386	3.0
253.09282	11.8
291.19662	5.1
335.17099	1.3
379.45081	1.5
397.13565	6.5
415.14709	3.0
461.20117	4.4
485.32840	3.2
505.26285	1.2
638.87872	1.3
671.32733	2.0
681.76086	2.2
689.33618	4.4
707.35736	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	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.9
59.01386	11.6
61.98827	100.0
69.03459	1.9
71.01382	45.0
71.53690	1.9
78.95905	42.9
80.35893	1.7
80.96513	5.0
83.05039	2.9
85.02950	5.7
87.00877	3.7
89.02429	4.3
93.03464	7.0
95.04951	1.9
96.96011	2.1
96.96960	4.6
97.02939	4.3
97.06560	2.6
99.00864	4.2
101.02431	3.5
109.06600	9.4
113.02444	2.1
125.02416	2.1
152.99594	22.9
163.11247	8.8
169.12294	3.4
171.10271	10.9
173.04495	3.7
179.10736	2.0
181.12311	4.7
182.30443	1.8
183.13896	5.0
191.05591	22.3
197.11823	37.5
198.12148	2.6
199.13315	6.8
201.11356	3.2
207.10237	24.0
208.10675	1.8
209.11826	28.9
211.11481	3.6
211.13391	57.0
212.13702	5.8
225.11302	30.3
226.11624	3.3
227.12881	9.8
235.08267	3.4
243.12386	5.1
253.09236	7.3
285.50778	1.9
291.19647	5.6
332.04422	1.9
339.04889	2.3
363.12021	3.3
401.23590	2.4
433.20929	2.5
445.19708	3.4
461.20102	4.6
463.21494	2.2
494.94406	2.1
513.10022	4.0
637.31866	3.4
655.32971	4.7
673.33966	15.2
674.34088	3.7
705.36774	19.7
706.36511	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	706.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98827	100.0
71.01401	0.1
78.95901	0.2
88.98832	0.2
89.02447	0.2
93.71804	0.1
95.53467	0.1
98.19844	0.2
115.94925	0.1
127.94149	0.1
163.11244	0.2
183.13834	1.0
184.14308	0.3
185.52109	0.1
191.05621	0.4
197.11897	0.1
207.10535	0.1
209.11794	1.0
210.12170	0.6
225.11446	0.2
227.12943	0.3
263.01550	0.1
456.27789	0.1
563.77979	0.1
648.78656	0.1
674.34698	1.1
675.35168	0.2
700.89423	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	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
60.62402	0.9
71.01377	3.0
77.67703	1.1
83.05029	3.9
89.02453	2.1
98.65515	1.0
101.02419	1.7
107.68280	1.1
113.02475	1.0
140.43057	1.0
163.11285	2.9
165.12852	2.2
171.10187	1.7
182.85506	1.3
191.05542	1.2
209.11815	100.0
210.12086	7.6
224.81726	1.2
227.12854	13.6
235.08238	2.4
253.09402	5.6
280.19748	1.2
445.20688	1.5
513.10529	1.3
614.28033	1.2
637.92474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26659	10.4
57.35240	11.4
60.47415	12.1
61.98837	56.1
71.53223	15.9
75.64170	12.2
78.95903	60.4
85.89587	10.7
101.27235	10.5
131.88939	13.1
143.53149	14.6
152.99605	22.2
153.81630	12.0
207.10323	13.0
209.11801	33.6
211.00313	11.1
239.12756	13.0
241.14415	52.7
253.09407	15.1
255.23233	100.0
256.23557	26.5
257.23965	13.9
277.21774	25.6
664.93774	13.7
703.43805	17.1
704.45038	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	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.04019	0.1
78.95899	2.6
78.96329	0.2
95.84084	0.1
131.84821	0.2
152.99593	1.1
171.10335	0.2
179.16359	0.2
191.05545	0.8
207.10384	0.3
209.11850	0.8
211.13347	1.0
212.13809	0.6
213.14066	0.2
225.11316	0.2
229.12804	0.3
344.98038	0.2
363.12436	0.4
420.81775	0.2
705.35321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18189	0.2
61.98828	100.0
62.98540	0.3
68.88632	0.2
70.20864	0.2
71.01379	0.3
71.52296	0.2
78.95900	2.7
78.96320	0.2
85.02967	0.2
88.62967	0.2
96.96973	0.2
106.68350	0.2
152.75578	0.2
152.99565	0.9
171.10309	0.3
174.66849	0.2
191.05621	1.1
194.70302	0.2
195.75139	0.2
207.10275	0.2
209.11801	1.0
211.13361	0.3
225.11542	0.3
363.12567	0.3
429.76501	0.2
513.10638	0.3
554.85315	0.2
672.32550	0.4
705.36102	0.3
727.15912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32613	1.2
59.01365	2.7
61.98827	100.0
71.01386	7.9
71.10440	2.2
78.95912	2.8
83.05038	1.4
85.02974	1.2
87.00854	1.2
88.10674	1.4
99.87357	1.2
101.02467	1.4
105.88138	1.1
109.06602	1.9
112.18451	1.1
152.99559	1.6
171.10371	1.3
191.05586	3.2
195.14082	1.1
197.11900	3.2
199.13336	1.5
207.10222	2.7
209.11826	15.2
211.13293	6.9
223.13367	22.4
225.11246	3.7
227.12904	5.1
235.08163	2.7
253.09346	3.0
326.07867	1.3
332.96597	1.2
447.88437	1.2
459.22238	8.5
616.14508	1.2
627.56891	1.3
673.34589	2.1
705.32776	8.3
706.32458	1.8
729.28320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31808	3.4
59.01356	6.7
61.98832	39.5
63.53570	3.9
69.10311	3.8
71.01379	47.8
76.67052	3.7
78.95889	13.5
106.39237	3.3
152.99490	4.2
171.10301	4.0
176.17950	4.3
191.05582	10.0
197.11758	5.4
207.10234	12.6
209.11816	100.0
210.12125	7.8
211.13382	24.9
212.13741	5.1
223.13409	48.5
225.11296	11.5
227.12907	25.9
235.08430	3.9
253.09210	11.2
384.22687	4.0
445.20850	5.8
459.22061	4.4
529.55597	4.7
632.47943	4.3
651.33258	9.5
673.34137	6.0
705.32324	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	703.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96553	0.9
57.03444	1.2
59.01375	12.9
70.85166	2.5
71.01369	3.5
73.02962	1.3
80.02672	2.0
81.03449	3.1
83.01430	1.2
83.05017	7.6
84.02152	1.1
85.02929	1.9
87.00873	0.9
89.02438	4.5
95.05049	1.2
97.02943	3.3
99.00831	1.0
101.02438	4.8
106.74930	1.0
109.06593	22.8
110.03725	1.5
112.13828	1.0
113.02453	2.5
119.03485	1.3
121.06544	1.4
125.06023	1.4
125.09755	1.8
126.99709	1.3
135.08128	3.7
142.02745	1.4
161.04507	1.7
161.09747	1.9
163.11299	19.5
165.12842	2.8
181.12291	4.2
189.09218	2.8
191.10735	1.9
207.10249	66.1
208.10608	3.2
209.11818	100.0
210.12201	6.1
225.11304	29.4
227.12872	15.8
231.10263	1.3
235.08211	4.0
249.11064	1.4
253.09308	9.3
297.61725	1.1
399.21658	4.5
417.22708	4.0
443.19147	3.2
445.20749	1.1
461.20160	8.9
533.98535	1.1
590.49512	1.1
635.30548	14.5
636.31268	1.9
653.31665	12.8
654.31702	2.6
671.32788	21.3
672.33948	5.1
703.34351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
58.00607	0.2
59.01378	2.6
61.98817	0.5
69.92492	0.7
71.01375	2.8
73.02930	0.7
78.95905	0.6
80.02687	0.5
81.03465	0.6
83.01394	0.4
83.05019	2.7
84.02181	0.5
85.02943	0.9
87.00866	0.9
89.02446	1.5
91.32602	0.2
95.01366	0.4
95.05023	0.4
99.00881	0.3
99.92565	0.6
101.02438	2.6
106.42156	0.2
113.02435	1.3
115.92027	0.4
116.92859	0.4
119.03506	0.4
125.06071	0.3
133.04996	0.2
135.08200	0.3
143.03462	0.2
145.05069	0.7
147.11760	0.2
152.99576	0.3
160.81003	0.1
161.04561	1.3
163.11284	2.3
165.12851	1.3
181.12396	0.4
191.10776	0.4
209.11810	61.8
210.12173	3.7
227.12871	6.5
228.13190	0.5
235.08214	6.1
236.08607	0.2
253.09270	6.7
254.09592	0.3
255.23268	100.0
256.23624	7.1
256.26367	0.3
339.23340	0.4
445.20587	0.2
491.32397	0.8
576.51392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89689	0.3
59.01376	2.8
61.98825	1.0
70.58430	0.9
71.01370	2.8
73.02948	1.0
78.95898	1.1
81.03466	0.7
82.65245	0.3
83.01387	0.5
83.05029	2.4
84.02170	0.3
85.02944	0.8
87.00885	0.6
89.02427	1.6
95.01424	0.3
95.05051	0.4
95.53277	0.3
99.00901	0.4
99.92575	1.7
101.02436	2.5
113.02433	1.6
115.92087	1.5
116.92867	1.1
118.48074	0.3
119.03490	0.4
125.06097	0.4
126.62261	0.3
133.05046	0.5
145.05054	0.7
152.99562	0.7
161.04584	1.4
163.11316	2.1
163.76660	0.3
165.12833	1.7
191.10747	0.6
209.11816	64.8
210.12167	3.2
227.12886	7.3
228.13371	0.6
235.08223	6.7
253.09273	7.0
255.23283	100.0
256.23599	7.4
348.85501	0.4
408.94797	0.3
491.32318	1.0
665.31244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20587	0.5
54.14637	0.5
59.01369	1.2
67.01889	0.9
69.03426	0.7
70.24735	0.6
71.01356	0.8
73.02917	0.6
74.17375	0.5
81.03429	0.7
85.02955	7.4
87.00858	1.5
93.03463	4.8
97.02937	1.1
105.40633	0.7
111.04499	1.0
127.04004	1.8
127.13448	0.6
173.04550	1.7
191.05605	49.5
192.05943	1.5
195.04613	1.2
207.04488	1.2
219.04463	4.2
223.03975	1.5
234.03232	0.6
235.03963	6.6
237.05533	3.6
247.03918	3.4
248.04607	1.8
250.02589	1.8
251.03447	6.3
252.03937	0.6
263.03491	5.0
264.04199	5.1
265.05029	9.4
267.03143	1.0
274.02853	0.6
279.03049	1.8
281.04492	1.3
291.02945	7.5
292.03558	1.3
293.04538	14.7
294.01675	20.1
294.04758	1.7
295.02420	10.3
296.02924	1.4
296.67010	0.7
297.03778	0.7
309.04071	1.0
311.05530	0.7
311.41974	0.6
319.02417	31.7
320.02676	2.1
337.03516	31.0
338.03973	2.5
465.08533	1.0
511.08795	100.0
512.09082	13.2
703.15167	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	701.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17626	1.1
51.88293	0.8
59.01375	16.6
69.69387	5.2
71.01375	8.4
75.72789	0.9
79.00471	0.8
79.18361	0.8
85.02944	4.8
85.58170	0.8
87.00892	1.1
89.02445	10.9
89.91895	0.8
93.03477	1.2
95.01476	1.0
98.20634	1.2
101.02441	6.8
103.05493	1.1
111.31580	0.9
113.02419	2.9
119.03505	4.8
119.05003	3.1
119.95576	1.1
140.58722	0.9
147.04521	60.3
148.04854	3.4
153.01877	1.0
165.05577	7.7
172.74657	0.8
191.05617	15.6
263.03482	8.3
268.91049	0.9
285.88477	1.1
301.07028	2.0
314.14185	1.0
327.10825	100.0
328.11136	7.8
335.01917	29.4
336.02432	4.3
534.13324	1.3
701.13336	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	701.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17384	0.8
57.82640	1.1
59.01374	2.2
61.98811	3.1
63.50314	1.0
71.23197	1.6
85.02937	1.4
89.02431	1.5
93.03445	0.9
96.95981	1.2
106.95543	0.9
123.00860	1.8
124.01652	3.2
125.02451	3.7
133.02956	2.0
135.04491	2.4
136.79233	1.0
137.02419	1.8
149.06090	0.9
149.99557	3.4
150.06821	2.4
161.02406	3.1
164.04765	1.4
166.99742	1.1
168.00623	7.7
169.01440	4.7
179.03387	1.1
181.05055	1.7
184.68001	0.8
191.05620	5.1
194.67590	0.9
195.06514	1.1
197.02206	6.8
208.41675	0.9
221.34561	1.1
232.77374	0.9
267.55408	0.9
287.90057	0.9
345.07550	1.1
423.19067	1.0
459.35037	1.9
485.32602	9.7
486.33270	1.8
492.09161	2.7
503.33762	100.0
504.34213	16.1
510.07831	1.6
521.21271	1.4
539.31989	1.2
650.50720	1.0
701.18042	5.0
701.36932	34.5
702.16919	1.4
702.37329	5.8
732.70935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13561	0.2
59.01376	6.4
61.98822	0.7
69.03454	0.8
71.01395	1.3
73.02943	0.4
74.77475	0.3
76.39110	0.2
78.95909	2.4
83.04988	0.3
85.02955	0.5
86.58363	0.2
87.50550	0.2
89.02457	1.3
97.82771	0.2
98.19931	0.6
101.02431	1.5
102.66528	0.3
103.01077	0.2
109.06576	0.3
113.02433	0.6
114.13712	0.3
119.03477	0.3
143.03433	0.3
145.03053	0.3
152.99594	1.4
161.04546	0.6
163.73828	0.3
167.14380	0.5
171.10291	1.0
183.13893	5.2
191.05617	0.6
193.12296	1.8
195.13901	0.5
207.10347	0.3
209.11819	0.6
211.13377	100.0
212.13728	6.0
223.13367	0.7
235.08186	2.0
253.09277	3.6
255.23241	0.4
271.15381	0.5
295.22858	0.3
359.12598	0.3
387.25436	0.4
429.21252	0.9
447.22324	7.4
448.22601	0.6
623.34564	1.0
624.34119	0.4
641.35370	0.7
650.32922	0.3
701.36926	0.9
702.39319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11407	1.1
57.17138	1.0
59.01374	7.8
59.88770	1.1
61.98829	1.8
69.03419	1.2
69.49717	4.3
69.50137	3.3
71.01363	3.6
74.12661	1.1
78.95910	1.9
81.03441	3.4
83.01382	1.3
83.05009	7.3
85.02927	2.8
87.00871	6.0
89.02433	2.3
93.03462	16.0
96.96007	1.4
96.96955	1.7
98.20635	1.9
99.00845	1.5
107.77975	1.0
108.02143	3.1
109.02934	5.7
111.00834	2.1
111.03848	1.3
111.04522	19.7
112.04873	1.4
119.04977	1.4
135.04483	3.0
136.04822	1.2
137.02403	3.4
139.03929	1.8
147.04424	1.3
152.01115	4.7
153.01869	2.2
155.03506	18.8
161.02388	4.4
169.01398	1.0
171.08139	1.1
173.04556	6.0
179.03458	2.9
182.07394	1.5
191.03874	1.6
191.05612	13.0
195.08174	1.6
197.09737	7.2
199.04193	21.9
210.18564	1.3
210.35599	1.4
217.05261	5.2
223.07625	1.6
239.10689	2.7
249.59604	1.3
254.69749	1.3
269.04822	5.7
287.05780	1.4
297.04291	1.2
335.01779	3.5
354.08893	1.3
355.08398	24.5
356.08621	2.3
373.09473	6.3
477.17767	1.5
521.16461	1.5
685.56213	1.3
697.12378	1.3
701.18884	100.0
702.19202	17.9
724.47137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.6
64.79607	0.6
71.00597	1.4
85.02966	4.1
93.03464	2.9
96.96043	1.7
110.28168	0.6
127.04086	0.8
137.69218	0.5
149.07124	0.6
167.56924	0.5
178.79849	0.6
191.05605	22.5
192.06084	0.8
234.03354	0.9
263.03467	42.3
264.03754	3.0
265.05051	0.8
291.03049	2.6
306.01849	1.6
307.02386	0.7
309.04047	0.9
334.01343	3.7
335.01956	100.0
336.02264	9.4
355.07852	0.6
509.07162	5.0
701.13446	36.2
702.13794	7.9
719.02045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
71.01382	1.1
71.53326	0.5
71.53707	0.4
81.03464	0.4
85.02946	3.8
87.00908	1.2
89.02491	0.8
93.03457	2.2
96.96037	1.2
111.04527	1.0
127.04018	0.9
155.03499	1.2
169.01436	0.4
173.04602	0.7
181.04305	0.4
191.05608	25.6
192.06079	0.5
234.03238	0.7
235.04059	0.5
263.03476	38.5
264.03812	3.8
265.05081	0.7
291.02997	1.5
291.76501	0.4
306.01678	1.2
334.01126	3.9
335.01950	100.0
336.02261	9.6
408.62943	0.4
444.12131	0.4
485.19534	0.5
509.07233	4.2
510.07477	0.6
616.56421	0.4
701.13446	32.7
702.13849	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11407	1.1
57.17138	1.0
59.01374	7.8
59.88770	1.1
61.98829	1.8
69.03419	1.2
69.49717	4.3
69.50137	3.3
71.01363	3.6
74.12661	1.1
78.95910	1.9
81.03441	3.4
83.01382	1.3
83.05009	7.3
85.02927	2.8
87.00871	6.0
89.02433	2.3
93.03462	16.0
96.96007	1.4
96.96955	1.7
98.20635	1.9
99.00845	1.5
107.77975	1.0
108.02143	3.1
109.02934	5.7
111.00834	2.1
111.03848	1.3
111.04522	19.7
112.04873	1.4
119.04977	1.4
135.04483	3.0
136.04822	1.2
137.02403	3.4
139.03929	1.8
147.04424	1.3
152.01115	4.7
153.01869	2.2
155.03506	18.8
161.02388	4.4
169.01398	1.0
171.08139	1.1
173.04556	6.0
179.03458	2.9
182.07394	1.5
191.03874	1.6
191.05612	13.0
195.08174	1.6
197.09737	7.2
199.04193	21.9
210.18564	1.3
210.35599	1.4
217.05261	5.2
223.07625	1.6
239.10689	2.7
249.59604	1.3
254.69749	1.3
269.04822	5.7
287.05780	1.4
297.04291	1.2
335.01779	3.5
354.08893	1.3
355.08398	24.5
356.08621	2.3
373.09473	6.3
477.17767	1.5
521.16461	1.5
685.56213	1.3
697.12378	1.3
701.18884	100.0
702.19202	17.9
724.47137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
58.00596	0.3
59.01372	4.8
61.98822	1.8
71.01370	3.2
71.82616	0.3
72.99309	0.3
73.02950	1.4
78.95904	0.5
80.02670	0.6
81.03438	0.9
83.01389	0.9
83.05022	1.0
85.02957	1.4
87.00881	1.0
89.02426	1.8
93.64063	0.3
95.01426	0.3
95.05014	0.4
97.02944	3.5
98.48244	0.3
99.00888	0.8
99.92554	0.3
101.02437	4.2
101.03095	0.4
102.30791	0.3
107.05003	0.3
109.06583	12.2
110.03708	0.4
110.06950	0.5
113.02441	1.9
115.72295	0.3
119.03476	0.6
121.06590	0.8
125.02402	0.4
125.09737	0.6
133.05063	0.4
135.08162	1.3
136.05257	0.4
142.02702	1.0
145.05038	0.7
161.04558	1.4
161.09660	0.7
161.14793	0.3
163.11279	8.4
164.11626	0.4
179.05563	0.3
179.10782	0.5
181.12363	1.7
189.09224	2.0
207.10237	45.5
208.10533	2.5
209.11740	0.4
225.11296	12.8
226.11552	0.4
235.08203	7.0
236.08499	0.5
253.09259	8.6
255.23265	100.0
256.23602	8.3
281.13770	0.7
299.15027	0.5
419.35245	0.7
425.17920	0.4
443.19156	2.5
461.20145	2.8
468.49707	0.3
491.32114	1.1
681.11438	0.3
681.42059	0.7
699.43127	21.7
700.43457	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	699.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18969	0.2
55.01869	0.3
58.00593	0.3
59.01375	2.1
61.98828	4.9
63.99252	0.2
69.03452	0.3
71.01376	2.7
72.99324	0.2
73.02938	0.7
73.55687	0.1
76.57487	0.2
78.95907	0.4
80.02676	0.8
81.03461	0.7
83.01394	0.5
83.05017	2.7
84.02141	0.3
85.02951	0.9
86.00102	0.2
87.00883	0.7
89.02453	1.6
95.04993	0.6
97.02957	0.3
97.16458	0.2
99.00869	0.3
101.02433	2.8
111.04590	0.2
113.02438	1.0
115.04005	0.3
118.42876	0.2
119.03513	0.6
125.06077	0.4
125.09706	0.2
135.08130	0.3
145.05037	0.9
161.04552	1.3
163.11278	2.2
165.12766	1.1
169.05061	0.2
181.12347	0.4
191.10822	0.5
196.64168	0.2
203.92891	0.1
207.10316	0.7
209.11809	59.0
210.10564	0.1
210.12149	3.7
225.11343	2.1
227.12862	7.2
228.13187	0.5
235.08206	5.9
236.08612	0.3
253.09317	7.0
253.21701	100.0
254.09549	0.4
254.22040	8.0
255.23257	3.8
443.19147	0.2
445.20795	0.3
489.30753	0.7
699.43109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24857	0.9
57.03441	1.2
59.01378	36.9
59.81647	0.9
59.93389	1.1
60.17259	0.8
60.53230	0.8
61.98824	12.3
65.03972	1.3
67.01891	4.1
69.03452	100.0
70.03790	1.1
71.01377	10.5
73.02923	2.7
78.95900	1.5
83.01356	1.3
83.05012	1.2
84.02137	1.0
85.02955	10.8
87.00871	2.2
88.98756	1.5
89.02416	3.6
93.03444	4.0
93.07085	1.5
95.01405	1.9
95.05019	23.8
96.96016	1.7
97.02945	1.8
97.06579	3.6
99.04462	0.8
101.02426	3.9
102.14509	0.8
106.04237	6.3
108.02145	1.9
109.02950	1.9
109.06541	1.0
111.00869	1.8
113.02451	6.5
119.04977	1.8
121.02933	10.3
121.06591	38.4
122.06897	1.2
123.04523	9.1
125.02483	1.4
133.02930	2.0
134.69211	1.0
135.04480	2.9
137.02411	1.6
137.09740	1.7
139.00357	10.9
139.03905	1.4
139.07568	4.8
147.04524	2.0
149.02402	1.9
152.01147	1.3
153.33919	1.0
155.10701	1.1
161.02382	1.0
164.35117	1.0
165.05563	14.4
166.33493	1.0
166.46368	1.0
167.03407	1.0
169.01447	1.0
171.10239	4.1
173.04535	2.3
179.03397	1.3
183.06601	10.2
191.03802	1.8
191.05597	20.0
191.14421	4.9
191.15933	1.2
192.05927	1.9
209.04550	17.1
209.11751	3.3
211.13400	8.0
221.11754	1.3
229.14449	4.7
235.13403	2.6
253.14423	2.1
291.19641	2.7
309.20572	3.7
315.07294	1.9
316.04105	1.0
327.21759	35.0
328.22073	3.9
345.11905	5.3
351.21735	9.5
369.22665	3.5
383.06299	1.3
655.33319	47.6
656.33832	10.0
699.32269	70.5
700.32776	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	699.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
69.63884	3.3
71.01373	1.8
81.03467	2.2
83.05019	6.0
85.02963	0.9
87.00877	4.8
93.03456	13.6
98.19907	1.3
99.64700	0.9
108.02133	2.2
109.02953	8.5
111.04512	19.2
115.00337	1.6
119.05048	1.3
122.03731	1.4
125.02398	0.7
127.04015	0.9
128.15747	0.7
135.04514	2.1
136.97235	0.7
137.02454	3.4
155.03484	18.3
156.03848	1.0
161.02429	1.2
162.35841	0.7
173.04536	2.8
173.58537	0.7
179.03462	1.0
181.03178	0.8
191.05585	10.4
192.06119	0.8
199.04176	13.7
200.04420	0.8
217.05013	0.8
224.58730	0.6
226.06384	3.8
227.07127	7.0
232.90503	0.6
251.97279	0.8
253.08813	0.9
255.10260	17.6
269.04718	9.5
297.04068	1.1
309.07761	1.4
311.05869	1.1
337.07376	1.8
342.10947	0.7
354.08716	1.5
355.08405	27.0
356.08820	1.9
361.07455	0.8
373.09497	1.8
519.13989	0.8
525.11914	0.8
609.15918	0.7
699.17377	100.0
700.17596	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	699.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
67.01888	1.3
69.03449	1.6
71.01350	1.3
71.53147	1.8
71.77734	1.4
81.03433	2.5
83.04999	4.8
85.02941	2.9
87.00853	2.5
93.03453	13.1
97.02890	1.4
98.93420	1.3
109.02906	3.6
111.04510	15.9
111.27579	1.3
113.00524	2.2
117.03442	1.4
118.80987	1.5
119.05023	8.6
121.02956	2.6
124.01621	2.9
125.02408	4.4
127.03893	1.7
133.02924	3.8
135.04491	5.8
137.02415	7.4
145.02931	2.8
147.04520	1.4
149.99513	3.0
155.03456	12.0
161.02396	11.8
163.03970	5.0
165.01871	4.8
168.00732	6.4
169.01373	2.7
173.04514	1.8
178.92029	1.7
179.03442	2.6
191.03497	3.9
191.05576	25.4
192.05887	2.2
197.04507	3.0
199.04178	14.5
217.05330	2.3
269.04626	12.0
295.06015	2.6
309.07816	4.4
343.06180	1.6
345.06058	2.4
349.05475	4.1
354.08807	1.8
355.04205	2.5
355.08389	33.4
356.08606	3.2
373.09348	11.8
401.11710	2.0
519.12976	3.8
531.11859	1.8
535.12811	7.5
537.15295	5.3
553.13550	1.5
699.17352	100.0
700.17664	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	696.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.4
61.98828	100.0
71.52419	0.6
78.95914	0.9
94.86509	0.3
101.45660	0.3
104.42222	0.3
106.47589	0.3
124.14622	0.4
142.94937	0.3
152.99565	0.3
171.58116	0.4
199.13446	0.4
207.10310	0.6
209.11826	1.3
210.12323	0.6
253.21739	1.7
255.23395	0.7
256.23596	0.6
277.21838	0.4
535.78876	0.3
537.71313	0.4
696.44336	0.8
697.42072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
61.98829	100.0
64.80666	0.4
69.17642	2.8
69.18068	2.6
69.97328	0.6
71.01386	0.8
73.75522	0.5
75.43335	0.5
78.95920	1.4
80.96529	1.8
84.24936	0.5
84.45751	0.5
89.93760	0.5
101.02473	0.7
109.06625	1.4
116.92896	0.7
163.11320	1.0
194.72461	0.5
207.10287	6.1
217.37099	0.5
225.11383	1.9
235.08359	0.8
253.09392	1.2
255.23293	11.0
255.25920	0.7
326.95493	0.5
367.06125	0.5
461.20297	0.7
523.72443	0.6
628.43451	0.6
698.39996	1.2
699.43561	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	698.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
63.99252	0.3
71.52952	0.5
78.95898	1.3
81.03418	0.2
83.02212	0.3
85.02943	0.3
103.13615	0.2
106.57243	0.3
163.59738	0.3
171.10349	0.3
173.04639	0.3
181.53354	0.2
185.11833	0.8
191.05624	0.8
197.11862	0.4
201.11295	1.4
202.11714	0.9
209.11829	0.5
229.17448	0.3
277.21780	0.9
278.22150	0.6
289.18225	1.2
295.23193	0.3
307.19147	2.1
308.19827	0.3
309.20828	0.5
323.34271	0.3
325.20367	1.0
327.21719	3.4
400.92819	0.2
611.38202	0.4
617.40698	0.3
635.42651	0.3
698.37476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98828	100.0
62.98526	0.4
63.99259	0.4
71.01384	0.4
75.91891	0.2
78.95903	1.4
81.75531	0.2
93.03425	0.3
96.96957	0.3
98.20659	0.7
99.04453	0.2
125.09767	0.3
127.11307	0.3
142.76985	0.2
152.99583	0.5
171.10269	0.6
173.04556	0.5
178.44685	0.3
185.11871	0.3
191.05576	1.2
197.11714	0.3
201.11287	4.5
201.12973	0.3
202.11687	1.0
209.11800	1.3
211.13556	0.3
253.09390	0.5
277.21710	1.7
278.22079	1.3
283.81555	0.3
291.19742	1.2
307.19077	2.1
309.20706	3.4
325.20197	2.1
327.21793	1.7
457.71475	0.2
644.48297	0.4
698.36774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68072	0.2
59.01376	0.2
61.98827	100.0
62.98530	0.3
63.99280	0.3
71.01383	0.5
71.52515	0.3
73.02955	0.5
78.95889	0.9
80.96478	0.2
83.31625	0.2
89.02399	0.2
91.44120	0.2
94.13583	0.2
96.96038	0.3
109.06596	0.2
116.46190	0.2
125.09749	0.2
127.11333	0.2
133.02965	0.9
135.04550	0.3
135.22983	0.2
140.01205	0.3
152.99542	0.2
155.10808	0.5
161.02432	2.6
171.10277	1.9
185.11807	0.2
191.05675	0.3
197.11935	0.3
199.09758	2.6
200.10159	0.9
201.11438	0.2
207.10300	0.5
209.11812	1.1
225.11304	1.2
251.20279	0.3
253.21626	0.2
255.23222	1.5
277.21732	1.3
278.22131	1.0
289.18140	0.4
291.19659	0.9
305.17505	1.9
306.17776	0.2
307.19138	1.5
309.20828	0.8
323.18692	1.1
325.20016	0.4
327.21786	0.4
435.18924	0.3
436.19159	0.3
615.38757	0.3
633.37958	4.2
634.38739	1.0
660.38562	0.7
678.40002	0.7
679.40558	0.3
696.40546	0.7
726.92542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59755	0.1
59.01378	0.5
59.11818	0.1
61.98827	100.0
62.98533	0.2
68.58770	0.1
69.43375	0.9
78.00661	0.1
78.95913	0.2
83.44440	0.1
86.42507	0.1
125.73797	0.1
136.88507	0.1
172.50285	0.1
191.05586	0.3
209.11798	0.5
210.12201	0.2
211.13414	0.6
212.13744	0.3
260.19122	0.1
471.34921	0.2
472.35138	0.6
473.35336	0.6
474.35446	0.7
619.31281	0.3
649.25824	0.1
696.33459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94302	0.1
61.98828	100.0
62.70045	0.1
62.98528	0.1
69.30756	0.7
69.31165	0.2
92.05676	0.1
94.18364	0.1
100.03349	0.1
114.75349	0.1
125.09706	0.1
127.07668	0.2
153.09218	0.2
155.89708	0.1
161.75388	0.1
163.11305	0.2
171.10278	0.3
185.11848	0.2
197.11884	0.3
209.11826	1.2
209.26735	0.1
225.11409	0.1
238.12134	0.2
245.19073	0.2
289.18057	1.5
290.18524	0.1
307.19104	4.7
308.19632	0.4
325.20187	4.3
326.20587	0.4
404.67676	0.1
615.39099	0.3
633.40234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39147	0.3
59.01359	0.2
61.98830	100.0
71.52962	0.4
77.99899	0.3
78.91889	0.3
78.95923	1.0
128.05316	0.2
152.99594	0.3
159.80281	0.3
168.43872	0.2
171.10251	1.2
181.12323	0.3
199.09776	0.4
201.11298	0.5
207.10223	0.6
209.11848	0.8
225.11299	1.0
251.20273	0.4
252.20570	0.3
253.21759	0.4
255.23343	1.2
281.97870	0.3
291.19656	0.7
305.17542	1.5
309.20703	1.4
323.18497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13903	0.2
59.01368	0.3
60.08554	0.2
61.98827	100.0
65.21157	0.2
71.52248	0.2
73.91289	0.2
78.95917	0.3
84.58150	0.2
139.07700	0.2
152.99547	0.3
169.08679	0.2
171.10347	0.5
176.23450	0.2
199.09807	0.3
207.10243	0.3
207.99573	0.2
209.11806	0.3
225.11368	0.5
253.21771	0.5
255.23492	0.2
277.21613	0.3
291.19760	0.8
305.17654	0.9
309.20682	4.4
310.21255	0.3
357.36871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68140	0.3
56.44031	0.2
59.01369	0.3
61.68652	0.2
61.98829	100.0
64.56540	0.2
71.75347	0.2
78.95909	0.6
98.26531	0.3
117.03482	0.4
145.02960	0.9
171.10278	0.9
185.11847	0.4
191.05643	0.5
206.78101	0.3
363.42157	0.2
507.25040	0.3
633.38373	0.7
697.25555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90554	0.3
59.01376	0.4
61.98829	100.0
64.78448	0.3
78.95912	0.4
98.20674	0.5
107.05031	0.3
133.02956	1.1
134.03737	1.3
135.04526	16.9
136.04886	0.8
137.02441	0.4
148.05298	2.3
161.02419	3.2
179.03485	11.9
180.03854	0.7
185.21603	0.3
209.11833	0.3
224.73056	0.3
229.04990	0.3
290.94409	0.2
294.94412	0.3
307.79919	0.2
414.20990	0.3
453.33691	1.7
454.34256	0.3
633.37927	42.9
634.38269	9.3
715.81329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27514	0.2
61.98830	100.0
62.98530	0.3
71.01081	0.6
99.98421	0.2
117.04427	0.2
133.63774	0.3
135.04477	0.3
161.56610	0.3
179.03513	0.3
253.08638	0.3
348.66406	0.3
491.65271	0.3
506.29947	0.3
582.37079	0.3
633.38330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06271	0.3
59.01375	0.9
60.78724	0.2
61.95148	0.3
61.98829	100.0
70.09793	0.2
70.93147	0.4
70.93488	0.4
71.01405	0.4
73.02941	0.4
74.96523	0.2
77.30010	0.3
78.95909	2.8
85.02934	0.3
100.61552	0.3
109.02986	0.3
109.06598	0.7
137.09671	0.3
140.01210	0.9
163.11342	0.8
164.66809	0.3
171.10262	5.2
172.10727	0.4
181.08723	0.3
185.11786	0.3
191.05559	0.4
193.34015	0.3
196.03864	0.4
199.09705	3.0
200.10095	0.9
201.11386	1.1
207.10255	1.3
209.11784	1.5
211.13506	0.3
225.11314	3.0
235.08269	0.6
237.14687	0.3
243.12308	0.5
250.98798	0.3
251.20062	0.6
253.09409	0.5
253.21736	0.5
255.23288	5.1
256.23679	0.5
277.21698	4.0
278.22067	3.1
296.29706	0.3
307.19156	2.6
321.42355	0.3
322.81021	0.3
325.20377	1.2
409.96280	0.3
452.28128	0.6
587.11743	0.3
606.38165	0.9
615.39374	0.5
633.40997	0.5
660.39343	0.7
678.39575	1.5
679.40912	0.5
696.41217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30246	0.3
56.38658	0.2
58.58086	0.2
59.20187	0.2
61.12491	0.2
61.98827	100.0
69.39756	1.8
72.18401	0.3
78.95921	0.5
102.47855	0.2
103.05825	0.3
145.02994	0.2
171.10266	1.0
181.86435	0.2
191.05692	0.4
204.11142	0.2
209.11864	0.3
211.13385	0.3
217.04869	0.3
289.18176	0.6
307.19022	0.3
325.20071	0.4
396.48099	0.3
461.16913	0.3
590.18372	0.3
631.93317	0.3
633.38538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98828	100.0
67.90569	0.3
69.03468	0.6
70.38499	0.8
70.38893	0.7
78.95913	0.5
79.08272	0.3
87.29664	0.4
95.39996	0.3
97.22397	0.3
100.63994	0.4
131.50058	0.4
135.23338	0.4
158.40005	0.3
209.18649	0.4
688.51367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.87159	0.1
61.98827	100.0
71.52543	0.2
78.95909	0.5
83.05067	0.1
88.41685	0.1
90.72117	0.2
91.45470	0.1
93.03485	0.3
100.59435	0.1
142.03482	0.1
173.04570	0.2
191.05579	1.0
201.11330	0.2
209.11905	0.3
223.13425	0.3
255.23341	0.3
293.21057	0.3
315.15836	0.1
335.35123	0.1
540.50830	0.2
552.98676	0.1
624.50726	0.2
697.32751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57069	0.3
54.76057	0.3
57.40252	0.3
59.01384	0.5
60.17714	0.3
61.98829	100.0
62.98539	0.4
66.32681	0.4
69.19908	0.3
71.01379	0.3
71.07122	0.7
74.32497	0.3
78.95886	0.7
124.91711	0.3
125.09699	0.5
148.04951	0.3
152.99623	0.4
154.67149	0.3
168.74730	0.3
191.05534	1.5
192.05846	0.3
201.11299	5.4
209.04649	0.3
209.11920	0.9
220.17343	0.4
249.18797	0.4
250.18997	0.6
253.09352	1.0
255.23367	0.5
277.21683	2.9
282.04291	0.3
307.19257	0.4
325.12961	0.3
325.20334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06187	0.3
59.01367	0.3
61.98828	100.0
69.20078	1.2
69.20505	1.7
71.01389	0.6
73.02936	0.3
78.95899	1.6
79.97791	0.3
82.56664	0.3
92.71729	0.3
107.95490	0.3
109.06522	0.4
114.15967	0.3
116.92852	0.6
119.32314	0.3
124.55219	0.3
133.02971	2.2
135.04488	0.7
137.02414	0.4
140.01259	0.6
161.02435	9.7
162.02789	0.6
171.10252	1.9
178.20865	0.3
185.11905	0.3
191.05580	0.5
196.03815	0.4
199.09775	1.1
207.10274	0.6
209.11835	1.0
225.11304	2.0
251.20161	1.1
253.09225	0.6
255.23262	3.9
277.21780	0.8
283.59616	0.3
374.38379	0.3
391.88028	0.3
442.29352	0.4
476.81979	0.3
633.37903	20.8
634.38287	4.4
660.39075	1.4
678.39801	1.9
679.40656	0.6
696.40802	0.4
697.37457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65290	0.1
53.37814	0.2
59.01368	0.8
60.99393	0.2
61.54340	0.2
67.01897	0.2
71.01382	0.6
71.28989	0.2
72.24948	0.1
81.03434	0.2
82.57890	0.1
83.05018	0.3
85.02941	5.8
85.49931	0.1
87.00877	1.3
93.03449	2.6
99.04514	0.4
109.02921	0.3
111.04531	0.9
111.05764	0.2
114.27019	0.2
127.04008	1.7
133.02934	0.3
135.04530	1.0
155.03482	0.2
161.02435	1.7
171.03050	0.4
173.04498	0.9
179.03474	0.7
191.05595	100.0
192.03247	0.2
192.05936	4.1
296.99966	0.1
353.08713	14.0
354.09103	1.3
406.62357	0.2
524.04773	0.2
695.18604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51339	0.2
55.88229	0.2
57.37189	0.2
57.47522	0.2
59.01371	0.6
67.01855	0.3
69.24918	2.1
69.25252	0.4
70.57852	0.2
71.01351	0.5
83.05074	0.3
85.02950	5.6
87.00871	1.0
93.03455	2.3
98.20660	0.5
99.04521	0.3
109.02949	0.7
111.04509	0.8
127.03994	1.4
133.02953	0.6
135.04526	0.8
161.02405	1.5
162.68654	0.2
163.04050	0.5
171.02934	0.4
173.04543	1.0
179.03494	0.8
187.25105	0.2
191.05603	100.0
192.05957	4.0
195.05000	0.3
341.08801	0.4
353.08749	15.8
354.09061	1.0
690.40265	0.3
707.41071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01711	1.1
61.46124	0.5
61.98831	16.0
62.94194	0.5
67.03606	0.5
67.38651	0.4
69.14474	0.8
69.14872	3.9
69.19643	0.5
77.63311	0.4
78.95904	14.9
79.74158	0.4
80.96526	1.4
89.79028	0.5
96.97079	0.4
149.00076	0.5
152.99591	1.2
193.82637	0.6
205.15970	0.9
209.11792	0.7
250.85884	0.5
256.23779	0.7
277.22073	0.6
279.23230	1.0
359.51193	0.6
695.30933	52.5
696.31421	10.2
711.14075	0.5
713.99237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.2
59.01384	6.3
66.04257	1.3
69.27069	11.9
71.01379	8.6
72.99299	2.9
75.00865	20.6
78.10635	1.4
85.02946	15.4
87.00872	5.3
87.27998	1.3
89.02446	3.7
93.03442	4.6
98.03323	1.5
99.00894	7.2
111.00824	1.6
119.05026	60.4
119.27198	1.2
120.05354	2.5
127.03992	1.3
129.01935	21.1
135.04486	6.1
145.02811	1.9
159.02950	7.7
161.02464	3.6
163.03999	93.4
164.04333	4.2
171.03026	1.7
177.01968	6.6
177.04013	13.6
178.02249	1.8
179.03465	3.8
182.89581	1.4
191.05600	71.7
192.05913	4.1
195.05086	93.4
196.05354	2.9
257.86002	1.3
270.65976	1.7
341.08716	100.0
342.09039	8.3
346.27328	1.4
353.08743	8.5
368.77979	1.5
500.50266	1.4
554.96301	1.4
571.38336	1.7
609.55530	1.3
621.18951	1.5
695.18628	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	694.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98829	100.0
78.95914	0.6
94.92548	0.2
109.00928	0.2
125.09769	0.3
161.63490	0.3
171.10280	0.4
185.11839	0.5
191.05658	1.3
197.11899	0.4
199.09767	0.9
209.11890	0.9
225.11310	0.3
235.08034	0.3
243.78093	0.2
255.23257	0.3
277.21722	2.2
289.18134	0.5
305.17535	1.9
307.19128	0.4
323.18655	0.5
404.58398	0.3
595.37140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63390	0.6
56.06050	0.6
59.01350	0.7
61.98828	52.9
62.96415	0.7
67.39021	0.6
78.95903	19.3
80.02684	2.2
81.03455	2.3
83.05020	9.2
84.02180	1.3
88.27995	0.5
90.67392	0.5
95.05016	1.0
96.96972	0.9
113.29885	0.6
122.00124	2.2
125.06071	1.0
135.08153	1.8
140.01170	8.3
145.18605	0.6
147.89941	0.7
149.97252	0.6
152.99583	1.0
163.11285	7.7
165.12814	5.1
191.10754	1.8
196.03772	5.7
199.13365	1.2
209.11813	100.0
210.12218	5.3
227.12857	26.9
228.13170	1.4
252.78142	0.7
255.23280	64.0
256.23630	3.9
277.21732	1.3
352.92279	0.8
406.16199	1.4
424.61777	0.7
434.26874	0.9
438.19022	0.9
452.27670	4.8
456.20142	0.8
564.30530	0.7
662.40326	16.2
663.40546	2.5
694.42938	51.7
695.43414	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	694.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
59.47363	0.1
60.55644	0.1
61.98829	100.0
62.98517	0.1
78.95901	0.2
125.09702	0.2
153.09219	0.3
163.11272	0.3
165.78160	0.1
170.76750	0.1
171.10321	0.4
185.11827	0.2
191.05632	0.6
197.11879	0.2
199.09769	0.4
202.33383	0.1
207.10156	0.2
209.11800	1.6
213.00688	0.1
225.11320	0.3
242.95377	0.2
245.19214	0.2
248.63673	0.2
261.18463	0.2
265.56204	0.1
277.21738	0.4
287.16360	0.2
289.18118	2.1
305.17563	3.0
305.20813	0.2
306.18039	0.4
307.19086	3.1
308.19485	0.3
323.18658	1.4
324.19049	0.2
325.20251	1.4
441.26215	0.1
480.82108	0.1
613.37402	0.2
695.40112	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.1
61.98828	100.0
62.98531	0.2
100.51572	0.1
135.08177	0.2
153.09213	0.2
185.11911	0.2
187.76888	0.2
191.05649	0.6
199.09782	0.4
209.11853	1.6
225.11057	0.2
277.21796	0.8
289.18198	0.2
305.17593	2.7
306.18143	0.2
307.19254	0.6
323.18631	2.3
324.18710	0.2
325.20248	0.6
378.38602	0.1
595.36090	0.2
613.37836	0.9
631.38733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29670	0.3
59.01377	30.3
60.01715	0.3
63.20013	0.3
71.01371	0.5
71.15854	0.5
78.95872	0.3
79.92628	0.3
85.02965	0.5
89.02390	0.4
101.02434	1.2
113.02418	0.9
118.82639	0.3
119.03515	0.9
141.43535	0.3
141.85703	0.3
147.20256	0.3
161.04543	0.5
191.05603	0.5
209.11821	3.2
211.13371	4.3
220.44119	0.3
221.06546	0.5
227.12943	0.9
253.09520	0.5
328.81900	0.3
358.75089	0.3
393.31479	0.6
444.10724	0.3
447.22339	0.4
471.34766	100.0
472.35107	17.0
485.36530	0.5
633.39398	1.1
661.28064	0.4
693.32507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68872	0.3
57.97517	0.3
59.01378	33.0
60.01705	0.4
61.98833	1.3
62.29762	0.3
67.47418	0.2
71.01387	0.3
71.10777	0.6
78.95902	0.8
85.02927	0.3
89.02426	0.3
101.02430	0.6
113.02424	0.4
115.34955	0.3
119.03468	0.5
119.53260	0.3
128.40921	0.3
134.88321	0.3
171.10255	0.9
183.06693	0.3
191.05630	1.3
207.10269	0.3
209.11841	0.7
211.13438	1.5
227.13005	0.3
288.51453	0.3
471.34766	100.0
472.35141	14.8
564.96808	0.3
633.39923	0.9
664.64899	0.3
693.42877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74314	3.6
53.95940	3.8
59.01380	29.1
61.98830	8.8
70.84924	8.4
78.95903	6.5
90.86690	3.4
92.25469	3.4
101.02473	4.4
143.53996	4.0
188.89793	4.3
191.05670	6.3
197.49376	3.6
209.11815	70.8
210.12134	5.4
211.13390	100.0
224.31865	3.7
227.12869	20.2
235.08212	5.8
253.09421	9.9
295.22824	8.9
337.99957	3.7
447.22049	18.1
471.34790	89.7
472.34958	13.9
620.12769	4.3
693.32697	21.4
694.32886	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	692.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
62.98524	0.2
69.03444	0.1
78.95910	0.5
94.80170	0.1
98.20672	0.2
107.05067	0.2
119.61211	0.1
125.09741	0.2
135.08145	0.2
152.99582	0.3
153.09271	0.3
161.09781	0.1
163.11281	0.2
168.42799	0.1
177.05484	0.2
185.11890	0.2
191.05605	0.2
197.11826	1.0
207.10191	0.1
209.11827	1.9
210.12083	0.2
225.11339	0.4
277.21695	0.8
278.22253	0.2
287.16620	0.4
305.17566	4.2
306.17972	0.2
310.80188	0.1
323.18649	2.9
324.19070	0.4
361.60144	0.1
593.35175	0.5
611.36047	0.6
629.37360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96496	0.7
57.03422	0.8
59.01385	4.3
60.99296	2.5
61.98819	1.6
66.28999	0.8
67.01888	8.5
69.03446	3.2
69.52368	1.7
69.52773	3.1
71.01373	5.0
73.02980	0.8
76.69914	0.8
81.03460	2.5
83.05032	2.5
85.02943	12.6
87.00873	11.5
89.02467	1.0
93.03456	68.1
94.03757	1.5
96.96033	2.3
99.00895	1.4
99.04519	2.3
101.02415	1.0
104.80554	0.8
105.03426	2.3
107.05006	1.0
108.02187	0.8
109.02929	3.8
111.04507	9.6
113.02441	2.2
120.68259	0.8
122.49949	0.8
125.02402	2.5
127.03993	2.6
129.01923	1.4
132.02147	6.8
133.02957	17.1
134.03706	3.1
135.04523	14.0
137.02420	2.0
143.03494	1.6
146.03737	1.3
151.04010	1.5
155.03496	1.7
160.01653	14.9
161.02437	6.0
161.06143	1.4
162.03140	1.9
169.01367	2.5
173.04539	27.6
177.01900	5.9
177.05525	2.1
178.02658	2.2
179.03510	7.8
185.02423	2.2
191.05600	100.0
192.05931	3.2
193.05051	7.6
215.05580	3.5
220.03722	2.3
241.05069	1.1
243.27303	1.0
271.09753	1.5
321.07730	2.9
339.08694	7.9
351.07153	14.6
352.18176	0.9
367.10220	5.2
381.09744	5.5
451.90387	0.9
501.14108	13.9
502.14597	1.6
513.14020	23.5
513.21545	1.5
514.14069	1.6
519.14850	1.6
547.16913	1.1
581.99756	0.8
693.20496	53.3
694.20673	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	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88477	0.8
54.81024	0.8
55.70175	0.7
61.98830	5.0
62.03700	0.7
62.22249	0.8
62.22554	0.8
70.58257	2.4
78.95898	44.7
80.02666	2.4
80.08058	0.8
81.03441	2.3
83.05017	8.2
84.02161	1.4
88.04288	0.7
95.05017	1.5
96.96942	3.4
107.56474	0.8
119.29839	0.9
135.08075	1.0
151.41278	0.7
152.99585	59.8
153.99892	0.9
160.65688	0.7
163.11317	6.4
165.12817	4.5
171.00591	5.3
181.12283	1.3
189.73717	0.7
191.10736	1.1
200.73599	0.7
205.75418	0.9
209.11818	100.0
210.12126	3.9
227.03250	4.6
227.12830	10.8
228.13139	1.0
245.04297	1.5
253.21712	23.1
254.22003	2.5
363.12045	8.5
437.15686	6.1
455.16827	93.2
456.17230	8.9
483.27576	1.5
512.13947	0.8
691.38208	70.1
692.38434	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	691.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44740	1.9
59.01364	7.9
61.38404	2.4
61.98816	2.8
68.47889	1.8
71.34151	1.9
78.95903	51.6
79.95757	2.5
80.96555	2.8
81.03471	2.3
83.05007	2.8
91.56532	2.4
96.96942	4.8
97.02924	6.6
109.05908	3.0
109.06592	40.2
110.03712	2.8
110.06949	2.1
121.06582	3.4
122.97569	5.8
126.91082	2.1
135.08119	5.7
150.97047	2.9
152.98434	2.2
152.99582	35.6
153.90244	2.1
159.49892	1.9
159.95906	2.3
161.09688	2.4
163.11293	22.3
169.51280	2.2
171.00656	6.4
181.12383	4.7
187.01665	2.2
207.08369	3.8
207.10252	60.9
209.11731	2.7
225.11308	54.7
226.11659	4.4
255.23279	54.9
256.23590	5.0
277.21658	11.4
405.97205	2.6
413.21136	5.4
431.22079	2.0
435.14169	3.7
455.16724	5.3
483.27072	6.3
691.38257	100.0
692.38824	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	691.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98833	1.9
63.71673	0.6
70.12688	2.6
78.95904	100.0
79.14921	0.6
83.05033	2.5
96.96957	7.8
113.09756	1.3
117.03459	0.7
120.11985	0.6
134.98581	0.8
145.02924	5.3
150.98088	0.7
152.99580	53.6
153.99924	0.7
155.00208	0.8
163.11249	1.9
165.12868	1.1
171.00639	1.2
191.05688	1.5
195.13905	11.0
196.14088	0.8
207.10246	1.0
209.11826	27.7
210.12093	1.8
211.13429	1.4
227.12852	4.4
277.21725	12.1
293.21219	1.3
295.22766	34.2
296.23199	4.1
363.12216	6.8
364.12546	0.8
381.13135	0.8
395.14615	5.5
431.21997	22.4
431.27914	1.3
432.22302	2.1
449.23166	7.6
450.23401	1.0
633.38599	1.3
655.35773	0.9
659.35620	42.6
660.36090	9.2
691.38403	20.4
692.38745	3.8
723.08655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
58.11177	0.7
59.01379	7.7
61.98821	4.6
69.03445	0.8
70.68114	2.4
71.01379	12.1
71.05033	0.7
73.02950	2.2
78.95891	2.1
80.02674	0.8
81.03457	2.2
83.01365	2.0
83.05014	5.6
84.02149	1.4
85.02949	3.5
87.00882	2.0
89.02432	3.6
93.03440	2.4
95.05017	1.9
96.41189	0.7
97.06581	6.2
99.00849	1.1
101.02431	6.7
103.69560	0.7
106.40166	0.7
109.06573	2.1
111.94841	0.8
113.02441	3.1
119.03512	0.9
120.22780	0.8
120.37630	0.7
125.09766	1.2
127.35370	0.7
133.03035	0.8
135.04507	1.7
145.05130	0.8
151.11276	18.0
152.99519	1.3
161.04550	1.6
163.11275	5.4
165.12814	2.6
169.12338	74.4
170.12607	2.9
171.10225	3.8
172.10652	0.7
173.04630	1.0
179.05722	1.3
181.12442	0.9
191.05580	5.8
191.10806	1.1
192.06061	0.8
195.10248	3.4
197.11838	1.2
199.13446	0.8
207.10251	2.8
209.11821	72.5
210.12126	5.8
211.13414	6.3
213.11299	9.5
225.11287	1.9
227.12894	7.2
228.13051	1.0
235.08182	1.5
253.09293	6.8
265.09836	1.0
292.58362	0.8
312.39081	1.0
329.25125	0.9
342.99042	0.8
401.23660	1.6
431.19226	2.4
449.20251	5.4
450.20407	0.9
609.32489	0.9
619.30695	1.7
637.32465	5.8
638.32770	1.0
641.32190	1.7
642.31250	1.0
655.33240	1.8
659.32837	100.0
660.33215	17.3
691.35883	5.7
692.34631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72422	0.3
58.00598	1.0
59.01378	17.9
61.98821	1.2
69.03442	1.1
71.01378	14.3
71.10746	0.7
72.99296	1.2
73.02930	1.6
81.03474	0.6
83.01376	1.2
85.02946	2.5
86.00124	0.3
87.00880	2.9
89.02444	12.8
93.03448	0.3
95.01379	0.6
97.02950	2.0
97.36227	0.3
99.00861	1.0
101.02439	10.2
109.02950	0.4
113.02438	4.7
119.03489	3.6
125.02458	3.8
131.03537	0.7
134.56689	0.3
139.04042	0.5
141.01904	0.4
141.09258	0.3
143.03506	2.0
149.04501	0.4
159.78979	0.3
161.04591	2.3
162.12697	0.3
169.01454	0.3
171.10233	1.0
179.05629	3.4
179.14388	0.4
185.04539	0.4
191.05637	0.8
195.13908	7.5
196.14485	0.9
201.11366	0.4
205.12337	0.7
205.15991	0.5
209.11760	0.9
211.13382	2.0
221.06689	0.6
223.13399	5.1
228.13614	0.7
231.21275	0.5
235.08224	3.7
253.09236	1.2
256.13144	1.0
257.18903	0.3
263.07602	0.6
273.86282	0.4
275.20148	3.5
276.20526	0.6
287.07602	0.8
293.21213	100.0
294.21524	9.1
305.08755	0.6
393.40848	0.3
397.13480	20.6
398.13828	1.8
415.14545	22.2
416.14807	1.9
691.35156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.4
61.98827	25.6
63.20865	3.0
67.35874	3.4
71.01378	82.4
73.02941	5.4
75.00851	5.9
78.15325	3.3
78.95895	9.5
83.04982	5.7
85.02947	8.1
87.00856	4.2
89.02425	11.8
93.03448	6.7
97.02958	5.3
101.02432	11.3
109.06581	14.4
113.02428	9.1
125.02428	4.6
125.09714	10.0
135.04515	7.9
152.99603	5.2
154.27443	3.4
161.04636	4.1
163.11279	7.7
171.10277	39.8
172.10706	4.7
179.03468	5.3
181.12280	7.0
183.13896	9.0
185.11908	5.7
191.05583	26.2
192.05862	4.0
197.11668	4.5
197.37238	3.5
199.09767	7.1
201.11279	11.8
207.10278	38.2
209.11858	22.9
210.12209	3.9
211.13387	100.0
212.13655	3.5
225.11247	26.4
226.11432	3.6
227.12888	5.9
235.08115	5.4
253.09288	15.5
293.21249	20.7
335.13904	8.6
375.21701	3.7
383.22241	8.5
391.24765	4.1
397.13266	9.3
401.23181	20.4
415.14392	9.0
419.24332	9.2
447.22021	4.0
455.92731	4.8
459.15369	5.8
461.20200	7.0
490.27954	3.7
609.32520	4.4
619.31219	24.9
637.22510	6.8
637.32208	77.1
638.32446	12.0
655.33514	31.9
656.33209	6.2
659.33533	8.5
673.33362	4.5
691.32275	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87814	0.6
59.01369	3.8
61.98826	2.2
68.99560	2.5
69.52717	1.7
69.53127	1.6
71.01369	2.8
73.02947	0.6
80.02682	0.9
81.03454	1.8
81.48750	0.7
83.05032	4.7
83.32989	0.6
85.02945	2.7
87.00863	1.4
89.02438	2.1
92.89046	0.6
93.03456	2.3
97.02930	0.7
98.19908	1.1
101.02427	2.9
109.02925	0.7
111.04512	0.7
112.37509	0.5
112.98537	2.0
113.02448	1.0
125.02466	0.6
125.05997	0.6
125.09673	0.9
127.11252	1.6
128.64751	0.6
133.02921	0.6
135.04547	0.9
136.01494	0.6
137.02423	1.0
149.02444	0.8
150.03209	1.1
155.10658	0.6
161.02437	1.3
161.04593	1.2
163.11267	3.6
165.05553	2.1
165.12807	1.9
169.01443	0.7
171.10260	2.3
172.10631	0.9
173.04530	1.9
179.03459	0.6
181.12367	0.6
191.03987	1.0
191.05620	13.4
191.10788	1.3
192.05914	1.6
195.06641	0.9
201.11325	23.2
202.11655	1.4
209.11821	100.0
210.12140	7.2
227.12906	12.6
228.13322	0.8
235.08211	2.4
253.05096	0.6
253.09286	10.1
271.02527	0.6
279.11282	0.8
299.01996	1.7
437.20355	1.4
445.07944	1.8
445.20740	1.9
637.31976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	11.8
61.98831	68.8
68.76143	7.8
71.01379	12.4
78.95903	85.9
85.02971	8.7
88.98799	14.3
96.96957	13.1
98.20747	16.6
109.06567	13.2
121.02899	7.2
146.04573	15.5
152.99623	23.6
163.11243	18.6
191.05573	20.1
207.10268	68.2
209.11668	13.9
211.13393	100.0
212.13675	13.2
214.75868	9.0
221.23750	8.5
225.11360	44.8
235.08165	10.4
253.09224	17.3
372.75446	8.9
383.22470	11.3
401.23364	20.0
461.20087	19.3
497.18445	9.3
609.32953	13.4
637.23267	10.1
637.32434	72.3
638.32294	15.2
655.33185	68.2
656.33289	15.6
691.33282	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16053	6.5
52.46050	9.4
59.01362	14.1
61.98825	49.5
64.84763	8.4
68.93398	7.9
70.07220	7.3
71.01388	15.3
78.95899	100.0
94.85947	9.5
95.12909	9.3
98.20641	22.3
109.06583	25.8
125.55113	7.7
135.04532	8.2
152.98378	7.8
152.99574	33.1
163.11288	11.1
191.05635	26.5
207.10226	72.8
209.11847	92.6
210.12149	13.1
211.13362	78.0
225.11317	47.9
225.13298	8.5
227.12738	15.6
229.28928	9.0
253.09282	13.5
383.22061	11.3
401.23141	26.7
461.20377	22.3
582.53516	9.9
637.32263	84.1
655.33246	71.3
656.32648	9.1
691.32684	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	0.4
59.01380	1.0
60.99286	0.5
63.88643	0.3
65.46001	0.4
67.01881	1.7
69.67970	2.2
71.01382	2.0
83.05032	0.5
85.02946	8.3
87.00870	3.6
89.68965	0.4
93.03453	12.3
93.04022	0.7
99.00848	0.6
99.04533	0.4
105.99426	0.4
108.02190	1.4
109.02949	3.0
111.04513	2.3
112.52299	0.4
115.00362	2.2
119.05054	0.9
122.03766	0.7
127.04009	2.0
129.01894	0.6
133.02982	0.8
135.04533	1.6
137.02472	0.5
155.03432	0.6
161.02434	1.5
171.02997	0.8
173.04533	8.7
174.04901	0.6
179.03542	1.8
191.05602	100.0
192.05966	3.9
226.06342	1.8
227.07074	3.6
230.37465	0.4
253.08842	0.4
255.10255	9.9
281.08090	1.1
289.05716	0.9
307.06091	1.2
343.08197	3.1
353.08722	11.8
353.13034	0.7
354.09048	0.7
375.38885	0.4
463.10825	1.2
499.12375	0.6
517.13342	7.5
518.14124	0.5
691.18762	23.8
692.19135	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	691.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62432	1.7
69.42587	11.8
69.42994	3.2
85.02974	8.5
87.00842	1.8
93.03454	7.3
109.02914	2.1
111.04468	2.5
119.05016	1.9
126.08516	1.5
127.04037	2.9
130.15088	1.9
161.02335	2.3
171.03046	2.0
173.04572	4.1
191.05602	100.0
192.05956	2.9
281.04611	3.2
314.68182	1.9
325.03839	1.9
337.09232	1.7
353.08780	10.7
517.13269	2.2
526.93695	1.8
632.19958	2.1
673.84528	1.8
691.19171	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	691.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18874	0.4
59.01383	1.2
60.99299	0.8
67.01878	1.7
71.01366	2.4
71.26136	0.8
72.66234	0.4
81.03450	1.1
83.05029	0.9
85.02951	10.7
87.00874	3.7
93.03458	13.3
108.02200	1.4
109.02943	3.8
110.23683	0.4
111.04506	3.6
115.00404	2.1
119.05029	2.9
127.04000	2.1
133.02948	0.6
134.03734	0.5
135.04520	8.6
137.02437	1.2
155.03505	1.5
161.02449	1.5
161.06114	0.6
163.04010	3.7
171.02994	0.7
173.04543	8.7
179.03458	5.7
191.05602	100.0
192.05980	3.0
226.06331	1.7
227.07150	5.0
239.07025	0.6
253.08656	0.8
255.10208	8.9
256.10522	0.4
281.08099	1.0
289.05688	0.7
310.56412	0.5
325.07077	0.5
337.08984	1.2
343.08270	4.7
353.08762	4.7
463.11011	1.1
473.14417	0.5
499.12265	1.0
500.12607	0.6
517.13611	6.9
518.13831	0.5
533.08099	0.5
547.80737	0.5
552.17145	0.5
691.18726	29.5
692.18860	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	691.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01382	1.3
60.99290	0.9
67.01898	1.7
69.03455	0.5
69.62218	0.3
69.68387	2.0
70.02773	0.3
71.01385	2.4
71.72298	0.3
72.74078	0.3
74.21250	0.3
79.04322	0.3
80.70464	0.4
81.03455	0.7
83.05033	0.9
85.02945	10.8
87.00864	4.8
93.02866	0.6
93.03460	12.0
93.68047	0.4
98.20779	0.3
108.02183	0.7
109.02928	2.1
111.04510	2.4
115.00359	1.3
119.04987	0.8
127.03988	2.3
129.01962	0.4
135.04524	1.6
137.02452	0.5
153.01735	0.3
155.03529	0.9
161.02448	0.4
163.03967	0.7
171.03038	0.5
173.04546	8.2
179.03450	0.4
191.05603	100.0
192.05959	3.6
224.05641	0.3
225.05562	0.7
226.06335	1.2
227.07132	6.2
228.07501	0.6
232.64960	0.3
253.08572	0.3
255.10252	4.4
266.05786	0.4
271.04764	0.3
281.08145	1.3
289.05664	1.3
307.06171	1.5
343.08121	1.1
353.08722	3.0
463.11020	1.5
499.12689	2.0
500.13370	0.6
517.13428	1.6
597.87274	0.4
691.18732	36.4
692.19043	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	691.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11702	0.1
58.04946	0.1
59.01368	0.9
60.99293	0.2
65.03983	0.2
67.01886	0.5
71.01367	0.7
81.03438	0.2
82.40068	0.1
83.05015	0.4
85.02943	6.3
87.00864	1.5
88.07116	0.1
92.19724	0.1
93.03455	3.8
94.90562	0.2
99.00864	0.2
99.04529	0.2
108.02154	0.3
109.02927	1.0
111.04509	0.9
115.00375	0.3
119.05025	0.4
127.03994	1.8
133.02953	0.8
135.04538	1.3
137.02477	0.2
155.03503	0.3
161.02420	2.3
162.02858	0.2
163.03970	0.3
171.02917	0.4
173.04533	2.6
177.01921	0.3
179.03479	1.1
191.05600	100.0
192.05933	3.8
226.06378	0.3
227.07164	0.6
229.51305	0.2
255.10222	1.6
277.03513	0.2
281.08105	0.2
289.05731	0.3
337.09314	0.3
343.08295	0.7
353.08737	18.6
354.09079	1.6
429.27261	0.2
463.11273	0.2
517.13568	1.5
526.10999	0.2
691.18750	3.2
692.18805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
59.43888	0.4
59.78552	0.5
67.01888	0.7
69.17198	4.1
69.17588	1.0
71.01366	0.8
71.84975	0.4
83.05007	0.5
85.02940	5.6
86.03320	0.4
87.00861	1.3
93.03449	4.4
99.04565	0.6
107.34703	0.5
109.02936	0.9
111.04513	2.0
119.05024	17.6
120.05375	1.0
122.82910	0.4
127.04015	1.8
128.04643	0.4
135.04463	2.0
155.03479	1.2
161.02409	1.6
163.04002	37.6
164.04347	1.5
171.02904	0.6
173.04550	3.5
179.03493	1.8
191.05602	100.0
192.05949	3.1
227.07213	1.0
255.10367	1.3
282.78568	0.4
337.09250	12.5
338.09531	0.9
343.08176	0.7
353.08762	9.4
354.08975	0.9
478.64987	0.4
517.13452	1.7
691.18903	4.6
692.19043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
71.41796	1.3
78.95903	35.7
80.02711	1.1
81.03449	2.7
83.05015	2.5
84.02138	0.8
85.59106	0.8
96.96946	3.6
97.02945	4.7
107.05016	1.1
109.06587	32.3
110.03702	2.2
121.06592	2.1
135.08157	3.0
142.02733	1.5
149.21234	0.9
152.99582	50.0
161.09613	1.0
163.10034	1.5
163.11282	15.1
171.00623	3.4
181.12341	5.6
207.10263	40.7
208.10599	2.5
225.11320	25.2
226.11664	2.3
227.03259	3.4
235.21349	0.9
245.04265	1.8
253.21724	23.1
254.21999	1.4
255.23242	2.4
361.10608	8.1
435.14389	6.2
453.15286	100.0
454.15717	9.3
483.27313	1.1
689.36658	39.7
690.36871	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	689.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99136	0.9
57.02016	0.9
59.01369	2.6
61.03748	0.8
61.98827	5.6
71.01382	13.5
71.51798	1.0
75.94653	0.9
78.95903	100.0
80.02689	1.2
81.03462	2.5
83.01358	1.1
83.05025	6.8
84.02174	1.5
85.02936	1.2
88.87908	0.9
89.02432	1.9
95.05014	1.8
96.96951	7.5
101.02405	1.0
102.70609	0.9
106.05296	1.0
109.06577	2.9
116.41642	0.8
125.06087	1.2
125.09716	1.2
125.91594	0.8
127.11333	1.0
134.98517	1.3
135.08139	1.2
143.94846	0.9
152.99580	56.4
153.99944	1.2
163.11261	7.3
165.12852	3.1
165.56670	0.9
167.10783	1.0
171.10252	13.7
172.10626	1.2
181.12363	1.2
191.05583	1.4
191.10764	1.2
195.13925	3.0
197.11769	1.1
199.13339	1.1
201.11316	5.9
207.10275	6.0
209.11818	94.1
210.12093	6.7
211.13362	1.1
223.13481	1.5
225.11285	11.9
227.12852	9.3
228.13162	0.9
230.45372	0.8
236.39896	0.9
253.09239	4.2
293.21225	14.7
294.21518	1.1
342.86072	0.9
363.07990	1.5
363.12134	16.9
364.12320	1.7
381.13141	5.2
395.14752	13.0
396.14737	1.0
413.15808	3.1
429.20413	9.3
445.19510	1.3
447.21487	3.7
461.20218	1.7
496.00604	1.1
568.89282	1.0
653.31616	1.2
657.34045	37.9
658.34387	6.6
671.33447	1.3
689.36597	23.4
690.37177	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
58.00586	0.8
59.01376	7.9
69.03445	0.6
70.66114	0.5
71.01382	43.6
72.99303	0.7
73.02950	3.5
80.02686	1.0
81.03454	1.4
83.05026	5.7
84.02168	1.0
85.02915	3.1
87.00872	2.6
89.02445	2.7
93.03455	0.8
95.01393	1.0
95.05028	1.7
97.02952	2.1
97.06575	0.9
99.00869	1.5
101.02433	4.5
103.23077	0.6
105.03526	0.5
109.02984	0.6
109.06586	5.6
111.04521	1.0
113.02440	2.4
119.03500	0.6
123.08123	0.9
123.14374	0.5
125.06087	0.9
125.09723	2.2
127.11298	1.6
135.04504	0.8
135.08180	0.7
139.07649	1.6
143.03415	0.8
149.09718	0.7
151.11320	0.8
153.09189	0.8
155.10773	1.6
161.04509	1.2
163.11301	7.2
165.12823	2.7
171.10257	38.2
172.10622	1.7
179.10747	0.7
181.12358	2.4
185.11829	2.3
189.09158	1.6
191.05548	3.2
191.10799	0.8
197.11823	1.5
199.09819	0.8
199.13275	1.4
201.11317	20.4
202.11603	0.8
207.10251	15.4
207.12195	0.8
208.10524	0.9
209.11813	100.0
210.12122	5.3
215.12938	1.5
225.11311	27.3
226.11659	1.5
227.12909	10.6
233.11948	0.8
235.08188	4.1
235.13429	0.8
243.12379	1.9
251.12926	1.9
253.09297	11.2
295.10455	1.0
329.38272	0.7
381.96317	0.7
399.21558	1.2
407.19141	0.6
443.19107	1.9
445.20273	0.7
461.20200	5.1
479.21899	0.7
635.30585	1.2
653.31842	3.2
671.33008	3.6
689.33820	6.0
690.34235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.3
61.98820	2.0
63.56574	0.8
71.01382	38.2
71.53613	0.9
72.90988	1.0
73.02946	3.3
73.28887	0.8
75.58951	0.7
78.95904	30.9
81.03455	2.5
83.05021	5.8
84.02155	0.9
85.02953	2.7
87.00864	2.3
89.02454	1.8
92.52180	0.7
93.03455	0.9
95.05028	2.3
96.96959	2.6
97.02952	2.0
99.00876	2.4
101.02464	4.0
109.06602	4.9
110.03738	1.0
113.02445	1.6
125.02444	1.0
125.06048	0.9
125.09692	2.3
127.11322	2.2
134.98491	1.0
135.41937	0.7
143.68611	0.8
152.99574	18.7
155.10690	0.9
161.04533	1.3
163.11282	8.7
165.12828	3.1
171.10274	25.9
172.10623	1.4
173.36977	0.8
179.10768	0.9
179.79135	0.9
181.12297	3.6
185.11896	1.8
191.05544	2.0
191.10794	1.5
195.13773	1.1
195.45677	0.8
197.11823	1.7
199.13408	1.8
199.30835	0.8
201.11304	13.2
207.10249	16.6
209.11821	100.0
210.12187	5.4
211.13437	2.0
215.12810	1.2
220.78796	0.8
223.13429	1.9
225.11311	23.7
226.11604	1.7
227.12877	10.3
235.08208	2.8
243.12291	2.0
251.12779	1.6
253.09203	8.2
291.19693	1.2
293.21179	3.2
361.10260	1.1
363.12064	3.4
381.13071	1.3
383.57193	0.9
395.14670	2.8
399.21799	1.4
413.15552	0.9
429.20285	3.8
447.21368	1.2
458.48975	0.9
461.20230	3.7
653.31073	2.0
657.34167	12.2
658.34375	2.2
671.32599	2.0
689.34998	12.2
690.35004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20736	1.6
56.85829	1.7
61.98824	2.2
69.03459	2.2
78.95486	2.8
78.95906	37.3
96.96952	2.3
98.20670	4.0
115.57046	1.6
127.46716	1.7
129.65500	1.5
133.97873	1.7
136.74704	1.6
152.99580	43.3
153.99884	1.9
167.10826	2.7
171.00624	5.3
179.10727	1.8
179.14377	4.0
195.13936	12.5
205.12291	9.7
212.65813	1.8
223.13387	60.9
224.13713	3.2
227.03230	4.7
253.21703	29.3
254.21883	2.2
255.23233	10.2
322.22620	1.9
325.66672	1.9
359.12756	2.7
397.82849	2.1
419.13150	5.3
433.16232	4.0
451.17380	100.0
452.17841	10.0
481.66284	1.7
483.26984	4.6
687.26508	3.3
687.38397	28.5
688.39044	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	687.3961
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
50.82137	0.4
55.01863	0.6
57.03432	0.5
59.01371	4.8
61.98837	4.1
65.82108	0.5
69.03437	0.7
69.35844	2.4
69.36278	1.6
71.01392	3.8
72.99303	0.6
73.02942	1.0
78.89379	0.5
78.95937	0.5
79.95697	0.7
83.05017	1.2
85.02950	9.1
87.00867	3.1
88.98791	0.7
89.02452	2.1
93.03464	3.6
95.01350	0.7
96.96021	2.6
97.02927	1.2
98.19955	1.2
99.04518	1.1
101.02427	2.0
107.68000	0.5
108.02212	0.6
109.02936	1.3
109.06573	0.8
111.04502	2.2
111.08186	0.7
113.02422	2.0
119.03545	0.9
120.99672	1.3
121.02910	0.7
121.06635	0.7
122.99220	0.6
123.04496	1.0
125.02448	1.2
127.03990	1.9
135.04503	2.4
135.08142	1.2
136.05222	0.7
137.02449	1.2
137.06055	1.1
137.09711	0.9
139.11368	0.6
144.52010	0.5
149.02454	0.7
149.06093	4.3
150.03214	1.2
150.06859	41.6
151.07379	1.6
152.01068	0.8
153.01932	0.8
155.03540	0.5
155.10777	0.9
159.04494	1.0
161.02345	1.0
161.09596	0.6
163.07631	7.6
163.11208	0.5
164.08412	7.9
165.01895	0.8
165.05519	1.3
165.09116	0.9
169.01411	1.5
171.10385	1.0
173.04544	1.7
175.07629	0.7
176.08260	0.7
177.09113	1.6
178.09970	2.4
179.03513	1.0
179.05589	0.7
179.10768	21.9
180.11078	1.5
187.04015	0.7
191.05606	60.6
192.05933	1.1
197.11774	1.1
199.04007	1.2
209.11774	5.0
223.09895	0.8
225.00742	0.8
225.11275	1.0
227.03461	2.0
227.12909	0.6
253.09334	0.6
283.13544	1.1
295.18115	0.6
311.12878	1.1
327.21848	4.4
328.21954	0.8
329.13846	2.0
341.10748	2.8
343.24780	0.9
345.22742	5.3
353.13904	1.3
446.30316	0.8
464.31332	5.8
478.09625	0.7
479.33771	8.6
480.34070	0.8
487.34433	2.2
506.32443	1.6
507.33237	2.8
524.33539	2.3
525.12695	0.7
525.34247	26.6
526.34875	3.7
625.15546	2.7
651.32111	1.9
652.32294	0.8
669.30884	0.7
687.39557	100.0
688.22705	0.9
688.27386	1.0
688.39923	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41144	0.4
57.03437	1.4
59.01373	4.9
60.55245	0.4
67.01887	0.6
69.03439	4.3
71.01379	5.2
71.05011	1.5
73.02951	1.1
80.02673	1.6
81.03456	1.9
83.01390	1.1
83.05019	5.5
84.02170	1.1
85.02937	1.6
87.00884	0.9
89.02451	2.3
90.04159	0.4
93.03477	0.8
95.01425	0.5
95.05013	1.2
97.02968	1.0
97.06593	1.0
101.02444	4.0
108.02126	0.4
109.01912	0.4
109.06595	1.3
111.04504	0.5
113.02461	1.6
119.03461	0.6
123.08165	1.3
125.09733	2.7
133.06544	0.4
135.04549	0.7
135.08159	1.0
137.09729	0.5
139.10304	0.4
149.09735	0.5
151.11263	2.9
153.12805	0.9
161.04552	1.3
161.09689	4.5
163.11304	5.0
165.12834	3.3
171.10236	1.6
179.10780	8.5
180.11050	0.4
181.12332	0.7
191.05617	3.8
191.10785	1.1
197.11812	46.4
198.12189	2.4
199.13344	0.7
205.08783	0.4
207.10262	1.7
209.11810	69.0
210.12138	3.8
219.62764	0.4
223.09703	1.0
225.11327	1.2
227.12895	6.2
235.08127	0.5
241.10794	2.9
249.18307	0.4
253.09239	3.2
365.11386	0.4
459.18854	0.8
477.19800	3.0
499.78922	0.4
525.26837	0.5
669.31091	1.7
687.32257	100.0
688.32642	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	687.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.3
59.01380	14.9
61.98821	3.6
63.34028	1.0
69.03464	2.1
70.94158	1.5
70.94487	1.1
71.01389	9.8
72.99319	1.1
73.02946	2.0
78.95901	12.9
79.29567	0.9
80.02690	1.4
81.03455	3.6
83.05022	4.8
85.02962	5.0
87.00875	2.5
89.02448	4.4
93.03454	1.2
95.01380	1.5
95.05013	1.8
96.96005	2.0
96.96946	1.3
97.02956	7.2
97.06550	1.1
99.00858	2.6
101.02452	7.7
109.06590	35.0
110.03717	1.5
110.06921	1.1
111.04542	1.4
113.02436	3.5
115.59634	0.9
119.03519	2.1
121.06550	1.9
125.02412	1.5
125.09715	1.8
129.01891	1.0
135.04504	1.6
135.08141	3.6
136.05301	1.5
142.02701	1.6
145.05089	1.9
151.11372	1.1
152.99573	6.6
159.10231	1.9
161.04561	2.1
161.09680	1.8
163.09908	1.0
163.11279	19.2
165.12791	1.0
167.14432	1.3
169.01358	1.5
171.10231	7.1
171.84753	1.0
179.05571	1.6
179.10730	1.8
181.12352	5.4
183.13887	9.1
185.11830	2.0
189.09274	2.5
191.05556	2.1
193.12338	2.9
197.11819	2.8
199.13286	1.2
205.08629	2.0
207.10254	85.0
208.10696	5.0
209.11804	20.0
210.12024	1.7
211.13383	100.0
212.13766	6.1
223.09706	3.3
223.13348	3.9
225.11320	41.5
226.11665	2.2
227.12909	1.6
235.08147	6.3
253.09294	11.9
299.15045	1.2
306.52249	0.9
309.20975	1.4
326.15628	0.9
339.23093	2.3
355.23019	1.1
357.24304	1.7
359.12787	1.1
373.23782	4.8
375.21246	1.2
383.22293	5.0
391.24799	4.2
401.23337	11.6
419.24146	5.1
425.40433	1.1
443.19073	6.0
447.22156	2.6
461.20319	14.8
462.20465	1.7
463.20834	1.5
493.27975	1.2
609.32837	3.0
619.31421	1.8
637.32245	30.0
638.32782	4.2
655.21918	1.9
655.33252	36.5
656.33295	5.6
669.31372	1.2
687.33539	8.0
688.33545	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03443	1.4
59.01377	6.4
64.53035	0.6
68.99810	4.1
69.03450	1.7
71.01382	12.1
72.99305	1.2
73.02930	1.2
80.02705	1.3
81.03445	1.7
83.01375	2.0
83.05018	6.3
83.31094	0.6
84.02172	1.0
85.02951	2.5
87.00861	1.6
89.02416	3.0
93.03459	0.6
95.01387	0.8
95.05024	0.6
97.02942	1.5
97.06591	1.8
99.00890	0.6
101.02435	4.0
107.05063	0.9
109.06583	1.2
110.03730	2.6
111.04520	8.2
111.08208	0.7
113.02431	2.7
119.03482	0.6
122.03736	1.0
123.04548	1.4
123.08181	1.1
125.06079	1.4
125.09724	3.6
127.11289	1.0
135.08147	1.8
137.09763	1.0
149.05959	0.7
151.11293	3.2
153.09277	1.7
155.81651	0.6
161.04547	1.4
161.09659	5.0
163.11276	4.5
165.12810	3.2
168.17638	0.7
171.10258	43.3
172.10579	2.2
177.09207	2.6
179.05676	0.8
179.10773	6.2
181.12207	0.7
185.11827	3.1
187.09766	1.0
191.05571	0.9
191.10747	1.3
195.10133	1.2
197.11839	3.4
199.09732	1.0
201.11284	1.6
205.08690	12.1
207.10210	3.6
209.11810	100.0
210.12154	6.4
213.11263	3.6
223.09741	29.1
224.10153	1.6
225.11319	2.4
227.12866	16.3
228.13319	1.1
235.08168	4.9
241.10757	3.7
253.09248	9.3
397.20145	1.3
405.17456	0.9
406.71872	0.7
407.19662	1.4
415.21149	1.8
433.21796	0.8
445.20679	2.0
459.18735	6.0
460.19235	1.4
477.19617	1.6
625.28741	1.0
633.28992	1.0
643.29572	1.1
651.30530	4.1
652.30731	1.0
669.31165	8.1
670.31744	1.4
687.32111	13.1
688.32727	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	687.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39059	0.5
54.70362	0.5
57.76101	0.6
58.43534	0.5
59.01384	3.6
61.98829	1.2
64.38567	0.5
69.03445	0.6
71.01400	3.3
72.99313	0.6
73.02940	0.8
81.31918	0.6
85.02952	1.9
87.00883	1.5
88.02865	0.5
89.02448	1.7
93.03471	1.1
94.56953	0.5
97.02976	0.5
99.00876	0.6
100.30531	0.5
101.02453	2.1
105.03465	1.4
107.05044	0.5
108.02157	1.0
109.02930	1.4
113.02470	1.2
114.14172	0.5
117.03459	1.6
119.03524	1.0
121.02965	1.2
122.03753	1.2
123.04553	1.7
125.02448	1.0
132.02179	2.9
133.02959	37.7
134.03769	6.3
135.04530	21.7
136.04846	0.9
137.02425	2.6
141.52911	0.6
145.02971	1.2
146.03714	5.3
147.04514	1.0
148.05234	0.9
149.02466	1.0
149.06094	5.0
150.03239	3.5
160.01672	1.1
161.02441	100.0
161.05995	2.7
162.02768	3.8
163.04031	1.1
164.04837	3.6
165.05533	3.0
165.48636	0.5
167.07127	5.2
175.03986	1.3
177.05565	4.8
178.02675	1.4
179.03500	19.7
179.05336	0.9
179.05661	0.9
179.07069	5.2
180.03865	0.9
181.04918	0.7
191.05594	5.9
203.03473	0.8
218.21065	0.6
221.04568	8.1
233.08121	0.6
233.37708	0.5
239.12860	1.2
251.05598	6.7
251.09380	0.7
281.06674	11.2
323.07803	1.2
329.12433	4.0
341.08725	11.0
342.09195	1.0
383.13388	0.9
489.14130	2.1
490.14911	5.9
491.15576	4.4
505.17166	2.0
507.18585	1.1
525.18939	1.2
545.16620	9.0
546.16888	1.2
639.20917	2.1
651.20789	3.9
669.21802	14.8
670.22192	2.6
687.22913	18.7
687.34192	1.5
688.23688	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	685.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
59.01369	1.4
61.98812	2.4
65.18675	0.5
69.18221	3.6
69.18631	1.7
71.01347	1.3
85.02959	1.4
87.00858	0.9
89.02410	0.8
93.03403	0.7
97.06580	1.2
99.04523	0.7
111.04488	0.6
111.83344	0.5
121.06550	0.6
121.83710	0.6
123.08154	1.9
125.02415	0.5
135.04471	0.7
136.05307	0.8
137.09718	0.6
149.06097	1.4
150.03229	0.9
150.06856	35.9
151.07214	1.6
162.06886	0.7
163.07623	6.2
164.08426	5.2
165.05537	0.7
176.08350	0.6
177.09248	0.9
178.09923	1.1
179.10777	18.6
180.11075	1.1
191.05656	2.7
209.11726	0.7
229.10765	0.9
291.66040	0.5
292.20358	0.6
320.19852	1.5
327.21838	0.7
335.22318	0.9
341.23102	1.0
343.21259	4.0
364.22620	1.2
441.30539	0.8
459.30832	1.2
462.14609	0.6
462.29721	2.3
476.31906	0.6
477.32117	7.1
504.31076	1.6
505.31567	1.9
508.29962	0.6
522.31726	2.0
523.32758	22.9
524.33038	3.8
578.37854	0.6
685.37970	100.0
686.38312	19.1
704.77551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68002	0.6
59.01373	1.9
60.99713	0.6
61.98822	1.8
71.01385	1.4
73.02940	0.7
83.01357	0.7
83.05073	0.6
85.02940	1.7
87.00854	1.3
89.02428	1.1
93.03451	0.6
97.06590	1.2
101.02442	1.1
111.08098	1.0
123.08162	1.6
133.02948	0.6
135.04561	0.8
135.08083	0.6
149.06042	2.1
150.06856	35.0
150.56514	0.6
151.07283	1.2
152.78659	0.6
157.08624	0.9
161.02470	0.6
161.09660	0.8
162.06877	0.9
163.07634	7.1
164.08408	6.3
165.05479	0.7
167.07121	0.9
171.10289	0.6
178.09930	1.4
179.10774	19.2
180.11134	0.8
187.09711	0.8
191.05583	2.9
193.08434	0.6
229.12633	0.7
261.18503	0.7
313.20160	0.9
320.19836	2.1
327.21545	0.9
335.22397	1.2
338.16953	0.7
340.54651	0.7
341.23059	0.7
343.21527	3.4
364.22604	2.5
441.29742	1.3
459.31207	1.3
462.29807	2.6
477.32254	4.2
493.30688	0.7
504.30283	0.7
505.31549	3.0
522.31879	1.7
523.32715	22.3
524.33002	2.6
685.37982	100.0
686.38263	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	685.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32520	0.6
56.72968	0.6
59.01377	1.1
61.98825	2.1
64.26777	0.7
69.29412	0.6
71.01357	0.7
71.46896	0.5
97.94341	0.7
101.35853	0.7
102.51295	0.7
102.84389	0.7
104.17447	0.7
107.51448	0.8
118.38742	0.6
131.13170	0.7
143.79878	0.7
161.02400	1.1
191.05624	1.9
197.02202	7.8
209.11763	1.1
229.04651	0.6
229.65276	0.7
240.95753	0.6
291.85425	0.7
487.34271	100.0
488.34567	13.4
575.24451	0.7
685.37372	17.9
686.37677	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	685.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
67.01929	0.2
69.03455	0.3
71.01395	0.7
71.04423	0.2
71.52814	0.2
71.53276	0.2
73.02948	0.2
75.87651	0.2
81.03437	0.3
85.02949	6.2
87.00876	1.4
93.03463	2.4
95.01429	0.2
96.61831	0.2
97.02950	0.3
109.02954	0.7
110.42267	0.2
111.04518	0.6
125.02444	13.2
126.02799	0.3
127.04031	1.4
133.02959	0.6
135.04527	1.0
145.18463	0.2
161.02440	1.8
169.01421	25.8
170.01733	0.8
171.02962	0.5
173.04549	1.0
177.01906	0.5
179.03487	0.6
191.05605	100.0
192.05948	3.5
194.41663	0.2
301.31680	0.2
331.06735	9.2
332.07040	0.5
353.08743	11.8
354.08978	1.1
370.22095	0.2
466.11038	0.2
493.09286	0.2
508.43271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.2
61.98824	3.2
67.01881	1.3
70.90733	1.3
71.01377	3.3
73.02961	0.6
81.03447	1.3
83.05004	2.2
85.01026	5.2
85.02939	4.1
87.00871	5.6
89.02424	0.8
90.98145	0.6
93.03457	14.1
96.96027	1.2
99.00861	0.7
99.04484	1.0
99.08137	1.0
101.02394	1.0
103.80171	0.5
109.02927	0.7
111.04505	9.7
113.00565	0.7
113.02423	2.3
115.02023	0.6
119.03535	0.6
119.04934	0.7
125.02415	0.6
127.02032	0.7
127.03976	2.3
129.01945	4.5
133.02968	5.2
134.03746	1.5
135.04523	15.1
136.04851	0.7
137.02448	2.8
143.05179	1.2
145.03058	0.9
146.03726	0.8
149.02425	1.2
149.06041	1.6
155.03487	9.9
161.01112	1.2
161.02428	15.5
162.02773	1.1
163.03952	1.8
173.04536	6.4
177.05542	2.5
179.03477	10.5
183.01094	0.6
191.05598	36.7
192.05946	2.1
197.02632	0.7
199.04176	3.8
217.05147	1.8
221.02554	0.7
221.04546	2.7
223.04149	0.8
241.05180	0.8
248.80630	0.6
251.05658	1.3
259.06567	0.7
268.05014	0.8
269.04736	7.1
271.06302	1.3
275.41815	0.6
279.05069	2.6
281.06546	3.5
283.06244	2.2
287.05823	1.1
324.91794	0.7
325.10803	1.0
331.12097	1.3
341.08557	2.0
349.12982	3.2
361.09518	1.7
379.10455	1.6
419.13684	1.8
449.09119	1.0
459.16541	0.8
505.17395	10.2
506.17776	1.4
515.15576	1.7
523.18353	7.5
533.16583	2.0
543.15112	1.3
667.20001	1.6
685.21509	100.0
686.21820	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	685.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.3
70.63907	1.9
71.01402	6.0
71.51485	2.2
85.02947	7.6
87.00866	2.6
89.02438	2.6
92.94811	1.9
93.03460	4.0
94.84678	1.7
101.02451	2.4
107.01422	3.0
113.02402	2.4
119.03519	1.9
119.05012	9.9
121.02953	5.9
123.00856	8.6
125.02444	24.7
151.00354	9.8
161.02345	2.9
168.00612	4.4
168.35757	1.9
169.01424	49.6
170.01807	2.3
173.04539	2.3
190.90494	1.9
191.05606	100.0
192.05994	10.8
199.42343	2.1
211.02469	9.5
241.03519	2.9
271.04492	9.2
296.50406	1.9
306.20825	1.9
331.06662	94.9
332.06924	7.1
343.10220	5.9
353.08707	10.1
354.09033	4.2
685.18597	2.5
701.06897	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	683.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03448	5.0
59.01379	3.8
61.98828	16.0
69.03470	0.9
69.36911	0.6
71.01389	4.9
71.52863	1.0
73.02945	1.5
78.95930	1.6
79.47555	0.7
82.24368	0.7
83.01387	0.9
83.05025	1.2
85.02956	1.9
87.00885	1.9
89.02464	2.1
95.05042	2.5
97.06585	17.3
101.02448	4.5
102.84270	0.7
113.02467	2.1
123.08155	9.9
125.09721	93.9
126.10063	3.1
152.99571	1.5
153.91896	0.7
160.94287	0.7
161.04575	2.5
169.08650	2.2
187.09750	36.5
188.10130	2.1
191.05589	1.5
235.08177	2.5
253.09218	3.1
261.13367	0.8
277.21719	43.5
278.22079	3.3
321.06134	0.8
405.17609	7.4
423.18671	6.7
549.82080	0.9
616.77307	0.8
683.40039	100.0
684.40497	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	683.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61493	2.6
54.70992	2.5
59.01380	47.8
65.02847	2.8
67.64707	2.7
69.03454	48.5
71.01386	21.8
72.99299	3.7
77.07494	3.3
85.02950	11.0
86.14902	2.8
87.00881	4.2
89.02449	27.2
93.03452	6.3
94.59484	2.8
95.05031	15.0
101.02443	12.0
113.02439	8.5
119.03496	9.4
119.04947	4.0
121.02921	3.7
121.06610	19.2
131.07129	18.8
139.00317	4.8
142.14560	3.0
165.05551	5.8
173.04549	4.6
183.06613	3.9
191.05602	58.9
199.04185	2.7
209.04495	6.5
221.65134	2.9
270.34576	2.8
279.06601	3.6
293.12405	46.7
294.12708	4.9
345.11868	13.4
389.05780	6.1
389.10846	100.0
390.10718	3.1
491.08374	3.6
515.11902	4.1
516.12897	7.0
541.58789	3.3
683.17444	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	683.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.5
59.01381	6.3
61.98827	43.9
63.99246	1.6
64.08052	0.7
69.03447	1.2
71.01374	4.8
71.52288	1.2
71.52689	0.9
73.02939	0.9
78.95908	1.2
85.02950	1.8
89.02438	4.3
90.22295	0.9
95.05019	1.0
97.06581	13.0
101.02441	4.2
111.11472	0.8
113.02418	1.4
119.03492	1.0
123.08138	6.9
125.09715	100.0
126.10046	3.5
128.24449	0.8
143.10799	1.2
143.47772	0.8
152.99490	1.6
161.04483	1.3
169.08717	1.9
179.05632	1.5
187.09743	70.1
188.10098	3.2
191.05646	1.0
209.11797	1.2
212.49628	0.9
253.09201	1.8
261.13336	1.1
277.21683	15.4
278.22125	1.3
294.29266	0.9
305.17673	2.1
405.17743	6.2
423.18747	18.1
424.19067	1.9
584.30908	1.0
665.39197	1.1
683.40051	99.4
684.40314	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82055	0.6
59.01370	2.8
61.98826	6.7
67.01883	0.9
69.26677	1.5
69.27077	4.2
71.01376	3.3
72.99284	0.7
74.32573	0.6
78.95898	2.6
83.05029	0.8
85.02946	3.4
87.00877	2.1
88.98815	1.0
89.02436	1.0
93.03451	5.2
94.03831	0.7
96.96011	4.4
96.96957	2.1
97.02956	0.6
98.69493	0.7
99.00863	0.8
101.02435	2.3
104.00351	0.6
109.02972	1.4
111.04529	1.0
113.02448	1.1
117.03448	1.4
119.05053	1.3
121.02959	1.2
123.04486	0.8
125.02433	1.3
127.04059	0.7
128.48032	0.6
132.02167	3.5
133.02954	47.5
134.03815	3.2
135.04529	10.9
137.02463	1.6
137.22343	0.7
149.06017	0.9
150.06750	0.8
153.01874	1.1
159.04596	0.8
160.01657	2.3
161.02438	100.0
162.02795	3.7
163.03993	1.2
169.01350	1.1
173.04510	3.4
173.40495	0.6
174.04823	0.6
175.03941	4.2
179.03465	5.1
191.05602	29.0
192.05933	5.0
193.06053	2.0
193.25198	0.6
201.11336	0.9
201.64319	0.6
209.11844	2.3
283.13553	1.3
284.13623	0.8
315.12430	0.8
326.11588	0.9
327.12357	0.9
329.14047	0.8
477.17618	2.9
491.19034	1.1
503.19321	1.0
547.17767	1.3
635.21094	0.6
653.22351	32.8
654.22772	5.4
655.74475	0.7
665.22296	21.7
666.22693	4.5
678.46210	0.7
682.76416	3.3
683.23712	9.4
683.37518	2.1
684.23737	2.0
684.34497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61493	2.6
54.70992	2.5
59.01380	47.8
65.02847	2.8
67.64707	2.7
69.03454	48.5
71.01386	21.8
72.99299	3.7
77.07494	3.3
85.02950	11.0
86.14902	2.8
87.00881	4.2
89.02449	27.2
93.03452	6.3
94.59484	2.8
95.05031	15.0
101.02443	12.0
113.02439	8.5
119.03496	9.4
119.04947	4.0
121.02921	3.7
121.06610	19.2
131.07129	18.8
139.00317	4.8
142.14560	3.0
165.05551	5.8
173.04549	4.6
183.06613	3.9
191.05602	58.9
199.04185	2.7
209.04495	6.5
221.65134	2.9
270.34576	2.8
279.06601	3.6
293.12405	46.7
294.12708	4.9
345.11868	13.4
389.05780	6.1
389.10846	100.0
390.10718	3.1
491.08374	3.6
515.11902	4.1
516.12897	7.0
541.58789	3.3
683.17444	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	683.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16496	0.3
57.03444	0.6
59.01373	1.3
60.99301	0.6
67.01884	2.6
69.03446	0.8
69.21005	1.1
69.21429	1.8
69.30501	0.3
71.01376	1.5
73.93214	0.3
81.03461	0.5
83.05000	0.7
84.08858	0.3
85.02934	5.2
87.00867	3.6
93.03455	15.4
94.03755	0.4
95.01390	0.6
98.19759	0.2
99.00848	0.3
105.03441	0.9
109.02931	1.7
111.04494	2.2
113.02418	0.5
121.02924	0.5
125.02390	0.5
127.03987	1.7
133.02948	4.2
134.03752	0.6
135.04517	13.2
137.02415	0.6
139.00345	2.3
140.01157	1.8
153.01991	1.4
154.02733	1.8
155.03481	4.5
161.02423	5.1
171.02853	0.3
172.24622	0.3
173.04520	4.0
177.01863	0.9
179.03479	9.8
180.03828	0.4
191.05591	100.0
192.05946	3.4
247.30931	0.3
256.76413	0.3
308.09015	0.6
317.08768	6.1
318.09088	0.6
329.03036	0.3
351.07141	0.4
352.07693	0.3
353.08722	33.1
354.09039	2.7
365.12115	0.3
367.10168	2.6
395.09753	5.9
395.14441	0.6
396.10132	0.4
417.15958	0.4
425.10864	1.0
447.09283	0.4
455.11713	1.7
515.13153	0.4
516.12793	1.1
580.69391	0.3
672.09564	0.3
683.06976	0.4
683.18256	7.2
684.18512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58564	0.6
59.01378	7.4
61.98829	6.9
67.01884	0.8
69.03456	4.7
71.01383	6.3
72.99299	1.0
78.95883	0.9
85.02935	1.2
89.02439	3.7
93.03487	0.9
95.01376	2.9
95.05022	6.0
101.02426	2.1
109.06642	0.9
111.00877	6.5
111.08157	1.9
113.02428	2.2
119.03470	1.7
119.04989	0.9
121.02949	20.7
121.06583	3.0
122.03253	1.0
123.04540	5.7
126.91973	0.6
137.06151	0.8
139.00363	15.3
147.04459	0.8
149.02432	1.5
153.12831	2.2
161.04671	0.8
163.00389	0.6
165.05566	6.3
169.12378	0.9
179.05452	0.7
181.12286	1.4
187.15044	0.6
191.03595	1.1
191.05615	2.4
197.11848	3.7
207.13904	1.6
209.04544	1.9
225.94302	0.6
227.12943	0.9
227.31421	0.6
227.85135	0.7
233.15405	2.3
247.20651	1.7
251.12933	0.7
263.20258	0.8
273.18530	1.5
277.14401	8.6
278.14960	0.7
285.78189	0.7
291.19644	15.3
292.19958	2.0
293.21072	1.0
307.19034	0.8
309.20691	100.0
310.21060	7.8
325.76996	0.7
347.18317	1.3
371.09848	6.8
373.16437	0.7
389.10794	1.8
431.20816	3.2
457.26065	0.8
487.34229	21.1
488.34406	2.1
501.24710	2.5
501.31644	1.0
681.30231	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	681.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41502	0.4
59.01377	10.1
61.98835	4.5
63.75933	0.3
67.01881	1.4
67.21947	0.3
68.99806	0.8
69.03452	7.3
71.01382	5.2
71.52287	0.3
71.68031	0.4
72.99300	0.4
73.85732	0.3
73.90434	0.3
77.69544	0.3
78.95914	0.5
81.03447	0.4
85.02947	1.7
87.00877	0.4
89.02444	3.5
93.03452	0.9
95.01386	4.4
95.05021	6.4
97.06593	0.9
101.02426	2.4
106.04253	0.5
108.02156	0.6
109.02969	0.6
111.00168	0.7
111.00877	9.0
113.02439	2.1
113.09740	0.9
115.07643	0.5
119.03491	1.3
119.04946	0.9
121.02952	18.7
121.06583	5.4
123.04510	6.0
125.02415	0.4
128.02728	0.4
133.03014	0.4
135.04535	0.6
137.06003	0.5
139.00366	16.0
141.09236	0.6
147.04507	1.4
149.02475	0.7
151.11298	0.3
161.04556	0.5
165.05553	5.4
165.12816	1.4
167.14389	0.6
171.10242	0.5
177.09186	0.6
181.12259	1.8
183.06587	0.8
183.13780	0.4
191.03680	0.8
191.05577	2.6
193.12341	0.7
195.13869	1.2
203.07088	0.6
209.04521	4.1
209.11790	0.7
211.13379	2.2
218.16783	0.4
221.08224	0.5
221.15346	0.5
240.13719	0.4
247.20671	2.3
271.86487	0.4
273.18533	1.4
281.21210	0.5
291.16168	1.2
291.19614	16.0
292.16669	0.5
292.19949	1.4
309.20682	100.0
310.21085	7.7
314.88498	0.4
318.14645	1.7
345.11884	1.2
361.20398	0.7
371.09766	6.2
372.09961	0.5
387.21664	3.2
389.10806	5.6
390.10977	0.5
431.20535	0.9
446.95026	0.5
487.34164	0.7
501.24911	1.7
681.31177	3.6
682.31769	0.7
683.88617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70154	0.3
55.55663	0.4
61.98829	100.0
63.35212	0.4
78.95896	0.8
79.95767	0.4
96.96013	0.4
97.43421	0.4
98.20686	0.7
155.13228	0.3
181.20984	0.4
197.12018	0.4
206.53291	0.3
241.12810	0.4
277.22192	0.4
309.20779	0.4
311.22342	0.6
599.39166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82589	0.1
53.92924	0.1
61.98827	100.0
67.14589	0.2
69.47499	0.1
75.18216	0.2
78.95902	0.3
81.99417	0.2
164.95007	0.2
201.11330	0.5
209.11855	0.6
251.04657	0.2
255.23358	0.4
289.18213	0.3
307.19278	0.6
309.20679	0.2
310.76169	0.2
510.05991	0.2
662.40704	0.4
680.41376	0.5
681.42004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82589	0.1
53.92924	0.1
61.98827	100.0
67.14589	0.2
69.47499	0.1
75.18216	0.2
78.95902	0.3
81.99417	0.2
164.95007	0.2
201.11330	0.5
209.11855	0.6
251.04657	0.2
255.23358	0.4
289.18213	0.3
307.19278	0.6
309.20679	0.2
310.76169	0.2
510.05991	0.2
662.40704	0.4
680.41376	0.5
681.42004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87800	0.1
61.98828	100.0
62.98545	0.2
64.40083	0.1
69.15927	1.8
75.27197	0.2
78.95902	1.0
83.05054	0.2
87.08323	0.1
98.19880	0.3
104.89440	0.2
140.01228	0.2
161.72308	0.2
163.11285	0.3
196.03784	0.2
201.11325	2.4
209.11819	2.7
210.12090	0.2
227.12903	0.7
255.23303	2.4
256.23657	0.2
289.17944	1.0
291.19748	0.3
294.84549	0.2
307.19125	1.5
309.20786	0.9
325.20163	0.6
636.39386	0.2
662.41077	0.8
680.41449	2.8
681.42072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98544	0.2
93.51434	0.2
108.67850	0.1
147.88896	0.2
209.11765	0.3
291.19748	0.2
307.19229	0.4
309.20724	2.3
310.21149	0.3
325.20248	0.4
373.96469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98531	0.3
63.75002	0.2
83.18296	0.2
98.19820	0.3
179.20535	0.2
219.39020	0.2
249.18253	0.2
289.18234	0.4
307.19171	1.1
309.20834	0.6
325.20453	0.4
340.55804	0.2
390.52267	0.2
441.94141	0.2
654.89453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.04231	0.5
75.37563	0.2
77.12110	0.2
78.95908	0.3
135.30009	0.2
185.11790	0.2
209.11850	0.6
291.19797	0.4
307.19034	1.2
309.20581	1.0
325.20355	1.1
344.16333	0.2
498.42010	0.2
617.41028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88854	0.2
60.54482	0.2
61.98829	100.0
63.99265	0.2
70.38079	0.5
70.38451	0.4
84.61185	0.2
93.81977	0.2
160.42668	0.2
185.11833	0.4
209.11847	0.7
255.23309	0.3
291.19794	0.2
295.46689	0.2
307.19189	1.1
309.20786	0.9
325.20175	1.2
514.98798	0.2
599.39832	0.3
617.40497	0.4
661.56525	0.3
691.60699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03027	0.3
54.20319	0.3
61.98828	100.0
65.33625	0.3
69.33344	2.3
77.10577	0.3
90.01270	0.3
98.19891	0.7
99.70509	0.3
189.37541	0.3
201.11285	0.4
255.23228	0.3
309.21207	0.3
362.11160	0.4
507.50708	0.4
641.42279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.28672	0.5
70.99855	0.5
71.00172	1.0
76.87814	0.5
96.47936	0.5
135.07759	0.5
141.77150	0.5
163.99100	0.5
185.11937	0.6
355.94904	0.5
639.11298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59751	0.2
52.17537	0.2
60.40580	0.2
61.98829	100.0
62.98526	0.2
64.59145	0.2
71.09528	0.4
78.95895	0.2
80.28114	0.2
82.92435	0.2
107.03754	0.2
191.05617	0.4
207.70659	0.2
274.03824	0.2
309.74863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.38
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.45724	0.4
69.75500	2.4
78.95908	0.5
191.05632	0.6
194.34230	0.3
246.58852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3699
Annotation	2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,24-diene-22-one
Peak:m/z	Relative Intensity
53.13049	0.3
55.91156	0.3
58.00594	0.4
59.01379	5.6
61.98810	0.5
62.28089	0.3
69.31763	0.6
69.32166	2.6
71.01380	2.5
72.99301	0.6
73.02927	0.5
75.00872	6.2
82.17697	0.3
85.02953	0.9
89.02460	1.8
93.03452	0.3
96.96013	0.8
99.04495	0.3
101.02427	1.2
113.02450	0.8
175.11266	0.6
184.09138	0.4
191.05594	3.8
293.76987	0.3
315.00717	0.3
363.26828	1.8
377.24332	0.4
379.26035	0.4
379.30103	2.2
381.27820	0.6
391.30109	0.9
397.31250	1.8
407.29562	0.7
409.31204	0.7
423.28876	0.4
425.30835	0.5
437.30591	6.3
438.30762	1.1
441.30118	0.8
453.30005	0.9
455.31735	5.0
456.31873	0.8
471.30884	0.7
473.32578	2.0
481.29578	0.5
499.30640	3.7
500.31107	0.6
517.31720	6.0
518.31891	0.8
523.24060	0.3
524.10730	0.4
541.31848	0.8
559.33099	0.5
585.55524	0.4
603.35895	0.5
661.36133	0.5
679.36951	100.0
680.37280	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	679.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
67.01884	1.2
70.38703	2.5
71.01382	1.7
78.89164	0.6
81.03429	0.8
85.02948	12.8
87.00883	2.6
93.03453	9.1
96.80237	0.7
97.46001	0.6
102.49731	0.6
106.70023	0.7
109.02948	2.5
111.04499	2.3
119.05030	3.4
121.02954	0.9
127.03972	2.7
133.66743	0.6
135.04526	3.3
149.02289	0.6
161.02361	1.0
161.06094	0.8
163.04007	3.5
164.83038	0.7
173.04552	6.1
179.03500	2.5
191.05605	100.0
192.05994	2.7
195.05038	1.1
223.27837	0.8
225.05655	1.7
226.06335	70.7
227.07079	31.6
228.07425	1.4
255.10187	4.7
275.02005	2.5
300.99872	3.5
337.09470	1.7
341.08731	1.4
353.08759	2.7
389.12396	70.1
390.12686	8.0
409.55557	0.7
487.12601	9.6
488.12668	1.3
505.13647	4.0
679.19226	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	679.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.0
61.98831	100.0
70.28510	9.1
72.99895	1.9
85.02945	3.9
93.03461	3.4
131.77396	2.5
135.04533	8.0
136.04913	3.0
138.69376	2.3
143.47931	2.0
161.02458	3.7
171.10204	2.3
173.04611	3.8
179.03456	2.3
191.05621	36.6
192.05907	5.9
193.06070	2.6
197.11818	44.6
209.11841	58.1
210.12280	5.8
227.12871	15.2
253.09297	3.7
433.20746	4.1
445.20523	5.1
538.96942	2.7
618.46735	4.1
679.30988	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	678.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45597	0.2
54.37565	0.2
55.59027	0.2
59.01375	0.5
61.98827	100.0
72.67803	0.2
75.04234	0.2
78.95905	1.9
95.05036	0.2
99.76521	0.2
109.06581	0.3
118.27923	0.2
124.05408	0.2
140.01164	0.3
152.99576	0.6
163.11398	0.2
171.10310	0.3
171.39407	0.2
196.04031	0.2
207.10341	0.5
225.11299	1.8
228.70282	0.3
233.22563	0.2
255.23314	1.4
305.17630	0.6
307.19318	0.3
323.18954	0.3
660.38245	1.5
661.40033	0.3
664.88983	0.3
694.85297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01664	0.2
61.98828	100.0
71.28780	0.3
77.16618	0.2
78.95921	0.3
88.45626	0.2
99.40483	0.3
107.94827	0.2
111.66237	0.2
113.29778	0.2
143.06595	0.2
209.11879	0.7
251.51483	0.2
264.82156	0.2
291.19775	0.6
305.17535	1.5
309.20685	1.1
323.18652	0.4
559.32703	0.2
597.37677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02325	0.2
61.98829	100.0
62.74891	0.2
67.82439	0.2
78.95911	0.4
104.66027	0.2
109.97845	0.2
131.20157	0.2
154.27347	0.2
169.17342	0.2
185.11824	0.2
209.11916	0.3
230.12526	0.2
258.02097	0.2
276.90018	0.2
305.17673	0.6
323.18790	0.7
333.47662	0.2
462.48987	0.2
691.43341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33543	0.2
52.03113	0.2
61.98830	100.0
62.67921	0.2
63.84243	0.2
70.26949	0.4
78.95897	0.2
89.92876	0.2
96.40907	0.2
96.41648	0.2
119.58749	0.2
125.08763	0.2
128.82181	0.2
143.40762	0.2
144.91705	0.2
162.85005	0.2
197.11929	0.2
209.11848	0.5
212.87607	0.2
225.11485	0.2
264.24609	0.2
278.98752	0.2
291.19714	0.5
302.03137	0.2
305.17810	0.8
309.20709	2.2
310.21130	0.2
323.18726	0.6
410.35345	0.2
597.38721	0.5
657.75085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44955	0.2
59.01377	0.3
59.42640	0.1
60.73904	0.1
61.98827	100.0
62.98536	0.1
71.01382	0.2
77.58874	0.1
78.95909	0.2
93.48555	0.1
98.20775	0.3
101.02454	0.1
144.20407	0.1
171.10196	0.2
245.19051	0.2
281.24893	0.3
289.18060	1.3
289.20499	0.1
290.78827	0.2
307.19144	1.9
308.19534	0.2
325.20349	0.4
397.13611	0.3
566.67206	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	677.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.3
59.01373	0.3
61.98816	0.7
63.58194	0.2
66.25726	0.2
66.43723	0.2
69.34339	0.2
71.01369	0.3
74.24465	0.2
80.05044	0.2
81.03456	7.2
81.10393	0.2
83.05024	18.3
84.05341	0.4
85.02946	0.2
90.77966	0.2
93.03458	0.3
96.96011	0.4
97.88518	0.2
100.07680	0.5
107.06150	0.4
108.04516	0.7
109.02900	0.3
114.27383	0.2
125.02412	0.7
125.07220	1.2
126.05619	0.3
135.04480	0.4
143.08238	0.6
151.00423	0.3
161.02425	0.4
169.01402	1.2
173.04521	0.4
179.03542	0.3
191.05600	1.7
192.05795	0.2
207.14984	1.9
224.17662	3.2
225.16071	12.5
226.16335	0.7
242.18771	0.9
268.16602	0.2
290.22308	0.2
309.21878	1.0
313.05856	0.2
324.26535	0.6
333.22855	0.7
339.27692	0.2
341.29114	1.0
349.80786	0.2
351.23892	0.3
367.27173	1.2
383.09753	0.4
385.28275	0.2
433.31635	1.4
434.32169	0.2
450.34335	1.2
451.26614	0.4
451.32867	6.3
452.33060	0.7
463.06610	0.2
497.19315	0.2
510.57761	0.2
515.12238	0.4
550.43451	0.8
559.39539	0.4
582.50189	0.2
593.43964	0.8
659.48340	1.3
677.49640	100.0
678.50006	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	677.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.3
59.01373	0.3
61.98816	0.7
63.58194	0.2
66.25726	0.2
66.43723	0.2
69.34339	0.2
71.01369	0.3
74.24465	0.2
80.05044	0.2
81.03456	7.2
81.10393	0.2
83.05024	18.3
84.05341	0.4
85.02946	0.2
90.77966	0.2
93.03458	0.3
96.96011	0.4
97.88518	0.2
100.07680	0.5
107.06150	0.4
108.04516	0.7
109.02900	0.3
114.27383	0.2
125.02412	0.7
125.07220	1.2
126.05619	0.3
135.04480	0.4
143.08238	0.6
151.00423	0.3
161.02425	0.4
169.01402	1.2
173.04521	0.4
179.03542	0.3
191.05600	1.7
192.05795	0.2
207.14984	1.9
224.17662	3.2
225.16071	12.5
226.16335	0.7
242.18771	0.9
268.16602	0.2
290.22308	0.2
309.21878	1.0
313.05856	0.2
324.26535	0.6
333.22855	0.7
339.27692	0.2
341.29114	1.0
349.80786	0.2
351.23892	0.3
367.27173	1.2
383.09753	0.4
385.28275	0.2
433.31635	1.4
434.32169	0.2
450.34335	1.2
451.26614	0.4
451.32867	6.3
452.33060	0.7
463.06610	0.2
497.19315	0.2
510.57761	0.2
515.12238	0.4
550.43451	0.8
559.39539	0.4
582.50189	0.2
593.43964	0.8
659.48340	1.3
677.49640	100.0
678.50006	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	677.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
67.01893	1.3
68.64031	1.2
71.01394	6.8
72.99284	1.0
76.27130	1.1
85.02943	7.6
87.00865	3.6
88.10645	1.3
89.02446	7.5
93.03465	11.4
94.03792	2.0
101.02444	3.6
111.04557	2.2
113.02460	2.4
119.03522	2.4
119.04999	2.1
127.03984	1.9
133.02882	1.4
135.04549	8.0
150.76324	1.0
155.03510	1.6
161.02405	2.5
163.03990	2.4
173.04541	17.0
179.03511	6.7
191.05608	100.0
192.05922	13.6
193.06032	7.2
229.12924	1.2
323.13452	28.3
324.13898	2.1
328.09000	2.2
329.09030	1.5
337.09412	2.5
338.09583	2.0
339.09796	3.3
353.08771	20.1
354.09158	2.2
503.14490	2.3
677.19598	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	677.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70891	0.4
55.14762	0.3
59.01365	2.0
61.14254	0.3
61.98834	6.9
67.01891	0.7
69.03452	0.4
69.39257	2.2
71.01373	1.5
72.99315	0.4
75.63746	0.3
78.95925	0.4
81.03460	0.3
83.05029	0.6
85.02952	9.2
85.16518	0.3
87.00882	2.1
89.02386	0.4
89.52632	0.3
89.97777	0.3
93.03455	5.4
96.95999	0.5
98.20610	0.6
99.04538	0.4
101.02428	0.5
108.02172	0.6
109.02950	5.0
111.04498	1.7
116.92888	0.3
127.04010	2.7
135.04524	1.2
137.02417	0.4
161.02415	0.6
171.03020	0.7
171.10239	1.1
173.04510	1.9
179.03551	0.6
185.11795	0.4
191.05606	100.0
192.05978	3.6
207.14024	0.5
209.11853	1.4
209.54086	0.4
210.12042	0.5
211.13492	0.6
212.13747	0.7
227.12828	0.4
255.03094	0.4
283.13687	0.5
299.16711	0.4
301.14493	1.1
317.21808	0.3
353.48557	0.3
409.23880	0.7
427.24963	2.0
453.22839	5.3
454.23093	0.8
471.23834	1.5
471.31168	1.4
481.49402	0.3
620.36273	0.4
645.29108	14.8
646.29028	2.5
677.30164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03426	1.1
58.00582	2.2
58.56487	0.5
58.81559	0.5
59.01378	34.3
61.98822	1.0
69.03459	2.3
71.01380	33.2
71.53038	0.8
72.86772	0.4
72.99305	2.5
73.02557	0.5
73.02943	6.1
75.00863	0.7
78.95899	2.6
81.03449	1.6
83.01394	3.2
85.02946	7.1
87.00875	8.0
89.02443	31.4
89.97242	0.5
91.03970	0.9
95.01374	2.9
96.97009	0.5
97.02941	5.2
99.00872	2.6
101.02441	27.5
111.00862	0.7
111.04504	1.0
113.02451	14.8
114.69052	0.5
115.04005	0.5
119.02686	0.8
119.03505	10.3
121.02975	0.6
125.02450	12.5
131.03482	2.1
133.05090	1.1
139.04007	0.9
141.01903	0.6
143.03496	5.2
149.04556	1.2
152.99564	1.1
161.04546	7.1
179.05583	5.9
185.04538	0.9
199.06100	0.8
200.94640	0.4
213.54126	0.5
217.07121	1.1
221.06630	1.9
235.08209	12.9
245.06703	1.1
253.09209	3.6
261.22226	0.6
263.07663	1.2
277.09277	1.1
279.23273	100.0
280.23636	6.9
287.07602	2.6
305.08728	2.8
323.09824	1.7
379.12576	1.1
397.13477	72.3
398.13782	4.4
413.10870	0.5
415.14545	32.4
416.14908	1.6
620.79883	0.5
670.14246	0.5
677.36877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37871	0.3
61.98830	100.0
63.46789	0.3
69.17789	2.9
78.95905	9.6
96.96950	0.8
98.20605	0.6
104.16657	0.3
152.99593	5.1
153.99931	0.6
185.83762	0.3
209.11868	3.8
210.12120	1.5
227.12897	0.5
228.13351	0.4
277.41119	0.3
279.23230	2.6
279.25693	0.3
280.23590	2.5
363.12344	1.2
364.12622	0.8
395.14880	0.8
396.14877	0.5
415.22537	0.6
416.23026	0.7
434.24335	0.4
441.15402	0.4
470.47412	0.3
622.94104	0.3
644.36462	4.5
676.39404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.49985	0.2
65.85419	0.3
70.07405	0.7
78.95907	6.4
96.96973	0.8
98.19897	0.4
110.85279	0.2
118.65052	0.2
138.02213	0.2
152.99586	4.0
154.00038	0.3
209.11824	2.3
210.12234	1.3
227.13036	0.4
256.75592	0.2
279.23358	1.6
279.26077	0.2
280.23615	1.4
363.12091	0.8
364.12637	0.7
382.13992	0.3
395.14844	0.6
396.14996	0.3
415.22321	0.4
416.22974	0.7
644.36688	1.9
676.39459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48115	0.1
59.01376	0.5
61.98828	100.0
62.02388	0.1
78.95913	0.6
101.65615	0.2
102.09209	0.1
121.27335	0.2
145.02902	0.2
152.99561	0.2
191.72682	0.2
289.18188	0.2
291.10385	0.1
305.17679	0.7
307.19159	0.4
377.26675	0.2
487.32822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1511
Annotation	1,3,5-Tri-O-caffeoylquinic acid
Peak:m/z	Relative Intensity
56.19440	0.8
57.03447	1.1
59.01372	3.7
60.99316	1.2
61.98827	12.2
66.20820	0.9
67.01882	2.8
68.99559	1.1
71.01381	4.8
71.54952	0.9
83.05003	2.0
85.02941	5.8
87.00868	2.0
87.06239	0.9
89.02431	1.3
93.03453	19.2
96.96017	3.5
101.02505	0.8
103.42407	1.0
109.02940	2.0
111.04528	6.9
113.02428	1.7
115.88231	0.8
116.92914	1.1
123.04559	1.0
127.04006	1.7
133.02933	6.3
134.03711	3.0
135.04515	61.6
136.04889	1.3
137.02408	7.0
149.02577	1.0
150.03192	1.0
155.03477	9.7
157.95834	1.0
161.02438	26.0
161.03761	1.7
162.02730	0.8
163.04059	1.3
165.05565	1.3
169.01396	1.3
170.26057	0.8
173.04536	77.3
174.04846	1.9
175.03891	0.9
179.03482	68.3
180.03833	2.7
191.05594	56.4
195.06540	0.8
203.03490	2.0
204.03989	0.8
209.11815	6.9
211.07722	1.5
227.12869	3.2
255.06639	0.9
299.05579	1.3
301.03665	1.4
317.06552	1.6
335.07736	7.5
353.08722	36.3
353.13107	1.9
354.09283	2.6
389.87064	0.8
423.22641	0.9
441.22406	1.2
485.21805	1.5
497.10626	2.2
515.11896	100.0
516.12262	14.5
527.32794	0.9
636.82605	1.0
677.15198	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98794	0.3
55.01872	1.6
57.03447	1.0
58.00597	2.1
59.01377	55.3
60.01691	0.4
67.01872	0.5
68.99822	0.8
69.03458	3.2
71.01379	44.0
72.01720	0.6
72.99300	2.6
73.02951	7.9
73.43495	0.3
75.00845	0.9
78.95895	6.6
81.03468	2.0
83.00903	0.6
83.01378	5.0
83.05000	0.6
85.02946	9.9
86.00087	0.4
87.00337	0.7
87.00871	11.3
87.04501	0.5
89.02439	39.9
90.02811	0.4
91.04010	1.2
93.03451	0.5
95.01383	3.4
96.96945	0.4
97.02943	7.5
99.00870	3.0
99.04508	0.7
101.02436	35.2
102.02774	0.6
103.00373	0.3
109.02948	1.0
111.00877	0.7
111.04556	1.1
113.02441	17.6
114.02785	0.5
115.03996	0.9
116.29853	0.4
119.03495	12.3
121.03004	0.6
124.01649	0.6
125.02441	15.4
126.02789	0.4
127.04000	0.6
127.07661	0.4
131.03506	2.4
131.04427	0.4
132.48795	0.3
133.05074	1.4
139.03999	1.3
141.01929	0.7
143.03496	6.4
149.04526	1.4
152.99567	1.4
161.04538	9.1
163.03961	0.4
167.03470	1.1
169.05035	1.0
171.02951	0.6
177.27306	0.4
179.05583	8.1
180.05951	0.3
185.04530	0.7
191.05640	0.6
195.14037	0.4
199.06183	0.7
203.05666	0.7
209.11800	0.4
217.07166	1.0
219.05072	0.5
221.06622	2.9
233.22780	0.6
235.08197	17.4
236.08525	0.7
245.06720	0.9
253.09213	4.6
259.20477	0.5
261.66901	0.4
263.07727	1.6
275.20200	0.4
277.09360	1.4
277.21698	100.0
278.22037	9.9
287.07639	3.3
293.21301	0.9
305.08698	4.4
305.69916	0.4
323.09854	1.8
361.11392	0.9
379.12509	1.7
397.13467	85.7
398.13806	5.8
415.14529	35.8
416.14792	2.4
657.34308	0.7
675.35229	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	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03442	1.3
58.00594	2.1
59.01378	56.1
60.01715	0.7
68.99821	0.6
69.03452	3.1
71.01379	45.6
72.01713	0.5
72.99306	2.9
73.02944	7.5
75.00883	1.0
78.95895	1.5
81.03458	1.9
83.01385	4.6
83.05035	0.8
85.02946	10.4
86.00109	0.5
87.00876	9.9
89.02442	42.4
90.02769	0.4
91.04024	0.8
93.03477	0.5
95.01395	3.1
97.02948	7.0
98.20664	1.0
99.00872	2.4
99.04539	0.7
101.02439	35.2
102.02794	0.7
103.03999	0.5
109.02950	0.9
111.00869	0.9
111.04532	1.0
113.02448	18.0
114.02814	0.6
115.04039	0.9
119.03490	12.8
121.02966	0.7
123.00865	0.3
123.04495	0.3
124.01631	0.6
125.02446	14.1
127.04033	0.5
131.03522	1.7
133.02893	0.3
133.05072	1.4
137.02496	0.4
139.03993	1.0
141.01950	0.6
143.03487	7.1
149.04552	1.1
151.04106	0.4
152.99579	0.7
157.05023	0.5
161.04547	9.0
161.05887	0.5
163.03973	0.4
167.03491	1.3
169.05063	0.5
171.03024	0.5
179.05589	8.1
185.04610	0.7
199.06136	0.6
203.05621	0.8
217.07181	1.6
219.05029	0.5
221.06697	3.0
229.53398	0.4
233.22658	0.6
235.08206	17.4
236.08591	0.7
245.06596	0.7
253.09274	3.9
263.07660	2.0
277.09351	1.3
277.21698	100.0
278.22028	8.1
287.07687	3.5
305.08780	4.3
319.22522	0.3
320.07565	0.3
323.09650	2.0
340.56918	0.3
361.11319	0.8
379.12265	1.1
397.13477	79.9
398.13809	6.6
415.14529	36.1
416.14832	2.8
438.18634	0.4
461.07861	0.4
558.23541	0.4
619.62427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11405	0.4
58.00581	0.8
59.01378	6.5
61.98830	3.7
67.01867	0.5
69.03436	0.8
70.43292	1.0
70.43663	1.0
71.01373	4.6
72.99300	0.5
73.02935	0.8
78.95924	0.7
79.70120	0.4
80.02685	1.6
81.03447	1.7
83.01368	1.1
83.05022	5.8
83.34023	0.5
84.02163	1.1
84.05352	1.6
85.02938	2.0
87.00867	1.1
89.02446	3.9
93.03459	1.2
95.05006	0.8
96.96019	1.1
97.02956	0.5
97.06621	0.5
101.02435	4.2
102.02771	0.5
106.04257	0.4
111.00866	0.7
113.02435	2.3
119.03521	0.8
119.14130	0.4
123.00874	0.6
125.02434	0.6
125.06070	0.5
125.09772	0.6
133.02985	0.6
135.04500	0.9
135.08147	1.0
137.02370	0.7
143.03452	0.6
145.05016	0.5
149.04553	1.9
161.02428	0.5
161.04562	0.9
163.11284	3.6
164.11592	1.5
165.12819	2.1
166.13167	1.2
169.12344	0.7
171.10280	1.8
172.10591	1.3
173.10880	0.6
181.12378	1.0
185.11809	4.2
185.60715	0.4
191.05623	6.1
191.10669	0.6
192.05937	0.5
197.11861	3.8
199.13362	1.6
200.13739	0.8
201.11351	1.2
207.10246	1.2
209.11818	100.0
210.12157	59.3
211.12199	21.0
212.12407	0.8
223.13266	0.5
227.12865	15.1
228.13202	7.7
229.13414	4.2
235.08226	1.7
236.08568	0.6
247.13228	0.6
248.13797	1.0
253.09294	5.4
254.09573	3.0
255.09683	1.5
287.22522	0.6
299.01862	1.7
300.02664	0.6
341.44339	0.5
384.14835	0.5
421.22067	0.6
445.07956	0.8
447.21884	0.6
463.21338	0.6
495.26181	1.1
615.33197	1.0
638.30359	0.5
639.16302	0.6
639.32996	1.3
643.32544	0.5
657.33636	1.0
675.32733	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98052	0.5
56.56755	0.5
57.03442	1.3
59.01377	1.6
60.17969	0.5
61.98833	4.5
63.68584	0.6
70.38686	2.0
71.01355	1.0
78.95902	100.0
81.03480	1.0
83.05023	1.8
89.68361	0.6
96.96963	10.4
98.20570	0.8
108.79987	0.6
109.06606	1.2
109.73835	0.6
113.09721	3.9
134.98520	2.1
150.97929	0.8
152.99577	65.8
153.99968	1.4
163.11301	2.1
165.12901	0.9
167.10789	1.2
171.00664	1.4
177.12762	0.7
179.10820	0.8
179.14442	1.2
181.12358	0.8
191.05576	1.4
191.10771	0.9
195.13875	6.7
197.11798	0.8
205.12285	2.1
207.10234	2.3
209.11816	26.2
210.12135	2.1
223.13379	13.7
224.13754	0.8
225.11359	2.1
227.12860	5.5
277.21692	2.1
293.21204	38.1
294.21478	3.2
295.22739	7.6
349.14001	0.6
359.12814	1.0
361.10675	0.8
363.12180	6.7
377.13614	0.7
381.13138	0.9
384.79184	0.6
397.13702	0.7
416.03415	0.7
429.20395	9.2
431.22025	2.3
441.86526	0.7
447.21503	4.3
449.23096	1.5
471.34872	1.2
559.26379	0.9
587.26160	10.1
588.26440	1.7
616.74725	0.8
657.33716	3.5
675.35089	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	675.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12196	1.0
57.03434	4.2
59.01380	11.0
61.98840	6.3
69.03466	1.8
69.15951	3.4
69.16372	6.9
70.77598	1.2
71.01376	10.3
71.04996	1.2
72.99313	1.6
73.02937	1.9
75.00877	2.1
77.03790	1.0
78.95896	3.0
80.02664	1.2
81.03476	2.2
83.01383	2.1
83.05029	6.6
84.96497	0.9
85.02954	6.3
87.00874	2.9
89.02440	5.8
93.03468	4.4
95.01397	1.7
95.05039	1.6
96.96018	4.6
97.02958	1.4
97.06576	2.6
101.02435	6.1
109.02939	1.1
109.06596	2.1
113.02452	4.1
114.43708	1.1
122.06148	1.8
123.08163	1.7
125.02451	2.0
125.09718	3.1
129.27907	1.0
131.03476	1.4
132.98279	1.1
134.93805	1.0
135.04506	4.3
139.11278	3.3
141.12866	1.7
143.03566	1.2
151.11264	1.1
152.07176	2.0
152.66852	1.1
161.02458	1.8
161.04529	2.6
163.11244	4.0
165.12843	2.8
167.10725	5.6
169.12314	3.8
171.10252	4.8
173.04567	2.4
179.03554	1.3
181.12326	1.4
185.11823	83.4
186.12187	2.8
191.05594	20.3
196.20442	1.2
197.11821	1.8
199.13513	2.4
200.13640	1.3
201.11261	2.6
209.11807	79.4
210.12154	10.7
211.09769	1.0
211.12236	1.4
211.13350	1.5
225.11287	1.8
227.12881	15.3
228.13203	5.5
229.10921	1.1
229.13390	2.4
235.08159	1.8
253.09242	5.3
310.95587	1.1
427.01599	1.1
465.19791	2.1
603.30328	1.6
643.26208	4.0
657.31134	2.4
675.32355	100.0
676.32764	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	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54312	0.8
59.01376	2.0
64.97109	0.8
66.18119	0.8
67.01884	2.7
69.03447	1.3
70.59973	2.5
71.01379	3.0
81.03467	0.8
83.05024	2.5
85.02950	7.3
87.00868	4.1
93.03455	25.4
94.03789	1.4
109.02957	2.1
111.04521	7.2
119.05023	33.2
121.02914	1.4
127.03985	3.3
137.02422	3.5
143.05022	4.6
145.06606	2.7
155.03482	8.5
163.03999	39.5
164.04317	2.2
173.04539	69.9
174.04861	2.1
191.05606	82.8
192.05965	2.9
195.04486	1.7
209.06116	1.0
211.07625	2.5
223.07565	1.3
237.09203	12.2
238.09560	1.7
239.10719	3.6
265.08670	2.7
283.09735	21.9
284.10123	1.1
289.18832	1.0
327.08713	100.0
328.09155	10.6
333.85504	1.1
337.09250	9.8
472.42023	1.2
501.06805	2.0
501.13980	30.3
501.21356	1.7
502.14310	3.6
554.73254	1.1
675.19379	28.6
676.19641	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	674.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98826	100.0
62.98536	0.2
74.43579	0.2
78.95902	3.2
96.96954	0.3
135.83847	0.2
152.99582	1.9
193.37735	0.2
201.11319	0.4
209.11835	1.1
210.12172	0.4
227.12860	0.2
245.51793	0.2
255.23277	1.0
276.67175	0.2
277.21774	0.8
278.22003	0.8
305.17737	0.3
307.19150	0.3
314.67740	0.2
323.18619	0.2
363.12073	0.4
413.20700	0.3
414.21390	0.4
431.21985	0.2
642.35358	1.2
674.38196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38545	0.5
61.98829	100.0
65.12034	0.4
78.95923	0.9
79.56833	0.4
91.37441	0.4
94.13941	0.4
98.19835	1.0
122.38105	0.4
154.40144	0.5
197.72255	0.4
198.17928	0.4
262.49448	0.5
378.00391	0.5
434.17618	0.5
585.51636	0.5
622.10626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.83397	0.4
59.01366	1.3
60.99297	0.5
66.19388	0.4
66.21242	0.4
67.01889	2.6
69.03460	0.9
71.01385	1.3
76.50327	0.3
81.03471	0.6
83.01358	0.4
83.05020	0.7
85.02941	6.0
87.00878	4.7
93.03460	19.0
94.03778	0.4
98.19930	0.8
99.00878	1.7
109.02958	0.6
111.04509	3.5
113.02474	0.5
115.00377	1.8
119.05038	5.4
127.03989	1.4
129.01958	0.6
133.02997	0.6
135.04546	0.5
137.02443	0.6
139.00362	0.6
145.02922	1.0
149.06052	1.7
157.01387	0.6
159.02936	0.7
161.02438	2.5
162.58365	0.4
163.03998	6.1
164.04333	0.7
165.01974	0.4
171.02863	0.5
173.04532	8.8
175.02460	1.0
177.01932	3.1
191.05605	100.0
192.05930	3.6
193.05090	0.4
206.02115	0.4
211.07698	0.4
219.02980	0.4
233.04599	2.2
265.08771	0.9
277.03531	6.3
278.03961	0.4
287.47836	0.4
319.04550	2.3
327.08740	5.3
337.05801	1.2
337.09271	29.0
338.09506	2.5
501.13959	1.3
535.43481	0.4
675.19415	5.0
676.19342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39925	0.3
57.03431	0.4
59.01367	1.6
60.99299	0.9
66.22910	0.4
67.01883	2.1
69.03443	0.8
69.24638	1.9
69.25066	1.0
71.01373	1.4
76.85544	0.3
80.20496	0.3
81.03453	0.7
83.05041	0.6
85.02946	7.5
87.00876	4.6
93.03454	17.0
94.03799	0.5
99.00880	1.0
99.04498	0.4
108.43426	0.4
109.02941	0.9
111.04517	3.3
115.00370	1.4
119.05021	11.1
120.05396	0.3
127.04004	1.5
129.01949	0.6
133.02968	0.5
135.04532	0.7
137.02415	0.6
139.00354	0.8
143.05023	0.7
145.02933	0.9
149.06035	0.7
155.03491	1.3
157.01373	0.5
159.02982	0.3
161.02386	1.8
163.03996	9.5
165.01912	0.4
173.04539	11.4
175.02394	0.8
177.01964	2.0
179.03508	0.6
185.95335	0.4
191.05600	100.0
192.05946	3.0
211.07710	0.4
223.07478	0.4
233.04526	1.6
237.09209	1.4
265.08600	0.7
277.03503	4.4
283.09708	1.1
284.09836	0.4
309.07751	0.5
319.04498	1.9
327.08728	8.6
328.09045	0.9
337.05798	1.0
337.09247	22.3
338.09457	1.6
363.47195	0.4
483.12827	0.4
501.13989	4.2
675.19257	9.9
676.19391	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	673.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03429	2.5
58.00559	1.2
59.01380	14.5
61.98812	6.1
69.03449	2.5
69.45026	9.5
71.01379	43.8
72.01758	1.1
73.02939	4.0
78.95903	55.8
81.03447	3.5
83.01369	2.8
83.05034	6.0
85.02938	4.2
87.00874	4.8
89.02427	5.2
95.05014	2.0
96.96960	3.9
97.02936	5.1
98.19859	1.2
99.00854	3.1
101.02439	7.3
109.06584	11.8
110.03813	1.3
113.02432	4.8
116.98936	1.2
119.03482	2.3
121.55439	1.4
125.09709	3.1
127.11268	1.8
135.08159	2.2
140.62994	1.1
143.03525	1.7
152.99577	26.3
161.04475	3.0
163.11285	10.3
165.12842	3.1
169.12312	1.3
171.10237	10.2
171.13831	1.5
179.05544	1.2
181.12372	7.3
183.13927	12.0
185.11783	3.5
187.09816	1.6
191.05606	6.2
193.12343	3.1
195.13812	1.9
197.11684	1.7
199.09972	1.1
199.13387	23.4
201.11296	9.1
203.10815	1.2
207.10251	32.4
208.10602	3.5
209.11819	75.4
210.12190	5.9
211.13382	100.0
212.13698	7.3
225.09238	2.3
225.11301	26.3
226.11629	2.2
227.12875	61.9
228.13219	4.8
229.14484	1.7
235.08197	6.0
235.13306	1.7
243.12340	1.9
247.13322	1.9
251.73479	1.2
253.09328	14.6
291.19931	1.4
293.21170	4.0
295.22708	3.6
311.22308	3.6
345.24326	1.4
361.10562	6.6
373.23593	1.6
377.09973	2.6
379.11539	2.4
383.22278	1.7
401.23605	6.0
419.24368	5.8
423.34155	1.3
429.20139	1.7
445.20276	2.9
447.21683	8.0
461.20105	3.2
463.21851	12.0
464.22214	2.0
465.22418	2.2
471.21515	1.6
493.28378	1.6
635.38708	2.1
637.31934	5.2
655.33112	12.5
656.33643	2.8
673.33899	33.7
674.33960	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	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
71.00835	0.6
71.01408	1.5
73.02972	0.4
80.02679	1.2
81.03455	1.1
83.01363	0.6
83.05028	4.2
83.96543	0.3
84.02170	0.5
85.02956	0.6
89.02438	1.3
95.05025	0.8
95.17777	0.3
95.99120	0.3
101.02452	1.6
108.58148	0.3
113.02427	0.7
123.08168	0.4
125.06055	0.4
125.09738	0.3
133.03682	0.3
136.08478	0.4
141.96410	0.3
146.83015	0.3
161.04510	0.7
163.11287	3.2
165.12845	2.7
171.10251	2.6
181.12221	0.4
191.05629	0.9
191.10722	1.0
207.10367	0.4
209.11812	100.0
210.12167	4.9
227.12872	10.8
228.13242	0.5
235.08180	1.1
247.13452	1.9
253.09258	5.6
265.14493	0.5
326.34943	0.4
401.22964	0.5
445.20544	0.9
450.11356	0.4
482.98917	0.3
637.32330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.2
59.01365	2.2
67.02685	0.3
71.01375	1.8
73.02937	0.6
73.30937	0.2
80.02671	1.2
81.03448	1.4
83.01367	0.3
83.05022	5.2
83.42461	0.2
84.02161	0.7
85.02927	0.5
87.00890	0.4
89.02439	1.1
93.03457	0.5
95.05025	0.8
98.20654	0.6
99.61364	0.2
101.02445	1.8
104.73731	0.2
105.26581	0.3
113.02433	0.8
119.03539	0.3
123.08098	0.2
125.06060	0.6
125.09689	0.3
135.08168	0.5
159.36864	0.2
161.04568	0.7
163.11272	4.2
165.12810	2.5
168.21631	0.2
171.10262	2.3
181.12355	0.7
183.87796	0.2
191.05591	0.7
191.10744	1.0
192.39177	0.3
207.10260	0.4
209.11809	100.0
210.12158	6.6
221.11940	0.6
227.12863	12.6
228.13208	0.7
235.08189	1.4
247.13351	1.3
251.31534	0.2
253.09267	5.1
265.14304	0.6
324.52090	0.3
445.20889	0.7
518.57227	0.3
569.18860	0.3
637.32074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
57.05531	1.0
59.01376	10.9
59.30089	1.0
59.56641	0.9
61.98828	9.6
67.01894	2.2
69.03446	1.9
70.49020	2.6
70.49420	2.1
71.01382	11.7
73.02944	2.0
77.70484	1.2
78.95921	2.3
83.05025	1.8
85.02931	9.8
87.00886	2.7
87.29268	1.1
88.98814	1.3
89.02458	4.8
89.54176	1.0
93.03441	8.6
95.01427	6.0
96.96024	2.8
97.02983	1.3
97.11565	1.1
101.02445	5.6
108.02171	62.8
109.02953	34.3
109.03699	2.1
111.00902	1.4
111.04470	1.1
113.02466	2.2
119.03505	1.4
119.05034	3.1
121.02970	1.9
123.00019	2.0
123.00861	12.4
123.04529	1.4
125.02444	7.6
127.04059	1.6
135.04491	1.3
136.05310	4.1
137.02490	1.6
139.00389	3.8
139.04042	1.4
140.01157	2.4
150.06822	1.7
151.00377	2.0
151.04019	1.5
152.01146	61.7
153.01939	22.9
161.02480	2.8
163.04033	3.6
165.01974	2.0
165.09198	2.8
166.09604	1.6
166.99895	4.1
169.01462	5.7
173.04604	3.0
191.03589	9.9
191.05658	39.7
192.05981	3.8
195.03070	1.4
195.13995	2.8
209.11842	10.5
213.14990	1.6
227.03612	1.1
227.12953	5.6
253.09297	1.1
265.05118	1.0
279.19113	1.1
295.10568	1.1
299.01938	1.2
301.03198	1.3
301.07236	3.8
302.36682	1.1
326.11539	1.4
327.12378	2.7
375.20148	5.2
463.10806	1.8
478.12796	9.3
481.18393	1.6
493.15002	42.3
494.15353	7.0
510.31345	1.8
511.31439	1.8
610.12659	2.8
672.37469	4.1
673.27417	100.0
673.37592	11.6
674.27960	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	671.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09980	0.5
52.99312	0.6
56.98371	0.6
57.03433	1.1
58.77198	0.5
59.01376	4.2
71.01389	2.7
71.29845	1.2
73.02938	1.0
79.85449	0.5
81.03481	1.1
83.05027	1.8
84.07025	0.6
85.02948	3.7
87.00886	1.2
89.02449	1.1
93.03473	2.2
95.05038	0.8
97.02953	1.2
99.04549	1.4
101.02454	1.0
109.06607	4.2
111.04512	1.1
113.02438	1.1
125.09713	1.4
127.04050	1.1
135.04523	1.6
135.08168	1.6
136.05247	1.0
137.06070	1.0
148.05414	0.7
149.03313	0.5
149.06097	4.5
150.06859	39.7
151.07242	1.2
161.09708	1.1
162.06842	0.9
163.07637	11.1
163.11252	3.7
164.08418	5.1
165.12782	0.7
170.96463	0.6
171.10341	1.4
173.04507	1.3
176.08421	2.2
178.10025	2.9
179.10777	13.2
181.12447	0.8
185.11832	0.7
191.05611	22.5
192.04208	0.6
207.10240	11.9
208.10593	0.9
209.11823	21.9
210.12134	1.5
225.11314	12.6
226.11667	1.1
227.03442	1.6
227.12888	4.4
235.08237	0.9
253.09306	3.1
327.25522	0.7
329.23392	5.0
399.21637	1.2
405.00104	0.6
417.22757	1.1
430.30774	0.7
443.19159	1.3
445.33328	0.7
448.31943	7.8
449.32343	1.0
461.10486	0.6
461.20093	2.6
461.96829	0.6
462.33475	1.1
463.34280	12.3
464.34348	1.1
472.31665	0.7
490.33084	1.8
491.33502	3.3
508.33856	3.1
509.34753	30.5
510.35336	3.4
551.35962	1.0
596.38910	0.6
635.30652	1.3
653.31512	2.9
671.40302	100.0
672.40570	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	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01376	4.3
61.98820	0.8
67.01882	1.1
69.03463	1.1
71.01373	4.0
73.02945	1.3
74.12163	0.8
81.03455	1.8
81.34406	0.8
83.05012	3.3
85.02950	4.4
87.00877	1.9
89.02425	1.4
93.03471	3.4
94.89321	0.7
95.05024	0.7
97.02933	1.8
99.04544	0.8
101.02446	2.6
101.61964	0.9
107.46323	0.7
109.02960	1.2
109.06580	6.6
111.04510	1.5
113.02420	1.2
113.06127	0.9
121.06557	1.0
122.96824	0.8
125.09717	1.3
127.11181	0.8
133.02953	1.1
135.04570	3.9
135.08148	2.0
145.05109	0.9
149.06087	5.0
150.06865	45.2
151.07159	1.4
161.09709	2.1
162.06880	1.0
163.07649	10.7
163.11305	5.6
164.08363	6.1
165.12808	0.8
171.10300	2.3
173.04512	1.3
176.08461	2.2
178.10030	2.6
179.10785	15.1
181.12315	1.5
191.05614	31.7
207.10243	17.4
209.11827	32.1
210.12126	1.2
225.11302	18.7
226.11728	1.6
227.03525	1.6
227.12877	5.5
235.08194	2.0
253.09221	4.6
327.25473	1.2
329.23264	6.5
399.21970	1.2
417.23071	1.3
430.30963	1.0
443.19220	1.4
445.33603	1.0
448.31940	9.1
449.32327	1.5
461.20248	4.6
462.33112	1.1
463.34207	13.2
490.33112	2.4
491.33743	3.9
508.34085	4.2
509.34790	29.3
510.35184	3.5
551.34967	0.9
635.30957	2.3
653.31323	4.0
671.40375	100.0
672.40747	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	671.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
57.50981	0.5
59.01367	2.0
61.98815	2.1
66.00640	0.4
69.20743	3.4
69.21152	1.3
71.01379	0.9
71.36208	0.4
73.00425	0.5
73.02937	0.6
78.95903	0.9
80.82013	0.4
82.82920	0.5
83.05038	0.5
85.02943	2.3
87.00877	1.5
89.02406	0.7
93.03461	1.6
95.05032	0.8
96.96068	0.6
97.06588	0.9
99.04526	1.5
109.02958	0.9
109.06589	0.8
111.04510	1.1
111.08149	0.7
112.59108	0.5
113.02486	0.7
120.99599	0.5
121.02948	0.5
121.06586	1.0
122.03753	1.1
123.08128	2.0
125.02409	1.6
134.12059	0.5
135.04506	1.4
136.05295	28.1
137.05972	1.0
137.09686	0.5
147.08154	0.7
149.06100	4.1
150.06841	1.9
157.08688	0.9
161.02435	0.6
162.06870	0.9
163.07631	1.4
164.08406	2.2
165.09196	25.3
166.09566	1.0
169.01372	1.0
187.09676	0.6
191.05600	13.9
191.07333	0.7
192.10831	0.4
199.04210	0.5
207.10222	1.4
209.11836	2.2
214.70615	0.5
225.11278	1.3
227.03453	0.9
227.12929	0.5
227.82298	0.5
228.03975	0.5
229.10796	1.6
234.31683	0.5
259.96979	0.5
261.18591	0.6
306.18304	1.6
313.09149	0.5
319.53998	0.5
321.20770	2.9
343.21155	5.2
350.20926	3.9
379.24472	0.6
425.26682	0.8
427.28662	2.0
445.29431	1.6
463.30640	7.0
464.30850	1.0
490.29327	0.7
491.30103	1.7
508.30490	2.2
509.31067	24.1
510.31573	3.8
531.02155	0.4
671.36493	100.0
672.36749	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	671.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.2
59.01383	3.4
61.98827	7.3
65.00331	1.2
70.56332	2.2
71.01368	2.7
76.25056	0.6
83.05006	0.8
85.02926	2.5
87.00842	1.9
89.02454	1.2
93.03452	1.6
97.06599	1.4
101.02445	1.3
106.92529	0.7
107.01400	0.8
109.02950	0.8
111.04503	1.1
111.08139	0.7
114.11297	0.6
120.99616	0.7
121.06585	0.9
123.00843	1.6
123.08138	1.6
124.01637	2.1
125.02425	1.7
133.02969	1.4
135.04485	2.3
136.05295	32.1
137.02573	0.8
137.05624	1.5
147.08148	0.9
149.06047	5.6
149.99529	2.3
150.06879	3.6
151.00354	2.4
151.07639	1.1
153.27399	0.7
157.08653	1.3
161.02426	1.9
162.06836	1.0
163.07594	1.0
164.08365	1.9
165.01872	0.7
165.05591	0.8
165.07808	1.3
165.09206	26.8
166.09528	1.2
166.99919	0.8
168.00658	5.9
169.01399	1.2
171.10229	0.9
178.99788	0.6
179.03490	1.9
187.09717	0.9
191.05595	10.1
197.33327	0.7
199.03960	1.2
205.18954	0.7
207.10240	1.2
209.11765	2.8
225.11284	1.2
227.03508	2.1
229.10843	1.2
241.01384	2.6
242.02222	1.3
243.02943	3.9
245.00897	2.3
255.02876	2.6
270.01657	5.1
271.02478	7.1
298.01053	1.9
299.01932	25.0
300.02518	5.9
301.03366	1.6
306.18240	1.1
321.20670	3.0
331.12289	0.7
343.21289	5.8
350.20847	4.1
371.77728	1.0
427.28436	2.4
445.29529	1.4
461.07272	21.6
462.07797	9.2
463.08511	1.7
463.30490	5.1
464.30652	1.0
490.28738	0.7
491.10233	0.7
491.30112	3.7
508.30408	2.2
509.11072	1.3
509.31125	25.5
510.31473	4.9
510.38513	1.0
609.12634	2.2
671.16461	3.7
671.36450	100.0
672.17285	1.6
672.36768	18.8
682.74176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50994	0.5
57.03441	1.0
59.01378	10.7
69.03457	0.6
70.29029	2.1
71.01378	7.3
73.02963	1.3
80.02682	1.9
81.03445	3.0
83.01414	1.2
83.05025	7.5
84.02183	1.5
85.02956	2.5
87.00861	1.4
89.02440	4.1
93.03461	2.2
95.01418	1.1
95.05029	1.9
97.02945	6.2
97.06609	1.1
99.00895	1.8
101.02427	5.1
104.82222	0.5
107.04979	0.7
109.06586	18.7
110.03764	1.5
110.06895	0.9
111.04493	1.3
113.02455	2.3
119.03528	0.7
121.06602	1.5
123.08196	0.9
125.02444	0.7
125.06043	0.8
125.09736	2.6
135.04510	1.4
135.08176	2.9
136.05287	1.3
142.02710	1.2
145.05281	0.6
147.11787	0.5
151.07666	0.7
151.11235	0.7
161.04535	2.2
161.09769	1.2
163.11282	16.6
165.12860	2.3
171.10266	5.5
179.10818	0.8
181.12363	3.9
185.11888	3.4
189.09219	1.4
191.05606	4.6
191.10817	1.3
197.11853	0.7
199.23729	0.6
201.11301	2.0
207.10254	56.3
208.10614	3.0
209.11818	100.0
210.12157	5.7
213.87103	0.6
221.11736	0.8
223.13342	0.9
225.11319	35.2
226.11630	2.4
227.12869	13.6
228.13365	0.9
231.10271	1.5
235.08325	3.6
235.13400	0.8
243.12282	1.5
245.11897	0.7
247.13412	1.7
249.11250	1.8
253.09276	8.7
263.12888	1.5
265.14322	1.3
281.13751	0.6
299.15100	0.7
339.74133	0.6
360.57254	0.7
373.23911	1.2
381.20432	0.6
389.23651	1.0
399.21652	4.8
403.56934	0.6
417.22958	5.5
435.23404	1.1
443.19147	2.8
461.20206	10.7
462.20474	0.9
609.29297	0.9
635.30725	8.7
636.30890	2.0
653.31677	14.7
654.32355	2.8
671.32690	25.1
672.33228	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	671.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04127	0.6
53.68596	0.6
59.01376	11.0
60.86556	0.6
66.04048	0.6
69.62320	4.2
69.62714	1.1
70.93568	0.7
71.01379	5.2
73.02937	0.8
80.02687	2.5
81.03450	3.4
83.01381	1.4
83.05026	8.7
84.02167	2.2
85.02952	1.7
87.00880	1.5
89.02449	3.4
93.03452	1.7
95.05038	1.9
97.02933	5.4
97.06574	0.9
99.00884	1.2
101.02433	5.5
107.05052	1.1
109.06588	23.3
110.03759	0.8
111.04533	1.2
113.02458	3.1
121.06568	1.8
123.08108	1.1
125.06155	1.0
125.09731	2.5
135.08150	4.1
136.05275	1.7
142.02675	1.3
145.05063	0.7
161.04552	1.6
161.09644	1.9
163.11285	17.6
164.11646	0.9
165.12842	4.3
171.10245	3.2
179.10770	0.9
179.17255	0.7
181.12346	4.1
185.11842	1.8
189.09225	2.1
191.10776	1.5
195.70328	0.7
207.10248	65.0
208.10561	3.1
209.11813	100.0
210.12126	4.2
213.09294	0.9
217.12282	1.0
223.13350	0.9
225.11305	28.4
226.11667	1.2
227.12843	12.8
231.10269	1.4
235.08174	4.4
235.13412	1.4
245.11798	0.9
247.13454	1.2
249.11348	1.4
253.09245	11.2
263.12827	1.7
265.14340	0.8
299.15167	1.1
313.83582	0.8
353.71152	0.7
373.23901	1.0
381.20834	0.7
389.23557	0.9
399.21777	6.0
400.22113	1.1
415.54221	0.9
417.22769	6.2
427.97784	0.7
435.24231	1.0
443.18988	3.4
461.20276	11.4
462.20798	1.1
468.33270	0.8
509.28348	0.9
572.98389	0.7
635.30811	11.3
653.31689	13.9
654.32263	1.3
671.32800	25.9
671.44269	1.4
672.32928	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	671.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34518	1.2
59.01379	7.6
61.98835	6.9
67.01882	1.9
71.01392	5.9
71.53452	2.1
83.05019	2.5
85.02945	17.2
87.00854	5.1
88.98811	2.0
89.02418	1.5
93.03460	20.0
97.02930	4.8
99.00893	1.3
100.33137	1.5
109.02917	3.8
109.06597	1.5
111.04508	8.7
113.02457	2.1
120.99648	2.3
121.02943	3.8
125.02460	2.9
127.03999	3.8
131.97600	1.5
133.02919	6.2
135.04512	6.3
136.05264	3.8
137.02454	11.5
139.03998	1.5
139.08633	1.3
143.05028	2.5
145.02965	1.8
145.06616	2.0
151.00316	2.6
153.01917	1.6
154.86815	1.7
155.03526	1.7
155.04968	2.3
158.03790	1.3
159.04489	10.1
161.02440	23.4
163.00317	2.7
165.01915	31.9
165.09192	2.4
169.01440	3.4
169.02782	2.5
171.04518	6.6
173.02362	3.7
173.04503	13.9
173.06023	3.9
175.03966	3.1
177.01872	1.6
179.03496	5.5
182.03735	3.4
183.04506	30.5
185.02408	2.0
185.05984	2.7
187.00299	2.3
187.04056	1.7
187.09723	1.8
189.01906	2.9
191.05615	84.2
192.05943	2.3
197.02412	7.4
197.04509	14.3
198.03217	5.9
199.04018	24.0
200.04694	2.5
201.02017	2.4
201.05571	30.6
203.03503	12.9
207.10240	1.7
209.11818	3.6
211.04005	41.7
212.04375	3.2
213.01872	1.8
214.02609	3.2
215.03455	5.4
217.01431	4.8
225.01913	6.0
225.11314	2.2
226.02701	4.2
227.03502	59.0
228.03949	5.1
229.01381	4.7
229.05009	8.2
243.02960	3.1
245.04532	16.5
246.04840	2.2
249.03996	6.0
253.01437	19.3
255.02974	21.9
271.02417	5.4
273.04022	43.2
274.04352	2.7
281.00952	13.4
297.03995	2.2
298.01050	5.9
299.01959	68.9
300.02411	5.9
301.03662	1.6
317.03027	2.3
329.04480	2.0
331.06238	2.0
333.04288	2.0
349.07129	1.5
353.08917	1.9
373.03281	2.3
375.05145	2.2
401.02917	2.3
401.08527	2.5
403.04410	5.1
421.05655	1.5
429.02582	3.5
429.08179	29.9
430.08405	2.4
433.05258	3.0
435.07083	3.3
447.03595	15.2
461.05786	12.4
462.07422	1.7
465.04651	2.5
473.07230	100.0
474.07999	9.1
479.06149	19.3
480.06503	2.5
497.07114	2.2
515.11823	4.7
621.08966	2.8
639.09845	33.9
640.09808	3.5
653.11346	2.0
671.11816	12.7
671.36597	15.7
672.12183	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	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
53.82653	0.5
57.03445	1.4
57.64024	0.5
59.01373	1.5
61.98819	0.8
70.48324	0.7
70.48643	0.9
71.01383	1.3
73.02951	0.6
75.32158	0.5
75.42726	0.5
76.93337	0.4
80.17562	0.4
83.05003	0.8
85.02946	1.3
85.85881	0.4
87.00864	1.0
89.02457	0.6
99.04518	0.8
101.02476	0.6
101.46912	0.5
109.06580	0.7
111.08203	0.8
113.02414	0.7
113.06039	0.6
120.99640	0.7
121.06555	0.5
123.04542	0.7
125.09668	0.8
135.04497	0.5
135.08209	1.0
136.05237	0.7
137.06021	0.7
138.03191	1.2
149.06068	7.5
150.06856	49.7
151.07347	1.6
153.05580	2.3
161.02423	1.0
161.04547	0.6
161.09665	0.9
162.06964	0.6
163.03995	2.9
163.07635	10.1
163.11261	0.9
164.08424	6.7
171.10262	1.0
176.04823	2.3
176.08430	2.4
177.09151	0.7
178.06337	1.6
178.09985	2.9
179.10770	13.3
191.05576	1.7
191.07141	2.9
193.08672	0.9
207.10245	1.9
209.11830	1.5
223.09737	0.6
225.05911	7.6
225.11290	1.1
264.79718	0.5
279.23224	0.7
281.21118	1.3
313.07632	2.3
313.22620	0.4
325.23828	0.9
327.21817	5.9
328.21561	0.6
386.89600	0.5
387.11166	0.7
415.21420	0.6
415.28635	0.5
428.29257	1.6
443.31726	0.8
444.32175	0.9
446.30273	8.9
447.30634	1.2
460.31973	1.4
461.20450	0.5
461.32651	12.0
462.33154	1.4
475.12527	2.3
488.31348	2.1
489.32123	2.5
506.32449	3.2
507.33218	28.3
508.33557	4.4
625.28534	0.7
651.30298	1.5
669.38586	100.0
670.38989	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	669.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16082	1.4
75.69003	0.7
78.95914	1.6
84.61473	0.7
85.14452	0.7
91.49664	0.7
117.03461	22.9
118.03750	0.7
119.05016	4.9
122.57200	0.8
125.02536	0.7
135.04587	1.0
137.25819	0.6
145.02946	100.0
146.03313	2.0
152.99577	1.3
163.04004	2.8
163.96410	0.7
179.03505	1.0
197.47740	0.7
207.10240	1.1
209.11926	1.0
225.11366	0.8
296.25513	0.8
435.48022	0.7
467.31857	0.8
469.33112	1.0
507.57401	0.7
633.37897	99.7
634.38306	18.8
669.32281	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	669.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71994	1.0
59.01381	6.9
61.49070	1.0
61.98831	13.0
69.03476	1.4
71.01369	6.3
71.53467	1.4
73.02926	1.5
78.95907	2.6
81.03424	1.4
83.01392	1.1
83.05048	2.6
85.02967	2.4
87.00905	1.7
89.02463	2.2
95.04996	1.1
97.02988	1.5
99.00890	1.4
101.02444	4.8
109.06590	7.6
111.04543	3.0
113.02473	3.0
119.03578	1.3
121.02923	2.2
123.08142	1.6
125.09731	3.2
130.04268	1.0
135.08174	1.2
161.09671	1.5
163.11261	5.5
171.10269	1.4
177.09241	1.2
179.10779	2.2
181.12288	2.8
185.11818	1.8
189.09236	1.2
191.05585	2.9
195.13974	1.7
197.02187	8.6
197.11777	1.1
198.10129	1.1
199.13467	2.5
205.08725	2.0
205.12341	2.0
207.10255	16.8
209.11824	29.8
210.12137	2.5
211.13329	1.6
220.50670	0.9
221.11809	1.3
223.09842	6.9
223.13339	13.9
224.13666	1.2
225.11276	14.8
227.12869	9.0
235.08244	2.9
235.13435	1.3
253.09135	5.1
263.12866	1.7
280.42804	1.0
389.23813	1.4
461.20279	3.2
471.34784	100.0
472.35168	15.6
624.85010	1.3
625.29053	3.5
633.29346	1.6
651.30078	9.7
667.17029	1.3
669.30225	6.9
669.37952	15.8
670.30847	2.9
670.40082	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
59.01380	5.2
61.49732	0.4
63.13529	0.4
65.12639	0.4
69.03455	2.5
71.01373	4.3
71.05009	1.0
72.99290	0.6
73.02949	0.9
76.26463	0.4
80.02682	1.1
81.03471	1.7
83.05022	5.8
84.02135	0.6
85.02940	0.9
85.06638	0.8
87.00883	0.6
89.02451	3.2
95.05049	1.4
96.91672	0.4
97.06617	0.4
101.02446	3.1
107.05002	0.5
109.06583	0.8
111.08163	0.5
113.02434	2.1
119.03529	0.7
121.02999	0.4
125.09695	0.6
130.14064	0.5
135.08160	0.7
135.11829	0.5
145.05020	0.4
149.09724	0.4
161.04541	1.7
161.13412	0.5
163.11272	3.9
165.12820	1.8
166.22983	0.4
167.10773	3.0
171.10251	2.1
177.12866	0.7
179.05650	1.0
179.10808	1.2
179.14407	4.1
189.74742	0.5
191.10797	0.7
195.13892	10.1
196.14182	0.5
205.12320	9.6
206.12656	0.8
207.10260	0.6
209.11807	97.1
210.12138	5.3
223.13368	100.0
224.13721	6.7
227.12871	15.1
227.15147	0.6
228.13179	0.9
235.08162	4.9
253.09267	10.9
261.14923	3.7
408.74606	0.4
415.24756	0.9
445.20758	0.9
459.22263	9.3
460.22601	1.1
633.32739	0.9
651.33185	1.2
669.34845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.7
61.98829	2.4
69.03455	2.9
71.01378	15.7
71.02038	3.4
73.02935	2.3
80.02686	2.2
81.03451	7.9
83.05018	6.5
85.02942	4.2
85.08872	1.8
87.00873	3.6
89.02429	7.7
89.02934	1.4
93.03464	4.1
94.83698	1.5
95.01370	2.4
95.05023	3.8
97.02937	9.0
97.06571	6.9
99.00861	2.0
101.02444	13.9
107.05039	2.5
108.02143	2.2
109.02930	3.5
109.06590	37.4
113.02428	6.2
121.02957	1.9
121.06584	3.8
123.04536	3.2
123.08189	4.4
125.06098	2.0
125.09727	27.1
135.04564	2.6
135.08157	6.4
136.05299	2.3
142.02638	2.8
145.05048	2.5
161.04610	3.3
161.09665	4.4
161.54124	1.7
163.11285	24.6
165.12749	2.4
171.10284	4.1
175.11263	3.3
179.10796	2.5
181.12318	6.0
185.11758	3.0
187.09740	8.9
187.11159	2.0
189.09152	1.6
191.10681	3.0
194.20630	1.6
201.09195	1.6
205.08669	2.2
205.12103	1.7
207.10252	85.2
208.10562	5.2
209.11827	27.7
219.10320	3.9
219.13881	2.9
223.09645	4.3
223.13379	4.7
225.11319	41.0
226.11574	3.4
229.12196	2.2
235.08252	4.9
235.13383	4.2
237.11266	5.6
245.11726	3.2
253.09218	8.3
261.11252	2.7
263.12872	7.5
275.12909	1.8
281.13818	2.0
291.61118	1.9
299.14932	2.5
309.18454	2.2
327.19644	4.5
345.20706	2.8
353.17249	2.8
361.20123	2.6
369.20612	4.9
371.18491	4.5
371.22543	3.6
379.21063	1.7
387.21725	4.9
389.19556	4.4
397.20035	9.2
405.17599	3.2
405.22845	2.9
415.21262	24.1
416.21655	2.4
433.22452	9.0
443.19379	3.1
461.20392	10.5
507.26221	2.1
597.28931	7.2
607.27570	21.3
608.28308	4.5
623.30957	3.6
625.28564	44.1
626.28821	7.2
633.28992	11.4
634.28955	3.1
651.30164	100.0
652.30481	17.3
669.31134	45.2
670.31415	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	669.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
70.72667	1.8
71.01378	1.0
85.02945	6.2
87.00874	1.7
93.03442	2.4
96.96011	1.0
109.02942	1.0
111.04515	0.9
125.02455	1.1
127.03976	1.4
135.04524	1.1
151.00375	1.1
161.02455	1.7
169.01382	1.4
173.04521	0.9
179.03600	0.6
191.05597	100.0
192.06004	4.0
200.18396	0.6
211.02258	0.8
221.14201	0.6
258.08435	0.7
272.15979	0.6
315.07263	5.1
353.08746	13.1
354.08862	0.8
361.49384	0.8
560.88525	0.7
682.33240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62296	0.8
58.00590	0.9
59.01379	21.1
61.98826	9.9
62.87642	0.7
69.03441	1.6
71.01379	23.3
71.52602	1.0
72.99292	0.8
75.17909	0.7
78.95899	1.1
81.03480	0.7
83.01400	1.0
85.02958	1.6
87.00861	1.6
89.02442	29.6
93.03510	0.7
95.05035	0.8
98.66891	0.7
101.02443	9.4
113.02453	6.0
119.03521	4.8
131.03537	1.9
133.17262	0.9
143.03477	3.2
149.04552	1.1
161.04503	4.1
179.05594	14.2
183.48051	0.8
191.05588	2.0
207.10272	1.0
209.11774	1.4
223.13310	1.0
302.72638	0.8
343.95114	0.7
487.34265	100.0
488.27869	1.2
488.34604	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	669.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39085	0.4
59.01375	1.1
60.88529	0.4
61.80307	0.5
67.47943	0.4
69.88403	2.4
71.01367	1.7
81.03451	0.7
85.02937	5.1
87.00873	1.5
90.76391	0.5
93.03447	1.8
98.19952	0.7
101.02419	0.6
108.02172	28.6
109.02366	0.6
109.02971	9.5
111.04529	0.8
127.03999	1.3
127.74304	0.4
135.04524	1.4
151.04082	0.5
152.01146	23.8
153.01953	9.1
154.68925	0.5
161.02426	1.6
163.03970	0.8
165.01956	0.6
173.04549	0.8
179.03477	0.5
191.05603	100.0
192.05879	2.3
222.55200	0.5
315.07196	40.7
316.07495	2.9
353.08743	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	667.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16492	1.5
53.16780	1.4
56.22723	1.7
59.01368	18.3
61.98829	11.1
69.03447	5.9
69.23377	16.1
70.83687	2.0
71.01379	15.6
73.02927	3.6
78.95908	3.0
81.03455	4.9
83.05018	4.9
85.02946	6.2
87.00840	3.9
89.02447	8.0
91.53894	1.6
93.03456	3.9
95.04993	3.1
97.02937	11.4
97.06605	2.5
98.19923	3.1
101.02438	11.9
107.05066	2.5
109.05901	2.6
109.06591	37.1
110.06903	2.4
113.02427	5.6
119.03464	1.7
121.06613	3.7
125.02384	1.8
125.09714	1.8
135.04491	1.7
135.08154	3.4
136.05257	1.8
136.81201	1.5
138.74606	1.6
142.02696	3.7
161.04573	3.4
161.09720	2.9
163.11275	20.3
167.10713	3.0
171.10211	6.3
179.05594	2.5
179.10808	2.9
179.14340	3.9
181.12318	5.7
185.11761	6.0
191.05579	9.6
195.13902	10.4
205.12360	8.5
207.10254	100.0
208.10547	5.3
209.11766	6.7
223.13379	73.5
224.13809	2.6
225.11302	56.3
226.11749	3.9
235.08142	2.7
243.12312	2.3
253.09288	11.8
263.12927	2.7
309.20544	3.3
351.23230	4.6
377.21976	1.8
377.85785	1.7
385.23779	4.7
387.25409	3.1
395.22324	11.6
396.22702	1.9
403.24817	4.8
413.23227	21.6
431.24478	10.0
443.18936	6.4
459.22083	3.8
461.20291	22.7
462.20709	2.0
487.34265	13.6
488.34924	2.0
503.33441	3.1
621.32825	4.4
649.32288	35.6
650.32404	6.4
667.33484	47.3
668.34381	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	667.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29268	0.7
57.03439	1.6
59.01380	18.2
61.98832	4.0
69.03450	3.1
71.01382	11.1
71.05022	1.1
72.99300	0.8
73.02949	1.8
77.74271	0.7
78.73347	0.7
78.95885	1.1
80.02679	0.9
81.03446	4.8
83.01393	0.9
83.05028	3.7
85.02946	4.1
87.00870	2.4
89.02446	6.8
93.03461	2.7
95.01391	1.2
95.05019	1.5
97.02946	9.4
97.06567	1.0
99.00877	1.7
101.02451	7.1
103.86160	0.8
106.04248	0.8
107.05032	1.8
109.02972	0.9
109.06588	38.1
110.03723	2.2
110.06906	1.5
111.00838	0.8
113.02441	5.2
119.03486	2.5
119.98340	1.0
121.02961	3.4
121.06572	2.6
123.04513	1.6
125.09705	2.6
135.04468	0.8
135.08188	5.4
136.05296	2.2
142.02663	3.1
145.05055	1.7
149.02397	2.1
149.09740	1.3
161.04518	3.8
161.09695	2.6
163.11287	21.9
164.11641	1.2
167.10725	3.3
171.10252	1.0
177.12738	0.9
179.05576	1.8
179.10817	2.2
179.14410	2.6
181.12312	4.8
185.11877	4.3
189.09190	2.5
191.05600	2.4
195.13908	11.0
205.12273	8.7
207.10248	100.0
208.10625	5.4
209.11800	2.2
223.13383	71.3
224.13699	3.5
225.11302	48.1
226.11644	2.5
235.08203	3.5
235.13280	1.2
252.20883	0.9
253.09267	11.3
263.12918	0.8
281.13913	1.1
287.16599	1.1
299.14911	1.1
320.71286	1.0
351.23273	3.2
367.22775	1.0
369.20313	1.8
369.24329	2.2
377.21228	1.9
385.23956	4.1
387.21494	2.0
395.22220	9.9
396.22711	1.1
403.24841	3.3
413.23236	19.0
414.23749	3.7
431.24179	7.8
432.24527	1.1
443.19116	5.0
459.22269	1.9
461.14319	1.5
461.20288	22.2
462.20230	1.3
487.33875	2.4
621.32556	2.9
631.31067	3.9
637.37726	1.7
649.32220	30.0
650.32452	5.1
667.33307	40.5
668.33624	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	666.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.9
59.74866	0.5
61.98825	100.0
63.59547	0.6
78.95901	2.0
98.20589	1.5
152.99663	1.4
251.35696	0.6
457.93732	0.6
489.58490	0.9
671.57574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50507	0.8
55.01864	0.9
56.99878	0.8
58.00608	0.9
59.01076	1.1
59.01375	17.1
59.70828	0.8
69.03436	2.0
71.01382	11.0
71.52493	1.5
73.02969	1.0
83.01357	1.4
85.02952	4.6
85.06582	4.4
87.00881	1.5
89.02439	10.4
90.57091	0.8
93.03437	1.4
97.02892	1.3
101.02431	7.9
107.01327	1.1
113.02438	3.8
113.06084	1.9
119.03516	5.5
119.33557	0.9
125.02422	0.9
127.07652	0.8
131.07140	32.5
131.68224	0.9
133.02985	1.2
135.04541	2.4
143.03496	1.0
145.57867	0.9
151.04005	2.0
161.02431	3.0
168.96890	0.8
169.01445	1.6
173.04544	1.6
179.03429	1.8
179.05591	1.4
191.05598	21.3
194.99251	1.5
217.35277	0.9
293.12408	100.0
294.12790	6.8
305.12299	1.4
313.09198	1.2
353.08694	1.7
373.11328	1.6
475.08505	1.1
686.59424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1359
Annotation	circumcoronene
Peak:m/z	Relative Intensity
50.06176	0.7
50.35771	0.7
59.01372	2.3
60.67506	0.8
62.68579	0.8
66.11279	0.8
69.03455	0.9
71.01380	1.4
72.18776	0.7
73.86541	0.7
74.30484	0.7
85.02952	9.6
87.00864	2.6
93.03452	10.9
96.96004	5.2
96.96967	1.1
97.21665	0.7
97.99217	0.7
99.00883	0.8
109.02983	1.4
111.04493	2.6
121.02950	0.8
127.03991	2.1
135.04550	1.2
137.02513	0.8
143.05061	2.1
155.04973	1.3
159.04482	3.6
165.01865	1.2
171.03079	1.2
171.04494	4.2
173.04520	6.2
173.05916	1.5
180.04271	1.0
182.03687	1.6
183.04518	11.2
184.04785	1.0
191.05600	100.0
192.05873	3.7
195.06560	2.7
198.03203	3.5
199.03987	20.4
200.04607	1.8
201.05550	10.4
211.03984	16.1
214.02689	1.4
225.01935	1.1
226.02742	3.8
227.03470	56.2
228.03848	3.4
229.01321	2.4
229.05026	4.5
242.02087	1.3
243.34116	0.8
245.04503	3.1
253.01370	7.2
255.02979	27.8
256.03134	1.4
273.03986	21.1
273.06769	1.5
274.04294	2.1
281.00815	3.6
297.00464	0.9
298.01108	3.9
298.98965	0.9
299.01910	4.2
317.02829	2.5
447.09335	14.3
448.09351	1.4
473.07214	2.9
491.08304	54.3
492.08524	6.2
493.78738	0.8
665.13525	40.3
666.13599	4.8
678.60291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	4.9
63.31369	1.1
71.20615	1.1
78.95901	6.2
79.95736	1.9
98.19839	2.2
114.11673	1.2
122.97560	2.5
152.99515	2.5
160.04102	2.2
188.03522	3.1
198.04263	1.7
212.07196	3.4
218.04590	2.4
225.06731	2.3
226.03777	6.5
239.04529	2.2
239.08195	1.9
240.05513	3.0
241.06157	4.4
251.08177	2.1
253.06131	2.4
254.06976	2.9
255.07768	7.4
255.23238	3.0
267.04208	10.0
267.07507	7.6
267.11392	5.2
280.04883	2.4
281.05582	4.0
281.09039	2.4
282.06357	7.9
282.09180	1.2
283.07169	5.2
283.10834	3.7
294.06451	1.6
295.07224	18.7
296.07791	1.6
299.06674	2.1
309.08771	5.4
310.09512	2.7
311.10419	17.4
312.10529	1.5
315.09842	4.5
327.09891	1.8
337.08298	4.6
355.09082	2.4
633.38855	4.4
665.41681	100.0
666.41913	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	664.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98544	0.3
70.85022	0.6
74.66820	0.2
84.21384	0.3
88.25713	0.2
97.64725	0.3
152.99646	0.3
165.15770	0.3
220.04167	0.2
309.20761	0.8
310.07932	0.3
329.93710	0.3
493.00760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14735	0.2
61.98828	100.0
78.95925	0.3
95.12608	0.2
117.68713	0.2
191.08766	0.3
304.43103	0.2
307.19034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06176	0.7
50.35771	0.7
59.01372	2.3
60.67506	0.8
62.68579	0.8
66.11279	0.8
69.03455	0.9
71.01380	1.4
72.18776	0.7
73.86541	0.7
74.30484	0.7
85.02952	9.6
87.00864	2.6
93.03452	10.9
96.96004	5.2
96.96967	1.1
97.21665	0.7
97.99217	0.7
99.00883	0.8
109.02983	1.4
111.04493	2.6
121.02950	0.8
127.03991	2.1
135.04550	1.2
137.02513	0.8
143.05061	2.1
155.04973	1.3
159.04482	3.6
165.01865	1.2
171.03079	1.2
171.04494	4.2
173.04520	6.2
173.05916	1.5
180.04271	1.0
182.03687	1.6
183.04518	11.2
184.04785	1.0
191.05600	100.0
192.05873	3.7
195.06560	2.7
198.03203	3.5
199.03987	20.4
200.04607	1.8
201.05550	10.4
211.03984	16.1
214.02689	1.4
225.01935	1.1
226.02742	3.8
227.03470	56.2
228.03848	3.4
229.01321	2.4
229.05026	4.5
242.02087	1.3
243.34116	0.8
245.04503	3.1
253.01370	7.2
255.02979	27.8
256.03134	1.4
273.03986	21.1
273.06769	1.5
274.04294	2.1
281.00815	3.6
297.00464	0.9
298.01108	3.9
298.98965	0.9
299.01910	4.2
317.02829	2.5
447.09335	14.3
448.09351	1.4
473.07214	2.9
491.08304	54.3
492.08524	6.2
493.78738	0.8
665.13525	40.3
666.13599	4.8
678.60291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81609	0.2
61.98833	0.3
69.25528	2.5
77.99288	0.3
90.18275	0.3
95.05039	0.4
98.20689	0.5
105.03442	1.4
119.05065	0.3
132.02164	13.0
133.02962	7.6
134.03732	4.1
137.02454	0.3
149.06081	1.1
160.01649	69.7
161.02011	2.8
175.03990	86.0
176.04314	3.4
177.01923	1.9
178.02798	0.3
191.05675	0.3
193.05035	4.6
239.11629	0.3
315.14395	0.3
376.08673	0.3
409.27374	0.4
423.28821	0.4
425.30429	0.7
426.79584	0.3
437.30374	0.5
439.32095	0.6
455.31406	0.7
467.31677	0.9
469.33194	1.1
487.34415	0.4
524.91345	0.3
589.35565	0.4
648.36707	1.1
649.37354	0.4
663.38983	100.0
664.39301	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	663.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.7
79.11135	0.4
91.49818	0.4
93.03473	1.0
98.19893	1.2
105.03465	1.1
120.70415	0.4
132.02170	12.6
133.02962	8.5
134.03731	4.5
137.02397	0.6
141.20081	0.4
149.06059	1.2
160.01663	65.9
161.02000	2.5
175.04001	84.8
176.04356	3.7
177.01912	1.9
193.05072	3.9
194.05353	0.5
216.02464	0.5
389.05936	0.5
423.28888	0.5
425.30301	0.4
455.31958	1.0
467.31699	1.2
469.33325	1.2
578.27411	0.5
648.36859	1.2
649.36255	0.5
663.38989	100.0
664.39319	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	664.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
59.70483	0.2
61.98829	100.0
69.51157	1.6
76.91139	0.2
78.95915	0.7
145.02997	0.3
160.01685	0.5
175.03984	0.4
191.05658	0.6
235.16623	0.3
256.33820	0.3
290.08081	0.2
316.99246	0.2
553.18292	0.3
664.39734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.91887	0.7
78.95900	0.9
86.91154	0.3
119.07185	0.3
152.99651	0.4
155.36736	0.3
196.89516	0.6
203.79002	0.3
219.26321	0.3
248.54715	0.3
569.28491	0.3
665.37482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.41783	4.5
71.68208	0.5
78.95915	1.4
83.31833	0.5
97.14433	0.6
112.77934	0.5
122.23898	0.5
142.06223	0.6
144.56693	0.6
248.80991	0.6
337.13596	0.7
354.81876	0.6
375.39630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40325	0.2
61.98829	100.0
63.75695	0.2
69.16968	0.6
69.17390	1.0
78.95921	0.7
98.20683	0.3
121.47849	0.2
124.11836	0.2
152.99576	0.3
167.24902	0.2
209.11972	0.3
255.18784	0.2
255.23470	0.3
309.20737	0.3
415.21616	0.2
662.40851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08870	0.2
58.56383	0.2
61.98829	100.0
69.48730	1.3
69.49130	0.6
74.23323	0.2
78.95930	0.7
81.43105	0.2
81.43664	0.3
91.37987	0.2
102.53834	0.3
152.99579	0.5
209.11771	0.3
255.23222	0.5
295.07681	0.3
309.20807	0.4
313.44223	0.3
353.32635	0.3
355.23895	0.3
662.40436	0.4
674.31268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	53.2
61.98829	11.2
70.34399	5.3
70.64392	8.8
70.64722	13.5
71.01381	45.3
71.52157	5.6
78.95904	85.7
80.96503	5.9
85.02943	11.1
87.00888	15.9
89.02448	58.7
96.96957	10.5
101.02444	24.4
109.29046	7.3
113.02451	22.3
119.03477	20.4
119.49963	6.2
143.03448	11.7
152.99564	38.4
157.43324	7.1
161.04556	8.7
179.05608	25.7
191.05597	16.8
209.11818	12.7
210.12276	7.0
277.21732	100.0
278.21960	8.0
296.22952	11.8
319.22470	7.1
323.09842	30.4
341.10934	48.5
367.69952	7.6
433.22751	9.0
517.28644	6.7
519.69647	7.7
601.31897	8.3
661.36511	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.7
61.98814	8.9
62.02865	2.1
62.16149	1.9
69.20428	19.2
69.87411	2.0
71.01382	6.0
75.79171	2.0
78.95897	2.5
79.95879	1.7
82.95398	4.0
85.02943	7.2
87.00871	3.4
89.02477	2.2
93.03445	5.6
96.96016	16.5
98.20687	4.8
101.02435	2.5
106.06664	3.4
106.88008	1.8
108.04550	1.9
109.02929	2.8
110.06110	7.8
122.06114	41.5
125.02388	2.9
127.04006	3.8
133.02956	2.2
134.06102	7.4
135.04506	5.1
137.02425	3.7
144.04593	2.4
146.06111	2.4
150.31664	1.9
152.07132	2.4
160.06413	4.9
161.02370	2.3
161.04892	2.8
162.05630	2.0
169.01430	3.8
173.04607	5.0
174.05566	8.2
180.06589	4.4
188.07217	2.4
191.05609	35.7
192.05986	3.2
193.06134	2.3
197.11780	2.3
199.13016	2.2
203.05833	3.4
209.11807	2.9
213.10277	23.5
215.11931	2.4
223.08786	2.4
225.10269	3.7
237.10307	3.8
239.11938	21.0
241.13429	15.6
249.10252	3.2
250.11317	2.8
251.08131	2.6
251.11870	6.9
261.39209	2.4
263.08148	4.8
263.11844	2.1
264.09021	11.1
265.09872	10.0
265.12292	2.0
267.11386	4.4
276.09137	2.3
277.09891	4.4
279.08179	3.2
279.11221	12.2
280.11957	4.1
281.09253	3.2
281.12354	2.1
282.10147	2.6
283.10727	2.9
285.12430	64.2
286.12659	3.9
291.07993	2.8
291.11417	6.5
292.08554	16.1
293.09195	8.9
293.12875	7.3
305.09119	2.4
306.10114	4.8
307.10843	47.2
308.11633	17.1
311.10342	4.2
330.16110	2.4
340.10602	6.0
343.13007	4.9
344.17487	3.2
345.18399	2.8
350.08936	13.4
351.09814	36.0
352.10352	3.0
356.13959	5.2
362.18262	2.3
365.11365	2.4
368.17612	2.4
370.15570	11.8
371.16550	3.2
372.17615	2.5
394.18112	2.5
396.13184	2.3
397.14218	2.6
398.15024	11.4
399.15179	3.4
403.15070	3.2
412.16574	13.3
413.17468	12.5
430.17273	11.9
447.17929	4.9
448.18692	7.8
456.15625	2.7
462.20596	2.2
474.16833	4.4
491.17047	3.2
492.17709	13.5
506.19199	31.6
507.18890	2.7
511.23486	8.2
512.24329	3.1
520.20532	4.0
523.23401	4.1
524.20490	4.7
535.23834	18.8
536.23877	2.8
538.13849	4.1
538.21899	63.2
539.22009	8.1
553.24548	55.1
554.24445	10.1
556.23163	2.8
579.21704	5.0
585.26990	8.2
597.23456	57.2
598.23627	8.7
611.24615	7.8
617.39001	3.9
629.26147	100.0
630.26666	15.1
661.28949	32.1
662.28979	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	661.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01373	2.4
60.52417	0.5
61.98829	4.9
67.01884	0.8
69.03417	0.6
69.40341	1.7
69.40766	1.8
71.01378	2.5
72.99306	0.5
73.02937	1.0
78.95895	1.0
81.03477	1.1
83.05031	1.6
85.02946	14.2
87.00874	3.4
89.02430	0.9
93.03458	8.2
95.01413	0.6
96.95998	2.2
99.04503	0.6
101.02435	1.0
103.59054	0.6
109.02903	1.3
110.26028	0.5
111.00900	0.6
111.04518	1.3
113.02431	0.8
125.02406	0.5
127.04025	4.1
127.36336	0.4
133.02945	0.7
134.66029	0.4
135.04539	2.6
149.04498	0.5
157.16910	0.5
159.04526	1.1
161.02376	0.9
167.07100	1.6
169.01369	0.8
169.12294	0.5
171.02962	0.8
171.10304	1.4
172.05272	3.5
173.04564	2.9
174.03188	2.1
179.03445	0.6
185.06027	4.2
187.03993	2.8
188.04626	0.8
191.05602	100.0
192.05920	3.0
197.06107	0.9
197.11830	4.6
199.04034	3.2
200.04700	1.2
201.11314	1.4
203.03429	0.7
204.04253	1.1
209.06068	1.9
209.11813	2.5
211.04024	0.7
211.13428	0.4
213.05566	3.4
215.12930	0.7
223.07610	0.6
227.03462	2.7
227.12880	0.8
228.04257	0.6
229.04997	1.0
231.02921	0.9
235.07776	0.5
242.10199	0.7
249.09119	1.0
253.04977	1.0
254.05855	0.6
257.04462	1.2
258.12607	0.5
263.10672	1.0
267.06619	1.2
283.13388	6.8
284.13760	0.6
301.14539	1.9
309.14944	1.4
311.16522	0.6
315.13568	1.0
316.13666	0.7
325.10791	1.5
325.14450	1.8
326.11621	1.1
327.12387	0.8
327.15973	2.1
337.14493	1.0
343.15369	1.6
356.16269	1.2
371.15030	1.2
372.15518	0.7
389.20959	3.4
390.21405	0.6
399.14420	2.0
400.14969	1.0
407.22198	5.4
408.22626	0.7
425.23367	4.1
426.23642	1.0
433.20218	1.3
451.21237	15.8
452.21625	1.6
469.22272	52.2
470.22672	6.7
489.24008	0.5
499.25177	0.9
585.26178	0.6
603.72131	0.6
617.38177	0.5
642.79529	0.5
661.28528	4.4
662.29980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47463	0.2
61.98826	100.0
71.43222	0.5
73.27647	0.2
75.46823	0.2
78.95894	1.3
99.47029	0.2
103.66353	0.2
152.99631	0.5
163.11382	0.2
197.11899	0.3
207.10202	0.4
250.85760	0.3
514.46362	0.2
558.23920	0.2
599.39929	0.2
613.26605	0.3
660.39368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.2
59.01364	1.3
61.98818	0.4
64.02523	0.2
67.01875	0.2
69.47698	1.3
71.01395	1.2
72.99298	0.2
73.02934	0.3
82.22298	0.2
83.05016	0.6
83.82056	0.2
85.02455	0.3
85.02948	5.4
87.00885	1.2
93.03455	2.5
96.95996	0.2
99.04510	0.2
100.55124	0.2
101.02435	0.3
109.02917	0.4
111.04504	0.8
113.02411	0.2
127.04030	1.5
127.13593	0.2
133.02960	1.8
134.03729	0.4
135.04524	8.0
136.04825	0.3
151.11252	0.8
152.11638	0.3
153.09254	0.2
161.02428	6.2
163.11229	0.3
169.12337	3.6
170.12679	1.9
171.03033	0.4
171.10202	0.2
171.12846	0.4
173.04524	1.1
179.03476	4.3
180.03864	0.3
191.05602	100.0
192.05927	2.7
197.11876	0.2
209.11800	3.4
209.14789	0.2
210.12141	1.7
211.12465	0.4
213.11372	0.7
213.67102	0.2
214.11696	0.3
253.09386	0.4
307.08188	0.2
307.19211	0.6
325.20056	1.5
353.08737	8.6
354.09085	0.5
369.19739	0.2
449.20422	0.3
450.20575	0.3
451.21658	0.3
499.25873	0.6
633.31152	0.3
660.33594	0.7
661.33789	6.7
662.33789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92116	0.5
57.03452	0.6
59.01355	0.7
61.98828	3.0
67.87553	0.5
71.10049	0.7
71.10394	1.0
74.10043	0.5
78.95905	100.0
82.31974	0.5
83.05024	3.0
93.89826	0.5
96.96965	8.5
97.06602	0.5
113.09711	1.4
134.98563	0.9
150.98050	1.1
151.75226	0.6
152.99585	52.6
163.11278	1.5
165.12885	1.3
171.00667	1.4
179.14317	0.8
181.12349	0.7
191.05627	1.7
194.28593	0.6
195.13889	12.0
209.11815	26.5
210.12068	1.7
227.12852	4.4
277.21713	10.3
278.22165	0.7
293.21326	0.6
295.22760	40.2
296.23117	3.0
363.12158	13.4
364.12372	1.4
381.13000	1.6
431.22034	26.6
432.22372	1.9
449.23068	9.9
659.35632	51.9
660.36017	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	659.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.3
69.43008	4.5
74.68365	0.6
78.17210	0.6
78.95901	100.0
79.95555	0.6
80.02654	1.3
81.03487	1.0
83.05030	4.2
84.02161	0.7
84.45784	0.6
95.05007	0.7
96.96967	7.8
112.28575	0.5
113.09750	0.8
125.06062	0.9
134.98515	1.2
135.08139	0.9
147.45337	0.6
150.98073	0.8
152.99579	61.8
153.99901	0.8
163.11316	4.0
165.12808	2.3
171.00630	1.7
172.50801	0.6
181.12305	0.8
181.69446	0.6
191.05617	1.6
195.13882	6.7
209.11809	62.5
210.12134	3.3
227.12895	7.7
228.13152	0.7
277.21747	6.1
278.21832	0.7
278.70895	0.6
295.22754	27.4
296.23135	1.9
307.58975	0.6
363.12119	37.1
364.12366	2.9
381.13251	8.8
382.13596	0.7
431.21988	12.7
449.23175	3.6
659.35626	59.4
660.36078	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	659.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03431	2.6
59.01136	0.7
59.01378	7.0
61.98813	1.0
69.03434	1.4
69.30554	6.0
71.01382	5.8
73.02977	1.0
79.92091	0.7
80.02658	1.5
81.03447	1.8
83.01401	1.3
83.05025	7.6
84.02160	1.4
85.02930	2.4
85.74409	0.8
86.21645	0.9
87.00874	2.0
89.02444	4.1
95.04989	1.6
97.06593	6.2
101.02445	5.2
113.02420	2.9
119.03468	1.8
125.09735	1.0
133.10175	1.0
141.25946	0.7
143.29533	1.0
145.05000	1.1
151.11281	18.9
152.11636	1.1
161.04494	2.0
163.11244	5.5
165.12842	3.4
167.39296	0.8
169.12331	72.3
170.12663	3.1
191.05569	3.0
191.10741	1.4
195.10201	4.1
209.11807	85.7
210.12201	5.6
211.13400	1.2
213.11304	12.3
227.12846	9.8
235.08221	1.8
253.09291	5.9
285.12744	1.2
337.04239	1.0
390.49631	0.9
431.19217	2.9
449.20306	7.4
450.20428	1.1
554.36578	0.9
561.33014	0.9
627.24774	1.5
641.32202	3.9
659.32843	100.0
660.33081	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	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28460	1.4
53.00960	1.6
55.70203	2.0
59.01375	8.7
61.98827	28.6
71.01376	6.8
71.05040	1.7
71.53770	1.8
73.02953	1.6
73.25140	1.4
78.95919	3.0
83.05005	1.7
85.02956	12.8
87.00880	5.4
89.02471	2.4
93.03444	9.9
94.06612	3.1
95.05000	1.6
96.80620	1.6
96.96007	7.0
97.02951	2.5
101.02448	2.3
109.02996	3.5
111.04534	2.7
113.02456	2.4
122.06121	9.9
125.02414	2.7
126.90422	3.0
127.04016	3.9
133.02960	1.6
135.04498	4.0
137.02402	2.4
137.14828	1.7
139.04007	13.4
161.02417	4.2
165.01945	2.6
167.10712	2.1
169.01366	2.2
169.12331	1.9
171.10265	7.0
173.04579	4.1
179.03445	1.9
185.11844	7.4
191.05609	100.0
192.05951	3.5
195.10184	4.4
197.11868	3.2
209.11830	22.2
210.12170	2.5
213.11336	6.3
223.73079	1.7
227.12883	7.1
239.12138	3.0
249.10362	3.1
251.08223	1.9
251.12741	1.7
253.09334	4.0
263.08292	12.7
264.08127	3.0
265.09744	6.2
275.68625	1.8
276.09067	1.9
277.09766	13.0
278.10654	4.3
279.11304	6.6
281.08798	2.0
291.07742	54.3
292.08286	4.7
293.08969	2.7
299.09903	1.7
305.09329	8.5
306.10043	59.0
307.10770	8.8
310.09604	2.2
321.12384	5.9
331.24686	2.4
337.12067	2.6
338.09009	7.5
347.09457	3.7
350.09048	94.6
351.09686	7.9
353.13904	1.9
365.11325	15.0
368.14420	2.7
370.11597	3.3
386.70325	1.7
396.13474	11.2
397.13815	3.4
410.15262	2.7
411.15884	7.4
423.14383	6.6
428.16122	6.9
441.15448	4.5
442.17932	2.3
443.14355	2.7
446.17404	9.8
447.17471	1.9
455.14719	2.8
460.18701	4.4
467.13501	23.0
468.13864	2.5
474.20581	1.9
478.19678	6.1
487.17392	6.8
490.16202	34.7
491.16379	5.9
497.19434	2.0
505.18390	19.9
506.18686	2.7
522.18976	14.0
537.21033	7.4
551.23071	17.0
552.22919	2.9
565.24902	4.2
566.33405	3.0
583.25519	7.7
584.25513	2.5
595.21722	7.0
627.14215	3.2
627.24603	62.2
628.24817	12.3
641.26630	5.3
659.27075	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	659.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46352	0.5
57.58283	0.5
59.01367	4.2
61.55196	0.5
61.98834	3.2
69.03469	0.8
71.01389	4.4
73.02945	1.6
80.02679	0.7
81.03455	1.3
83.01389	0.6
83.05022	3.7
84.05373	0.7
85.02943	6.9
86.03269	0.6
87.00877	2.2
89.02435	2.3
93.03464	3.8
95.05024	1.2
97.02944	0.8
99.04504	1.0
101.02447	2.2
107.05006	1.2
109.02943	1.1
111.04501	1.8
113.02462	1.3
125.02475	0.8
125.06097	1.1
125.09733	1.6
127.04002	2.3
133.02953	4.3
134.03743	1.4
135.04530	37.2
136.04875	0.7
143.03423	0.9
144.34868	0.5
153.09218	1.3
155.03610	0.7
161.02432	22.1
161.04607	1.2
163.11275	2.0
165.12837	0.9
169.12337	1.2
171.10239	1.1
173.04517	3.2
175.06082	1.6
179.03490	26.0
180.03856	0.7
181.12360	0.7
183.13940	2.3
184.14204	1.5
185.11812	2.0
187.09712	0.9
191.05605	100.0
192.05966	3.9
193.12372	0.9
197.11795	1.9
199.13393	0.8
207.10260	1.3
209.11823	41.4
210.12169	19.1
211.13489	36.5
212.13754	21.9
213.11134	0.7
213.11676	0.8
213.13939	8.0
225.11250	1.9
227.12906	5.6
228.13109	3.1
229.13229	0.7
235.08098	1.4
236.08492	0.7
237.08708	0.7
253.09096	3.5
254.09669	2.0
255.09769	1.8
263.16461	0.7
271.11874	3.2
287.16562	0.8
305.17545	10.6
307.08194	4.7
309.13614	0.7
323.18643	12.7
324.18991	0.9
335.07764	1.2
353.08743	13.1
353.12991	1.0
354.09256	0.8
387.14465	1.0
447.21863	0.9
449.22903	0.9
461.21844	2.1
479.22873	6.4
497.23935	10.3
498.24063	0.8
599.34241	1.8
641.26013	1.3
659.25598	4.2
660.27600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	0.8
59.01379	1.0
65.57316	0.3
67.01878	0.4
71.01379	0.9
71.10101	0.5
71.10429	0.3
74.02460	1.7
77.07491	0.3
83.05016	0.4
85.02951	8.7
86.02472	0.7
86.03323	0.3
87.00883	1.8
87.05682	0.3
93.03453	3.5
99.05651	1.5
105.03470	0.5
105.50703	0.4
107.04999	0.3
109.01121	0.7
109.02948	0.8
111.04513	1.3
125.03529	0.4
127.04029	1.7
128.03543	4.7
131.01422	0.3
132.02182	0.7
133.02945	2.8
137.00650	4.5
139.02216	0.9
143.03542	0.6
143.04626	6.3
145.06166	0.9
146.04561	1.0
160.01666	5.9
163.99338	0.6
165.00165	7.0
167.01718	10.9
167.08237	0.5
171.02928	0.7
173.04538	1.5
179.04611	1.2
191.05602	100.0
192.05959	3.8
192.99631	63.2
193.99948	2.2
210.08867	1.3
211.00713	4.6
254.07845	2.5
268.02802	0.7
272.08878	11.0
273.09183	0.7
306.07660	1.3
312.06323	0.4
337.05002	0.5
351.07196	0.5
364.41455	0.3
379.06100	0.6
385.05948	31.5
386.06256	2.3
448.08185	0.5
466.09177	7.4
467.09399	0.9
658.15436	5.7
659.16248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01372	1.7
61.98816	1.7
67.39225	0.5
69.29967	3.9
71.01366	1.8
72.17673	0.6
78.95895	2.0
83.01360	0.7
85.02958	0.9
86.63899	0.6
87.00864	0.6
89.02434	1.1
93.03454	9.6
96.95997	1.4
98.20689	1.0
99.04514	0.7
101.02423	1.1
101.93497	0.6
109.02937	0.6
116.25957	0.5
121.06602	1.1
122.03696	0.9
125.02419	1.2
135.04518	2.6
136.05295	38.5
137.02440	16.6
137.05873	1.0
147.08105	0.8
149.06081	8.3
150.06882	4.5
151.00470	0.7
162.06824	2.1
163.07629	1.3
164.08371	5.2
165.09203	16.0
169.01384	1.4
173.04626	0.7
191.05562	3.8
197.15434	0.7
209.11797	7.0
210.12082	0.6
211.13380	4.9
227.12936	1.4
253.09254	0.8
257.13025	2.6
283.22852	0.8
301.11954	2.7
306.81537	0.7
327.25317	0.9
329.23285	5.5
330.23456	0.6
363.25024	0.7
431.31683	1.4
434.30286	4.0
448.31781	1.1
449.32651	16.5
450.32877	1.7
469.47833	0.5
476.31409	0.8
477.32468	3.4
486.02371	0.6
494.32358	3.1
495.33200	31.1
496.33951	3.3
496.40796	0.5
657.38519	100.0
658.22144	0.7
658.38788	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	657.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01377	3.0
69.07576	0.3
71.01387	2.9
73.02937	0.8
80.02668	0.9
81.03459	0.9
83.01381	0.5
83.05027	4.6
84.02177	0.4
85.02962	0.8
87.00845	0.6
89.02431	2.5
95.05025	0.8
101.02406	2.7
109.06603	0.4
113.02438	1.2
119.10081	0.4
125.06091	0.6
135.08104	0.4
161.04527	1.1
163.11288	2.9
165.12848	2.4
167.14427	0.4
171.10258	1.4
179.05632	0.6
181.12231	0.4
183.13913	5.5
191.10814	0.6
193.12315	1.4
209.11818	100.0
210.12175	5.9
210.14095	0.2
211.13383	88.9
212.13745	4.7
227.12871	13.0
228.13138	0.6
235.08246	3.1
249.14920	0.9
253.09286	10.4
254.09607	0.5
276.18539	0.3
349.67227	0.3
403.24799	0.7
429.21289	0.5
445.20712	1.1
447.22372	2.9
621.32977	0.8
639.33722	0.9
657.35406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03430	0.9
59.01379	2.7
61.22995	0.6
61.84028	0.5
61.98811	2.3
68.99574	0.5
71.01363	1.7
71.16467	1.1
78.95903	1.2
79.39863	0.5
79.95717	1.2
84.59852	0.4
85.02946	1.6
87.00883	0.9
88.98779	0.7
89.02422	0.9
93.03458	0.5
95.05049	0.7
96.95986	0.7
99.04483	0.6
101.02410	1.0
121.06625	0.8
122.03718	0.9
122.06079	2.4
123.04547	0.9
135.04485	2.3
136.05295	33.1
136.07602	3.5
137.05981	0.7
139.04047	3.1
147.08128	1.0
148.05280	0.8
149.06071	8.2
150.06853	7.4
151.07791	0.4
152.07111	0.9
153.01918	0.5
155.10742	0.6
161.04567	0.6
162.06848	2.3
163.07596	2.0
164.08418	5.0
165.09201	14.4
169.01418	0.7
171.10213	0.6
171.11674	0.5
179.07156	0.9
179.10783	1.3
183.13799	0.7
187.80118	0.5
190.05032	0.9
191.05580	3.1
195.06653	0.5
198.09167	0.7
204.81453	0.6
209.11801	7.0
211.13382	8.8
214.12358	3.2
227.12929	1.1
229.09802	1.5
230.11774	0.8
241.09763	2.0
241.14265	0.4
242.10623	4.4
243.80267	0.5
253.09259	1.1
257.12924	22.5
258.13287	2.0
260.77780	0.5
265.21652	1.1
282.71027	0.5
301.11920	28.6
302.12283	2.5
315.21762	1.3
329.23337	6.5
346.58865	0.6
355.12939	1.8
431.31717	1.9
434.30157	4.1
448.31796	0.7
449.32742	14.4
450.33084	1.6
476.31454	1.5
477.32303	3.0
478.32687	0.8
494.32547	3.2
495.33224	29.8
496.33347	4.0
567.52045	0.6
657.38519	100.0
658.38922	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	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
59.01383	3.2
62.54984	0.3
69.03471	0.6
70.86112	0.5
71.01373	2.4
73.02951	0.5
80.02681	0.8
81.03442	1.2
83.01387	0.6
83.05032	3.5
84.02159	0.7
85.02946	0.7
87.00863	0.6
89.02444	2.2
92.33170	0.3
95.05032	0.6
101.02436	2.3
113.02427	1.5
119.03494	0.4
125.06084	0.3
130.66072	0.3
135.08168	0.6
145.05066	0.8
161.04559	1.0
163.11275	2.6
165.12779	2.0
167.14372	0.6
171.10255	1.3
179.05544	0.5
183.13904	6.9
184.14268	0.3
191.10794	0.7
193.12349	1.7
193.76234	0.3
203.82907	0.3
209.11812	73.9
210.12155	4.3
211.13377	100.0
211.48169	0.3
212.13712	6.0
212.15631	0.5
227.12869	11.0
228.13168	0.6
235.08244	2.8
249.14944	1.1
253.09277	8.1
254.09660	0.4
297.59323	0.3
403.25162	0.6
421.25931	0.5
429.21509	0.3
445.20691	1.0
447.22275	3.9
448.23105	0.3
516.71088	0.3
523.81152	0.3
621.32916	0.9
639.33380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3409
Annotation	Dianthin B
Peak:m/z	Relative Intensity
53.42138	0.7
54.96716	0.7
59.01369	1.8
61.98832	6.1
62.96406	0.8
71.01328	0.8
71.52228	1.1
78.95902	100.0
80.02671	1.6
81.03426	0.9
83.05022	6.5
86.36218	0.9
95.05052	1.3
96.96960	10.6
107.70964	0.8
125.09673	0.8
134.98465	1.0
135.08167	1.0
139.97856	0.7
141.01688	1.1
150.98006	1.2
152.99577	58.9
153.99928	1.1
163.11270	4.6
165.12854	2.6
171.00615	1.0
171.10205	0.8
176.74559	0.8
181.12344	1.3
191.05684	1.6
191.10765	0.8
195.13861	2.8
209.11813	67.2
210.12183	3.6
211.13368	5.7
223.13326	2.1
227.12849	7.7
265.21896	0.9
267.22122	0.7
275.20120	1.3
293.21237	15.7
363.12125	43.5
364.12402	2.4
381.13177	8.3
382.13422	0.8
429.20346	9.8
430.20844	1.1
447.21622	3.9
507.09476	0.9
657.34045	47.9
658.34503	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	657.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75903	1.3
59.01378	100.0
61.98832	1.9
63.97404	1.3
69.49799	3.5
69.50205	6.0
70.56496	1.2
71.01355	1.8
81.03446	1.9
85.02948	4.2
87.00858	3.3
88.98827	2.5
93.03462	9.5
97.02876	1.3
109.02971	2.5
111.04536	4.5
116.92897	1.7
125.02432	4.8
135.04539	5.1
137.02432	6.0
139.03990	4.0
153.01915	2.3
155.03491	4.9
159.04369	1.4
160.28528	1.4
161.02415	6.4
164.01183	1.7
165.01926	41.3
166.02257	2.5
169.01416	8.5
169.02759	1.8
173.04529	3.6
176.04779	2.4
179.03485	27.1
180.04276	27.0
183.02924	6.7
185.45343	1.2
191.05609	43.3
194.05817	15.2
195.06607	49.8
196.07021	1.7
199.04161	2.8
209.08170	28.4
210.05336	8.1
210.08540	1.6
220.78395	1.4
225.07669	83.3
226.08018	4.8
280.57477	1.4
343.06732	5.1
353.08768	5.8
357.09732	4.2
360.94885	1.3
372.12119	4.4
387.14447	32.4
388.14575	2.3
435.16531	18.3
435.79510	1.4
436.17169	1.7
472.96188	1.4
477.14197	4.7
495.15411	4.0
505.09851	4.9
516.21106	1.6
657.18469	42.0
658.18561	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	657.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.9
61.98825	4.6
68.19088	0.9
78.95903	100.0
80.02658	1.1
83.05025	2.2
89.51107	0.9
96.96962	7.8
108.47704	1.0
134.73186	1.0
134.98572	2.1
141.27507	1.0
152.99582	50.6
163.11288	2.8
165.12822	1.0
171.10268	1.1
191.05626	2.1
195.13881	5.8
209.11812	35.3
210.12180	2.2
211.13403	6.8
223.13362	4.1
227.12851	7.8
253.09503	1.2
275.20123	3.1
293.21185	24.9
294.21637	1.6
331.71454	1.1
363.12201	13.0
381.13126	2.2
429.20416	25.6
430.20917	1.7
447.21503	9.5
525.39081	1.0
611.22028	1.2
657.34039	52.4
658.34412	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	657.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84678	0.6
59.01367	2.1
63.02392	1.1
65.00328	2.1
71.01376	3.0
71.53374	0.9
83.01382	2.6
85.02945	2.2
87.00875	0.6
89.02413	0.7
91.01889	0.6
93.03449	2.6
107.01389	6.3
107.05096	0.7
109.02934	6.3
111.04501	0.8
113.02467	1.4
121.02966	6.7
125.02421	1.6
133.02934	2.6
134.03702	1.0
135.04524	12.8
145.03056	0.8
149.02435	2.6
151.00362	22.9
151.01579	1.1
151.03975	0.7
159.04582	1.0
161.01088	0.6
161.02457	1.9
163.00316	2.9
163.03955	0.9
169.01366	3.3
173.04530	1.2
175.00363	1.0
175.02429	1.4
177.01894	9.6
178.99849	12.6
179.03481	1.5
183.04539	1.2
187.04059	1.0
190.02586	0.7
191.05586	7.1
193.01373	1.0
197.71225	0.6
199.04015	0.8
203.03423	0.8
205.01410	2.1
211.03983	1.8
227.03632	0.8
229.05064	1.6
239.03510	1.1
245.04601	1.5
255.03001	3.3
256.03760	1.2
257.04657	1.1
266.01825	0.6
271.02402	1.0
273.04095	2.0
283.02396	1.5
299.05701	0.7
301.03516	100.0
302.03876	7.1
327.05072	23.4
328.05496	1.6
343.06790	0.9
371.49384	0.7
477.06757	46.2
477.13644	1.5
478.07004	4.5
495.08279	0.9
495.15326	1.1
503.08264	4.4
657.08862	1.0
657.19275	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	657.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.62042	0.6
61.98816	1.5
63.02391	1.9
65.00320	4.3
67.18229	0.5
69.26090	1.4
69.26507	3.2
71.01388	2.8
71.81233	0.5
72.99281	0.7
75.00862	1.2
76.93062	0.5
79.25036	0.4
82.05278	0.5
83.01389	3.7
85.02956	2.9
87.00877	0.6
89.02420	0.7
93.03448	2.1
95.01351	0.8
98.20617	0.8
99.00880	0.9
103.00381	0.9
107.01389	8.6
109.02956	3.4
110.03307	0.5
113.02440	4.9
119.01405	0.5
119.74391	0.5
121.02953	9.5
124.01602	0.6
125.02438	2.7
130.88828	0.5
135.00949	0.5
135.04536	7.1
149.02438	1.7
151.00374	36.6
152.00668	1.1
161.02461	2.7
163.00377	2.0
163.03992	0.7
164.01118	0.6
169.01457	4.0
173.04590	0.6
175.02461	1.9
175.03947	0.8
178.99863	17.1
179.03453	1.8
183.04524	0.7
185.06154	0.6
187.03964	1.0
191.05609	16.7
192.00548	0.7
192.05978	0.8
193.01404	1.2
193.03586	1.1
199.04063	0.7
201.05580	0.8
202.99965	1.2
203.03259	0.5
204.04030	0.5
211.04053	2.0
216.00653	0.5
227.03571	1.0
229.05067	1.2
237.67204	0.5
239.03459	1.2
245.04471	1.9
255.02975	2.5
257.04547	1.2
271.02481	1.7
273.04053	2.0
281.10757	0.8
283.02493	1.4
285.04120	0.8
299.01941	1.7
300.02646	3.5
301.03519	100.0
302.03912	6.0
307.02563	1.6
313.03439	4.5
323.01859	1.4
343.06531	1.0
352.02209	0.5
353.02927	1.3
353.08716	3.2
384.04813	2.4
385.05640	3.2
451.06406	0.6
463.06671	27.6
464.07275	3.0
477.06641	8.3
478.07056	1.3
481.07785	18.1
482.08005	1.9
505.09750	2.7
547.10760	7.4
639.09851	1.2
657.10577	4.5
658.11768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.8
61.17607	0.9
61.98830	83.6
65.00307	1.0
71.01384	4.4
71.53454	1.3
78.95918	9.7
83.01373	1.2
85.02964	2.1
87.00871	2.3
89.02473	2.6
93.03445	4.0
96.96011	3.0
99.04491	1.8
101.02441	2.0
105.63059	0.9
107.01363	1.7
109.02917	1.5
110.45261	0.9
113.02475	1.0
117.03429	1.7
119.05016	3.7
120.99702	1.5
125.02462	2.8
130.19478	1.0
133.02940	2.1
135.00880	1.3
135.04521	2.1
137.02441	1.9
139.04048	2.4
141.31030	1.0
145.02948	8.6
151.00372	4.5
153.01917	1.9
161.02426	3.3
163.00389	1.7
163.03983	1.9
169.01346	1.4
173.04546	1.8
179.03465	1.6
185.06062	1.8
191.05605	15.0
192.05974	1.1
209.11801	2.3
211.03989	2.1
213.05553	1.5
221.13615	1.1
227.03479	22.0
228.03993	2.1
229.05025	5.9
235.13388	1.4
255.02968	38.9
256.03583	5.2
257.04523	5.9
284.03250	52.2
285.04016	66.0
286.04404	3.3
307.08148	2.3
475.27054	5.4
476.27466	3.5
593.12994	100.0
594.13312	13.6
656.34888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75646	0.5
57.03448	1.2
59.01375	4.7
61.98827	4.0
69.03458	0.8
71.01371	3.0
71.53128	0.9
78.95903	23.5
81.03447	0.6
83.05032	2.3
85.02966	0.9
87.00842	1.0
89.02426	1.2
90.67136	0.5
96.96983	1.5
97.02934	1.0
97.98730	0.6
99.04559	1.0
101.02485	1.0
102.98601	1.8
109.02990	0.6
109.06590	1.1
111.08180	0.8
116.92764	0.6
119.03495	0.6
121.02951	0.7
121.06602	2.0
122.03720	1.6
123.04552	0.8
125.02472	0.7
125.09708	0.8
134.03746	3.4
135.04520	4.2
136.05295	43.9
137.06050	1.9
139.04039	0.9
146.03723	6.7
147.04524	10.9
147.08205	1.0
148.05235	1.1
149.06073	11.5
150.06879	7.4
151.07555	0.8
152.99583	12.8
153.09181	1.3
156.11189	0.6
157.08684	0.9
161.02420	1.0
161.04877	0.9
161.06055	4.3
162.06865	3.4
163.07625	2.1
163.11334	1.7
164.04781	4.3
164.08403	6.3
165.09198	21.8
165.10521	1.2
165.12889	0.7
167.07152	1.2
171.10287	1.8
179.07124	14.9
179.10767	1.7
185.11885	0.6
189.05598	1.3
191.05692	2.1
192.79951	0.7
207.10146	1.2
209.11812	30.0
210.12215	1.8
211.13432	1.8
225.11432	0.6
227.12852	4.3
249.14824	0.7
253.03821	1.6
281.21249	1.7
311.11444	1.4
313.20325	0.7
327.21753	8.0
363.12204	4.2
365.12189	0.7
381.13437	1.2
395.14749	2.5
401.22952	1.1
414.27747	1.3
429.30148	2.3
430.30569	0.6
432.28870	4.4
433.18646	1.6
446.30255	1.4
447.31183	14.2
448.31607	2.1
459.16513	0.7
471.16132	0.7
474.29846	1.1
475.30893	2.9
492.30734	3.3
493.31680	31.6
494.32037	3.9
513.17786	0.7
591.25616	6.5
623.28448	8.8
624.28644	1.7
637.32550	1.9
638.31940	0.6
655.37128	100.0
656.37445	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	655.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.3
61.98820	3.3
62.09875	0.6
69.76440	1.3
69.76847	2.6
71.01376	2.3
71.05017	1.0
74.67440	0.6
78.95901	81.7
80.02696	1.2
81.03439	2.6
83.01385	0.7
83.05029	6.6
84.02176	1.4
88.98814	0.9
89.02429	1.5
95.05027	1.7
95.73166	0.8
96.96949	6.0
97.02943	1.2
101.02434	1.1
109.02936	0.7
109.06567	1.4
113.02456	0.9
125.06036	0.8
133.02945	0.7
135.04515	1.2
135.08150	1.5
136.05316	4.3
136.25560	0.7
139.03998	4.4
148.08064	0.6
152.99579	49.5
161.02420	2.1
163.11261	5.1
165.09183	2.0
165.12827	2.8
171.10277	2.1
181.12386	0.9
183.02914	0.7
185.11768	1.2
191.05559	2.0
191.10797	1.8
193.05074	0.9
207.10265	2.4
209.11810	100.0
210.12161	6.5
211.13316	2.8
225.11403	0.9
227.12880	8.8
247.13387	1.2
253.09383	1.5
269.13889	1.2
327.21768	1.0
363.12103	15.6
364.12601	0.8
369.40601	0.7
381.13132	4.7
383.22174	1.1
395.14777	12.6
396.14911	1.0
401.23175	1.8
413.15796	2.7
477.73608	0.8
490.11301	0.8
493.31024	3.0
591.25696	25.3
592.26062	3.5
623.28326	33.6
624.28815	5.2
637.32135	4.1
655.29504	15.5
656.31635	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00593	0.8
59.01377	8.0
59.96465	0.7
69.03436	1.2
71.01368	6.6
71.07227	1.2
71.85075	0.8
73.02950	1.1
73.41277	0.7
79.13378	0.7
80.02678	1.0
81.03445	1.5
83.01404	1.0
83.05045	3.9
85.02948	2.5
87.00903	1.2
89.02453	4.3
95.01400	1.0
95.05021	1.1
97.02961	2.7
97.06599	1.1
99.00895	1.2
99.45005	0.9
101.02447	5.7
107.05094	0.8
109.06584	8.5
110.03743	1.0
113.02425	2.7
125.09729	1.5
135.08147	2.1
145.05103	1.2
148.87100	0.7
161.04567	1.9
161.09677	1.3
163.11311	7.2
165.12862	1.5
171.10289	0.8
181.12341	1.7
183.13945	4.1
183.15315	1.0
185.11821	3.9
189.09247	1.4
193.12273	0.7
203.14436	0.7
205.12289	1.2
207.10257	24.9
209.11824	100.0
210.12158	5.3
211.13383	45.4
211.15460	1.7
212.13715	2.0
221.15497	2.0
224.10895	0.7
225.11311	11.2
227.12825	6.3
235.08223	4.0
251.12889	1.9
253.09308	9.1
317.97089	0.8
321.21924	0.9
339.23291	3.2
355.22589	1.3
357.24481	1.2
373.23911	4.1
375.25720	1.1
383.22223	8.4
391.24841	2.5
401.23239	14.8
402.23734	2.0
419.24530	7.3
443.19107	1.4
447.22342	1.1
457.26007	0.8
461.20377	3.2
463.32825	0.8
609.32666	2.9
619.31293	3.6
627.34216	1.6
637.32172	28.8
638.32788	4.4
655.33374	14.9
656.34027	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	653.361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30994	1.6
52.86924	1.4
59.01372	2.3
59.47322	1.7
61.98818	6.2
70.53647	4.8
78.39362	1.6
78.95902	100.0
79.19642	1.6
84.52835	1.6
98.19919	1.7
102.72108	1.7
117.03461	12.3
119.05013	4.4
134.20280	1.6
145.02951	49.6
149.00093	4.3
152.99570	5.9
165.12720	2.2
171.10295	1.9
191.05560	2.8
245.19141	3.0
255.23228	2.1
285.12506	2.4
289.18103	10.9
291.19717	3.7
293.21323	2.5
307.19116	18.0
309.20691	14.0
325.20230	6.0
355.16757	2.2
368.38745	1.9
415.14401	1.8
447.13242	6.5
535.49573	1.9
603.43781	1.6
617.38501	82.3
618.38531	15.6
651.62952	2.1
653.30042	47.5
654.30371	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	653.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54024	0.4
55.01878	1.2
57.03438	1.5
58.00599	2.0
58.19802	0.3
58.51837	0.4
59.01381	42.3
60.01719	0.5
61.98820	1.7
65.50386	0.4
67.01892	0.5
68.99823	0.5
69.03458	2.4
70.28140	0.9
71.01382	36.0
72.01721	0.5
72.99307	2.9
73.02946	6.1
75.00879	1.3
76.49722	0.4
78.95898	0.6
81.03457	1.5
83.01389	5.0
85.02947	7.9
86.00085	0.6
87.00882	9.1
89.02445	37.2
90.02763	0.6
95.01394	2.7
97.02962	5.8
99.00899	2.7
101.02441	30.3
103.03982	0.4
109.02952	0.7
111.00867	1.0
111.04572	0.9
113.02448	16.1
114.02724	0.6
115.03992	0.7
117.03443	0.5
119.03500	10.5
119.04951	2.4
121.02945	1.1
124.01629	0.6
125.02443	14.1
127.04004	0.6
131.03468	1.9
133.05070	0.6
139.03986	1.1
141.01924	0.8
143.03497	5.0
145.02988	0.8
149.04532	1.1
161.04547	8.2
163.04019	2.6
167.03484	1.0
169.05034	0.5
179.05585	7.7
180.06052	0.4
185.04523	0.9
191.05464	0.6
199.06213	0.5
203.05608	0.5
203.89127	0.4
217.07207	0.8
221.06633	2.7
221.15971	0.4
235.08215	13.8
236.08591	1.0
245.06563	0.8
253.09247	2.9
255.23280	100.0
256.23618	7.7
257.13058	0.4
263.07684	1.7
269.24850	0.9
277.09283	1.1
287.07733	4.2
292.88879	0.4
305.08752	4.1
323.09695	1.9
361.11237	0.7
379.12378	1.0
397.13486	89.2
398.13852	6.4
415.14560	35.8
416.14880	2.9
453.33896	0.6
617.38159	3.6
618.38708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51670	0.3
58.88464	0.3
59.01374	0.6
61.50638	0.2
61.98830	100.0
70.37933	0.3
71.53174	0.3
71.53615	0.4
75.59650	0.2
78.95901	0.4
81.47375	0.3
81.85608	0.3
85.80649	0.3
85.81203	0.2
107.11877	0.2
123.25938	0.3
137.02458	0.3
176.56303	0.3
191.05666	0.3
207.10298	0.5
209.11865	0.7
225.11469	0.4
233.82060	0.2
385.38467	0.2
391.16028	0.2
531.71692	0.3
603.65143	0.3
653.24146	0.3
653.32367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.72608	0.7
57.03431	3.0
59.01111	1.3
59.01378	17.6
59.07632	0.7
61.34941	0.9
61.98826	1.9
63.42289	0.8
69.03442	2.0
69.85228	2.1
69.85638	2.5
71.01376	12.4
72.99297	1.8
73.02945	4.0
75.00890	0.9
80.02651	2.0
81.03460	4.4
83.01389	2.4
83.05027	8.2
85.02948	4.4
87.00871	3.5
89.02447	6.9
93.03432	3.4
95.01372	1.0
95.05019	3.5
97.02939	6.6
97.06604	3.8
99.00857	0.9
99.18205	0.7
99.59480	0.8
101.02440	10.1
107.05002	1.9
109.06598	20.3
110.03757	1.3
110.06979	0.9
111.04536	0.9
113.02457	5.0
116.92859	1.9
119.03475	1.5
119.04977	1.6
120.05793	1.2
121.02971	1.7
121.06619	4.6
123.08179	4.1
125.02416	1.9
125.06084	1.0
125.09715	14.3
125.58552	0.8
133.06638	1.2
135.04475	2.7
135.08167	5.5
136.05284	0.9
136.50401	0.8
137.06082	0.9
137.09705	2.4
139.04050	1.0
142.02692	1.6
145.05045	1.5
145.10106	0.8
149.06113	0.8
149.09694	1.9
151.07567	0.9
161.04536	3.1
161.09726	2.6
163.11281	15.5
165.12827	3.1
169.12364	0.9
171.10274	19.1
175.11241	2.4
177.12831	1.5
179.10829	1.2
181.05045	3.6
181.12317	3.5
185.11823	10.3
187.09763	3.5
189.09190	2.5
189.12889	1.0
191.05592	2.5
191.10800	1.2
191.14372	2.0
201.12839	2.4
203.10747	1.6
203.14420	1.9
205.12257	1.2
207.10243	54.9
208.10568	2.3
209.11815	100.0
210.12172	4.6
211.13443	1.9
213.09244	3.2
217.12317	10.8
219.13893	1.8
221.11807	4.7
223.09660	1.0
225.11307	30.1
226.11613	2.2
227.12860	2.3
229.12325	2.0
231.10262	4.5
235.08249	7.5
235.13405	5.9
237.14798	0.8
245.11769	5.9
247.13344	8.3
249.11241	4.8
253.09283	10.3
263.12851	11.0
265.14471	7.1
273.89682	0.8
350.71707	0.9
351.22006	1.1
355.22879	2.5
363.24515	0.8
371.22522	1.3
373.19836	1.3
373.24078	2.0
381.20609	2.5
389.23172	1.4
391.25140	0.9
399.21753	16.7
400.22260	1.3
405.17496	1.2
417.22787	17.7
418.23190	2.6
435.23703	4.5
443.19403	4.1
445.20657	1.4
461.20267	6.5
467.18845	1.1
473.25397	1.1
481.20532	1.8
485.20215	1.7
491.26642	1.4
499.21701	2.2
514.88782	0.9
609.29572	1.4
625.32654	2.1
635.30707	35.3
636.30951	7.1
653.31732	98.2
654.32172	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	653.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.6
62.96402	0.7
65.54152	0.2
70.92385	0.3
70.92730	0.5
78.95900	100.0
93.51110	0.2
96.96413	0.3
96.96940	1.3
120.10388	0.2
122.13121	0.2
122.91062	0.2
130.15755	0.2
145.02934	0.3
149.00087	4.3
152.99574	3.5
171.10310	0.6
179.01070	0.3
181.32816	0.3
187.09589	0.3
205.15894	1.9
209.13821	0.2
237.10023	0.3
255.23262	4.4
285.12619	3.6
286.12924	0.4
355.16776	2.0
379.11438	0.3
385.17825	0.8
391.22406	1.0
409.23434	0.5
417.12512	0.4
447.13397	4.5
563.33197	0.5
617.38287	0.3
653.30005	45.6
654.30322	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	653.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26929	0.8
62.64624	0.8
69.74461	3.9
85.02948	6.0
87.00880	1.0
93.03481	2.3
103.62521	0.9
109.02949	0.9
118.93658	0.9
120.44019	1.0
136.01689	1.9
137.02443	94.0
138.02773	3.8
148.27116	1.0
149.38405	0.8
161.02408	1.5
176.23431	0.8
191.05608	100.0
192.05945	3.9
299.07700	40.6
300.07947	1.9
353.08707	12.4
476.89072	1.1
628.56061	1.0
670.71985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2446
Annotation	Eruberin C
Peak:m/z	Relative Intensity
55.01873	1.7
57.03431	1.1
58.00582	1.6
59.01373	18.1
61.98825	1.6
63.16920	0.8
63.46964	0.7
69.03455	1.3
69.46117	4.6
69.46536	1.9
71.01373	20.0
72.99306	1.8
73.02941	9.6
75.00857	0.9
81.03456	1.0
81.41718	0.8
83.01373	3.6
83.95086	0.9
85.02941	7.4
87.00859	2.7
89.02441	6.5
93.28455	0.9
95.01372	2.1
97.02939	1.4
99.00859	5.9
99.04571	1.2
101.02427	9.3
111.00882	2.0
113.02440	3.8
115.03997	1.6
121.02962	4.4
125.02454	1.9
131.03484	0.9
135.04491	1.4
159.04463	1.9
191.05606	6.1
255.06592	1.7
267.06409	0.9
268.07376	3.2
269.08112	4.8
270.08792	1.4
280.07288	1.0
281.08173	7.5
282.08917	3.9
283.09753	4.7
293.08289	1.1
295.09723	2.9
296.10449	1.6
297.11246	1.4
299.09241	2.9
300.09790	1.8
301.10483	1.1
311.09247	1.8
312.09738	1.3
314.08081	1.9
314.11548	6.8
315.12329	6.8
326.11481	10.4
327.12350	6.9
329.10336	1.3
329.13846	9.8
341.13861	6.7
343.11652	2.3
355.11896	4.0
369.13345	1.1
461.01035	2.3
476.16910	8.2
477.17563	3.1
485.89935	0.8
488.16782	2.8
489.17090	1.5
491.08148	1.2
491.19202	13.7
492.19522	1.9
503.19220	20.8
504.19171	2.6
517.19025	1.0
585.72949	0.9
608.20795	2.2
623.23364	100.0
624.23682	13.7
635.23352	60.8
636.23474	10.4
653.24274	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	651.411
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
59.01381	6.0
61.98825	1.2
67.25031	0.3
69.21619	3.0
71.01381	7.7
72.99318	0.5
73.02940	0.6
74.93923	0.3
78.95909	0.7
84.14761	0.4
85.02941	0.7
87.00882	0.4
89.02440	9.3
98.20625	0.7
101.02435	4.3
113.02454	2.2
119.03518	2.0
131.03484	0.7
143.03467	0.4
149.04578	0.8
157.48912	0.3
161.04582	1.1
179.05598	5.4
209.11926	0.4
255.23270	0.4
284.19171	0.4
297.15311	1.4
309.20688	0.7
471.34756	100.0
472.35083	13.9
497.32831	0.8
601.32446	0.5
633.37714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.92617	1.4
69.92986	0.8
74.16782	0.4
77.58526	0.4
93.73183	0.4
100.68066	0.4
216.36815	0.4
359.44696	0.4
415.44376	0.5
450.94775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
62.42186	0.7
66.14502	0.6
67.01878	1.1
69.03448	1.0
71.01367	1.4
71.53076	0.8
72.81233	0.6
78.95885	1.3
81.03486	0.7
85.02946	10.6
87.00886	3.4
89.02390	0.6
93.03457	8.4
96.96021	3.4
96.96974	2.2
109.02930	1.2
111.04509	2.2
125.02430	1.2
127.03997	2.9
135.04495	0.7
143.05005	2.1
155.04985	1.2
159.04497	2.6
171.04477	4.5
172.05086	0.7
173.04550	5.6
173.05939	1.2
182.03714	1.6
183.04492	15.4
191.05597	100.0
192.05911	3.1
198.03168	2.0
199.03986	22.4
200.04437	0.7
201.05560	7.6
211.03978	23.3
212.04285	1.0
214.02626	1.3
226.02675	2.7
227.03474	58.7
228.03804	3.5
229.01471	3.6
229.05032	2.3
245.04541	2.8
253.01172	0.7
255.02954	34.8
256.03275	2.3
273.04019	24.1
274.04337	1.0
297.00549	0.7
297.03787	0.7
298.04657	0.7
299.01978	0.9
447.09290	25.9
448.09686	2.3
448.17542	0.7
461.01013	0.6
463.45105	0.7
489.10458	2.2
491.08289	75.3
492.08679	7.2
653.13452	6.8
654.13800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51081	0.5
61.98827	4.0
63.99235	0.6
71.27088	1.1
78.95901	100.0
81.35457	0.5
83.05022	2.5
85.59541	0.5
95.40028	0.5
96.96965	8.0
118.52605	0.6
134.98500	1.0
135.08182	0.7
152.99576	63.5
162.75249	0.6
163.11256	1.6
165.12802	0.8
166.32089	0.5
171.00679	0.9
190.64789	0.6
209.11812	30.9
210.12198	2.1
227.12883	6.9
255.23270	98.7
256.23605	8.7
263.68979	0.6
363.12109	9.4
381.13156	1.8
391.22522	26.3
392.22949	3.2
395.14792	6.3
409.23575	13.4
410.24338	1.0
619.36078	53.3
620.36456	10.0
651.38782	19.2
652.39331	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	651.39
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15054	0.4
59.01382	1.7
61.98835	1.3
66.52451	0.4
78.95932	1.3
81.15665	0.4
93.03468	0.7
98.19943	1.1
117.03464	22.3
118.03776	0.8
119.05025	22.9
120.05401	0.7
121.02956	69.6
122.03280	1.7
125.09700	0.5
134.03754	0.4
135.04538	2.2
141.79610	0.4
145.02951	100.0
146.03300	3.6
152.99629	0.7
163.04019	8.9
171.10359	0.5
181.05067	13.9
182.05292	0.6
182.08640	0.4
191.05600	1.2
209.11798	0.7
437.30627	0.7
455.31659	1.2
467.31653	1.0
469.33289	5.2
470.33273	1.3
471.35217	0.7
487.34247	5.6
488.34189	0.5
513.32294	2.2
529.35724	1.1
633.37915	97.0
634.38287	16.8
651.38977	2.6
652.38940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88724	0.3
58.44684	0.3
61.88316	0.3
61.98828	100.0
78.95921	0.8
90.47678	0.3
93.77522	0.3
152.99644	0.7
201.93294	0.3
226.36501	0.3
255.23369	0.7
619.36731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99039	0.3
53.36266	0.3
61.98827	100.0
62.87922	0.3
78.95896	0.6
92.99517	0.3
98.19924	0.6
122.00478	0.3
152.99623	0.4
172.03888	0.3
181.45528	0.3
249.47012	0.3
255.23357	0.8
267.26624	0.3
276.57224	0.3
422.15726	0.3
509.94498	0.3
619.36334	0.3
651.38013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76135	1.2
57.03432	3.3
59.01370	3.3
61.98817	1.2
69.34490	8.6
71.01380	3.3
71.04976	1.2
80.02654	1.6
81.03452	2.8
83.05019	9.4
84.02152	3.4
85.02933	3.5
93.03455	1.9
95.05029	5.5
97.02942	2.0
97.06577	5.1
99.08143	2.2
106.04250	1.4
107.04375	1.1
107.05015	7.8
109.02913	2.1
109.06556	3.2
110.03673	1.4
111.08125	2.3
113.06060	1.5
115.07648	1.5
119.04997	2.6
121.02934	2.8
121.06579	1.9
123.04545	2.3
123.08134	3.7
125.02423	2.2
125.06055	5.1
125.09710	14.3
127.07623	9.1
127.11284	2.0
130.39442	1.2
135.04506	1.9
135.08144	6.4
137.02464	1.3
137.05980	1.8
137.09674	2.8
139.07635	5.0
141.09254	1.8
141.12889	1.2
145.02937	2.7
151.07643	4.6
151.11281	3.2
153.09203	12.0
155.10760	2.9
161.98816	1.1
163.03896	1.5
163.11293	10.5
165.12825	4.9
169.08653	4.0
171.10275	19.4
176.08458	1.4
177.04102	1.2
177.09209	1.1
178.09950	4.2
181.12360	3.4
185.11818	19.6
186.12202	1.4
187.09691	2.0
189.09157	1.0
189.12837	1.1
191.10764	2.7
191.14403	3.5
197.11823	18.3
198.12093	1.5
199.09683	4.8
199.13368	2.7
201.09622	1.6
201.11275	7.8
207.10207	11.3
209.11813	100.0
210.12125	6.4
211.13368	1.6
213.11230	1.6
225.11302	13.9
227.12892	4.4
236.10475	4.2
238.12057	4.2
243.12360	2.9
243.17499	3.3
245.15439	1.7
245.19136	6.7
261.18549	4.3
277.18054	2.1
279.19675	6.2
287.16537	8.9
289.18088	28.4
290.18457	2.1
305.17569	69.5
306.18164	8.8
307.19131	61.2
308.19370	6.0
309.20657	1.2
317.17874	1.4
323.18613	17.4
323.22168	2.1
325.20160	22.3
340.94052	1.2
425.26831	2.1
443.27975	2.7
453.30603	1.1
461.28439	1.3
471.34897	7.0
499.30334	2.2
531.55292	1.3
535.97882	1.4
613.37537	6.6
649.38416	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	650.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31746	0.8
61.98830	100.0
71.26968	1.3
88.62241	0.6
105.01986	0.5
235.43231	0.7
313.12170	0.6
331.57593	0.7
332.31290	0.7
398.11893	0.6
524.39740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94100	0.3
59.01368	0.6
61.98840	0.7
67.75204	0.3
71.53690	0.5
78.95915	0.5
91.27616	0.3
93.21905	0.3
117.03461	25.7
118.03806	1.1
119.05018	8.5
121.02932	0.5
133.99933	0.3
135.04497	0.7
145.02948	100.0
146.03293	4.1
147.04556	0.3
161.02437	0.8
163.03999	8.5
179.03519	0.5
191.05612	1.9
192.05963	0.3
209.11777	0.4
253.34384	0.3
325.20087	0.4
351.52628	0.3
455.31647	0.8
485.33188	0.4
487.34189	1.3
488.34039	0.4
501.32144	0.5
503.34052	0.9
545.40381	0.3
587.37683	1.1
631.36780	0.4
639.07379	0.3
649.37482	60.7
650.26703	0.5
650.37732	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	649.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55455	0.2
58.53805	0.3
61.98833	2.4
69.74253	0.6
69.74657	1.2
71.05025	0.3
78.95918	0.4
89.04005	0.4
98.20578	0.3
101.02431	0.3
113.02468	0.4
117.03465	26.4
118.03822	0.8
119.05032	4.2
119.05849	0.5
119.90187	0.3
121.02937	0.4
133.02972	0.3
135.04453	0.3
141.27826	0.3
145.02953	100.0
146.03288	3.5
147.04514	0.3
151.11659	0.3
161.02496	0.4
163.04039	1.2
191.05626	1.2
235.65619	0.3
284.57916	0.3
305.17682	0.3
307.18921	0.4
357.06497	0.3
487.34201	5.4
488.34787	0.7
503.33838	1.2
529.31726	0.5
649.37469	50.4
650.26862	0.5
650.37708	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	649.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09123	0.2
61.98819	0.4
70.67405	0.4
70.67741	0.2
78.95901	0.5
88.75897	0.3
95.05034	0.3
105.03455	0.2
115.74979	0.2
117.03467	1.6
119.05022	0.4
121.02981	0.3
123.04562	0.3
125.09747	0.3
132.02182	1.2
133.02957	28.5
134.03841	1.1
135.04524	7.0
137.02448	0.8
137.06128	0.2
139.03998	0.4
145.02956	1.7
161.02435	100.0
162.02788	3.2
163.04037	0.8
171.10225	0.3
178.02713	0.5
179.03482	3.8
185.11801	0.5
191.05650	0.3
199.78458	0.2
209.11809	0.5
215.47746	0.2
228.49608	0.2
289.18124	0.2
305.17627	0.5
307.19049	0.4
323.18637	0.4
341.19666	0.6
409.27051	0.3
409.46082	0.2
424.14517	0.2
425.30664	0.6
437.30414	0.3
439.31964	0.3
449.30246	0.3
455.31494	0.6
467.31528	0.6
487.34448	0.5
513.31989	0.5
605.37903	0.2
611.96313	0.3
631.38715	0.3
649.37421	89.1
650.37781	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	649.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16779	0.4
53.90812	0.5
58.42479	0.4
61.98826	0.9
71.01408	0.6
71.52567	1.0
78.95892	0.9
91.48421	0.5
97.02936	0.7
109.06535	0.5
117.03490	1.4
119.05025	1.0
121.02948	1.0
123.04591	0.6
131.50160	0.4
132.02173	0.9
133.02953	29.7
134.03604	0.6
135.04532	7.3
137.02443	1.4
145.02911	3.6
145.36050	0.5
161.02437	100.0
162.02782	3.9
163.04021	0.6
171.10274	0.8
178.02783	0.5
179.03513	3.9
191.05638	0.8
209.11818	0.5
233.76671	0.5
240.18506	0.6
289.18094	0.6
293.21375	0.6
305.17477	0.8
307.19196	1.3
323.18652	0.9
412.43073	0.5
455.31662	0.9
467.31982	0.8
605.38617	0.8
649.37433	85.3
650.37817	14.9
650.47400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98542	0.5
63.99247	1.2
69.98738	1.0
69.99131	0.9
78.95912	1.1
97.87630	0.4
109.18713	0.4
147.77353	0.4
152.99625	0.7
216.96365	0.4
237.01413	0.4
250.65465	0.4
624.99457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.57349	0.5
74.86424	0.4
78.95907	2.1
85.08544	0.4
98.20742	1.1
127.16124	0.5
152.99608	1.4
197.43625	0.4
221.44507	0.5
229.28011	0.5
283.26517	0.9
284.26865	0.7
382.21323	0.5
648.40039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19968	0.4
52.90107	0.5
57.31628	0.5
59.01380	10.5
69.88155	2.4
71.01379	4.6
72.83938	0.4
76.05424	0.5
85.02947	5.3
87.00865	1.7
89.02442	7.6
93.03446	2.5
95.01372	0.8
98.19909	0.5
99.16420	0.5
101.02455	3.9
109.02942	0.7
111.04521	0.5
111.29594	0.4
113.02440	2.4
117.48154	0.5
119.03509	2.9
126.92272	0.5
127.03988	1.4
131.01254	0.4
133.02985	0.9
133.05046	0.7
135.04498	0.7
146.34070	0.5
156.44098	0.5
161.02397	1.5
171.03113	0.5
173.04553	0.5
191.05603	100.0
192.05948	3.0
232.64507	0.5
295.10315	35.3
296.10739	2.1
353.08768	13.5
354.09045	1.2
402.07053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	55.3
60.61229	1.5
61.98822	5.2
65.03963	2.6
67.01895	2.5
69.03452	100.0
71.01390	11.5
71.52462	2.3
72.99297	2.0
73.02940	4.4
76.59843	1.4
76.93141	1.3
78.95905	2.0
81.59309	1.4
83.01388	1.6
85.02963	2.8
89.02425	5.0
95.01379	2.6
95.05023	21.8
101.02403	4.5
106.04227	6.7
113.02434	5.3
121.02969	11.6
121.06580	50.9
122.06901	1.7
123.04520	6.2
125.75792	1.5
137.49477	1.6
139.00385	8.9
139.04013	2.0
139.07661	4.4
149.02405	2.3
152.99568	2.2
165.05553	24.1
170.91470	1.6
171.10208	1.5
179.03416	1.3
183.06618	14.8
191.05534	4.9
209.04594	9.2
225.11102	1.5
241.10771	1.8
260.39529	1.6
273.22107	2.3
277.21680	27.2
278.22079	2.3
291.23276	25.7
301.21698	3.4
305.17520	3.6
306.17902	2.1
307.19171	4.3
309.20563	2.9
319.22879	8.0
327.10666	2.1
341.23270	1.6
345.11810	8.0
469.33286	2.8
540.84497	1.6
605.32684	9.2
649.31543	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	648.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.86610	1.1
69.87008	1.0
78.95908	4.3
103.90117	0.4
105.81963	0.4
118.79124	0.4
141.44931	0.4
152.99590	3.6
209.11812	0.9
255.23369	1.2
381.13330	1.6
413.16006	1.6
415.31232	0.4
495.04834	0.5
604.97357	0.5
617.34369	0.8
649.38483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.93932	0.4
69.72372	0.4
72.92042	0.4
78.95913	1.4
87.91755	0.4
96.61733	0.5
99.82869	0.4
132.21370	0.4
152.99609	1.4
210.31337	0.4
229.23067	0.4
283.26437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.6
62.20761	0.9
71.53162	1.0
71.53540	1.0
73.42234	0.9
78.95895	1.3
83.05003	1.1
83.36930	0.9
94.56973	0.9
105.03445	2.3
110.90094	1.2
132.02191	8.4
133.02956	21.0
134.03714	3.6
149.06096	2.3
160.01660	34.7
161.02235	1.0
171.10229	1.3
175.04007	42.3
176.04364	1.6
177.01973	4.8
191.05632	1.4
242.04878	1.1
247.36337	1.0
255.23198	1.5
309.20645	1.6
497.32782	1.6
632.37018	5.3
647.39471	100.0
648.39630	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	648.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52525	0.2
58.80128	0.2
59.02899	0.2
61.98831	100.0
62.98537	0.2
72.50077	0.2
74.50758	0.2
78.95912	0.2
97.34588	0.2
97.35337	0.2
98.19872	0.5
106.75759	0.2
124.61948	0.2
127.63907	0.2
132.34360	0.2
147.93352	0.2
225.11629	0.2
255.23514	0.2
390.88141	0.2
395.54303	0.2
465.21487	0.2
486.70859	0.2
497.21680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
61.98823	7.5
67.14632	2.8
71.01414	3.7
71.52303	3.6
73.02934	5.5
78.95892	4.0
81.03458	4.1
83.05032	8.5
87.00891	6.8
93.03483	4.0
94.33911	3.1
95.05020	8.7
97.06587	7.8
107.05005	16.1
109.06561	6.0
112.02454	3.3
119.93313	3.0
121.03046	3.2
123.08166	6.0
125.06050	6.8
125.09702	16.6
135.08087	8.9
139.07620	4.8
153.09229	12.8
163.11275	9.5
165.12869	4.3
169.08691	3.4
171.10216	15.0
176.08344	5.6
178.09953	3.6
181.12302	5.4
185.11795	12.0
191.05609	8.3
197.11823	22.2
207.10254	14.3
209.11809	91.7
210.12155	4.4
211.13460	3.5
213.11279	3.6
221.15497	3.6
225.11342	17.5
227.12842	5.8
241.10805	20.0
255.23193	4.1
256.49933	4.0
261.18512	5.9
279.19696	6.1
287.16483	12.7
289.18164	16.1
291.19666	5.1
305.17581	100.0
306.18042	6.9
307.19122	14.3
309.20660	9.2
321.17111	5.4
323.18591	37.2
325.19888	4.2
459.28036	3.5
611.36560	4.8
617.29578	3.6
647.37421	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	647.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
71.01378	0.6
85.02944	5.5
87.00862	1.0
93.03448	2.1
96.95997	0.3
99.04494	0.4
111.04524	0.9
126.84261	0.3
127.03983	1.3
131.07147	0.8
133.02893	0.4
135.04491	1.0
143.75058	0.4
160.57190	0.4
161.02408	1.4
171.03003	0.4
173.04483	1.3
179.03377	0.4
191.05600	100.0
192.05966	2.8
220.72685	0.3
293.12350	1.2
353.08749	12.3
354.08963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98825	1.9
71.01392	0.7
71.52289	1.0
78.95923	1.2
112.98731	0.7
117.03456	26.8
117.04286	1.4
119.05013	14.5
133.02919	0.7
145.02948	100.0
146.03291	2.7
163.03999	13.6
171.10260	0.6
191.05615	1.0
201.68631	0.5
209.11809	1.0
224.90645	0.6
225.11183	0.6
254.91267	0.6
305.17334	0.9
307.18903	0.7
323.18759	0.9
342.67859	0.6
369.77682	0.6
430.03360	0.6
453.30023	5.2
603.36694	0.8
647.35840	74.7
648.36182	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	647.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.4
59.01364	8.1
61.98824	5.8
67.73132	2.0
71.01382	3.3
71.05003	2.9
78.95895	2.9
80.02663	4.6
81.03444	5.9
83.05022	10.2
84.02138	2.4
85.77227	2.0
87.00868	2.2
90.03129	2.1
93.03430	2.5
95.05000	7.2
97.02945	5.3
97.06584	4.7
98.20667	4.8
99.35565	2.0
104.83300	2.1
107.05064	10.0
109.02988	2.1
109.06573	5.2
121.02977	2.8
122.03740	3.2
123.04485	4.2
123.08177	3.2
125.06077	6.6
125.09714	23.9
127.07594	2.4
132.58409	2.8
135.04491	3.5
135.08173	12.3
136.05290	2.6
137.09708	3.3
139.07672	4.7
143.07150	2.8
145.02977	2.8
149.06061	2.9
151.07593	5.6
151.11343	2.4
153.09190	13.0
154.95627	2.2
163.11246	12.6
165.12776	2.5
171.10228	9.5
176.08412	2.8
177.05519	5.8
177.09119	5.3
178.09914	3.4
181.12343	4.0
185.11844	13.2
187.09779	4.0
191.05618	7.6
191.10707	5.3
197.11836	19.8
199.09738	6.2
201.11241	5.7
207.10240	17.5
209.11813	100.0
210.12144	4.6
211.13358	4.6
225.11266	18.6
229.06004	2.2
235.09677	3.3
236.10483	3.6
241.10805	3.7
243.12317	5.1
243.17505	3.4
245.19069	3.2
253.10608	3.3
254.11517	2.6
261.18558	5.3
277.18033	4.9
279.19614	4.2
287.16470	11.5
288.31845	2.3
289.18076	16.5
291.19632	4.0
293.17731	3.0
303.16010	4.6
305.17563	91.3
306.17966	9.4
307.19144	15.4
309.20615	8.9
311.64523	2.1
321.16953	10.6
323.18652	18.0
324.18918	2.5
325.20187	4.7
339.18109	3.6
479.28018	2.7
559.36737	2.3
611.36200	3.5
647.38489	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	645.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25477	1.9
50.83097	1.7
57.03437	2.2
59.01376	6.5
59.37684	1.7
61.98837	4.6
68.38412	1.9
68.99828	2.2
70.59135	6.0
71.01380	49.7
72.99307	3.1
73.02942	2.1
75.00842	1.7
76.67999	2.0
78.95899	6.7
78.99554	2.1
80.99848	2.2
83.01380	9.5
85.02962	5.9
87.00878	5.5
87.71793	1.7
93.03450	2.6
99.00878	25.6
111.00897	19.5
112.98803	72.7
115.00353	6.6
120.41129	2.1
124.98820	9.1
129.01918	4.9
142.99858	100.0
145.01425	6.0
152.99532	3.4
171.10240	3.7
173.00899	95.1
174.01216	3.6
188.71236	2.0
191.05624	10.4
389.33347	2.0
451.03848	2.1
471.34711	19.8
472.35129	3.0
585.34259	9.9
586.34613	3.2
645.36316	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	646.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.05013	0.2
70.18831	0.7
93.25619	0.2
162.71405	0.2
183.22934	0.2
254.69693	0.2
347.46909	0.2
657.94055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80065	1.2
61.10888	1.0
61.98829	100.0
70.11207	4.4
77.77847	1.1
78.95890	6.0
83.31770	1.0
88.18256	1.3
103.30733	1.1
115.90717	1.1
140.10124	1.0
146.62492	1.0
152.99591	2.0
157.84816	1.3
173.89340	1.1
282.25229	1.3
293.52039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
67.01873	0.3
69.81643	1.0
71.01365	0.6
81.03440	0.3
83.05024	0.2
85.02945	6.1
87.00870	1.3
93.03461	2.5
98.19968	0.2
107.05019	0.2
109.02947	0.5
111.04498	0.6
127.04029	1.8
132.02164	0.2
133.02946	3.0
134.03749	0.4
135.04518	9.2
136.04849	0.3
151.04060	0.2
155.03336	0.2
161.02432	11.2
162.02798	0.4
171.02974	0.5
173.04550	1.4
179.03488	4.5
179.04987	0.4
191.05600	100.0
192.05937	3.2
192.07526	0.3
209.11937	0.2
247.36867	0.2
265.84238	0.2
291.19666	0.4
309.20682	3.5
310.20999	0.3
332.15192	0.2
353.08740	14.4
354.09091	0.8
453.22958	0.4
465.24881	0.2
483.26035	2.0
484.26456	0.3
645.28973	4.1
646.29419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.9
61.98829	13.3
67.01881	1.3
70.54722	2.4
71.01385	6.7
78.95889	1.6
85.02948	3.6
85.23912	1.3
87.00871	1.7
88.98823	1.5
89.02444	3.5
93.03441	4.9
96.95992	6.9
96.96954	2.0
101.02438	4.0
107.56765	1.0
109.02952	1.4
113.02436	2.4
119.03452	2.3
120.04537	2.6
121.02943	1.5
121.05326	2.8
122.06133	4.7
123.04507	1.2
125.02440	3.5
134.06105	1.8
135.04559	2.4
136.07635	8.5
137.02443	13.5
138.03204	1.0
144.04552	2.1
149.02437	1.2
149.04535	1.0
151.00336	4.7
151.03992	2.4
151.07628	2.4
152.01172	1.7
153.01920	1.3
161.02455	4.8
161.06093	3.4
163.03983	1.8
165.01920	63.0
166.02701	10.2
167.03433	1.4
169.01373	2.3
171.11789	1.1
173.04588	3.2
179.03484	14.5
180.04283	33.2
181.05038	19.2
189.05592	12.5
190.06238	1.5
191.03816	1.5
191.05606	28.4
191.07181	1.3
192.06039	1.3
193.05026	2.3
194.05806	3.8
195.02911	1.5
195.04810	2.3
195.06612	44.7
196.06963	1.2
199.09866	1.5
201.11160	1.3
203.05769	2.1
204.07907	3.9
207.06682	1.0
209.08147	2.2
209.11894	1.5
210.05322	8.5
213.59293	1.1
214.12402	9.6
218.08989	1.0
225.07680	37.2
226.07903	2.3
227.08218	2.3
229.09868	4.9
230.11871	3.9
241.09810	9.2
242.10556	12.6
257.12936	85.9
258.13184	6.6
301.11911	100.0
302.12231	6.7
305.97916	1.0
325.11700	1.4
343.12915	4.7
359.11301	2.5
387.14456	1.7
389.16031	6.2
390.16397	1.2
401.16058	15.9
402.16388	1.8
406.83298	1.0
419.16904	1.7
421.12750	1.2
493.20789	2.4
579.22418	16.2
580.22662	2.2
597.23846	5.7
609.27765	5.7
645.23309	2.2
646.24664	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	645.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
60.99294	1.5
67.01898	0.7
69.03452	21.9
70.03794	0.5
70.78092	0.9
71.01372	1.5
79.01897	1.1
85.02933	0.9
87.00884	0.8
89.02474	0.5
90.96910	0.5
93.03458	0.8
95.04992	2.5
96.96001	4.2
97.02943	100.0
98.03284	1.9
101.02428	0.8
105.03461	2.5
108.02164	2.1
109.02882	0.4
111.04524	0.6
113.02448	1.6
119.05005	0.6
121.02952	4.5
123.04519	44.4
124.04852	1.4
125.02418	0.9
128.15773	0.4
141.01953	0.5
149.02434	1.3
149.06082	3.1
153.35921	0.5
165.05487	0.8
167.07121	27.6
168.07478	1.0
169.01443	1.4
181.08740	0.4
183.06607	0.9
191.05629	3.8
199.09741	3.2
233.35631	0.5
243.08626	2.5
245.94690	0.4
247.02672	0.4
269.10184	0.6
278.97226	0.4
300.99704	0.7
401.14447	7.9
427.34579	0.6
603.56201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98829	16.3
62.35527	0.8
67.01900	1.8
71.01373	1.6
71.53395	1.3
74.14717	0.8
78.01707	1.0
78.27734	0.9
78.95897	1.2
83.05019	0.9
83.72207	0.8
85.02959	2.2
85.20168	0.7
87.00867	2.1
89.02423	1.0
93.03465	8.6
95.48674	0.8
96.95981	4.5
101.02446	1.4
109.02975	4.2
121.02934	1.4
123.00842	1.9
124.01667	1.2
125.02423	2.4
135.04509	3.0
136.01672	1.6
137.02428	22.4
145.02980	3.5
147.04520	3.5
148.01614	1.2
151.00343	1.1
151.04013	4.5
152.01221	1.0
153.01913	1.9
161.02417	2.9
161.05991	1.6
162.03239	3.3
163.04024	6.7
164.01164	2.0
164.04721	2.0
165.01924	100.0
166.02338	2.9
168.00648	1.2
169.01491	1.6
173.02397	2.0
173.04500	3.3
174.03236	2.1
175.04002	8.2
176.04758	3.5
177.01897	1.3
177.05580	5.2
178.02754	1.1
179.03491	22.3
179.07089	2.6
180.04276	58.3
181.04939	4.5
188.04723	2.5
189.05472	2.8
190.06342	9.0
191.03535	2.6
191.05592	18.6
191.07146	6.1
192.04231	2.2
193.05026	3.6
194.05809	13.1
195.06618	73.5
196.06938	2.5
203.07195	2.2
205.08731	9.7
207.06622	9.2
208.07283	4.4
209.08154	4.0
209.11795	7.5
210.05313	12.0
211.06041	1.2
211.13364	1.0
219.02899	1.2
222.09010	1.7
225.07663	57.2
226.08038	2.0
227.12859	2.0
276.41910	0.9
340.45129	0.8
375.14456	2.3
387.14365	1.1
388.15567	0.9
389.16043	45.9
390.16455	3.7
397.13675	1.1
401.15970	1.6
507.16400	1.2
515.12183	1.2
519.15900	1.0
522.18890	1.0
537.20721	1.2
548.11792	2.2
552.19574	1.2
567.22308	47.5
568.22699	6.5
569.22559	1.1
576.32263	1.0
579.21887	1.2
597.23175	2.1
613.18597	1.9
615.24097	8.3
616.25061	1.3
645.14917	1.5
645.30225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.5
67.01889	2.5
67.51290	1.1
68.37712	1.1
69.03456	54.1
69.71143	5.1
69.71561	2.1
71.01379	3.1
73.02959	1.2
75.48113	1.1
85.02938	2.2
89.02446	1.2
89.73576	1.2
95.05025	9.7
96.96001	11.6
97.02949	100.0
98.03285	2.1
98.19946	2.1
101.02448	2.7
105.03470	3.5
105.71914	1.0
108.02157	1.3
113.02444	1.8
116.04483	1.2
118.57482	1.2
121.02971	5.5
123.03627	2.3
123.04526	44.6
139.07709	1.1
149.06084	2.4
161.02440	2.8
161.04550	1.1
161.88094	1.1
165.05591	5.5
167.07138	31.3
169.01381	2.0
179.84349	1.0
183.06628	15.1
191.05562	4.7
199.09720	2.5
245.89986	1.0
266.83057	1.0
269.10172	2.1
385.11264	4.1
389.98782	1.1
401.14532	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	645.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15479	0.7
54.59917	0.7
56.97870	0.8
59.01375	5.7
61.98823	7.9
67.01875	1.4
68.99573	1.9
69.03451	2.8
71.01383	4.6
71.54048	1.1
73.02938	1.7
78.95905	1.0
83.05025	1.4
85.02945	14.5
87.00869	3.7
88.98772	1.4
89.02443	3.6
93.03445	7.3
96.95998	2.1
97.02930	1.0
99.92581	1.0
101.02425	3.3
107.63434	0.8
109.02940	1.7
111.04523	2.8
112.98553	2.3
113.02453	1.8
116.92860	7.1
117.03431	1.6
119.03474	0.9
123.00897	1.1
125.02447	2.1
127.04005	2.9
132.02188	1.2
133.02950	8.7
135.04527	4.7
137.02429	1.7
147.04507	2.7
149.02414	1.0
151.00349	1.1
151.03947	1.0
160.01617	1.2
161.02446	35.8
161.04469	1.4
162.02925	0.9
165.01900	2.3
165.05592	1.1
169.01379	3.1
173.04536	3.1
179.03494	4.3
180.04195	2.2
183.10275	2.4
191.05605	100.0
192.05951	3.5
195.06627	2.0
199.09702	1.4
201.11232	1.1
209.08264	1.3
209.11752	3.6
219.10345	0.8
225.07620	1.8
244.17250	0.8
257.12857	1.6
301.12076	1.5
353.08981	1.2
453.11890	27.3
454.12128	4.3
471.12744	1.0
483.29477	1.2
493.20428	1.3
633.12952	1.0
645.18237	17.6
645.35144	2.8
646.18359	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	643.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00167	0.3
55.01880	0.4
59.01380	3.4
61.38268	0.3
61.98847	0.5
65.62921	0.3
66.49326	0.2
69.03477	0.9
71.01380	3.3
73.02974	0.8
74.60096	0.3
80.02705	1.1
81.03477	1.1
83.01431	0.5
83.05024	4.1
84.02180	0.7
85.02957	0.9
87.00902	0.9
89.02440	2.2
93.03490	0.4
95.01457	0.4
95.05049	0.5
101.02443	3.1
103.81998	0.3
109.06597	0.4
113.02438	1.7
119.03481	0.5
125.06066	0.4
125.09743	0.4
135.08163	0.5
141.09279	0.3
145.05093	0.3
151.11324	0.3
152.87270	0.3
153.09259	0.3
153.12875	1.3
161.04572	1.0
163.11288	3.6
165.12862	2.3
169.12344	6.8
170.12642	0.3
171.10249	1.1
174.19168	0.3
179.05612	0.3
179.10773	0.6
181.12309	0.7
191.05644	2.0
191.10768	1.0
197.11821	100.0
198.12148	4.2
199.13345	0.5
201.19583	0.3
209.11815	91.0
210.12155	4.4
223.13554	0.3
227.12875	13.0
228.13063	0.6
229.51532	0.3
235.08183	2.6
235.13350	1.5
253.09267	9.1
254.09679	0.4
351.38403	0.3
358.35156	0.4
371.22079	0.4
389.23221	0.8
433.20721	2.8
434.20728	0.3
445.20618	1.3
463.21887	0.4
607.30505	0.8
625.32227	0.4
643.31805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98818	4.0
66.02377	0.6
67.01868	0.9
71.01591	1.3
85.02960	1.5
93.03462	1.3
94.02521	0.7
95.01405	0.6
96.96003	1.1
99.19994	0.5
107.05011	1.0
109.02942	3.4
111.04476	0.6
121.02936	1.1
123.00896	1.1
124.01691	1.1
125.02438	1.9
132.77679	0.7
135.04529	1.7
136.01624	1.3
137.02434	27.3
139.04005	0.8
149.02400	1.1
150.03185	2.0
151.00372	5.1
151.03989	4.5
152.01047	0.8
152.04715	1.0
161.02414	1.7
162.03154	0.6
163.00490	0.7
163.03963	0.6
164.01141	2.6
165.01918	100.0
165.05515	3.5
166.02682	16.1
167.03368	1.7
169.01376	1.1
175.03947	1.5
177.01941	1.4
177.05537	1.4
178.02763	0.7
179.01897	1.0
179.03493	22.8
180.04269	55.2
181.05049	20.2
187.03981	2.0
188.04630	0.7
190.02727	0.8
190.06273	0.7
191.03874	1.2
191.05574	6.8
192.04289	0.9
193.05003	1.0
194.05780	4.5
195.02917	2.4
195.06613	73.7
196.06975	2.9
205.05067	4.4
205.08269	0.7
207.06648	1.0
208.03337	0.6
209.08185	0.7
209.11797	1.1
210.05299	11.4
211.05902	0.7
219.06702	0.8
220.07353	3.0
221.08273	0.8
225.07666	51.5
226.08031	2.6
235.09694	0.8
359.11356	2.7
371.11044	1.0
372.12189	0.8
374.08389	0.7
387.10571	2.4
387.14828	6.2
402.13232	2.2
403.13892	1.9
411.28119	0.6
416.14774	1.5
417.15485	28.9
418.15988	2.5
459.58762	0.7
565.20319	2.6
580.19354	1.7
595.21826	42.5
596.21918	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76965	0.3
59.01381	3.2
59.01614	0.3
61.98818	0.6
67.12451	0.3
69.03456	0.7
71.01371	2.2
73.02958	1.0
74.18967	0.2
78.32729	0.3
80.02678	0.7
81.03474	0.8
83.01421	0.3
83.05017	3.8
84.02174	0.7
85.02969	1.3
87.00854	0.7
89.02439	1.8
93.03481	0.4
95.01389	0.5
95.05019	0.4
96.96074	0.3
97.02959	0.4
101.02454	3.0
113.02423	1.4
119.03474	0.3
125.06100	0.5
125.09730	0.5
133.05055	0.3
141.09167	0.5
141.10182	0.3
143.03438	0.4
145.04996	0.3
153.09151	0.5
153.12851	1.2
161.04567	1.5
163.11288	3.4
165.12833	1.6
169.12328	6.2
169.13687	0.4
171.10274	1.0
179.10806	0.9
181.12418	0.4
191.05577	3.6
191.10817	0.7
192.05888	0.6
197.11816	100.0
198.12149	5.1
199.13417	0.9
201.11264	0.7
207.10263	0.4
209.11812	77.3
210.12148	4.3
211.13475	0.3
223.13434	0.7
227.12874	12.0
228.13213	0.6
233.44879	0.3
233.67137	0.3
235.08182	3.2
235.13391	1.5
253.09270	8.1
254.09688	0.4
325.83350	0.3
347.60910	0.3
354.51529	0.3
371.22308	0.4
389.23453	0.8
433.20700	4.4
445.20615	1.3
451.21332	0.4
607.30780	0.5
625.31665	0.9
642.79211	0.5
643.32587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32700	0.2
59.01377	1.8
61.98819	0.6
68.67139	0.2
69.03429	0.2
71.01389	1.8
71.52319	0.3
73.02930	0.3
74.53181	0.2
78.95903	1.2
81.70567	0.2
83.05031	0.4
85.02951	0.5
85.10838	0.2
87.00872	0.4
89.02427	1.3
101.02436	1.7
101.65727	0.2
109.06535	0.3
113.02460	0.6
119.03484	0.5
133.16301	0.2
135.04544	0.2
149.02460	0.2
152.99579	0.8
153.12209	0.2
155.10750	0.3
161.04562	0.5
165.12871	0.3
167.14417	0.4
169.01410	0.5
173.04590	0.3
183.13881	5.7
191.05608	1.5
193.12325	1.8
197.11867	0.5
199.09761	0.4
209.11839	1.6
211.13379	100.0
212.13686	4.4
223.13402	0.5
225.11301	0.3
227.12796	0.3
235.08231	1.7
245.17644	0.4
253.09259	4.2
254.95488	0.2
261.57483	0.2
270.43118	0.2
283.91061	0.3
363.12216	0.5
387.25494	0.7
405.26553	0.2
429.20938	0.5
447.22253	3.9
448.22879	0.3
452.67776	0.2
623.33698	0.9
629.87427	0.2
641.33405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60803	0.2
59.01378	1.5
61.98816	0.5
65.81931	0.2
69.03447	0.3
71.01383	1.6
71.41702	0.3
73.02928	0.5
78.58366	0.2
83.04993	0.2
85.02961	0.3
87.00884	0.4
89.02452	0.9
101.02450	1.5
105.45214	0.2
113.02437	0.8
118.30810	0.2
119.03489	0.3
120.03854	0.2
121.83073	0.2
155.10835	0.3
161.04532	0.5
165.12762	0.2
167.14366	0.6
183.13895	6.5
184.14236	0.3
193.12283	1.7
211.13379	100.0
211.56244	0.2
212.13710	4.9
212.15623	0.4
235.08165	1.1
253.09286	3.6
254.09476	0.3
275.01706	0.2
320.24213	0.2
387.25412	0.5
405.26648	0.3
426.93912	0.2
429.21057	0.4
447.22293	4.2
448.22925	0.4
623.34106	0.6
641.37585	0.3
641.47205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01204	0.2
51.33971	0.2
57.03416	0.2
59.01382	1.2
61.98825	0.4
69.03452	0.3
71.01381	1.6
73.02947	0.2
83.01417	0.2
83.05009	0.2
85.02934	0.5
87.00878	0.4
89.02454	1.0
94.95443	0.2
97.06614	0.3
101.02464	1.4
113.02424	0.9
118.79637	0.2
119.03484	0.3
145.05074	0.2
151.11310	0.2
152.99570	0.2
161.02408	0.2
161.04526	0.6
165.12866	0.4
167.14383	0.6
169.12344	0.6
171.10272	0.3
181.12346	0.2
183.13893	6.0
184.14261	0.3
191.05521	0.3
193.12320	1.8
197.11891	0.5
209.11824	1.2
211.13383	100.0
212.13716	4.5
225.11305	0.3
235.08183	1.8
253.09282	3.8
261.62653	0.2
387.25485	0.7
405.26480	0.5
429.21347	0.7
432.14264	0.8
447.22351	4.2
448.22733	0.5
470.98495	0.2
597.33014	0.2
623.33911	0.7
641.31250	1.4
667.41443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53063	0.6
55.59500	0.6
59.01377	4.4
61.98830	28.7
67.01882	0.8
69.03458	3.6
71.01373	3.0
78.95908	5.7
80.96507	1.6
81.03445	1.4
83.01373	2.2
83.05009	0.9
85.02922	2.1
86.25331	0.7
87.00882	1.2
89.02435	1.7
92.96136	0.7
93.03423	2.4
95.01383	3.6
96.95983	2.0
96.96929	1.2
97.02962	3.5
97.06601	0.7
99.04527	0.8
101.02416	1.6
102.98516	1.0
107.01341	2.5
108.02164	1.5
109.02937	1.4
113.02424	0.9
122.03778	1.8
123.00884	8.6
123.04479	1.0
124.01662	24.5
125.02448	64.5
126.02693	1.0
133.02971	7.4
135.04538	7.4
136.70813	0.7
137.02460	3.8
137.03276	0.7
139.00270	0.8
149.99576	26.6
150.99402	0.7
151.00383	9.4
151.07585	1.9
152.99551	1.6
153.01814	0.9
161.02437	19.3
162.02802	1.2
163.11194	0.8
167.03403	1.9
168.00639	47.8
169.01411	32.8
170.01707	1.2
171.10323	1.4
173.04434	1.6
179.03438	2.9
191.05611	12.2
192.05887	1.4
195.10231	3.4
197.11768	2.4
207.10173	1.5
209.11877	6.1
225.11276	1.2
227.12897	1.1
235.13205	0.8
245.41779	0.7
263.21042	0.7
309.20697	0.9
313.05542	1.0
326.76431	0.9
405.49948	1.0
433.29642	0.9
461.28308	1.9
479.29895	1.7
578.26489	2.4
579.28064	18.0
641.27863	100.0
642.28247	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	641.346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	7.5
71.53599	1.3
78.95902	100.0
80.02678	1.0
81.03452	1.2
83.05025	5.4
84.02170	1.4
93.91348	0.7
95.05010	1.4
96.96966	9.6
134.98520	2.1
152.99579	63.5
153.99922	1.0
163.11263	3.4
165.12823	3.0
171.00639	1.0
209.11813	74.5
210.12112	3.7
227.12852	11.4
277.21701	32.0
278.22040	2.7
288.81955	0.8
296.79678	0.8
363.12109	47.9
364.12433	4.3
381.13193	12.2
382.13608	1.0
413.21030	6.8
414.21747	1.1
431.21924	3.3
641.34558	32.0
641.45148	1.7
642.34613	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	641.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46373	0.9
59.01362	1.6
60.45331	0.8
61.98818	2.8
70.94099	1.6
74.91399	0.8
78.95904	100.0
83.05020	1.9
84.02158	1.0
84.04262	0.7
84.09659	1.1
84.20593	0.7
92.19266	0.9
96.96947	7.0
116.92857	1.3
134.98558	0.9
150.07332	1.0
150.97960	1.0
152.99582	59.0
153.99908	1.1
155.21809	0.9
163.07635	1.0
163.11278	1.5
165.12860	1.1
194.41568	1.0
209.11804	30.7
210.12181	1.9
227.12897	8.8
234.46416	1.0
263.94171	1.0
277.21710	54.2
278.21942	4.9
334.86111	0.9
345.27863	2.2
363.12097	18.0
364.12363	1.1
381.13184	2.8
413.20981	21.3
414.21188	1.7
431.21976	11.1
529.22607	1.6
641.34534	29.1
641.45087	1.5
642.35150	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	641.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42429	0.4
54.59865	0.5
59.01374	2.3
61.98825	4.1
69.03448	2.4
71.01379	1.0
71.54819	0.5
74.99078	0.5
78.95906	6.3
81.03484	1.1
83.01402	0.7
85.02966	0.9
87.00868	0.4
87.85652	0.4
88.98801	0.5
89.02457	1.2
93.03464	1.8
95.01399	1.3
96.96024	0.8
97.02953	1.4
101.02462	0.4
107.01370	1.3
108.02160	0.5
109.02959	0.8
111.00897	0.5
113.02493	0.5
116.92889	1.3
120.38263	0.5
121.02949	0.6
123.00871	2.4
123.04518	0.8
124.01669	4.7
125.02444	85.4
126.02782	2.0
133.03065	0.6
135.04529	1.4
137.02469	0.7
139.00351	0.7
151.00365	3.4
152.99574	2.5
161.02473	2.5
166.99908	0.7
167.03575	0.7
168.00642	6.5
169.01418	100.0
170.01770	2.8
173.04538	0.9
178.99844	1.7
179.03400	0.6
191.03905	0.7
191.05598	5.9
201.11327	1.5
209.11827	3.2
242.02180	0.6
243.02907	0.6
255.03049	1.3
271.02402	3.2
299.01892	3.0
300.02777	5.0
301.03510	6.4
302.03812	0.8
331.06665	1.3
363.12079	0.5
381.13196	0.7
431.06030	1.1
447.09427	2.3
461.28589	0.8
463.06653	3.6
495.09225	3.4
591.25708	0.7
609.26648	1.3
641.28082	63.6
642.28339	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	641.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79190	0.4
55.94891	0.4
59.01377	62.1
60.01703	0.5
61.98842	2.3
64.99606	0.5
71.01376	1.6
71.53440	0.7
83.01423	0.6
85.02948	1.1
85.56453	0.4
89.02435	1.1
93.03458	1.1
96.96020	1.1
101.02461	0.8
107.01393	0.7
109.02912	1.0
113.02460	0.7
121.02926	0.4
123.04523	0.9
125.02457	0.8
135.04524	0.5
137.02415	0.5
151.00369	2.2
151.03987	3.9
161.02446	3.4
161.04518	0.5
165.05566	0.8
169.01468	0.9
176.04704	2.3
179.03484	35.9
180.03835	1.5
191.05585	3.7
191.07153	1.3
194.05820	38.5
195.06248	1.4
209.08171	100.0
210.08510	5.5
301.03494	3.5
311.03412	0.5
313.03427	0.6
383.83292	0.5
419.17084	7.1
447.07089	1.9
465.07794	1.7
641.29175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14063	0.7
59.01379	100.0
60.01696	1.1
61.98829	9.0
69.03461	1.4
71.01373	1.8
71.54010	0.9
72.99304	0.9
77.77337	0.9
78.91862	0.9
78.95904	0.9
83.87273	0.7
84.43194	0.7
85.02945	1.9
87.00882	1.1
88.28048	0.8
88.98806	1.4
89.02410	1.6
93.03443	2.0
101.02445	1.6
109.02946	2.3
113.02485	1.2
121.02914	1.6
123.04489	1.5
125.02455	8.7
132.19881	0.8
133.02919	1.5
135.04494	3.1
137.02391	1.3
149.02502	0.9
151.00322	1.2
151.04030	4.3
152.01118	0.9
161.02467	4.2
165.05624	1.0
169.01422	7.8
176.04770	1.3
178.99950	1.2
179.03487	35.2
180.03847	1.2
191.05608	11.2
191.07162	1.5
194.05836	39.8
195.06224	1.6
202.99831	1.9
209.08180	97.9
210.08482	3.6
255.03056	1.2
352.02353	1.2
353.02896	1.5
384.04788	1.5
385.05618	2.3
419.17032	10.5
429.36746	0.9
447.07230	2.4
462.16940	1.4
531.11609	1.9
547.11066	2.5
599.03424	0.9
641.15015	3.3
641.28107	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	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13758	0.6
61.98837	5.6
63.02381	1.3
65.00295	1.7
66.67290	0.7
71.01344	1.4
71.54401	0.6
71.54798	0.7
72.82063	0.6
73.24125	0.6
83.01371	1.3
85.02918	1.6
88.98773	1.0
93.03408	1.9
95.01360	1.0
103.00365	1.3
107.01392	4.3
108.02113	1.8
109.02951	16.3
113.02467	1.2
119.15723	0.6
121.02960	5.3
123.04478	0.8
125.02406	2.5
132.02148	0.7
133.02995	0.9
135.04489	3.1
137.02357	0.8
139.03987	1.9
145.02913	0.9
147.00847	0.8
148.01590	2.6
149.02380	2.7
150.99219	0.9
151.00369	17.0
152.01036	1.7
159.00807	2.6
161.02435	4.5
163.00304	1.5
163.03960	0.7
167.03572	1.1
169.01440	0.8
173.02312	0.8
175.00386	4.0
176.01103	1.6
177.01921	4.6
178.99883	8.4
179.03391	0.6
183.04529	0.7
187.00267	1.4
188.01163	3.4
189.01842	2.3
191.03572	1.1
191.05533	6.9
202.99864	23.2
203.03419	1.0
204.00104	1.0
204.04147	1.1
205.01324	1.0
205.04823	0.8
211.03902	2.3
214.99763	1.2
215.98587	0.8
216.00642	13.9
217.01300	1.8
223.03839	0.8
225.05557	1.3
226.02580	0.7
227.03476	2.4
230.99284	1.4
235.02310	4.6
239.03387	2.5
240.04303	1.2
241.05127	1.4
243.02870	0.8
247.02391	2.7
248.02899	0.8
251.03453	1.7
253.04956	1.9
255.02994	3.5
263.01581	1.1
267.03006	2.6
268.03790	1.0
269.04376	1.6
271.02393	2.2
279.02988	3.8
280.03656	1.5
281.00891	1.8
281.04440	3.6
282.01556	2.0
283.02484	8.4
284.02859	0.8
285.04095	1.0
295.02505	5.8
296.03098	1.3
297.03979	5.7
299.01810	0.8
300.02682	1.5
301.03516	18.5
302.03857	1.0
307.02466	17.1
308.03015	2.0
309.03818	1.6
311.01999	4.0
313.03519	1.3
323.01971	12.2
324.02661	6.7
325.03473	8.0
335.02008	1.7
352.02200	11.9
353.02994	35.2
354.03320	2.6
384.04831	35.1
385.05606	42.5
386.06030	2.0
421.05588	2.5
447.07193	7.6
449.10818	0.9
463.06717	14.9
464.07211	1.4
465.08194	2.0
477.06937	1.9
495.09268	2.2
499.08685	1.7
517.09943	1.3
531.11389	100.0
532.11884	12.2
609.12848	1.3
629.95123	0.7
641.15118	24.4
641.23694	1.0
641.33160	1.3
642.15802	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	641.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.0
63.02398	1.6
65.00333	2.3
69.60989	1.8
69.61395	3.8
71.01377	2.2
78.95934	0.9
81.03483	1.5
83.01388	2.5
83.05020	2.3
85.02958	2.3
87.00858	0.7
88.98805	2.0
89.02439	1.9
93.03465	2.7
95.01363	1.1
96.96017	0.9
98.19968	1.2
101.02437	0.8
103.00385	3.1
107.01384	6.3
108.02186	2.8
108.02902	0.8
109.02945	20.1
109.58447	0.7
113.02441	1.7
120.99599	0.8
121.02940	5.0
123.00829	1.2
124.01615	1.7
125.02435	3.1
125.20120	0.7
126.83350	0.7
127.03960	1.0
133.02943	2.7
135.04521	5.6
137.02438	2.5
139.04004	2.3
145.02957	1.2
147.00887	1.2
148.01640	1.7
149.02443	1.7
149.06073	0.8
150.03267	0.9
151.00360	24.0
151.04005	1.2
152.01170	4.5
159.00858	3.5
161.02441	7.2
163.00368	1.7
163.03949	2.1
169.01462	2.0
173.02483	2.0
175.00380	4.1
176.01128	2.4
177.01944	4.3
178.99852	15.3
179.03537	3.2
187.00354	1.4
188.01137	2.1
189.01933	2.4
191.03667	1.7
191.05589	11.1
191.07204	1.3
192.05933	1.2
193.01462	1.2
193.03265	0.9
199.03926	1.3
201.01987	1.6
202.99847	23.2
203.03406	1.4
204.04247	2.7
211.03976	2.9
214.99854	0.8
216.00595	12.0
217.01373	1.4
219.02699	0.9
223.03925	0.9
224.04865	0.7
225.05501	1.4
227.03488	2.4
229.04968	1.4
229.25610	0.9
230.99519	0.8
235.02310	6.2
239.03462	3.1
240.04091	1.4
241.04903	1.4
243.02969	1.0
243.17200	1.0
247.02449	2.1
251.03452	2.0
253.05119	2.7
255.02892	5.3
257.04425	0.8
264.04160	1.1
266.02267	0.8
267.02939	2.7
268.03693	1.1
269.04510	1.7
271.02405	2.4
279.03091	3.8
280.03506	1.7
281.00961	1.4
281.04532	4.9
282.01724	1.4
283.02444	8.0
284.03302	0.9
295.02451	7.7
296.03061	1.8
297.03992	5.9
300.02701	1.1
301.03497	25.2
302.03876	2.2
307.02405	14.0
307.05731	1.2
308.03082	2.3
309.04044	2.8
311.01971	7.6
313.03433	1.7
323.01990	10.4
324.02795	5.6
325.03488	9.9
326.03757	1.1
327.05118	1.2
335.01794	1.3
339.05078	1.7
352.02197	11.6
353.02979	34.4
354.03452	3.0
384.04831	29.2
385.05582	41.0
386.05801	2.9
407.38455	0.8
419.04190	1.0
421.05618	2.6
447.07043	7.5
463.06677	36.9
464.07327	3.7
465.08371	1.7
465.14835	0.8
477.06998	1.3
480.50125	1.0
495.09460	5.2
499.08704	1.4
517.09772	1.3
531.11371	100.0
532.11688	10.6
537.16534	1.0
609.12659	3.6
641.15051	22.7
641.24530	1.9
641.33398	1.3
641.41962	4.9
642.15173	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	640.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79097	0.6
53.12463	0.6
59.01373	5.0
61.98827	100.0
69.27936	3.0
69.28352	2.4
71.01380	3.2
73.02970	0.8
78.95895	3.8
85.02954	2.0
88.98789	1.4
89.02457	3.1
93.03461	1.2
98.20675	1.2
101.02419	1.8
108.36353	0.7
108.42525	0.6
109.02970	0.6
113.02467	1.3
117.03491	0.8
119.03497	1.2
125.02444	2.0
125.70441	0.6
132.02107	1.2
133.02954	30.0
134.03679	1.2
135.04533	11.8
137.02431	1.5
149.06099	0.6
151.00351	0.9
161.02429	98.6
162.02769	4.4
169.01421	2.0
173.04526	0.7
177.05653	0.8
179.03500	8.3
187.65651	0.6
191.05592	8.7
221.04539	1.0
346.13602	1.7
393.87476	0.6
459.27213	0.8
460.27621	2.1
553.17578	0.7
577.26471	95.3
578.26898	13.6
640.32849	1.0
641.28027	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17084	0.4
59.01370	1.8
61.14014	0.5
63.02391	1.2
65.00313	1.6
68.62447	0.5
71.01378	2.1
71.52742	0.6
72.99273	0.6
83.01383	1.8
85.02941	2.5
87.00853	0.9
89.02442	0.7
91.01888	1.0
93.03462	2.8
93.84832	0.5
94.47023	0.4
96.96008	0.7
107.01369	4.5
109.02935	4.6
111.00922	0.7
111.29058	0.5
113.02440	1.0
115.00349	0.5
119.05024	9.0
121.02950	7.3
125.02460	2.5
133.02942	1.4
135.04515	0.8
137.02397	0.8
139.03989	2.1
140.04292	0.5
145.02921	1.1
149.02431	3.2
150.36015	0.5
151.00360	21.0
153.01968	0.7
159.04497	1.1
161.02441	1.8
161.05980	1.1
163.00298	1.7
163.03981	0.7
165.01942	0.6
169.01440	1.9
173.04655	0.6
173.05984	0.6
176.06670	0.5
177.01915	7.4
178.99843	9.1
179.03368	0.9
183.02977	0.6
185.06076	1.5
187.03990	6.4
189.01892	1.0
190.02693	0.7
191.05605	13.5
201.05556	0.8
203.03513	0.6
203.07112	1.3
205.01370	2.2
211.04120	1.2
213.01993	0.6
227.03481	1.6
227.06982	0.7
229.04997	10.2
245.04550	1.7
247.06136	2.0
255.02911	4.8
256.03577	0.7
257.04517	1.0
259.02240	0.6
271.02466	1.2
271.06052	1.8
273.03979	1.2
283.02573	1.1
293.10205	0.6
299.01923	1.0
300.02679	2.1
301.03497	100.0
302.03815	6.6
315.04977	1.5
327.05063	16.0
328.05499	1.2
343.04453	5.1
371.14856	1.3
421.09100	2.5
465.08209	14.3
466.08548	1.6
477.06732	32.3
478.07309	3.2
503.08279	1.8
641.10876	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	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.0
58.00588	4.0
59.01378	74.1
61.98832	31.7
69.03447	3.3
71.01378	53.3
71.53539	2.0
72.99302	7.4
73.02942	3.5
75.00876	1.4
78.95880	3.5
79.05505	1.5
83.01382	5.3
83.05035	8.8
85.02953	16.3
87.00870	5.5
88.98801	8.9
89.02446	48.3
93.03456	7.2
95.01407	3.4
95.05019	1.6
96.96000	3.7
97.06586	2.3
99.04517	55.0
100.04853	2.7
101.02437	25.2
101.03095	1.4
107.05047	1.7
109.02937	6.7
109.06600	1.9
111.00904	1.7
113.02454	17.4
116.92826	2.4
117.35839	1.3
119.03498	21.1
120.05859	1.7
120.99651	3.6
121.02939	2.1
123.08137	2.6
125.02467	4.4
125.09711	3.2
131.03473	3.6
131.07103	3.1
133.02946	1.4
135.04495	5.3
135.08165	12.6
137.02432	2.4
143.03481	3.2
144.93266	1.4
149.04588	3.5
151.00340	3.9
151.04015	3.2
153.01929	1.6
159.22070	1.5
161.02461	4.7
161.04538	3.4
169.01390	4.7
173.04521	3.3
173.13303	1.5
175.04088	1.4
177.01849	1.7
178.99799	3.0
179.03488	5.1
179.05618	10.9
179.07072	1.9
189.12830	2.6
191.05611	39.5
191.14352	16.8
192.05965	2.9
202.99879	7.6
210.44678	1.3
216.00636	1.9
217.12280	1.8
235.13382	89.1
236.13785	8.5
261.15085	2.5
267.03024	1.5
273.15082	1.6
279.06747	1.5
289.04712	1.5
291.03256	2.4
297.04147	1.7
300.02704	1.6
301.03537	2.0
307.02551	3.2
307.06134	1.7
319.06076	1.8
331.06293	2.5
347.05527	2.5
353.02960	10.9
357.04230	1.6
359.05627	5.4
375.05045	5.9
397.36032	1.5
402.03580	1.5
403.04654	14.6
404.04666	3.1
419.03925	2.9
421.05402	2.7
441.26602	2.1
447.09091	1.8
459.27481	100.0
460.27826	13.6
461.05014	2.5
463.06738	23.9
464.06946	2.6
493.07730	1.9
559.14258	3.3
565.10181	2.0
577.15472	5.3
595.10913	6.4
639.10016	17.7
639.34503	29.0
640.10138	4.0
640.33960	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	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.0
58.00588	4.0
59.01378	74.1
61.98832	31.7
69.03447	3.3
71.01378	53.3
71.53539	2.0
72.99302	7.4
73.02942	3.5
75.00876	1.4
78.95880	3.5
79.05505	1.5
83.01382	5.3
83.05035	8.8
85.02953	16.3
87.00870	5.5
88.98801	8.9
89.02446	48.3
93.03456	7.2
95.01407	3.4
95.05019	1.6
96.96000	3.7
97.06586	2.3
99.04517	55.0
100.04853	2.7
101.02437	25.2
101.03095	1.4
107.05047	1.7
109.02937	6.7
109.06600	1.9
111.00904	1.7
113.02454	17.4
116.92826	2.4
117.35839	1.3
119.03498	21.1
120.05859	1.7
120.99651	3.6
121.02939	2.1
123.08137	2.6
125.02467	4.4
125.09711	3.2
131.03473	3.6
131.07103	3.1
133.02946	1.4
135.04495	5.3
135.08165	12.6
137.02432	2.4
143.03481	3.2
144.93266	1.4
149.04588	3.5
151.00340	3.9
151.04015	3.2
153.01929	1.6
159.22070	1.5
161.02461	4.7
161.04538	3.4
169.01390	4.7
173.04521	3.3
173.13303	1.5
175.04088	1.4
177.01849	1.7
178.99799	3.0
179.03488	5.1
179.05618	10.9
179.07072	1.9
189.12830	2.6
191.05611	39.5
191.14352	16.8
192.05965	2.9
202.99879	7.6
210.44678	1.3
216.00636	1.9
217.12280	1.8
235.13382	89.1
236.13785	8.5
261.15085	2.5
267.03024	1.5
273.15082	1.6
279.06747	1.5
289.04712	1.5
291.03256	2.4
297.04147	1.7
300.02704	1.6
301.03537	2.0
307.02551	3.2
307.06134	1.7
319.06076	1.8
331.06293	2.5
347.05527	2.5
353.02960	10.9
357.04230	1.6
359.05627	5.4
375.05045	5.9
397.36032	1.5
402.03580	1.5
403.04654	14.6
404.04666	3.1
419.03925	2.9
421.05402	2.7
441.26602	2.1
447.09091	1.8
459.27481	100.0
460.27826	13.6
461.05014	2.5
463.06738	23.9
464.06946	2.6
493.07730	1.9
559.14258	3.3
565.10181	2.0
577.15472	5.3
595.10913	6.4
639.10016	17.7
639.34503	29.0
640.10138	4.0
640.33960	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	639.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91114	0.5
57.03436	0.6
59.01373	1.1
65.00320	1.1
69.23179	6.2
71.01377	1.4
85.02956	4.0
87.00872	2.0
93.03444	1.9
94.97556	0.6
98.20640	1.5
107.01382	1.8
107.28339	0.6
109.02936	2.5
121.02950	2.4
127.04065	0.8
147.19510	0.8
148.01665	1.3
151.00363	11.1
153.59303	0.6
163.00423	3.0
173.04530	0.8
178.99863	5.7
190.07971	0.7
191.02016	0.8
191.05606	26.9
192.05920	1.1
195.66850	0.6
211.03900	1.0
227.03502	2.0
229.04950	1.2
243.03003	6.5
245.04501	1.7
254.02142	1.6
255.02963	15.5
255.05455	1.3
256.03271	1.0
271.02466	30.1
272.02924	2.4
273.04010	1.3
283.02411	1.5
300.02722	60.9
301.03485	46.2
302.03876	2.4
447.09280	100.0
448.09665	9.5
639.32196	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	639.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01702	0.9
61.98822	2.2
70.27676	0.7
70.28043	0.8
71.01385	1.0
73.02946	0.4
73.43954	0.3
77.70374	0.3
78.95905	0.9
85.02983	0.8
86.71384	0.3
93.03458	0.5
109.02953	0.4
113.02467	0.7
124.01756	0.4
125.02416	0.5
130.68419	0.4
135.04547	0.5
137.02473	1.0
161.02489	0.6
163.03880	0.3
163.07642	0.5
169.01389	0.5
171.10338	0.5
190.06384	1.2
191.05591	0.8
191.07185	1.5
205.08821	1.1
206.09401	0.8
209.11821	2.6
210.12321	0.5
211.13420	1.3
271.02557	0.4
300.02618	0.4
341.60263	0.4
359.15018	0.4
387.14706	1.4
402.17111	1.0
417.19128	10.3
418.19437	0.8
639.25610	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	637.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
56.79013	0.6
57.03442	1.7
59.01382	12.3
61.98828	3.4
65.03961	3.2
66.16639	0.6
69.03443	1.9
71.01382	14.4
71.09624	1.3
72.99293	1.6
73.02944	3.0
78.95903	1.6
83.01373	2.0
83.05009	1.7
85.02951	4.3
86.93699	0.6
87.00876	3.5
89.02450	6.4
91.05522	1.3
93.03457	1.4
95.01386	1.6
95.05025	1.7
97.02911	1.1
97.06585	2.3
99.00851	0.7
101.02439	8.8
107.05060	1.1
109.06570	1.2
113.02460	4.2
115.05553	1.9
119.03487	0.7
119.05038	0.8
121.06604	0.8
123.08144	0.8
125.02451	2.0
125.09727	9.1
133.10300	0.8
135.08128	1.4
138.37952	0.7
139.04007	1.3
145.05037	2.3
157.10225	0.8
161.04541	2.0
162.88112	0.8
165.12834	0.7
168.00587	0.7
169.01428	1.0
171.10262	2.1
185.11794	3.1
185.13362	1.0
187.09738	1.2
187.14877	3.9
189.12828	0.9
191.05554	2.9
191.10814	1.3
205.12312	1.2
209.11816	12.4
211.13399	2.5
213.12839	5.4
215.10741	1.2
221.15479	1.6
227.14471	1.0
231.13876	11.4
233.11821	2.2
235.08156	2.8
235.13295	1.0
247.13414	1.0
249.14928	2.4
253.09219	1.1
261.14981	1.0
289.18155	0.8
321.22107	0.7
329.24899	1.7
339.23145	2.4
345.16873	0.8
355.22702	1.9
357.24283	1.9
365.21136	2.3
373.23773	2.9
383.22247	14.5
384.22461	1.4
391.24719	2.3
401.23288	19.5
402.23691	2.4
419.24457	5.8
457.29718	1.4
609.32587	1.3
619.31195	100.0
620.31531	13.4
637.32141	30.3
638.32458	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	637.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02646	0.8
57.60551	0.8
59.46630	0.7
61.98829	2.2
69.17865	4.9
69.18288	2.1
78.95905	100.0
83.05068	1.8
96.96976	9.1
119.79227	0.7
127.11271	1.1
134.98491	1.3
139.11282	0.9
150.98003	1.0
152.99580	49.0
153.99852	0.7
163.11272	0.8
165.12859	1.2
171.00636	1.2
171.10316	1.4
201.11320	14.3
209.11824	19.9
227.12901	3.1
255.23289	77.5
256.23672	6.0
291.19696	4.1
307.19189	1.0
309.20682	9.0
310.21390	0.9
312.19791	0.8
363.12167	6.9
381.13242	6.3
391.22574	15.6
392.22552	1.2
395.40842	0.9
401.76700	0.7
409.23648	9.1
503.34048	0.8
583.40161	1.2
593.34528	4.6
601.40936	0.9
619.36090	28.8
619.46234	1.5
620.36267	3.8
637.37158	46.4
638.37720	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	635.4143
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
59.01377	14.2
61.78070	0.6
71.01376	17.3
71.52158	0.8
73.02937	1.1
78.95900	47.2
83.01375	0.9
85.02934	1.1
86.61897	0.6
89.02441	23.2
95.01359	0.7
96.96986	3.3
97.50664	0.7
101.02441	7.2
113.02447	4.7
119.03489	3.1
131.03499	1.4
143.03455	1.6
149.04587	1.3
152.98380	1.4
152.99582	21.5
153.00822	1.1
161.04527	2.2
163.11264	1.0
171.10191	4.6
179.05603	11.6
197.11813	1.0
199.13380	0.9
207.10210	1.1
211.13516	1.4
225.11295	4.9
225.14975	0.6
227.99924	0.7
255.23260	29.3
256.23633	2.1
261.48541	0.7
277.21872	0.7
283.06622	0.7
289.18076	1.3
291.19626	3.8
309.20697	10.4
310.21118	1.0
311.22003	1.2
337.16995	0.8
343.24936	3.6
361.10388	1.2
379.11606	2.9
391.22421	6.8
392.22632	0.8
407.33224	1.5
409.23660	4.9
455.35272	100.0
456.35638	11.8
617.34540	2.5
635.35614	10.1
635.45032	1.7
636.35974	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.77313	0.4
71.01383	2.2
85.02955	0.6
89.02431	3.2
101.02468	1.5
104.55168	0.5
113.02487	1.2
113.43067	0.5
119.03481	1.5
179.05681	0.6
229.20486	0.5
281.20029	0.5
307.77347	0.5
420.53726	0.5
474.48792	0.5
536.69299	0.5
586.89838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18811	6.0
58.00570	6.4
59.01376	69.3
63.47552	6.9
69.03463	38.2
69.43958	46.1
71.01386	40.4
74.50748	6.1
75.48238	6.2
85.02924	14.1
87.00889	12.4
89.02453	44.9
93.03454	7.9
95.01357	9.7
95.05015	18.0
97.02943	7.8
100.93495	6.0
101.02425	28.3
107.05034	11.0
109.02934	8.6
110.03654	7.7
111.04523	100.0
113.02441	19.3
119.03483	25.9
119.04993	15.6
121.02962	19.0
121.06606	8.7
123.04510	21.2
125.02409	18.3
133.06647	7.0
135.04471	6.8
135.57805	6.0
137.02432	33.6
137.06035	25.7
147.04526	8.0
149.05975	8.8
159.08142	7.1
163.04022	12.3
165.05521	29.5
169.01431	8.8
173.06033	7.6
175.07597	11.3
177.05566	14.8
179.05621	10.7
191.05547	24.7
191.07123	15.1
217.08597	11.3
223.43938	6.1
224.60257	6.3
261.07556	14.6
299.07285	6.6
397.15054	7.7
441.13998	61.7
453.13760	10.0
459.15051	11.1
466.07147	16.0
467.07205	33.5
473.12576	11.5
495.15512	8.7
503.13794	25.5
533.14972	7.5
575.15765	7.7
593.17188	77.5
594.17450	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	635.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32080	0.2
57.45894	0.3
59.01374	1.6
61.98821	0.5
69.03443	1.8
71.01376	0.7
71.53571	0.3
73.02897	0.2
78.95497	0.3
78.95883	1.9
79.95731	3.1
85.02943	0.5
88.98793	0.4
89.02456	0.6
93.03482	0.4
95.05006	0.3
96.96008	100.0
97.95914	0.3
98.74250	0.3
99.04493	0.3
101.02448	0.4
113.02477	0.3
121.06634	0.4
125.02431	0.5
133.02950	3.2
134.03705	0.6
135.04523	10.3
149.13544	0.3
151.07655	0.4
161.02435	18.1
162.02794	0.7
165.01904	0.3
169.01445	0.8
179.03484	7.8
179.04965	0.5
180.04051	0.3
189.96753	0.2
191.05623	1.1
195.06639	0.4
331.11838	0.5
375.12695	1.9
402.22565	0.3
465.06738	1.2
514.26654	0.3
526.44250	0.3
537.16095	10.6
538.16180	1.4
635.31543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.0
63.37550	1.6
69.03461	14.0
75.41772	1.2
85.02962	7.9
87.00861	2.6
93.03455	4.1
93.42797	1.3
95.05040	3.9
98.20644	4.4
98.53440	1.4
125.02420	12.2
127.02528	4.7
135.04517	3.6
149.00931	1.7
153.04051	2.7
161.02428	2.1
169.01401	16.0
173.00943	6.9
173.04535	6.2
175.02492	16.5
179.01976	4.6
179.03471	2.6
179.05615	2.4
183.06584	2.4
190.01146	2.5
191.05603	68.2
192.05942	4.8
195.01453	11.4
201.00385	15.8
202.00574	1.8
205.03522	6.3
205.07077	2.0
215.05669	1.9
217.03520	9.9
218.99342	3.1
219.01468	52.8
219.03555	3.0
220.01657	2.7
223.04422	1.7
225.03893	2.3
227.01913	1.8
227.05579	2.6
231.03453	9.0
243.05151	2.3
245.03046	2.1
253.03545	6.8
254.03802	2.5
259.04642	4.3
271.04749	2.2
275.01910	2.4
279.05066	4.1
283.06717	24.9
284.07001	2.5
287.04178	2.8
289.02084	15.6
291.07162	1.6
295.04453	2.4
297.35559	1.5
300.99918	2.3
302.00287	2.6
303.00418	3.6
309.08286	35.9
310.08350	2.7
313.05511	6.6
315.03799	3.7
331.03250	8.7
353.08267	1.9
357.04626	1.7
367.06619	3.9
375.05701	65.3
376.05969	5.8
393.06714	25.8
394.06989	2.2
397.09949	16.2
398.10162	2.4
421.07141	1.6
465.06683	16.7
466.78232	2.0
489.08884	5.0
559.13049	100.0
560.13177	16.4
635.08221	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	635.4154
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
50.75618	1.0
52.93856	0.9
58.00582	1.2
59.01377	16.5
61.98811	4.0
64.28135	1.3
69.54597	7.3
71.01380	20.0
72.99294	1.1
78.95901	44.0
85.02927	2.2
87.00865	1.4
87.02146	1.1
89.02443	28.3
96.96967	3.8
97.02981	1.1
98.20609	2.6
101.02435	7.2
104.92799	6.1
113.02433	4.5
119.03487	4.8
131.03462	1.7
143.03470	3.5
149.04414	1.4
152.99588	19.6
161.04529	4.1
171.10234	3.3
179.05605	16.3
193.12206	1.2
216.57233	1.4
225.11314	6.1
243.12338	1.6
255.23268	27.7
256.23553	2.4
276.41849	1.2
289.18002	2.9
291.19577	4.7
307.19028	3.9
309.20724	7.9
325.19687	1.2
341.23407	2.3
343.24756	2.7
361.10654	1.4
379.11578	3.7
391.22440	7.2
409.23285	2.7
455.35272	100.0
456.35583	12.3
459.22391	1.2
617.34467	2.4
635.26111	3.8
635.35480	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	635.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20993	0.6
59.01373	0.9
60.34483	0.6
67.01878	0.6
69.03458	2.5
71.01382	2.7
71.52845	0.8
81.03448	0.7
83.01363	0.7
85.02943	1.5
87.00883	0.9
93.03441	0.7
95.01391	2.3
96.96011	2.3
97.02944	2.6
101.02452	1.8
107.01381	10.5
109.02947	1.7
111.00869	1.7
113.02440	1.0
123.00887	6.5
123.04537	0.9
124.01664	1.9
125.02439	86.7
126.02782	1.6
127.03780	0.7
137.02431	1.8
139.00360	2.6
140.01167	2.4
141.01917	0.7
143.03497	2.8
149.02458	1.2
150.03229	1.5
151.00400	4.3
153.01875	0.9
161.02477	1.0
165.01906	2.3
165.05591	1.3
166.99837	1.0
168.00603	5.0
169.01408	100.0
170.01729	2.6
179.03455	0.8
180.04282	1.3
181.01387	1.6
191.05576	3.4
193.01410	2.6
195.02924	0.8
195.06653	3.4
207.03014	1.0
211.02458	8.1
219.55585	0.6
223.02530	0.7
241.03551	1.0
253.03627	0.7
271.04593	5.0
295.04501	3.4
297.06119	1.1
313.05612	24.9
314.05798	1.3
423.05569	2.6
465.06656	40.8
466.07178	4.9
483.07791	11.8
484.07733	1.0
542.49451	0.7
623.72906	0.7
635.08807	67.9
636.09033	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	635.0887
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.02326	0.4
67.01875	0.6
69.03454	0.7
70.77882	0.9
70.78226	0.5
71.01384	5.9
72.99283	0.4
79.01891	1.1
81.03458	0.9
83.01402	0.8
85.02956	1.2
87.00868	0.6
93.03423	0.4
95.01392	1.6
97.02940	1.7
101.02430	1.1
107.00727	0.6
107.01402	7.5
109.02930	0.5
111.00877	1.7
113.02466	1.9
121.02968	0.7
123.00880	7.7
124.01664	1.1
125.02443	51.2
126.02781	0.7
127.00352	0.8
134.15565	0.4
136.98767	1.2
137.02472	0.9
139.00391	3.3
140.01125	2.8
141.01878	0.7
146.85872	0.4
149.02423	0.9
151.00359	6.1
153.01988	0.8
165.01932	1.1
166.02623	0.7
166.99821	1.2
167.03496	1.3
168.00644	4.4
169.01419	73.5
170.01738	1.9
173.37282	0.4
177.01880	0.4
179.03516	1.1
181.01437	0.6
193.01408	4.7
195.03017	0.8
207.02998	0.7
211.02467	6.2
223.02464	1.5
225.96391	0.5
235.02382	0.7
241.03593	1.1
250.61644	0.4
253.03459	1.2
271.04623	0.5
295.04544	2.7
297.06207	2.7
313.05621	25.3
314.05984	1.3
319.50674	0.4
465.06708	100.0
466.07077	7.0
483.07767	1.6
622.66748	0.4
635.08862	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	633.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98817	1.7
69.03449	1.0
72.14017	0.8
78.95918	6.9
80.83710	0.8
83.05076	1.1
84.02161	3.1
96.96931	0.9
97.06590	5.0
98.20671	2.0
99.04546	1.1
101.12856	0.8
101.33106	1.0
106.58821	0.8
109.06599	1.3
111.08146	1.5
113.92488	0.9
117.03444	1.5
125.09717	2.0
127.11243	1.5
145.02975	3.9
151.07637	1.0
151.11255	1.5
152.99577	4.7
153.12816	2.7
163.11255	1.2
165.12834	1.8
167.10802	1.1
169.12334	1.0
171.10271	12.5
179.14388	1.4
181.12325	2.3
185.11804	0.9
193.12251	6.2
197.11812	5.6
199.13307	2.1
209.11804	1.8
211.13321	2.7
225.11394	1.9
225.14922	8.0
227.12680	1.5
233.08395	0.9
243.12398	1.2
243.15981	3.6
247.20621	3.6
263.20166	1.0
273.18573	2.4
289.17972	0.9
291.19650	27.3
292.19934	1.0
299.93875	0.8
301.28781	1.0
305.17593	1.1
307.19034	2.5
309.20694	100.0
310.21100	6.1
341.23300	48.0
341.26758	0.7
342.23572	3.1
379.11682	1.8
397.12830	1.2
414.27115	0.8
428.77509	1.0
523.36365	1.6
615.42389	9.9
616.42096	1.0
633.45355	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19827	0.5
56.64480	0.5
57.03454	1.2
59.01370	1.6
61.98853	0.5
64.83234	0.5
68.91769	0.5
69.03459	0.7
71.01376	2.5
71.04998	1.3
71.52929	0.6
73.02953	0.6
78.95928	0.5
80.02683	1.2
81.03471	1.5
83.05025	3.7
84.02164	1.4
85.02951	1.3
93.03494	0.5
95.05016	1.6
97.02940	0.8
97.06586	1.7
98.03733	0.8
99.04525	0.9
99.08171	2.0
101.02457	0.5
108.02200	0.5
109.06557	1.2
111.08121	0.8
112.05307	1.2
115.07661	1.3
117.03458	18.7
118.03735	0.6
119.05016	6.4
121.02958	0.9
121.06587	0.7
123.04514	2.1
123.08196	1.0
124.38763	0.5
125.06075	0.8
125.09724	6.5
127.07653	7.8
127.11292	0.5
135.08141	2.5
136.08717	0.5
137.09703	2.0
139.07616	1.8
141.05576	2.6
141.09213	0.9
141.12909	0.8
145.02948	60.7
146.03310	2.3
149.06044	0.6
151.91997	0.5
153.09219	9.2
155.10764	1.5
161.09644	0.8
163.03998	4.7
163.11270	5.6
165.09222	0.7
165.12856	2.1
171.10262	11.8
177.12820	0.5
178.10010	2.7
179.10707	0.6
181.12326	1.2
185.11804	10.2
191.10748	1.0
191.14413	4.4
193.12267	0.7
197.11829	11.7
207.10251	2.6
209.11818	45.8
210.12161	2.0
211.13393	1.3
219.13921	0.6
225.11284	2.2
227.12889	1.0
236.10544	1.1
237.11327	1.0
238.12073	3.8
239.16469	0.7
243.12268	0.5
244.59297	0.7
245.19087	11.3
246.19447	1.0
251.16467	0.6
253.17990	0.6
256.13144	1.6
263.20193	0.7
265.18060	0.6
271.16992	1.4
279.19577	1.2
281.21582	0.7
289.18082	40.9
290.18414	2.9
297.20728	0.7
305.17477	0.9
307.19131	100.0
308.19458	7.5
309.20624	1.6
325.20166	64.5
326.20569	4.2
327.75818	0.6
443.27878	0.8
461.29178	0.7
469.33456	0.6
471.34714	7.8
472.34921	1.0
531.64648	0.5
553.38629	0.9
579.36768	1.1
589.38751	1.2
597.37799	2.0
615.38611	3.4
633.37933	64.4
634.38287	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	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01372	2.4
68.99809	1.3
69.03434	1.0
71.05004	1.5
71.44229	1.4
72.99300	1.9
78.95930	2.6
81.03452	1.2
83.05007	1.5
85.02972	1.4
93.03438	1.3
95.05015	2.3
97.02938	2.6
97.06572	1.4
98.03786	1.1
99.92579	23.6
109.06573	2.8
111.08112	1.4
115.92078	12.2
116.92094	1.4
116.92851	12.8
117.03450	6.0
119.04991	2.5
123.04520	2.5
123.08115	2.7
125.09712	5.1
127.07634	3.0
132.02136	1.3
133.02943	21.7
134.03778	1.1
135.04544	5.5
135.08113	1.4
136.95193	0.9
137.02470	1.8
137.09691	1.3
141.05525	1.1
141.09090	1.0
145.02950	18.6
153.09152	1.2
161.02432	61.0
162.02724	2.5
163.03989	2.8
163.11229	4.3
165.12825	15.4
167.10754	1.2
169.93102	3.2
171.10217	5.0
179.03447	2.4
181.12347	2.2
183.13887	42.4
185.11789	4.9
191.05586	1.9
191.14360	3.7
197.11763	4.6
207.10306	2.9
209.11842	7.8
211.13440	8.0
225.11308	3.4
227.12866	77.1
228.13220	2.9
245.19077	11.1
263.20123	22.1
279.03265	3.2
279.19482	1.2
281.21140	13.5
287.16284	1.8
289.18063	33.4
290.18405	2.9
291.19476	2.8
305.17526	3.5
306.17856	2.5
307.19119	45.1
308.19470	4.7
309.20773	5.8
323.18832	1.4
325.20154	30.1
326.20474	2.2
373.11096	1.4
389.10818	1.2
391.12167	1.2
467.30734	1.0
535.32599	6.0
571.23730	10.3
572.23810	3.1
585.21820	1.3
597.37128	1.2
615.22473	1.6
633.23743	17.3
633.37988	100.0
634.23761	4.2
634.38434	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	633.379
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
59.63708	0.3
63.53555	0.3
64.62161	0.3
66.34615	0.4
68.01408	0.3
70.00075	0.3
70.00396	1.4
71.16364	0.3
81.47646	0.3
109.07412	0.3
111.04475	0.3
117.03463	23.7
118.03786	0.8
119.05024	3.4
132.29636	0.4
142.40514	0.3
145.02950	100.0
146.03284	3.6
163.03996	2.8
166.67209	0.3
178.67056	0.3
189.44164	0.3
351.36386	0.3
437.30811	0.4
455.31595	0.9
467.31653	0.5
469.33209	0.9
633.37915	71.7
634.38324	11.1
634.46460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.9
62.89622	0.3
70.99483	0.5
89.03973	0.4
96.95987	0.3
108.33028	0.2
115.29212	0.3
117.03464	26.2
118.03792	1.0
119.05017	5.7
121.02939	0.8
123.04559	0.3
125.02381	0.3
125.09732	0.4
138.17027	0.2
145.02950	100.0
146.03282	3.1
147.04529	0.4
163.04021	3.4
170.89613	0.3
171.10268	0.4
237.48956	0.3
289.17889	0.6
307.19012	0.5
325.20059	1.3
390.10098	0.3
409.27087	0.3
437.30356	0.4
455.31720	1.0
467.31601	0.5
469.33530	0.7
485.32391	1.2
487.34494	0.4
513.32269	0.4
589.39331	0.3
620.67279	0.3
633.37927	84.8
634.38275	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	633.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.4
71.71019	0.2
78.95892	0.3
91.05507	0.2
93.03472	0.3
93.59785	0.2
101.54661	0.2
102.30089	0.2
107.05045	1.5
108.02139	0.3
109.29354	0.2
113.72096	0.2
114.15900	0.2
117.03456	2.1
119.05022	0.3
133.02965	4.2
134.03748	5.1
135.04520	53.6
136.04852	1.5
137.02419	1.0
141.54041	0.2
145.02942	7.2
147.04518	1.2
148.05302	7.4
149.05659	0.3
161.02431	11.5
162.02820	0.3
163.03986	0.5
171.10309	0.4
178.02733	0.3
179.03485	39.2
180.03804	1.4
191.03485	0.7
194.02200	0.3
209.11777	0.5
215.24567	0.2
286.96011	0.3
305.17410	0.3
307.19089	0.7
407.32864	0.4
453.33707	6.1
454.34006	0.8
521.50952	0.2
633.37891	100.0
634.38239	18.2
652.44543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.379
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26392	0.3
100.94268	0.3
117.03461	28.6
118.03819	1.0
119.05010	3.2
121.03013	0.4
127.51350	0.3
145.02946	100.0
146.03308	3.8
163.04019	3.4
171.65329	0.4
229.21774	0.4
437.30402	0.4
455.31561	0.7
467.31912	0.5
469.33218	0.7
633.37903	77.8
634.38306	17.7
634.46649	0.3
641.69519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.8
71.01424	0.5
78.95924	0.7
91.89718	0.3
98.20750	0.7
101.02422	0.7
110.08939	0.4
113.02448	0.6
117.03464	25.7
118.03826	1.1
119.05016	4.4
121.45620	0.3
135.08192	0.5
137.06120	0.3
145.02951	100.0
146.03314	2.9
152.99519	0.3
163.04070	0.6
171.10236	0.6
185.11736	0.5
191.05624	0.6
197.11790	0.6
209.11833	1.3
215.86798	0.3
227.12938	0.3
229.20499	0.3
289.18100	0.6
291.19492	0.4
305.17426	0.7
307.19077	1.3
309.20767	0.8
323.18564	0.8
325.20221	1.5
421.31378	0.4
437.48947	0.3
467.31570	0.7
471.34805	14.6
472.35046	1.1
487.34192	0.7
511.91064	0.4
513.32330	0.8
633.37939	54.9
634.38330	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	633.3794
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
59.01376	0.9
59.71958	0.3
61.98828	0.5
66.29399	0.3
66.73395	0.3
74.80228	0.3
76.17676	0.3
80.48889	0.3
87.14944	0.4
93.03436	0.6
97.06584	0.3
115.85535	0.3
117.03461	27.2
118.03788	0.8
118.60439	0.3
119.05025	0.9
121.02967	1.3
122.01721	0.3
123.04578	0.4
125.09688	0.3
132.02162	0.4
133.01929	0.7
133.02953	14.3
134.03793	1.7
135.04524	6.2
137.02428	1.1
137.06123	0.4
137.39969	0.4
145.02953	15.6
146.03311	0.6
161.02434	47.4
162.02776	2.0
163.04005	0.9
169.12279	0.3
171.10236	0.6
178.02690	0.6
179.03458	1.0
185.11777	0.9
191.05598	0.5
197.11821	0.7
209.11794	1.9
243.47884	0.3
279.19766	0.4
289.17981	0.8
291.19608	1.4
305.17484	2.1
307.19000	1.7
309.20688	2.9
323.18619	1.1
325.19919	0.7
341.19794	0.4
423.29959	0.4
453.33768	1.4
469.33258	0.4
471.34811	1.2
497.32819	0.6
515.40424	0.3
573.35675	0.4
589.38904	0.7
615.39124	0.6
633.37897	100.0
634.38232	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	633.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69138	0.2
56.91806	0.2
59.01349	0.2
61.98832	0.7
71.01374	0.3
71.09389	0.3
71.09713	0.3
78.95901	0.7
89.03985	0.3
95.46698	0.3
116.92900	0.3
117.03465	26.5
118.03801	0.7
119.05034	5.6
119.23444	0.2
121.02971	0.3
125.09742	0.3
145.02953	100.0
145.78198	0.2
146.03293	3.0
147.04477	0.3
152.99608	0.4
163.04028	2.1
171.10263	0.5
175.63885	0.3
185.11800	0.3
191.05574	0.3
204.28128	0.3
207.10182	0.3
209.11823	0.5
289.18085	0.7
307.19034	1.0
325.20102	0.3
421.30997	0.7
425.30713	0.3
439.32596	0.4
467.31583	0.5
469.33008	0.4
485.32709	0.9
487.34390	0.9
513.32263	0.8
571.29565	0.3
571.37781	1.2
633.37921	51.9
634.38324	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	633.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.5
61.00216	0.3
61.98824	0.7
71.01376	0.6
71.38951	0.3
78.67875	0.4
78.95906	0.6
85.31571	0.4
90.63320	0.5
98.19916	1.2
99.48061	0.3
101.02454	0.4
108.20224	0.4
114.77737	0.4
117.03463	27.8
118.03780	0.9
119.05024	12.8
121.02982	0.6
125.09737	0.4
145.02948	100.0
146.03273	4.0
163.04016	5.9
166.27423	0.3
171.10229	1.0
185.09929	0.3
185.11707	0.8
191.05684	0.5
197.11784	0.7
209.11812	1.0
228.97766	0.3
229.00246	0.4
289.18170	2.1
291.19464	0.5
305.17395	0.6
307.19141	2.5
309.20636	1.0
323.18649	0.4
325.20181	2.8
467.31509	0.6
469.33157	1.2
470.33707	0.4
471.34790	11.4
472.35172	1.1
513.32324	2.1
589.39063	0.7
633.37921	81.0
634.38257	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	633.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59176	0.5
59.01376	0.6
69.25428	1.1
69.25840	3.9
71.01388	0.6
76.03576	0.4
85.02952	0.6
95.01382	1.1
96.96033	1.1
98.19926	0.8
107.01386	1.5
111.00900	0.5
117.03477	0.6
123.00864	2.7
125.02451	5.6
139.00375	0.5
145.02934	1.7
147.04594	0.6
157.02914	1.0
159.04472	0.8
168.00665	0.7
169.01436	4.5
170.91513	0.6
173.02411	1.7
175.03963	2.0
185.02419	2.7
189.01913	0.8
190.02698	0.5
191.03557	0.8
191.05571	1.9
193.01411	2.3
201.01949	2.8
202.02402	0.8
203.03485	3.2
211.02484	1.6
213.02016	0.9
214.02650	0.7
219.03032	1.1
221.04417	0.6
229.01405	8.3
230.02083	0.7
231.02980	3.4
245.00870	1.8
247.02444	1.3
249.03995	3.4
257.00888	6.8
258.01556	2.4
273.00458	0.8
274.01068	0.7
275.01971	29.3
276.02307	1.8
283.99594	2.4
299.99094	2.6
300.99875	100.0
302.00201	5.5
313.05667	1.3
331.06488	1.2
369.71838	0.6
421.04028	3.7
437.07458	2.0
446.48660	0.5
463.05411	1.3
465.06763	1.8
481.05856	0.8
509.17355	0.5
514.32043	0.5
633.07281	36.7
634.07458	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	633.0728
Annotation	Corilagin
Peak:m/z	Relative Intensity
55.83512	0.7
66.94134	0.7
71.09435	1.3
71.40446	0.8
72.13306	0.7
85.02964	0.7
91.03136	0.9
95.01363	1.8
97.97486	0.7
107.01371	3.3
117.03385	0.8
123.00863	3.3
125.02451	12.1
128.84552	0.8
145.02940	1.6
159.04427	2.0
161.02437	1.2
164.01117	0.9
169.01385	8.1
173.02405	0.9
175.03996	2.7
177.01833	2.0
185.02412	3.6
187.03978	1.5
189.01897	1.2
191.03671	1.1
191.05591	6.6
201.01898	4.8
203.03506	9.0
207.97871	0.8
211.02516	0.9
213.01938	1.2
217.01480	1.1
219.02907	1.3
229.01421	8.0
231.02974	10.5
245.00818	3.1
247.02464	2.2
249.03999	23.0
257.00909	7.9
258.01584	3.2
273.00409	1.7
274.01068	1.8
275.01941	36.0
276.02362	1.6
283.99643	1.2
299.99142	2.8
300.99872	100.0
302.00308	5.0
331.06512	1.0
352.30286	0.8
353.08731	1.3
419.06348	1.1
463.04721	1.1
481.06400	1.5
518.06854	0.9
633.07288	62.8
634.07758	7.7
653.95868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91875	0.6
59.01367	0.8
59.77970	0.6
66.34686	0.7
69.17019	6.7
81.03434	0.8
85.02917	1.9
88.69516	0.6
95.01384	1.7
107.01382	2.3
113.02402	0.6
118.75203	0.7
119.05095	0.6
123.00871	4.8
125.02440	14.3
126.02692	0.8
131.05054	0.9
133.02965	1.4
133.64381	0.7
137.02318	0.8
145.02945	1.6
146.12726	0.7
147.04527	2.0
158.03767	0.9
159.04536	2.0
161.02483	1.3
163.04001	1.5
167.32460	0.6
169.01396	8.9
173.02408	1.6
175.04021	3.6
177.01825	1.7
185.02417	4.2
187.03976	1.9
189.01974	0.9
190.02579	1.1
191.03577	2.2
191.05620	9.0
201.01886	4.4
202.02699	0.9
203.03471	11.5
204.03911	0.9
205.01555	1.1
209.00925	0.7
211.02522	1.1
217.01387	0.8
219.02992	1.9
221.04587	0.8
229.01384	10.4
231.02977	13.6
245.00824	2.4
247.02409	1.5
249.04008	27.5
249.06642	1.4
250.04420	1.2
257.00861	9.8
258.01611	5.1
273.00400	1.0
274.01190	1.1
275.01947	45.4
276.02225	2.9
283.99631	1.4
299.99167	2.0
300.99866	100.0
302.00211	6.4
319.00311	0.8
331.06567	1.8
353.08975	0.8
419.06070	1.1
545.21045	0.8
633.07257	66.8
634.07617	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	633.0737
Annotation	Corilagin
Peak:m/z	Relative Intensity
57.91845	0.4
59.01380	0.5
64.78008	0.4
70.20384	0.4
71.01377	0.6
71.16637	0.7
71.73417	0.4
82.57254	0.4
95.01402	1.4
97.02943	0.7
101.02439	0.5
107.01370	2.6
111.00903	0.5
119.05031	0.7
123.00917	2.0
124.01609	0.4
125.02437	5.8
125.27242	0.3
131.05043	0.4
137.02365	0.6
140.01158	0.4
143.02422	0.4
145.02962	1.3
147.04506	0.6
149.02429	0.6
151.00423	0.4
157.02928	1.0
159.04561	0.8
161.02431	0.6
163.04016	0.6
166.99803	0.6
168.00720	0.9
169.01414	6.2
173.02437	1.3
174.57558	0.4
175.04021	1.3
177.02034	0.4
185.02399	2.7
187.04021	0.7
191.03618	0.8
191.05630	1.7
193.01379	2.5
201.01936	3.7
203.03539	2.5
211.02449	1.2
213.01918	0.8
217.01428	1.0
218.02094	0.4
219.02969	1.1
229.01451	6.9
230.01973	0.7
231.02910	2.8
245.00912	1.7
247.02513	0.7
249.03952	3.1
254.99451	0.7
257.00909	6.2
258.01691	2.0
259.02194	0.4
273.00360	1.3
274.01147	1.2
275.01968	20.8
276.02328	1.3
283.99622	2.2
299.99063	2.8
300.99872	100.0
302.00195	5.7
313.05582	0.6
331.06662	1.3
421.04141	6.5
463.05127	1.7
465.06772	2.8
470.49197	0.6
589.08551	0.5
615.06415	0.6
618.21069	0.4
633.07275	32.1
634.07788	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	632.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18724	1.2
60.61950	1.5
61.98831	100.0
62.77530	1.5
69.93214	7.1
78.55657	1.4
78.95906	3.0
196.46834	1.3
258.65344	1.3
273.31091	1.4
316.98056	1.6
333.25900	1.5
446.45169	1.7
462.14740	1.4
565.29633	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	631.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01377	1.5
61.25324	0.6
69.03446	0.7
71.01373	1.5
71.05026	1.4
78.95901	1.0
80.02670	2.6
81.03450	2.0
83.05019	6.3
84.02166	1.8
93.03454	0.7
95.05009	2.0
96.59885	0.6
97.02957	1.4
97.06597	4.4
99.08162	0.9
107.05012	7.0
109.06577	2.7
110.03731	0.8
111.08153	1.4
113.06158	0.8
113.06941	0.6
115.07616	0.7
120.05795	0.7
121.02946	1.5
121.06554	1.1
123.00868	0.8
123.04534	2.2
123.08147	2.8
125.02428	1.9
125.06063	2.3
125.09721	12.2
126.10058	0.6
127.07622	3.2
133.02937	0.9
135.04457	0.8
135.08165	6.6
139.07645	1.9
147.04477	0.7
151.11241	0.9
152.99583	0.7
153.09213	9.3
155.10875	0.6
161.09744	1.0
163.11279	8.1
165.12808	3.9
167.10815	0.7
171.10223	1.6
175.07536	0.8
176.08423	2.8
177.09229	1.2
178.10007	3.0
179.10739	1.1
181.12318	2.7
185.11800	10.5
187.09718	1.2
189.09225	1.1
189.12878	1.2
191.10759	1.7
191.14438	0.8
197.11818	14.5
207.10274	5.8
207.13918	0.6
209.11809	83.5
210.12154	3.8
211.13365	1.5
215.33670	0.6
225.11295	8.6
227.12830	2.1
229.18262	0.7
236.10504	1.9
238.12091	0.9
243.17467	2.0
245.15430	1.6
245.19064	1.5
253.10747	1.5
261.18616	4.1
263.16541	0.9
273.15118	0.7
277.17892	1.4
279.19635	2.3
287.16504	9.8
288.16989	0.7
289.18051	5.7
305.17557	100.0
306.17926	7.4
307.15579	1.2
307.19128	16.4
308.19470	1.6
309.20676	0.7
317.17471	0.7
323.18610	48.2
324.18951	3.6
325.20151	13.4
392.22067	0.7
415.24960	1.9
425.26807	1.4
443.28128	1.8
453.30457	0.8
461.29248	1.0
499.30704	2.6
517.31714	1.6
551.37238	1.3
569.37286	0.6
577.35864	0.9
595.36523	6.6
613.37292	16.5
614.37244	2.9
631.38434	10.9
632.38708	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
57.03441	2.2
59.01376	3.7
61.88757	0.7
68.99843	0.8
69.03428	1.3
71.01371	0.8
71.05016	1.4
74.51788	0.6
80.02663	2.2
81.03457	3.4
83.05022	8.8
85.02950	0.7
93.03469	1.4
95.05013	2.8
96.96005	0.8
97.02942	4.8
97.06604	3.4
99.04538	1.6
99.67848	0.6
106.04234	1.5
107.05016	6.1
108.02206	1.1
109.02965	0.9
109.06598	4.2
110.03733	2.4
111.08074	0.8
112.05281	1.0
113.06087	0.9
113.09793	0.6
115.07647	0.7
117.03461	0.8
121.02955	1.7
121.06553	1.1
122.03731	1.5
123.04502	3.3
123.08174	2.4
125.02410	1.7
125.06070	4.4
125.09722	11.4
127.07652	1.9
133.02971	0.7
134.03755	0.7
135.04536	1.8
135.08151	9.0
137.06075	1.0
137.09735	3.1
141.05562	2.8
141.09155	0.7
142.02650	1.0
145.02975	4.5
147.04507	1.0
149.06094	1.7
151.11259	1.5
153.09215	16.7
160.08899	0.6
161.09714	1.9
162.10483	1.0
163.07605	0.8
163.11295	13.3
165.09198	0.7
165.12857	4.2
168.56261	0.6
171.10263	14.0
176.08438	3.5
177.09105	1.0
177.12843	1.8
178.09996	3.1
179.10776	1.7
181.12383	4.0
183.10272	0.7
183.13936	0.9
185.11821	7.7
186.12160	0.7
187.09702	1.0
189.09245	1.0
189.12889	0.8
191.05832	0.8
191.10733	4.7
191.14417	8.2
193.12292	0.9
197.11832	13.2
207.10243	12.3
209.11821	90.3
210.12181	4.7
217.12312	1.3
217.15884	1.1
225.11316	11.8
225.13306	1.0
226.11923	0.8
227.12785	1.3
233.19191	0.9
235.13292	0.7
236.10562	3.6
237.11310	1.3
238.11890	0.8
243.17558	2.2
245.15413	1.2
245.19101	20.1
245.21628	1.1
246.19444	1.0
247.16937	1.0
253.10771	1.8
261.18619	4.7
263.16412	0.8
263.20157	1.3
269.15430	1.3
271.17130	2.3
277.17999	1.4
279.19696	2.3
287.16531	9.0
288.16940	0.7
289.18091	69.8
290.18393	5.1
291.19534	0.8
305.17575	100.0
306.17899	7.2
307.19135	78.6
308.19440	5.7
309.20627	1.1
323.18619	25.2
324.18900	2.2
325.20175	29.6
326.20514	1.4
333.20761	0.8
394.85544	0.7
395.69836	0.7
423.25418	1.0
441.26520	1.3
577.34955	3.1
595.36420	2.1
596.36945	0.8
613.37604	2.3
631.36810	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	630.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25262	0.4
58.02971	5.5
59.01358	0.7
61.98829	4.4
66.03468	0.6
66.87309	0.4
69.03460	0.4
70.02968	0.7
71.01365	0.5
71.53899	0.6
72.00901	0.4
74.02468	11.5
78.95879	0.5
82.02969	1.4
84.04536	0.7
85.02943	0.7
86.02478	4.1
86.06094	0.7
86.99107	0.9
87.00880	0.4
87.05626	2.7
90.00189	1.8
93.03446	0.9
96.04543	0.6
96.96007	1.3
96.96976	0.5
97.04059	1.2
99.05639	10.4
101.07184	1.5
102.05589	1.8
109.04087	1.7
109.07681	0.4
111.05628	0.8
112.04039	1.2
113.03555	0.8
114.05842	0.4
116.01759	0.7
123.05625	1.4
124.04025	0.5
125.03557	1.0
126.01885	0.4
126.44022	0.3
127.05151	2.0
128.03535	29.0
129.99709	0.8
131.04645	0.4
133.02991	0.4
135.04539	1.0
135.05626	3.2
137.07181	0.9
139.05135	0.4
141.06667	2.8
143.04611	43.6
144.04979	0.6
145.06166	1.5
146.04578	3.4
149.07159	0.4
153.06677	3.0
155.08205	0.7
160.00728	11.3
161.02415	0.4
166.09824	1.0
167.04620	2.7
167.08247	1.6
171.04198	0.6
171.07715	0.8
173.04515	0.6
177.03372	3.8
179.03278	0.7
179.04639	8.0
181.06178	0.9
183.07738	0.4
185.05577	1.8
191.05583	5.4
192.05902	0.9
192.07710	0.5
197.05656	1.1
198.08870	0.7
198.90923	0.4
201.11325	0.7
203.88550	0.5
209.11778	1.1
210.08841	8.3
242.07841	1.1
254.07788	10.4
272.08865	15.6
288.06549	7.2
306.07626	100.0
307.07904	5.7
337.95200	0.4
337.99423	0.4
438.12814	0.5
456.48212	0.3
516.12762	1.0
555.60779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09961	0.5
55.32228	0.5
57.03440	1.9
59.01377	1.9
59.68403	0.5
61.98822	1.4
67.01878	0.6
68.85571	0.5
71.01410	0.6
78.49908	0.7
78.95911	0.8
80.02687	2.8
81.03454	2.9
83.05031	8.8
84.02172	0.7
85.02968	0.5
93.03416	0.8
95.05025	2.3
97.02962	1.7
97.06586	3.5
99.04480	0.7
101.61742	0.6
106.04235	0.6
107.05023	9.5
108.02154	1.3
109.06598	3.3
110.03735	1.0
111.08184	0.7
111.83556	0.6
115.07648	0.7
121.02933	1.8
122.03744	0.7
123.00864	0.9
123.04491	3.0
123.08188	3.1
125.02421	2.4
125.06088	2.9
125.09718	12.6
133.82838	0.5
135.04523	1.9
135.08148	8.1
136.08548	0.5
137.06100	1.3
142.02806	0.6
142.68552	0.5
145.02959	1.8
145.16293	0.6
147.04549	1.5
149.06035	1.0
151.07629	1.2
151.11266	0.8
152.99550	0.8
153.09204	11.7
161.06050	1.2
161.09750	1.1
163.11275	7.9
165.12837	2.3
167.10799	0.6
169.08772	0.6
171.10236	0.6
173.06047	0.8
176.08383	3.2
177.05563	1.8
177.09203	1.5
178.10039	2.6
179.10756	2.0
181.12346	3.0
185.11810	8.9
187.09724	1.4
189.12863	0.8
190.09998	0.7
191.05573	1.2
191.10771	2.7
193.12273	0.7
197.11818	11.7
207.10242	8.2
209.11815	84.3
210.12169	2.6
211.13353	1.0
217.12236	1.0
225.11301	8.2
226.11674	0.6
227.12761	1.0
231.13983	0.8
232.60916	0.6
235.09659	0.7
235.13319	1.0
236.10526	2.9
243.17627	2.7
245.15421	1.3
245.19055	0.7
251.12889	1.3
253.10831	1.6
259.17154	0.8
261.18549	5.5
263.16391	1.5
269.15414	1.1
277.18073	2.4
279.19598	3.0
287.16455	9.9
288.16788	1.1
289.15021	0.6
289.18143	1.3
303.15961	1.8
305.17557	100.0
306.17856	7.8
307.19095	1.3
321.17090	3.6
323.18628	40.9
324.19037	2.5
327.19327	1.3
331.19229	0.7
343.18750	0.7
345.20648	1.0
395.22217	1.1
403.24609	1.1
413.23303	2.6
423.25500	2.0
425.23315	0.9
431.24414	2.1
441.26361	2.1
497.29205	3.7
498.29257	0.7
501.28732	1.3
515.30164	1.8
575.34180	0.8
593.34778	6.9
594.35022	0.8
611.35858	13.4
612.36383	2.0
629.37018	8.6
630.37079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
60.99298	1.5
67.01881	1.1
69.03455	21.3
71.01389	1.6
79.01895	1.1
84.24820	0.5
89.02424	2.4
93.03467	0.8
95.05013	2.8
96.95972	0.4
97.02946	100.0
98.03286	2.6
101.02439	0.9
105.03471	2.7
108.02164	1.8
113.02460	1.5
119.03477	0.8
121.02969	4.6
123.04521	46.8
124.04833	1.4
149.02443	1.1
149.06067	3.3
167.07127	32.4
168.07468	1.2
179.05649	2.6
191.05611	3.0
199.09734	4.5
202.10857	0.5
202.22458	0.5
243.08708	0.8
356.73245	0.5
493.45993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08491	1.9
59.01375	22.5
61.98828	29.8
63.24427	2.2
71.01382	3.9
71.29494	4.3
78.95916	5.2
80.65292	1.9
83.04991	2.3
85.02958	3.7
86.01817	1.8
89.02407	3.9
92.31394	1.9
92.62672	1.7
93.03439	3.5
96.96010	5.2
96.96936	2.7
99.72682	2.5
101.02446	3.2
110.06098	6.8
116.75469	2.2
120.08209	3.2
121.05311	2.8
122.06119	27.8
123.04498	3.1
123.08147	1.9
130.06609	2.0
134.06114	9.6
135.04530	3.6
136.05298	3.8
151.00424	2.4
151.03998	3.3
151.07599	11.0
152.07976	2.2
160.06375	9.0
161.04807	4.3
165.01907	4.0
166.02693	3.2
171.10332	3.0
173.04572	2.7
174.05582	7.7
179.03484	21.7
180.04066	1.9
181.04997	3.7
183.10309	2.6
185.11810	8.3
191.05609	6.8
194.05833	13.9
195.06534	5.5
197.11830	3.2
201.11293	6.5
203.05899	3.7
207.10236	4.7
209.08194	17.0
209.11743	10.0
213.10342	40.9
225.07820	2.7
225.10179	2.7
226.11090	2.7
239.11853	20.6
241.13460	22.2
251.11806	6.3
253.09454	3.1
271.10852	2.3
283.10733	2.2
285.12442	100.0
286.12677	3.8
293.12860	6.6
301.11853	6.8
311.10532	3.0
329.15518	2.6
343.13107	8.9
344.17688	2.5
345.18768	2.1
356.13864	10.8
368.17780	2.7
369.14484	2.3
370.15622	17.1
371.16141	5.7
372.16974	6.5
373.13544	2.2
384.13245	4.9
384.17609	2.5
397.14252	3.5
398.14917	15.5
401.15787	2.2
403.15085	5.4
412.16156	9.7
413.17221	6.5
457.15610	2.3
481.23297	2.9
485.25336	2.6
493.22729	4.8
511.23102	13.2
512.23529	2.9
523.23517	5.5
535.23401	30.5
536.23822	3.0
553.24579	65.5
554.24957	9.6
556.22919	4.7
579.22314	9.1
597.23517	71.2
598.23639	12.6
611.24817	4.9
629.25446	33.6
629.39874	18.8
630.26044	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45332	0.7
59.01376	1.9
60.99303	18.4
61.98833	1.2
65.00328	0.8
69.03438	2.9
71.01376	1.1
73.95364	0.7
83.01389	1.1
85.02901	0.8
88.98802	100.0
89.02422	0.9
93.03509	0.9
96.95970	1.1
98.81902	0.6
101.02415	0.7
107.01389	1.2
113.02473	0.9
115.27862	0.6
121.06586	1.2
125.02400	1.8
133.02957	7.4
134.03703	1.2
135.04517	18.8
136.04779	0.8
146.13652	0.6
151.00391	4.1
151.07637	1.5
152.01094	1.0
161.02440	41.6
162.02783	1.4
169.01471	0.8
178.99867	2.8
179.03479	16.8
179.04980	1.3
191.05524	2.1
241.05009	0.7
259.06134	0.7
271.02478	1.8
284.80325	0.7
285.03918	2.0
300.02759	1.0
301.03360	0.9
313.03339	0.8
314.04376	3.0
331.11807	2.2
346.03372	2.6
375.13010	6.6
437.08569	7.8
463.08746	0.8
537.16144	20.0
538.16412	2.5
583.14569	1.4
627.12903	3.5
627.27258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	3.0
59.01377	100.0
60.00208	2.0
61.98838	9.1
65.54703	1.5
69.25371	3.2
69.25777	15.2
71.01381	63.4
72.01716	1.7
72.99318	2.4
73.68795	1.9
76.77432	1.6
85.02945	11.0
86.03344	1.8
87.00877	3.0
89.02444	85.8
90.82623	1.8
93.03438	2.5
94.33804	1.8
95.01382	3.8
101.02431	31.1
107.01427	3.0
113.02457	25.0
119.03496	32.0
125.02472	2.9
131.03493	2.9
135.04478	2.1
143.03471	5.7
147.04471	1.9
149.04568	2.3
151.00352	13.3
152.01135	3.7
161.02489	2.6
161.04509	8.8
178.99838	6.3
179.03401	1.9
179.04054	3.0
179.05597	37.9
191.03725	3.5
191.05598	9.3
192.00607	3.0
271.02481	2.3
285.03928	2.5
437.08813	20.1
438.08878	3.7
461.11249	2.4
583.14496	9.7
627.13287	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	629.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49913	0.7
51.11264	0.6
57.01993	0.7
59.01371	2.4
60.99301	0.8
63.02388	2.9
65.00309	4.5
69.22469	6.3
69.80160	0.7
71.01381	6.8
72.99287	0.5
83.01381	3.3
85.02951	8.0
85.92460	0.6
87.00889	0.9
88.98791	1.9
90.33489	0.6
93.03448	1.8
95.01369	2.5
96.96024	0.7
99.00873	1.4
103.00375	0.6
107.01384	10.9
109.02939	4.4
111.00838	1.1
113.02449	12.0
115.00386	3.4
119.01389	0.7
121.02932	7.3
123.00840	0.9
124.01720	0.7
125.02441	22.4
125.04394	0.8
135.04517	2.3
139.00406	1.0
147.10715	0.6
149.02393	1.4
151.00357	38.0
152.00691	2.0
159.04483	1.2
161.02434	1.5
163.00383	4.1
167.04950	0.8
168.00581	1.5
169.01418	28.7
171.04625	0.7
173.04536	1.0
175.02472	8.0
177.05588	0.9
178.90649	0.6
178.99863	16.2
179.03407	2.0
180.00082	1.1
183.04463	1.0
185.06152	0.8
187.03961	1.6
191.05615	8.1
195.93465	0.7
199.04085	0.8
201.05566	1.9
203.03409	1.0
207.02988	0.7
209.00694	0.6
211.02315	1.0
211.04010	2.0
227.03413	2.1
229.04984	1.9
235.02397	0.7
239.22357	0.7
243.02969	1.2
245.04524	2.8
249.11102	0.7
255.02953	6.2
257.04160	0.9
267.06168	0.8
271.02399	2.7
272.02841	1.3
273.03882	2.7
283.02441	2.8
294.91251	0.7
300.02750	3.8
301.03491	100.0
302.03799	9.8
303.04117	2.1
327.03546	35.8
328.03964	2.2
412.00177	0.7
447.08960	1.3
448.09570	2.6
449.09601	2.9
465.07101	1.8
467.15417	1.2
477.06708	54.7
478.07144	4.9
519.39197	0.6
528.53760	0.7
551.11774	1.3
629.07288	11.0
630.07825	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	627.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27971	0.6
63.02402	1.4
65.00333	2.2
70.91083	2.1
80.39540	0.7
81.63956	0.7
83.01414	1.6
87.22183	0.7
93.03464	0.7
107.01391	6.8
109.02949	2.2
121.02941	5.0
128.03050	0.7
135.04520	8.4
137.02454	0.7
147.00948	0.6
148.01666	1.1
151.00362	26.3
161.02399	1.5
163.00381	4.0
164.01013	0.8
169.01395	1.1
175.04057	0.7
178.99840	13.2
179.03470	2.4
183.39153	0.7
187.04028	1.0
191.05652	0.7
193.01355	0.7
203.03305	0.8
211.03995	1.7
225.23268	0.7
226.02606	0.8
227.03510	3.3
229.04970	1.2
243.02977	6.1
244.03485	0.9
245.04539	2.2
245.50438	0.6
254.02235	1.4
255.02977	21.3
256.03317	1.4
271.02457	36.4
271.83896	0.8
272.02914	2.8
273.03928	1.9
283.02463	1.9
299.02011	4.5
300.02722	81.5
301.03491	93.8
302.03931	5.1
313.03543	2.5
345.71158	0.6
437.08752	1.5
447.09274	100.0
448.09631	7.6
463.06656	17.6
464.06970	1.2
481.07697	18.9
482.07660	1.5
609.11859	0.9
627.13477	21.4
628.13934	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39992	0.9
57.91686	1.0
58.66488	1.1
59.01371	1.1
61.98832	3.1
63.02375	3.5
63.35815	0.9
65.00315	8.4
71.53133	1.3
78.95895	8.0
83.01381	4.4
85.02972	2.5
93.03448	2.9
96.96010	15.0
96.96948	10.6
106.47713	1.0
107.01383	18.2
109.02932	3.0
119.05009	1.5
121.02946	4.7
123.04512	2.5
124.01645	3.6
125.02446	6.2
133.02934	1.0
133.90083	1.0
135.04521	10.4
137.02412	1.9
147.04567	1.4
149.52850	1.1
151.00363	59.1
152.01161	8.3
153.81766	1.0
161.02419	4.1
162.03218	2.4
163.00366	7.1
163.03949	1.9
163.07547	2.2
164.01094	2.8
165.01923	1.3
169.01407	3.3
173.04578	1.3
175.03940	1.9
178.98274	1.4
178.99852	28.2
179.03444	2.4
180.00212	1.2
185.05948	1.1
187.04036	1.2
189.01936	3.6
190.99786	2.0
191.03470	5.6
191.05563	10.4
192.00586	4.1
193.01280	2.6
201.05505	1.1
216.04327	1.2
219.02934	1.1
222.89091	1.3
227.03629	1.3
229.04996	1.8
240.04088	1.5
241.05107	5.2
242.05676	1.3
243.02954	2.0
255.02997	1.4
257.04495	4.4
257.08142	1.7
269.04596	7.1
271.02460	12.5
272.03082	1.1
285.04050	16.6
285.07205	2.0
286.04691	3.5
297.03946	2.9
299.01968	3.8
300.02747	3.5
301.03632	1.4
301.07153	1.7
313.03461	6.2
314.04300	35.1
315.04956	4.1
325.06979	1.1
326.04211	2.2
327.04965	2.7
341.02847	2.6
346.03275	41.4
347.03702	2.5
385.05466	1.3
420.08627	1.8
435.10892	1.4
436.07968	9.3
437.08728	100.0
438.08942	8.3
447.09406	1.8
461.11014	1.6
481.07724	2.1
487.08279	1.3
505.09656	7.1
517.10352	1.2
567.11084	1.1
583.14557	25.9
584.14630	2.3
627.13501	52.5
627.23981	3.2
628.13470	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	626.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10097	0.8
53.57209	0.7
59.01373	2.8
61.04833	0.6
61.98831	100.0
69.42909	5.9
71.01385	2.6
73.02922	1.1
84.16475	0.7
85.02941	1.7
98.20667	1.6
98.64811	0.7
101.02387	1.1
113.02444	1.0
117.03489	1.4
121.02953	0.8
132.02153	1.8
133.02956	28.2
134.03728	0.9
135.04526	18.8
151.66298	0.8
161.02440	89.8
162.02771	2.7
177.05685	0.9
178.99910	0.9
179.03491	12.7
183.13824	1.0
191.05544	4.5
251.48851	0.7
285.00946	0.7
301.03436	1.2
336.19751	0.7
563.17676	93.6
564.18018	11.5
626.11938	1.8
626.27545	2.3
650.51428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.39
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53907	0.8
61.98828	100.0
71.51444	1.1
71.51842	0.9
78.95918	1.0
83.13191	0.8
116.63829	0.8
253.51035	0.9
315.09641	0.9
463.13675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82279	0.8
61.98830	100.0
70.35262	2.9
90.66740	0.7
117.22370	0.9
155.52652	0.8
165.64738	0.9
187.96487	0.8
315.34332	1.0
505.16620	0.9
614.30402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01368	2.1
61.98829	6.9
65.66465	0.5
67.01886	0.6
69.03459	1.1
70.54370	1.5
71.01380	4.9
73.02942	2.0
75.00879	0.5
78.95906	1.5
80.96503	0.7
81.03458	1.9
83.01388	1.3
85.02950	3.6
87.00895	0.7
88.98823	0.6
89.02446	1.2
93.03472	1.5
94.97995	0.5
95.01389	3.0
96.96004	1.0
97.02973	0.6
99.00874	0.9
101.02438	2.7
102.57999	0.5
103.65932	0.5
108.02172	66.0
109.02963	36.8
110.03281	0.7
113.02466	1.8
120.99651	1.0
121.02946	1.7
123.00914	1.8
123.04561	0.9
125.02413	0.6
133.02939	0.9
135.04530	2.1
137.02463	2.8
146.02557	0.5
151.00381	1.5
151.03995	1.1
152.01147	56.5
152.99756	0.7
153.01953	19.0
161.02461	1.4
163.04022	1.5
165.01872	1.3
171.10268	1.7
177.01790	0.5
191.05603	6.2
209.11835	2.0
211.13379	2.5
221.11719	0.7
227.12730	0.8
229.14561	2.7
271.02438	1.0
276.22800	0.6
299.01978	0.8
300.02786	1.5
301.03500	1.5
313.03748	0.6
327.21774	5.2
328.22165	0.6
329.13937	1.1
447.07407	1.8
565.32288	0.7
625.28632	100.0
626.28864	14.9
626.39050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37949	0.5
53.97925	0.5
55.01867	1.0
57.81628	0.4
58.00593	0.5
58.23473	0.4
59.01108	0.7
59.01378	9.2
61.98830	14.0
69.03452	0.9
71.01376	10.8
71.54449	0.5
72.99311	2.3
73.02942	4.6
78.95909	1.1
79.95728	0.6
80.96515	3.0
81.03470	0.7
83.01379	2.2
85.02953	4.2
87.00880	3.0
89.02454	3.4
91.66192	0.4
93.03468	1.5
94.98069	0.9
95.01398	0.5
96.96014	0.7
97.02950	1.6
99.00885	2.2
101.02433	4.3
107.01383	0.9
108.02149	2.6
108.35133	0.5
109.02972	2.5
111.00864	1.2
113.02461	2.7
115.04007	0.9
119.04995	0.5
121.02937	0.7
123.04539	0.9
124.01660	1.1
125.02419	2.5
127.11301	2.0
131.03423	0.7
133.02971	1.7
135.04539	3.8
137.02448	1.1
150.03227	0.6
151.00371	2.0
152.01109	1.5
153.01938	0.7
153.05580	0.7
157.12352	1.2
159.04712	0.4
161.02435	3.6
165.77989	0.5
169.01407	1.4
171.10277	0.8
178.99850	1.1
179.03505	2.2
188.03253	0.5
191.05585	8.3
192.05960	0.9
196.55431	0.5
198.57486	0.4
209.11835	0.5
225.00682	0.7
226.67905	0.5
255.03018	2.0
271.02457	4.3
295.22696	0.8
300.02655	8.3
301.03445	6.1
313.23846	3.6
323.07846	0.5
329.23395	1.5
331.24878	16.8
332.25058	1.0
339.45709	0.5
362.49493	0.5
373.26093	0.7
463.08893	4.0
475.29132	4.4
493.30139	21.0
494.30322	1.2
537.10168	0.6
569.69696	0.5
607.33984	1.0
625.13141	5.2
625.25897	4.8
625.34436	100.0
626.12274	1.1
626.25055	1.1
626.34723	12.0
645.21393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
61.98824	4.1
64.06562	0.7
69.03446	0.7
71.01387	3.5
75.16142	0.7
78.95507	0.9
78.95900	5.1
81.03451	2.3
83.01356	0.8
85.02941	3.2
92.80420	0.6
93.03465	1.4
95.01400	3.4
96.95995	1.6
96.96964	1.0
101.02440	1.9
108.02172	50.9
109.02956	33.4
110.03307	1.0
111.08125	1.0
113.02428	1.1
114.00694	0.7
121.02991	1.2
123.00864	2.1
123.04491	0.7
125.02460	1.0
135.04500	0.9
147.88126	0.7
152.01151	52.3
152.99609	2.9
153.01947	18.2
163.04018	1.9
164.04799	5.5
169.12355	1.2
177.02010	0.7
178.06320	1.1
179.07112	5.8
191.03995	0.6
191.05545	3.7
193.08675	1.8
197.11829	9.6
199.13368	1.5
209.11794	4.4
211.13376	2.5
309.20663	0.8
315.01810	0.8
315.06161	0.8
327.21774	5.5
485.68826	0.7
575.27148	0.8
593.27155	1.1
625.28619	100.0
626.29004	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	625.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01698	0.7
61.98823	5.1
69.03458	0.7
71.01389	3.4
71.54546	0.8
73.02937	0.7
78.95893	4.2
80.96545	0.9
83.01369	0.6
83.05035	0.7
85.02956	1.9
87.00903	0.8
89.02440	1.3
93.03450	1.2
95.01376	0.9
95.05030	0.6
96.96024	0.6
96.96959	1.0
97.02936	0.9
98.20584	0.5
99.00932	0.6
101.02460	2.0
101.30627	0.5
107.05028	0.7
108.02173	3.9
109.02969	2.1
113.02464	1.4
123.00852	1.1
123.04510	4.2
125.02436	14.0
135.04546	1.5
137.02467	1.2
152.01144	3.6
152.99590	2.3
153.01962	3.2
153.05565	4.3
153.12930	0.6
160.75041	0.6
161.02460	0.7
161.04547	0.5
161.09712	1.1
163.03990	5.0
169.01431	11.8
169.02831	0.8
169.12350	0.6
170.01686	0.5
171.10237	1.3
178.06351	6.2
179.03464	0.8
188.40547	0.4
191.05568	2.8
193.08681	11.8
193.10344	0.7
197.11800	6.5
198.12230	0.6
209.11810	10.0
210.12384	0.7
211.13437	1.6
235.13429	1.2
241.01195	0.6
245.31859	0.5
248.79036	0.5
267.19757	0.8
293.17560	0.8
299.02072	0.6
327.21765	1.0
329.23325	0.7
389.23517	1.0
403.17865	1.2
581.26147	1.9
582.26355	0.7
593.27588	0.8
607.31677	0.7
625.27185	10.4
625.37341	1.5
626.26227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.1
61.98828	4.8
69.03470	0.6
71.01389	2.0
73.02948	0.5
78.95905	4.6
81.03489	0.5
83.05035	0.8
85.02968	1.6
87.00877	0.7
88.98861	0.6
89.02473	0.8
96.96017	0.9
98.20737	1.1
101.02441	1.1
105.67184	0.6
107.05042	0.7
108.02185	4.6
109.02956	3.6
113.02441	1.3
123.04540	2.9
124.01679	0.9
125.02442	12.7
135.04524	2.6
137.02405	0.6
139.33170	0.6
152.01161	4.2
152.99612	2.1
153.01967	2.5
153.05551	3.6
161.02472	0.9
161.04593	0.6
163.04015	5.1
168.00629	0.5
169.01421	9.6
169.52396	0.6
171.10347	0.7
173.44136	0.6
178.06328	5.4
178.98692	0.6
179.03513	1.0
186.72214	0.6
187.11388	0.8
191.05611	2.4
193.08682	13.6
194.09047	0.6
197.11850	2.8
205.12195	0.5
209.11827	4.5
211.13435	1.5
230.29362	0.7
267.19498	0.8
279.02740	0.6
293.17435	0.6
327.22028	0.8
332.21094	0.5
371.22092	0.6
403.17654	1.2
409.42325	0.5
593.27368	1.0
607.25018	1.0
619.77368	0.5
625.27863	11.9
626.28058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19930	0.5
59.01388	3.2
61.98825	4.2
71.01384	2.8
73.02957	0.7
75.00866	0.7
78.95887	3.8
85.02946	1.1
87.00869	0.9
89.02444	2.8
89.07254	0.6
93.03463	1.6
96.96014	7.2
96.96972	0.6
99.00894	1.4
101.02422	1.3
106.04253	1.0
106.32045	0.7
108.02164	0.7
109.02971	1.8
111.12704	0.6
120.07285	0.6
120.99624	1.8
121.02988	3.0
123.04504	0.6
125.02459	0.7
133.02954	22.0
134.03746	26.0
135.04524	29.1
136.04866	1.0
137.02440	28.4
138.02757	0.8
139.03990	8.1
150.03189	3.3
152.99530	1.6
161.02438	22.3
162.02765	1.2
163.04018	1.2
165.01955	0.8
171.10281	0.6
175.13783	0.5
177.01888	0.6
178.02704	11.8
179.03487	18.0
180.03894	0.7
188.08438	0.9
191.05595	6.0
192.05840	0.6
209.11868	1.1
209.82759	0.7
253.19940	0.6
271.16965	2.4
287.16449	0.8
293.09311	0.6
313.14459	1.5
315.15976	20.3
316.16418	1.1
493.20328	0.6
625.24945	100.0
626.25293	10.9
640.63721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.25
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01383	5.3
61.98830	10.5
71.01388	4.4
71.53897	1.1
72.99294	1.8
73.02945	1.2
75.00897	0.8
78.95905	5.5
80.96522	0.9
83.04990	0.7
85.02950	2.8
87.00871	2.0
88.98815	1.7
89.02447	3.3
93.03444	2.0
96.96022	1.2
96.96960	0.8
99.04528	0.7
101.02425	2.3
106.04245	1.1
109.02936	2.6
111.00852	0.8
113.02480	1.1
120.99624	1.2
121.02930	2.4
123.04539	1.5
127.57603	0.6
131.03526	3.5
133.02957	17.8
134.03751	20.2
135.04527	25.1
137.02437	21.6
139.03999	6.5
149.02451	1.0
150.03197	1.9
151.00348	1.5
152.01135	0.8
152.99577	2.3
153.01923	1.3
161.02432	22.2
162.02783	0.7
163.04010	1.0
166.02699	0.8
173.04524	0.9
178.02693	6.8
179.01901	0.8
179.03494	15.3
181.05038	0.8
191.03990	1.1
191.05611	14.0
199.03992	0.9
209.11751	1.8
236.13780	0.8
241.01265	0.8
243.02934	1.1
269.15631	0.8
270.01657	1.6
271.02438	2.8
287.16397	0.8
299.01999	7.6
300.02542	2.7
301.03485	1.4
313.14291	0.7
315.15988	1.0
322.34241	0.8
324.24570	0.7
403.17603	1.5
445.07785	4.5
446.08359	1.1
447.09100	0.9
493.21286	1.3
530.12762	0.7
581.25714	1.0
625.24939	100.0
626.25281	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	13.1
61.98826	24.2
65.00333	1.5
65.28262	1.3
71.01375	2.4
78.95886	1.9
85.02938	3.7
87.00870	2.2
88.98822	2.2
89.02456	1.4
91.24896	1.6
93.03464	10.2
96.96013	4.8
98.95571	1.6
101.02440	1.6
102.88390	1.3
104.02692	1.4
109.02947	8.4
119.05028	1.7
121.02945	5.4
125.02429	3.6
133.02954	4.6
135.00887	1.6
135.04538	10.6
137.02486	3.2
145.02975	2.5
147.00908	2.1
149.02422	4.9
151.00345	2.5
153.01956	1.5
159.00850	6.0
161.02435	11.7
165.05502	3.2
167.03534	1.5
169.01486	3.0
173.77562	1.3
175.00314	8.2
176.01172	2.2
177.01942	6.1
179.03505	10.0
187.00320	2.9
187.04063	1.9
188.01128	1.9
189.01830	2.2
191.05597	23.0
202.99860	38.4
204.00272	3.0
211.04010	3.6
215.98747	2.1
216.00648	13.5
217.01346	2.8
225.05525	1.8
227.03482	2.4
230.99445	2.1
235.02431	14.6
238.63002	1.7
239.03503	2.3
243.03070	1.8
244.00256	1.7
247.02417	2.3
251.03494	2.0
253.04915	2.2
255.03052	5.5
263.01910	4.5
270.01633	2.0
271.02527	4.6
279.03018	4.6
280.03656	1.7
281.04282	2.9
282.01721	1.7
283.02420	8.8
295.02573	5.7
296.03052	1.7
297.04053	9.0
300.02875	2.3
301.03513	1.5
307.02545	15.6
308.03128	2.5
309.04056	3.9
311.01904	1.9
323.01944	11.5
324.02719	6.4
325.03503	9.2
352.02280	11.8
353.02994	37.6
354.03125	2.5
373.16415	1.5
377.06555	2.2
384.04858	36.9
385.05560	67.0
386.05991	5.0
403.13034	2.0
403.17999	7.5
405.06100	3.7
478.08990	17.4
479.09976	7.0
530.74194	1.6
531.11401	100.0
532.11786	9.6
549.09973	1.7
625.15656	47.8
625.25348	7.3
626.16150	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	625.1408
Annotation	Herbacetin 8-gentiobioside
Peak:m/z	Relative Intensity
52.97941	0.6
55.79051	0.6
59.01369	2.6
61.98812	0.9
65.00318	1.3
71.01373	2.5
71.40641	0.7
71.53947	1.0
72.99310	0.9
85.02954	1.4
86.31384	0.6
87.00880	0.9
89.02429	3.1
93.03419	0.9
96.73010	0.6
96.96016	5.2
96.96969	0.7
97.02935	0.8
98.95595	3.0
101.02426	1.3
107.01379	2.9
108.02167	1.4
109.02971	1.2
111.00872	1.4
113.02429	0.8
119.03492	0.6
121.02971	1.2
125.02403	1.1
131.03546	1.4
133.02892	0.8
135.04504	1.0
148.01678	1.4
149.04553	1.4
151.00388	9.5
152.00854	0.6
161.02441	2.3
163.00386	1.8
178.99889	7.2
179.03491	1.2
180.44383	0.7
185.35558	0.6
191.05592	7.7
193.01317	0.8
194.51944	0.6
199.03906	1.1
200.04854	0.8
226.02728	1.3
227.03503	2.6
227.12906	0.7
243.02995	9.5
254.02240	1.5
255.02977	25.8
256.03354	1.3
268.84760	0.7
271.02466	64.9
272.02869	3.7
273.04007	0.9
299.02029	3.8
299.05103	0.7
300.02725	100.0
301.03391	20.9
302.03751	1.6
325.07101	0.8
343.04538	0.8
383.68915	0.8
409.91415	0.7
445.13416	1.5
463.08804	7.0
463.14456	0.8
625.14075	64.5
626.14374	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	625.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	12.2
61.98828	35.1
71.01380	5.6
71.53439	1.6
72.99290	1.7
74.89098	1.5
78.95896	2.4
82.80151	1.3
85.02952	6.2
87.00871	2.1
88.98795	2.4
89.02414	2.4
93.03455	9.5
96.96007	6.0
98.48808	1.4
99.00873	1.8
101.02435	3.7
102.98620	1.9
109.02962	9.6
121.02929	8.8
123.04469	2.0
125.02448	4.8
133.02942	6.3
134.03773	1.6
135.04509	15.8
137.02435	3.6
145.02945	2.3
148.01663	3.2
149.02432	4.5
150.03229	3.9
151.00262	3.3
151.03989	1.8
152.99492	1.8
159.00827	6.3
161.02419	15.8
161.06000	2.4
161.09634	1.9
163.03969	2.8
165.05519	3.5
169.01436	2.6
173.04457	2.0
173.20592	1.7
175.00412	7.8
176.01109	4.2
177.01904	7.7
179.03476	12.3
187.00325	3.0
188.01108	4.4
191.03758	2.9
191.05591	25.5
202.98035	2.7
202.99854	44.1
204.00122	2.5
211.04031	5.5
216.00575	13.0
217.01469	2.5
223.09785	1.9
225.05614	2.1
227.03470	4.0
230.99396	2.1
231.02997	2.3
235.02417	17.1
241.05086	1.8
247.02454	3.0
251.03450	2.7
253.05043	2.2
255.03011	6.3
258.04880	1.6
263.01862	5.7
267.02902	2.4
269.04529	3.4
271.02444	2.1
277.08334	1.5
279.03052	3.5
280.03687	2.6
281.06763	2.3
282.01761	2.2
283.02539	9.4
284.03085	2.2
295.02396	5.9
297.04150	8.5
300.02667	1.9
301.03500	1.8
307.02402	16.1
308.02835	2.5
309.03873	3.4
311.01852	2.3
323.01947	10.9
324.02652	6.0
325.03601	14.3
335.01871	3.9
343.17886	1.6
352.02188	8.9
353.03003	35.9
356.05582	1.9
357.13895	1.7
373.16470	3.9
377.06506	2.3
384.04901	39.7
385.05591	70.3
386.05997	7.3
403.18045	7.8
405.06265	3.7
478.09027	16.3
479.09616	6.6
531.11401	100.0
532.11938	11.6
563.17474	3.7
625.15649	50.4
625.25214	8.8
626.16034	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	624.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91827	1.5
61.98830	100.0
66.15114	1.4
74.82626	1.5
112.72830	1.7
151.52402	1.6
249.70580	1.8
351.24072	1.6
463.22440	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	625.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04808	1.1
59.01376	2.5
60.99303	12.2
61.98818	4.7
65.00319	1.9
69.03471	1.9
69.38515	10.5
71.01369	2.2
76.01268	1.2
77.85990	1.1
88.98806	72.7
89.02457	2.3
96.96014	2.1
98.20596	2.2
107.01363	2.7
109.02995	1.8
119.05022	1.5
121.02957	2.9
122.52422	1.7
124.01672	2.1
125.02413	1.6
133.02933	4.0
135.04515	3.7
149.02406	1.5
151.00386	7.0
152.01102	2.0
161.02461	31.1
163.95280	1.0
174.03169	1.3
177.01836	1.2
178.99879	5.9
179.03416	1.7
191.05670	7.6
194.58044	1.4
214.02779	3.2
225.01910	6.8
226.02548	1.4
228.04260	1.5
241.05067	1.4
242.02138	2.5
243.02951	1.8
255.03041	2.4
256.03745	2.1
267.02985	1.5
269.00882	29.5
270.01227	2.2
281.00809	1.7
282.01648	4.3
283.02438	10.4
284.03183	2.9
295.06107	2.5
297.04163	1.7
301.03583	1.5
319.06122	3.0
329.02936	2.4
345.03906	6.5
346.04422	2.8
347.05466	2.4
353.02945	2.9
357.02643	3.9
361.03528	7.9
362.04626	1.6
363.05133	5.9
373.03568	28.7
373.11346	3.4
374.03781	3.5
375.04999	3.3
389.03012	14.5
390.03699	13.3
391.04498	10.2
392.04932	1.2
405.06174	2.0
418.03238	39.8
418.08557	2.7
419.04053	72.1
420.04440	7.2
433.05545	3.1
434.05914	1.6
435.07120	1.8
441.75372	1.3
447.07153	23.1
448.07593	2.1
460.97128	1.3
478.05286	5.8
479.05847	5.9
535.14618	2.1
565.09833	100.0
566.10345	11.0
581.13275	3.1
593.13031	3.4
625.11938	28.1
626.12268	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	623.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19656	0.6
52.60740	0.7
55.41351	0.7
59.01389	0.8
61.98817	1.3
72.99322	0.8
78.95903	100.0
80.02694	2.1
81.03470	1.7
83.05023	8.6
84.02180	1.7
85.02951	0.6
95.05018	0.9
96.87411	0.7
96.96956	8.2
106.50824	0.7
125.06056	1.3
134.98508	1.1
135.08154	0.8
150.98026	0.8
152.99577	56.5
153.99902	1.2
160.93454	0.8
163.11278	5.9
165.12805	3.1
168.76907	0.6
181.12360	1.1
191.05521	0.7
191.10753	1.6
195.19279	0.6
207.10211	1.0
209.11815	93.5
210.12166	4.6
227.12852	12.2
234.06636	0.7
363.12106	34.3
364.12601	1.7
381.13251	10.3
395.14725	7.7
413.15738	2.1
436.33496	0.8
443.81366	0.7
591.25726	47.2
592.26178	4.5
623.28302	27.4
623.38556	1.5
624.28369	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	624.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39598	1.0
59.54383	1.1
61.98830	100.0
70.08364	4.5
140.39581	1.0
145.60498	1.0
152.99550	1.3
180.43814	1.3
300.43658	1.2
370.68256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70897	0.6
59.90008	0.6
61.98830	100.0
65.20228	0.6
69.92806	2.9
78.95937	0.8
101.69981	0.6
213.43069	0.7
265.68524	0.6
303.34637	0.7
388.30490	0.8
417.32449	0.8
507.42340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22020	0.4
55.84612	0.5
57.03432	0.7
59.01376	100.0
60.01719	0.9
61.98829	7.1
69.03452	0.7
71.01376	5.8
72.99297	0.8
73.02960	1.1
77.01453	0.5
78.95912	1.0
79.95764	0.5
83.01391	0.6
85.02962	2.3
87.00887	0.7
88.98804	0.9
89.02455	2.8
91.10591	0.5
93.03468	2.2
95.01448	0.5
96.96027	1.6
99.00912	1.0
99.92598	0.8
101.02445	3.2
109.02927	1.0
110.91843	0.4
113.02465	2.3
115.00415	0.8
115.92102	0.5
116.92847	0.9
119.03496	0.5
121.02951	13.1
123.04529	0.7
125.02522	0.7
128.39165	0.5
131.03436	0.8
133.02968	0.8
135.04504	3.7
137.02452	0.9
143.03517	0.6
149.02489	0.5
150.03217	0.5
151.00444	0.6
161.02505	2.0
161.04584	1.9
165.05603	1.4
166.02750	1.0
169.01433	0.7
173.04547	0.7
175.02524	1.8
179.03494	2.7
181.05092	1.8
191.05591	5.9
195.06735	0.8
207.06569	0.6
207.10254	0.6
209.08264	0.6
223.13490	1.5
224.13716	0.9
225.13962	0.7
235.08684	0.5
261.51321	0.5
271.02332	0.5
327.21741	1.0
359.14984	0.7
386.13647	21.4
387.13922	2.5
389.06650	0.6
398.13812	1.0
401.16010	44.6
402.16412	4.1
537.21582	0.7
546.82257	0.5
622.32031	0.7
623.23584	0.8
623.32715	5.3
638.06201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22020	0.4
55.84612	0.5
57.03432	0.7
59.01376	100.0
60.01719	0.9
61.98829	7.1
69.03452	0.7
71.01376	5.8
72.99297	0.8
73.02960	1.1
77.01453	0.5
78.95912	1.0
79.95764	0.5
83.01391	0.6
85.02962	2.3
87.00887	0.7
88.98804	0.9
89.02455	2.8
91.10591	0.5
93.03468	2.2
95.01448	0.5
96.96027	1.6
99.00912	1.0
99.92598	0.8
101.02445	3.2
109.02927	1.0
110.91843	0.4
113.02465	2.3
115.00415	0.8
115.92102	0.5
116.92847	0.9
119.03496	0.5
121.02951	13.1
123.04529	0.7
125.02522	0.7
128.39165	0.5
131.03436	0.8
133.02968	0.8
135.04504	3.7
137.02452	0.9
143.03517	0.6
149.02489	0.5
150.03217	0.5
151.00444	0.6
161.02505	2.0
161.04584	1.9
165.05603	1.4
166.02750	1.0
169.01433	0.7
173.04547	0.7
175.02524	1.8
179.03494	2.7
181.05092	1.8
191.05591	5.9
195.06735	0.8
207.06569	0.6
207.10254	0.6
209.08264	0.6
223.13490	1.5
224.13716	0.9
225.13962	0.7
235.08684	0.5
261.51321	0.5
271.02332	0.5
327.21741	1.0
359.14984	0.7
386.13647	21.4
387.13922	2.5
389.06650	0.6
398.13812	1.0
401.16010	44.6
402.16412	4.1
537.21582	0.7
546.82257	0.5
622.32031	0.7
623.23584	0.8
623.32715	5.3
638.06201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15467	2.2
54.14851	1.9
56.24803	2.0
61.98828	100.0
77.70641	2.0
78.95890	3.5
88.63165	1.9
113.14236	2.4
129.50638	2.2
152.99596	2.3
211.05663	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35152	0.9
55.46095	1.0
56.80467	1.0
59.01381	8.1
61.98828	15.3
71.01369	4.8
71.53199	1.1
78.74885	1.0
78.95902	100.0
81.03452	1.8
83.05021	4.2
84.02162	1.6
85.02918	1.7
88.98813	7.3
89.02455	4.9
93.03416	1.1
96.95972	1.2
96.96960	7.9
97.02936	3.2
99.04551	1.6
101.02477	1.2
101.10154	0.9
109.06588	15.7
113.02428	1.2
119.03506	1.4
134.98529	1.8
135.08174	3.0
142.02724	1.2
143.06575	1.1
152.99577	58.4
161.02472	1.5
163.11287	8.2
169.01463	1.5
171.10324	1.2
181.12349	2.8
191.05579	4.0
207.10249	19.6
209.11813	48.3
210.12091	2.2
225.11304	13.3
227.12825	6.5
232.23831	1.2
280.81030	1.2
361.10583	18.7
362.10776	1.7
363.12131	14.3
366.90784	1.1
379.11664	7.0
381.13382	4.9
395.14636	9.6
413.15683	1.8
441.26352	6.4
589.24170	48.4
590.24243	5.1
621.26208	21.6
622.26929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42376	0.2
54.28824	0.2
69.27187	2.2
78.95902	38.0
96.96958	100.0
103.38956	0.2
168.99081	1.1
191.05618	2.9
267.06378	19.2
268.06824	0.6
333.44653	0.3
353.08661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83734	0.9
56.71902	0.8
57.03440	2.1
59.01344	1.2
61.98827	1.3
69.03455	2.6
70.61648	0.9
70.72009	1.1
70.72338	1.7
78.95888	3.3
83.05016	1.0
85.02961	6.4
97.02956	1.4
97.06584	2.5
109.06523	1.0
111.08154	2.2
125.09745	1.4
127.11273	2.2
137.09734	2.6
151.11234	1.5
152.99538	1.4
153.09196	1.3
153.12843	3.7
163.11292	1.6
165.12857	3.0
167.10846	1.4
169.12352	2.1
171.10263	18.3
177.12790	1.6
179.14348	1.6
181.12288	2.9
183.13864	2.8
183.34273	0.9
193.12524	1.0
197.11810	6.7
199.13351	1.7
201.11191	1.4
207.13918	2.6
207.16876	0.9
209.11784	1.3
211.13359	14.9
221.11882	1.9
229.14407	9.5
239.12862	1.6
239.98251	0.8
247.20691	4.2
255.23157	1.8
263.20120	1.2
273.18478	2.8
277.13019	0.9
289.18265	1.0
290.18381	1.3
291.19641	26.3
292.19852	2.1
308.19370	1.0
309.20679	100.0
310.21017	5.4
327.21725	66.4
327.25824	1.1
328.22122	5.7
471.34512	1.2
601.41101	10.1
602.41589	1.3
619.42169	25.3
620.42029	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	618.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59043	0.5
61.98828	100.0
63.99248	0.8
68.44823	0.6
70.74434	1.1
70.74787	1.1
78.95903	20.2
96.96985	1.4
109.06646	0.7
128.88737	0.6
152.99579	11.9
153.99942	1.2
165.13206	0.5
204.07359	0.6
207.10255	0.6
209.11794	1.3
225.11394	1.6
226.11749	1.2
227.12952	0.5
238.69270	0.6
255.23297	12.7
256.23645	6.7
302.13910	0.6
361.10654	0.8
362.11005	1.1
391.22577	3.6
392.23114	2.2
409.23813	2.0
410.23972	1.3
533.86938	0.7
557.57648	0.6
618.35004	5.1
619.36194	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99746	0.9
51.28630	1.1
58.00585	1.3
59.01381	26.5
62.74643	1.2
69.03455	15.8
71.01379	23.3
71.52504	1.6
71.52879	1.5
72.99322	2.1
83.01384	1.8
85.02945	3.6
86.41092	1.2
87.00873	36.3
89.02448	9.2
93.03471	2.0
95.05016	12.9
96.96004	1.1
101.02440	4.0
101.10857	1.0
113.02440	4.4
115.00368	47.0
119.03513	4.4
121.02990	3.5
121.06596	3.1
123.04531	1.1
133.68324	1.0
139.04019	9.6
147.08130	4.1
165.01962	1.0
166.53389	1.1
167.03450	1.2
173.06165	1.3
175.02469	74.9
175.07594	2.1
176.02753	1.7
177.29242	1.1
191.05554	2.4
191.07132	2.6
193.01392	2.6
193.65030	1.0
201.05663	1.0
202.99055	1.0
211.02536	1.9
219.06534	2.0
270.52176	1.2
354.36649	1.2
371.13828	1.1
443.11899	100.0
444.12369	7.1
583.02173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76147	0.5
61.67418	0.6
70.10549	1.3
70.10931	2.2
78.95901	17.4
84.41499	0.6
90.31879	0.6
96.96909	1.3
152.99583	9.4
209.11855	3.8
209.40849	0.6
255.23268	15.2
256.23602	0.9
269.53772	0.7
287.91785	0.7
363.12012	2.9
389.15381	0.9
391.22519	4.5
401.14038	2.0
409.23578	2.8
415.15411	3.1
416.16379	14.0
417.16617	1.2
429.16684	1.5
430.17957	2.6
431.18585	1.7
434.17233	1.0
444.15634	1.6
458.17175	1.2
459.18216	94.7
460.18570	11.4
473.19836	15.3
474.20596	5.7
485.16129	0.9
487.17017	0.9
499.17993	1.1
501.19586	1.7
503.16946	3.0
504.17374	0.9
513.18762	0.8
517.18561	1.6
518.19562	48.6
519.19916	5.8
532.21136	8.1
533.21899	100.0
534.22217	13.5
587.22961	6.6
588.23682	1.2
619.25684	87.1
619.35858	9.0
620.25824	13.0
620.35620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95947	0.6
61.98833	2.5
62.96389	0.8
69.91710	0.6
69.92049	2.4
78.95898	100.0
83.05016	2.1
89.07853	0.7
93.03429	0.5
94.99583	0.4
96.63214	0.5
96.96955	9.0
97.33498	0.5
98.19966	0.7
121.98302	0.7
126.45977	0.6
134.98483	1.5
135.96175	0.7
150.98012	0.8
152.99573	60.0
161.15129	0.6
162.81010	0.5
163.11246	1.7
165.12785	0.6
171.00729	0.7
191.10690	0.6
209.11804	26.5
210.12187	1.4
227.12845	7.0
255.23259	87.5
256.23584	4.6
363.12054	12.3
364.12527	1.0
381.12985	2.0
391.22513	23.1
392.22806	2.2
409.23587	12.1
410.24084	1.3
619.36096	42.4
620.36346	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	617.406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86792	1.0
57.03450	2.2
63.90438	1.1
69.03436	1.4
71.01367	1.9
71.05022	1.1
75.63067	1.3
78.95898	3.3
80.02671	1.3
81.03446	2.4
82.62915	1.2
83.05029	6.5
83.66828	1.2
84.02175	2.6
85.02942	1.2
95.04994	1.8
97.06576	2.3
99.08143	2.6
107.04983	1.5
108.02197	1.0
109.06602	2.1
113.38124	1.0
115.07636	3.2
117.03461	31.5
117.25158	1.2
119.05035	9.2
121.02922	1.8
125.09735	5.0
127.07660	10.1
139.07654	3.6
144.79790	1.2
145.02951	100.0
146.03270	4.2
153.09213	4.2
155.10751	3.3
157.24443	1.2
163.03998	1.9
163.11279	3.0
165.12808	6.9
171.10236	4.3
178.09976	3.7
179.10738	1.1
181.12321	3.4
185.11873	11.9
191.10783	2.2
191.14423	1.1
192.97641	1.2
193.12283	1.5
197.11807	17.9
198.12146	1.7
209.11813	81.2
210.12120	3.1
211.13364	2.2
236.10498	1.3
237.11255	1.2
238.12022	4.8
241.10809	1.2
245.19014	2.6
247.20731	3.4
251.16536	1.7
256.13211	3.0
260.18387	1.1
263.20132	1.6
271.17059	1.1
273.18561	1.7
279.19501	1.8
281.21365	1.6
289.18094	9.3
289.92950	1.1
290.18478	1.5
291.19669	32.8
292.19910	1.6
307.19150	99.2
308.19519	6.4
309.20715	64.3
310.21030	4.9
325.20187	72.9
326.20474	4.7
406.22299	1.2
491.33621	1.5
573.39563	5.8
581.38397	11.3
588.25348	1.3
599.39471	7.4
617.38513	94.5
618.38776	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	618.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22334	0.8
54.43241	0.9
57.23212	0.8
59.01365	6.5
61.98830	77.9
70.21365	0.9
70.21711	3.9
71.01390	4.6
73.02936	1.1
79.15743	0.8
85.02944	2.7
86.58601	0.8
89.02454	4.5
91.05577	0.8
93.03484	1.3
96.95999	1.4
101.02427	2.1
107.04997	1.3
109.68459	0.8
113.02467	1.1
131.03510	1.1
133.02951	21.4
134.03708	3.9
135.04523	72.0
136.04839	3.2
145.30165	1.1
149.04456	1.3
161.02443	66.1
162.02805	1.8
169.01492	1.1
171.10281	1.2
179.03499	40.0
180.03934	1.8
191.05608	10.2
353.08780	0.9
374.68683	1.0
482.46100	1.2
555.20782	100.0
556.21124	11.0
618.34442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
59.01370	1.1
69.87569	2.7
71.01406	1.6
80.02679	1.0
81.03432	0.8
83.05015	3.0
84.02210	0.9
85.02962	1.0
97.06611	1.4
98.20586	0.8
99.08192	0.7
101.38091	0.5
109.06628	0.6
111.08167	1.9
115.07635	0.6
115.92108	0.5
117.03468	8.0
119.05042	1.9
121.02941	0.7
123.08210	0.9
125.09697	2.6
127.07635	4.5
127.11319	1.8
135.08131	0.8
137.09706	1.1
139.07648	1.3
145.02953	30.5
146.03343	1.1
151.11278	1.7
153.09232	1.8
153.12881	3.8
155.10794	2.1
163.11275	1.9
165.12918	2.4
167.10762	2.3
171.10258	1.3
178.09999	1.9
179.10725	0.8
179.14447	1.6
181.12340	3.4
185.11850	4.3
191.10789	1.2
193.12251	0.6
193.16000	0.6
197.11829	8.0
198.12326	0.6
199.13441	0.8
200.74158	0.6
207.13861	1.6
209.11826	25.9
210.12199	1.7
211.13411	0.6
215.12953	0.7
222.43219	0.5
227.12866	0.7
228.13707	0.7
237.11247	0.8
238.12096	1.8
245.19211	0.8
247.20615	4.1
256.13330	1.0
273.18509	2.1
281.21228	1.5
289.18146	4.1
291.19662	25.6
292.19907	1.6
307.19147	35.2
308.19370	2.4
309.20706	100.0
310.20953	5.7
325.20193	22.5
325.24115	0.9
326.20490	1.3
459.31342	0.7
483.31076	0.5
489.32028	1.1
508.69568	0.6
537.29437	0.7
581.38348	4.4
599.39435	4.2
617.38562	31.9
618.38953	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	617.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01378	1.0
61.98831	0.4
67.05547	0.3
69.03448	0.5
78.95931	0.8
80.02685	0.6
83.05038	0.6
90.97102	0.4
95.05003	0.5
97.02969	0.3
97.06615	0.6
106.04261	0.3
106.36641	0.3
109.06589	0.9
110.03703	0.3
111.08157	2.8
117.03464	31.8
118.03838	0.9
119.05022	8.6
121.02970	1.4
121.06553	0.4
123.04510	1.6
123.08157	0.6
123.84580	0.4
125.09709	2.3
127.07693	0.6
133.02882	0.4
134.03818	0.4
135.08150	1.2
137.09721	0.7
141.05571	1.4
141.12920	0.4
145.02950	100.0
146.03307	3.4
149.06091	0.5
149.09756	0.4
151.11221	0.7
153.09186	2.6
153.12936	0.4
161.61658	0.3
162.03253	0.6
162.10370	0.3
163.04021	2.0
163.11314	1.9
165.12837	0.4
169.12346	1.3
171.10255	4.5
174.10454	0.3
181.12372	0.5
185.11792	2.3
187.09731	0.3
191.14357	2.4
192.14856	0.3
197.11818	12.3
198.12170	0.6
199.13405	0.5
207.10280	0.8
209.11823	3.0
211.13400	1.0
215.24632	0.3
225.11340	1.1
227.13008	0.3
245.19073	6.1
255.23204	0.6
263.20334	0.6
265.17880	0.5
271.17001	0.9
289.18088	23.8
290.18433	1.3
291.19635	2.6
305.17630	0.4
307.19138	28.3
308.19385	1.7
309.20682	8.3
310.21124	0.7
324.19287	0.4
325.20181	8.9
326.20468	0.5
344.90872	0.4
453.33707	0.9
497.32474	1.6
573.39648	1.0
581.38269	0.9
599.39557	1.6
617.38458	97.6
618.38794	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	617.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01382	3.9
61.98826	2.9
65.40685	0.9
69.03455	1.1
71.05001	1.9
78.95911	1.3
80.02672	1.5
81.03448	2.4
83.05013	2.0
85.92739	0.9
95.05040	2.7
97.02960	4.0
97.06593	2.7
98.03749	1.1
99.04556	1.1
106.04232	1.9
109.06580	3.6
110.19598	1.0
117.03444	1.4
117.07161	1.2
119.08677	1.2
123.04519	5.0
123.08140	3.1
125.09721	9.1
127.07651	1.0
134.57391	1.0
135.08145	6.1
137.06084	1.4
137.09743	4.6
139.07689	1.1
141.05589	4.3
141.09120	0.9
141.12837	2.0
142.02663	1.1
145.02988	4.3
149.06020	1.4
150.10475	1.3
151.11256	2.0
153.09201	10.7
161.09706	1.4
163.07664	1.0
163.11302	11.3
165.09216	2.4
165.12830	7.0
167.10683	1.5
171.10272	18.0
177.12862	2.0
179.10760	1.2
179.14400	3.2
181.12325	3.6
185.11827	9.0
191.05602	1.8
191.10768	1.6
191.14432	9.5
193.15884	1.6
197.11890	4.4
198.07942	0.9
207.10243	3.9
207.13734	0.9
209.11809	11.0
210.12164	1.2
211.13210	2.1
217.15913	2.1
219.13734	0.9
223.13383	3.3
225.11230	4.9
227.12752	1.4
243.12706	1.0
243.17741	1.0
245.19069	24.8
246.19490	1.6
247.17024	1.1
247.20702	6.5
271.16940	1.8
273.18497	1.4
289.18076	94.3
290.18442	5.6
291.19647	50.3
292.20013	2.9
293.21060	1.0
305.17456	1.2
307.19125	100.0
308.19431	7.5
309.20694	70.7
310.21045	5.5
311.58765	0.8
324.19434	1.3
325.20184	38.0
326.20517	1.8
445.29803	1.3
453.05872	1.0
529.07013	1.1
581.38354	4.6
599.39471	7.0
617.39697	6.9
618.39526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01644	0.2
69.86795	1.1
86.15295	0.2
86.68475	0.2
98.20546	0.3
100.88535	0.2
117.03465	28.5
118.03806	0.7
119.04163	0.4
119.05017	7.2
121.02969	1.5
123.04541	0.5
133.02962	0.4
145.02951	100.0
146.03294	3.4
162.03221	0.6
163.03996	2.2
163.11293	0.4
171.10339	0.4
185.11952	0.3
191.14455	0.3
197.11887	0.4
209.11830	0.8
245.19032	0.5
268.45840	0.2
289.18109	2.4
291.19687	0.9
307.19122	3.9
309.20667	3.0
325.20279	1.2
344.95621	0.3
453.33710	1.2
497.32773	1.5
510.95663	0.3
573.39630	0.5
574.39996	0.3
617.38428	94.3
618.38739	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	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.6
78.95874	0.4
89.27052	0.4
93.03479	0.8
97.06564	0.6
108.62391	0.4
117.03470	3.9
119.05026	63.6
120.05365	1.6
121.02962	0.5
125.09816	0.5
131.05035	0.5
132.05807	1.7
145.02946	6.0
155.06827	0.4
163.04004	77.8
164.04352	2.6
229.69350	0.5
289.17996	0.9
291.19839	0.4
309.20911	0.7
391.30038	0.5
407.33096	0.8
453.33743	21.2
454.34039	2.6
501.32108	0.8
506.01474	0.4
579.67712	0.4
581.38171	1.1
617.38452	100.0
618.38843	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	617.3843
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
58.86848	0.3
61.98838	0.6
83.99519	0.3
86.28933	0.3
93.03433	0.6
97.06589	0.3
100.30430	0.3
116.18327	0.3
117.03461	4.6
119.05024	64.8
120.05324	1.6
121.02953	0.6
131.05060	0.5
132.05815	1.7
133.03030	0.3
145.02953	6.8
159.98180	0.4
163.04004	76.6
164.04327	2.8
165.46988	0.4
181.02975	0.4
285.03241	0.4
391.29852	0.8
407.33148	0.6
453.33704	20.9
454.34167	3.0
510.28638	0.4
617.38440	100.0
618.28595	0.8
618.38757	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	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68829	0.2
93.03522	0.2
99.90437	0.2
105.70685	0.2
117.03463	30.5
118.03812	0.8
119.05028	6.9
120.05399	0.3
121.02948	1.7
123.04507	0.5
133.02927	0.4
145.02950	100.0
146.03299	3.5
162.03224	0.8
163.04007	1.5
233.76311	0.2
279.38867	0.2
289.18005	0.3
291.19464	0.3
307.19016	0.4
309.20523	0.2
311.20459	0.2
395.61200	0.3
453.33792	1.1
497.32547	1.6
569.86536	0.2
573.39209	0.3
617.38434	95.5
618.38770	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	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28021	0.2
53.12086	0.2
57.03431	0.2
78.95902	0.3
99.04389	0.2
99.69495	0.2
101.56899	0.2
104.04784	0.2
106.19901	0.2
117.03463	27.0
118.03783	0.6
119.05026	5.4
120.05338	0.3
121.02941	1.3
123.04493	0.6
145.02950	80.2
146.03275	2.1
162.03188	0.5
163.03992	1.2
171.10168	0.3
197.11865	0.6
269.40018	0.2
289.18076	0.9
289.34714	0.2
291.19653	0.9
292.20300	0.3
307.19141	1.5
309.20642	2.3
310.21069	0.2
325.20102	0.6
327.72092	0.2
453.33688	1.6
471.34586	0.3
497.32791	0.8
544.03467	0.2
553.49176	0.2
599.39789	0.4
617.38440	100.0
618.38794	16.2
618.46643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79680	0.3
69.24783	2.2
69.25183	0.9
79.47025	0.3
83.44817	0.3
117.03465	29.7
118.03770	0.6
119.05021	7.3
121.02977	1.3
123.04544	0.5
125.09714	0.3
145.02951	100.0
146.03290	3.7
153.09268	0.4
162.03148	0.6
163.03976	2.0
170.97318	0.3
209.11783	1.0
211.19775	0.3
245.19058	0.5
248.78212	0.3
289.18002	2.1
291.19653	1.0
307.19104	2.7
308.19437	0.3
309.20712	3.4
310.21088	0.3
325.20154	0.9
325.33752	0.3
374.52628	0.3
453.33862	1.8
497.32727	1.7
617.38440	96.9
618.38770	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	617.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85719	0.8
57.44262	0.9
59.01360	1.3
59.48712	0.7
61.41997	0.7
61.98815	1.6
67.26188	0.9
69.32967	7.7
78.95902	100.0
96.96944	7.9
97.02923	1.6
108.41173	0.8
109.06581	9.8
121.06584	0.9
130.57779	1.1
134.98505	1.4
135.08136	1.4
141.56927	0.9
144.03311	0.9
152.99580	68.5
163.11250	2.8
171.33363	0.9
181.12289	1.6
207.10255	13.3
225.11313	10.6
255.23277	95.9
256.23657	6.2
311.16864	1.6
361.10559	13.7
379.11429	1.3
391.22556	26.7
392.22888	1.9
396.91089	0.9
409.23566	15.4
617.34546	34.3
618.34772	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	617.3839
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.77439	0.4
54.39429	0.6
54.39687	0.5
58.94011	0.5
59.12892	0.5
71.14679	0.8
71.15011	0.6
78.95901	9.9
80.02644	0.7
80.50722	0.6
83.05026	0.9
91.79956	0.5
96.96981	0.5
117.03465	1.3
119.04996	0.6
121.03014	0.8
125.09696	0.8
132.02126	0.6
133.02937	14.5
133.03906	0.9
134.03719	2.5
135.04507	3.7
137.02432	2.2
137.09648	0.6
145.02948	2.8
152.99573	12.1
155.10811	0.6
161.02434	32.0
162.02725	1.4
163.11275	0.9
165.12787	0.8
172.50204	0.6
178.09987	0.7
179.03508	1.6
185.11815	1.2
191.10759	0.6
197.11855	0.8
209.11818	12.3
211.13335	2.1
227.12755	0.9
255.23300	1.3
289.18124	1.6
291.19635	2.4
305.17514	2.9
307.19116	10.7
308.19473	0.6
309.20657	4.6
311.22430	1.1
323.18353	1.3
325.20068	2.8
363.12051	1.6
381.13101	4.9
429.30048	0.6
599.39624	2.5
617.38446	100.0
618.38782	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	617.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87189	0.2
64.69241	0.2
65.87144	0.3
68.76414	0.2
69.93571	1.2
111.08146	0.4
117.03464	30.7
118.03799	0.7
119.05022	7.6
120.05436	0.3
121.02980	1.7
123.04544	0.6
133.02975	0.3
145.02950	100.0
146.03290	3.3
148.53055	0.2
153.09184	0.4
162.03235	0.6
163.04004	1.9
163.11304	0.3
171.10237	0.6
182.25024	0.2
185.11746	0.3
188.49612	0.2
191.14308	0.3
197.11775	1.3
209.11885	0.4
219.12253	0.3
240.88734	0.2
245.19043	0.5
258.06097	0.3
289.18069	2.6
291.19534	0.4
307.19119	3.4
309.20706	1.3
325.20197	1.2
391.30350	0.3
407.33450	0.3
453.33698	1.2
497.32642	1.3
544.28613	0.3
573.39587	0.7
599.39929	0.3
617.38422	96.5
618.38757	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	617.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32344	3.1
59.01373	11.8
69.03454	28.1
69.37132	3.0
69.85799	18.8
71.01369	6.9
89.02436	9.0
96.41260	4.3
97.02947	100.0
101.02460	3.2
105.03422	3.1
108.57545	2.9
113.02412	5.7
121.02967	5.0
123.04540	37.5
149.06125	8.7
167.07150	21.5
193.05057	11.1
316.14459	3.5
373.11462	30.3
532.40576	4.1
610.17651	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	617.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01382	2.7
61.98836	0.5
63.86936	0.3
70.28869	1.0
71.01368	3.2
73.02968	0.7
78.95910	0.7
80.02679	1.0
81.03471	0.9
83.01388	0.6
83.05021	3.7
84.01633	0.2
84.02144	0.7
84.50115	0.2
85.02966	1.2
87.00891	0.7
89.02448	2.6
90.86754	0.3
93.03465	0.4
95.05025	0.3
98.20580	0.3
101.02424	2.6
109.06590	0.3
113.02460	1.7
114.58821	0.3
119.03497	0.9
123.45007	0.3
125.06059	0.3
125.09726	1.1
127.11283	1.5
128.90189	0.3
131.03505	0.3
135.08200	0.4
143.03543	0.3
153.09161	0.4
159.09975	0.3
161.04539	1.1
163.11308	2.6
165.12863	1.8
171.10257	100.0
172.10622	2.8
179.05638	0.4
181.12347	0.8
191.05605	0.9
191.10773	0.6
209.11807	85.4
210.12144	3.9
227.12871	9.8
227.15137	0.4
228.13094	0.6
235.08231	3.4
253.09264	7.5
268.59689	0.3
363.21692	0.5
399.21899	0.4
407.19229	1.3
445.20880	0.4
472.82422	0.3
581.30054	0.5
617.31091	0.9
639.64819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
61.98830	43.4
65.24664	1.0
71.01377	4.8
71.54038	1.8
78.95908	1.7
85.02943	3.9
86.22047	1.1
89.02444	5.1
92.82802	1.0
93.03464	4.1
96.96001	1.4
99.00881	1.8
99.05590	1.3
101.02434	3.2
109.02938	3.0
113.02409	1.3
121.02946	2.7
121.39195	1.1
123.04487	1.4
125.02455	3.0
128.03560	5.5
133.02921	2.7
133.80251	1.2
135.04483	2.9
137.02426	1.5
139.03975	1.4
139.11342	1.2
143.04602	4.6
148.01781	1.2
149.02513	1.2
149.04601	1.6
150.03189	1.4
161.02432	12.5
163.11397	1.0
165.01910	1.2
165.05585	1.8
165.12746	1.3
169.01414	2.3
171.10243	9.1
173.04634	2.0
179.03409	1.2
191.05615	19.3
192.05885	3.5
195.06586	2.0
207.10242	3.5
209.11873	4.4
211.07378	1.0
213.01881	5.9
225.11406	2.6
226.11386	1.2
241.01598	1.2
254.07797	2.2
257.00873	11.3
269.00854	3.2
272.08893	3.2
273.08948	1.2
285.00458	2.6
298.07437	1.1
304.05997	2.3
305.04562	1.3
332.03418	1.2
333.04074	1.9
334.04977	1.5
345.04132	1.2
349.03510	3.7
351.15811	1.2
360.02560	2.6
361.03497	19.0
362.04153	1.9
377.03049	18.3
378.03632	5.1
379.04688	1.5
406.03256	37.4
407.04041	31.2
408.04456	2.4
443.19046	1.2
518.13092	1.5
553.09857	100.0
553.26495	13.5
554.10321	7.8
615.33154	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	616.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33819	0.5
59.94451	0.4
61.98829	100.0
62.15600	0.4
63.37189	0.4
66.63993	0.4
78.95439	0.6
78.95901	8.9
81.76308	0.4
82.67825	0.5
96.96952	0.8
98.08411	0.5
109.06593	0.8
152.99577	7.3
153.48476	0.5
164.24405	0.4
179.10791	0.9
194.29317	0.4
197.11925	2.4
207.10306	1.5
225.11430	1.5
255.23302	11.3
272.66348	0.5
289.79623	0.5
315.14426	0.5
339.60172	0.5
361.10690	1.5
391.22537	2.4
409.23807	1.6
423.27298	0.5
553.37451	6.5
617.34717	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	615.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01366	1.2
60.89936	0.4
63.03798	0.4
70.27685	1.3
71.01360	0.5
72.36536	0.4
75.83189	0.3
77.48154	0.3
78.91806	0.4
78.95914	0.4
80.02669	1.0
81.03467	0.8
83.05022	3.0
89.84988	0.4
95.05027	1.4
97.02954	0.7
97.06572	1.5
99.04450	0.5
107.05032	3.6
108.02146	0.6
109.02922	0.4
109.06582	1.9
110.03734	0.7
111.08121	1.8
113.09716	0.4
121.02914	0.8
122.03774	0.4
123.04518	0.9
123.08141	1.1
125.02399	0.5
125.06065	1.2
125.09699	2.4
127.07641	0.6
127.11263	1.0
127.78984	0.4
133.02951	0.5
135.04533	0.8
135.08159	3.4
137.09673	0.9
138.06801	0.4
139.07594	0.5
147.04556	0.5
149.09677	0.6
151.11259	1.5
153.09209	4.9
153.12816	2.9
155.10750	0.9
159.30611	0.4
161.06078	0.5
161.09715	0.6
163.11282	4.9
165.12804	2.4
167.10779	1.0
169.12340	0.8
171.10175	0.5
176.08385	1.2
178.09952	1.5
179.10725	0.8
179.14403	1.9
181.12338	3.9
185.11807	2.0
189.09215	0.4
191.10692	2.1
191.14388	0.5
192.11435	0.4
193.15929	0.8
197.11815	7.0
199.13396	0.8
203.10828	0.4
207.10260	4.1
207.13916	2.0
207.15614	0.4
209.11813	32.4
210.12167	1.9
211.13412	0.7
213.15143	0.4
215.12752	0.5
217.12296	1.3
225.09377	0.6
225.11246	3.2
226.12010	0.7
227.12820	0.9
228.13788	0.7
235.99516	0.4
236.10426	0.8
243.17493	0.8
245.19112	1.1
247.20671	3.7
261.18484	2.0
263.16422	0.5
263.20105	0.5
265.21790	0.5
269.15497	0.8
273.18616	2.3
277.18005	0.8
279.19632	1.0
281.21219	1.3
287.16522	6.4
289.18051	2.2
291.19644	24.8
292.20041	1.8
305.17554	38.3
306.17844	3.2
307.19131	2.4
309.20688	100.0
310.21021	7.2
323.18625	10.4
324.18918	0.9
399.25092	0.6
457.29730	0.6
483.31110	0.9
487.30780	0.9
501.32001	0.7
517.31470	0.8
546.30151	0.4
579.36932	4.9
597.37933	7.2
598.38550	1.0
615.38928	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	615.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
59.01390	3.1
68.01182	0.5
69.03464	0.8
71.01345	0.7
78.95895	1.0
80.02637	1.6
81.03482	3.1
83.04984	1.9
85.02917	0.6
87.00848	0.6
93.03418	1.1
95.04975	2.5
97.02948	4.3
97.06548	2.4
99.04491	0.8
106.04204	1.8
108.02145	0.7
109.06539	1.8
110.03680	0.7
111.08160	0.7
113.06074	1.0
115.07616	0.5
121.06573	0.9
123.04543	4.3
123.08104	2.2
125.06065	0.9
125.09734	8.0
127.07595	1.0
131.05046	0.7
135.08150	4.3
137.06039	0.9
137.09723	4.5
141.05580	3.3
141.09206	1.6
141.12798	1.7
142.02679	1.0
148.08887	0.6
149.06021	1.1
149.09673	1.3
151.07576	0.6
151.11253	1.1
152.99573	1.0
153.09198	7.5
161.09634	1.0
162.10423	0.8
163.07640	1.4
163.11284	9.2
165.09163	1.1
165.12785	1.4
171.10252	12.1
175.11130	0.6
177.12785	1.1
179.10750	1.5
181.12296	2.3
183.13797	0.6
185.10260	0.8
185.11816	13.3
189.12650	0.7
191.05540	1.5
191.10626	0.7
191.14403	13.6
192.14771	0.9
197.11829	2.2
207.10243	5.5
209.11812	7.6
211.13361	1.2
217.15982	2.0
218.79596	0.6
219.13847	1.0
225.11320	4.6
226.11783	0.8
229.53619	0.8
243.17455	1.0
245.19077	26.6
246.19324	1.4
246.50725	0.6
255.23247	0.6
260.45822	0.6
263.20114	1.5
271.16946	3.4
272.24719	0.6
279.19690	0.8
287.16446	1.2
289.18076	100.0
290.18439	7.4
291.19559	0.8
305.17648	1.3
307.19128	95.4
308.19476	7.1
309.20770	0.8
309.85342	0.5
325.20181	23.8
326.20523	1.9
425.26883	1.3
432.84766	0.6
443.27823	0.7
561.36176	0.9
579.36829	2.9
597.38019	3.6
614.79742	0.7
615.38568	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	615.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17656	0.7
57.03448	1.2
59.01362	2.2
69.80221	4.2
78.95914	1.5
80.02677	1.9
81.03477	1.8
83.05044	5.6
93.84573	0.8
95.05024	2.2
97.02968	1.4
97.06588	3.2
97.44814	0.8
99.04508	1.1
99.92800	0.8
106.04279	1.0
107.05028	8.7
109.06565	2.3
121.02927	1.2
123.04520	1.6
123.08097	2.1
123.50851	0.8
125.02482	1.8
125.06075	2.9
125.09711	11.2
135.08159	7.4
137.06082	1.1
137.09708	1.1
151.07639	1.3
151.11226	1.1
153.09209	7.1
153.12836	1.5
160.84204	5.2
163.11296	5.7
165.12865	2.9
175.07590	0.9
176.08376	3.1
178.10030	2.1
179.14491	0.9
181.12347	2.4
185.11832	9.1
189.09102	1.0
191.10799	2.5
191.14404	1.1
197.11794	10.7
207.10205	5.4
209.11812	66.6
210.12202	3.3
211.13409	3.1
225.11316	5.9
236.10526	1.4
243.17461	2.2
245.19058	2.8
247.17206	0.9
247.20770	1.3
254.00624	0.9
261.18671	2.3
263.16495	1.4
265.81821	0.9
277.17889	1.3
279.19632	1.5
287.16556	12.8
289.15170	0.9
289.18085	6.1
291.19620	6.9
305.17566	100.0
306.17853	5.2
307.19064	10.3
308.19476	1.6
309.20706	18.7
310.21057	1.0
323.18619	37.3
324.19113	1.8
331.22693	1.3
399.25375	3.7
417.26584	1.1
427.28580	2.7
487.29898	1.0
501.32315	4.4
535.37921	1.0
536.21515	1.0
553.39679	1.3
579.36780	3.7
579.97498	1.1
580.37543	1.4
597.37866	25.2
598.38605	4.7
615.39038	8.9
616.19586	4.2
616.39691	1.8
634.72595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15963	0.9
57.03436	2.6
59.01368	1.8
71.05025	0.7
71.09955	1.4
71.10302	1.2
78.95895	1.9
80.02666	1.1
81.03457	2.9
83.01375	1.0
83.05026	8.0
84.02171	1.3
90.19505	0.7
93.03452	0.9
95.05019	3.6
97.02945	1.8
97.06584	3.3
99.59465	0.7
107.05046	8.8
108.02156	0.9
109.06577	3.2
110.03744	0.9
111.04472	0.7
111.08157	2.1
113.06078	1.9
113.09720	1.0
118.52779	0.7
119.05041	0.9
121.02946	2.4
121.06540	0.8
121.69701	0.8
123.00898	0.8
123.04504	2.2
123.08167	2.3
125.02434	1.6
125.06046	3.6
125.09736	9.2
127.07630	1.7
135.04475	1.0
135.08142	5.2
137.06102	1.3
137.09683	1.0
141.09134	1.0
147.04442	0.9
149.09686	0.9
151.11287	1.8
153.09203	7.3
153.12885	2.3
155.10878	1.0
159.08075	0.9
160.84209	1.1
161.09743	1.0
162.19173	0.7
163.11282	8.8
165.12854	7.1
167.10663	0.8
171.10303	1.5
176.08336	4.0
177.09132	1.2
178.09991	3.5
179.10771	1.7
179.14357	0.8
181.12419	4.4
182.12708	0.8
183.13925	1.1
185.11842	4.5
189.12825	1.2
190.10123	0.7
191.05547	1.3
191.10760	3.2
191.14464	1.1
193.12329	2.0
197.11826	13.5
199.09842	0.8
207.10243	8.3
207.13841	1.0
209.11821	83.3
210.12172	5.1
211.13348	3.2
217.12349	1.2
221.15424	1.1
225.11304	8.1
227.12823	2.5
235.16916	1.4
236.10515	4.3
237.14908	0.8
243.17540	2.6
245.15558	1.1
245.18979	2.2
247.13383	1.2
247.20691	4.8
253.11053	1.0
261.18497	5.7
263.20117	0.9
269.15546	1.1
273.18649	2.6
277.18109	1.7
279.19727	3.2
281.21017	1.0
287.16522	11.8
288.16962	0.9
289.18161	6.7
291.19659	49.6
292.19974	3.5
293.17914	0.8
305.17578	100.0
306.17883	8.5
307.19119	6.2
309.20706	89.6
310.20981	7.1
323.18622	24.8
324.18936	2.3
325.19833	0.8
375.25659	1.1
471.31042	2.0
483.31119	2.9
489.32108	1.0
501.31818	3.9
517.31793	1.4
553.76312	0.8
561.35699	0.9
579.36853	8.5
580.37482	1.8
597.37866	12.4
598.38434	2.2
615.38727	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	615.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05548	1.6
59.01382	5.9
59.12807	1.3
63.95980	1.7
69.03455	13.3
70.03773	2.9
71.52197	2.3
72.99318	4.6
79.95716	2.3
85.02953	2.6
93.02958	1.4
93.03464	9.3
95.05003	2.7
96.96001	3.4
99.31976	1.5
101.18855	1.4
119.05003	17.0
135.04549	10.8
163.03998	15.9
181.05060	41.4
181.87128	1.4
183.06664	3.5
184.07027	1.7
191.05612	33.9
192.05948	12.8
193.06017	8.2
199.00700	8.9
203.66090	1.4
215.00151	4.0
261.00702	100.0
314.78979	1.7
346.94672	1.8
353.08752	1.9
452.73618	1.7
624.70227	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	615.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87550	0.6
59.01374	0.6
61.98825	2.8
65.00332	0.5
66.52716	0.5
67.01896	1.2
69.03461	0.6
71.16883	0.8
77.43803	0.5
85.03023	0.5
90.01694	0.6
93.03439	3.1
108.02127	0.6
109.02979	2.8
119.01427	0.5
121.02940	3.3
122.03759	0.6
124.00743	0.5
125.02460	0.8
132.34300	0.6
135.04541	2.9
136.01654	1.8
137.02438	18.2
139.00360	0.7
145.02985	0.9
146.03769	0.6
147.00922	0.6
147.04512	1.1
148.01616	1.1
150.03098	0.8
151.00349	0.5
151.03996	2.2
161.02406	0.7
162.03206	1.1
163.03992	4.1
164.01105	2.8
164.04735	1.1
165.01920	100.0
166.02229	3.3
169.01355	0.6
174.03232	1.1
175.03972	6.8
176.04782	1.9
177.05557	2.1
179.03482	23.5
179.07065	1.1
180.04271	57.1
181.04730	2.4
188.04747	0.8
189.05571	2.1
190.06348	8.1
191.05576	5.5
191.07147	5.7
192.04260	1.1
192.05894	0.8
193.04904	2.7
194.05811	9.8
195.02917	2.4
195.06607	72.4
196.07002	2.5
203.07158	1.1
205.08694	6.6
207.06575	4.5
208.07365	5.2
209.04482	0.6
209.08173	1.2
210.05315	8.4
218.95651	0.5
222.08932	1.0
225.07668	53.1
226.08038	2.2
314.11771	0.6
344.12570	1.8
345.13467	2.4
357.13257	0.7
358.14307	1.2
359.14963	39.8
360.15234	2.7
388.15070	0.9
389.16129	1.4
471.00647	0.6
474.60535	0.6
518.13525	1.2
537.22046	0.9
552.20117	1.5
567.22296	50.1
568.22565	5.3
615.25854	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	615.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91812	0.8
57.97393	1.0
59.01361	3.5
61.98529	1.5
61.98830	17.5
67.01873	1.5
69.03454	2.2
71.01360	2.7
85.02943	3.0
87.00868	1.2
89.02437	1.5
93.03452	5.9
94.03780	1.3
96.95994	3.3
99.92579	0.9
109.02939	2.1
111.00911	0.9
111.04458	0.9
118.61773	0.8
123.00881	0.9
124.01670	1.6
125.02432	2.7
133.02975	1.4
135.04538	2.4
136.01642	2.1
137.01472	1.5
137.02438	19.6
137.36465	0.9
139.03954	1.6
144.77898	0.9
149.02435	5.0
150.03201	12.3
151.00360	1.8
151.03943	4.3
153.01926	0.9
157.17908	0.9
161.02368	2.4
163.03998	1.9
164.01176	2.5
164.04718	1.4
165.01917	100.0
165.05571	12.1
166.02263	4.1
168.00587	1.1
169.01346	2.6
171.10225	1.7
173.04483	3.6
175.99518	0.9
178.02681	1.3
179.03481	27.3
179.07111	2.1
180.04274	53.9
181.04587	2.5
191.05612	21.6
191.07208	0.9
192.05930	3.4
193.06050	2.0
194.05801	5.9
195.06606	74.6
196.06924	2.8
205.08600	1.6
207.06642	1.5
207.10313	1.0
209.08061	2.0
210.05302	12.4
222.45258	1.1
225.07663	59.5
226.07932	2.6
270.09189	1.1
285.11145	2.0
299.09149	1.2
328.13055	3.9
329.10172	4.3
341.10370	4.5
344.12662	4.2
356.12439	2.7
359.15002	18.2
371.14969	12.6
372.15359	1.1
389.16083	7.0
445.09842	4.2
518.13135	2.3
537.21838	5.6
567.22266	45.0
568.22418	4.5
615.15863	2.0
615.24530	3.6
616.24475	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0993
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01369	2.5
61.98830	7.1
63.02405	2.1
65.00321	2.4
67.01885	1.1
69.03453	1.5
71.01368	2.1
71.11024	2.0
76.04113	1.0
83.01389	2.8
85.02950	2.7
88.98824	1.1
93.03443	3.6
95.01353	1.0
96.96010	1.0
98.23978	0.9
99.00832	1.3
107.01389	7.2
108.02184	1.9
109.02938	2.4
111.00893	1.4
113.02463	1.2
116.92883	1.1
117.49351	0.8
121.02978	4.2
122.03768	0.9
123.00903	5.1
124.01636	2.8
125.02444	23.5
133.02965	1.2
135.00896	0.8
135.04533	1.4
137.02388	4.6
139.00331	3.0
139.03992	2.0
140.01208	2.3
148.01691	1.4
150.03212	3.5
151.00368	19.4
152.01041	0.9
153.01878	1.5
161.02415	5.5
163.00388	2.0
164.01137	2.1
165.01913	11.5
165.05566	3.7
166.02702	1.1
168.00621	4.0
169.01425	30.3
173.04543	2.0
177.01945	1.2
178.99863	10.1
179.03465	4.4
180.04262	8.1
181.05046	2.0
191.03668	1.1
191.05591	21.7
192.05930	4.9
195.06612	10.7
199.03906	1.1
210.05312	1.1
210.22771	0.9
225.07663	6.3
226.02776	1.5
227.03517	2.6
243.02969	8.5
254.02116	1.4
255.02966	24.9
256.03549	1.7
271.02451	41.5
271.05484	2.0
272.03043	4.6
273.03857	1.0
300.02725	74.9
301.03448	28.9
301.06903	1.6
302.03537	1.2
306.07623	1.3
313.05655	18.1
359.14948	1.0
371.14832	2.2
389.16150	2.2
447.09247	1.3
463.08633	19.9
464.09052	1.6
549.20959	2.5
556.24377	1.0
567.22369	2.9
593.93542	0.9
615.09863	100.0
615.25739	3.1
616.10107	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27106	0.3
59.01378	1.3
60.66565	0.3
61.98828	100.0
69.52257	1.9
71.01392	0.7
79.92372	0.3
85.02950	1.6
87.00880	0.8
88.98817	0.3
93.03453	3.4
94.03785	0.6
96.96023	0.6
101.02409	0.4
111.04562	0.3
116.92841	0.3
119.03494	0.3
123.00923	0.3
125.02494	0.5
127.04048	0.4
133.02977	0.5
137.02516	0.5
149.02499	0.5
149.68982	0.3
150.03256	0.9
151.04120	0.3
161.02454	0.5
165.01985	0.5
165.05521	1.4
169.01445	0.7
173.04529	1.6
174.04944	0.3
179.03461	0.6
180.04289	0.5
191.05598	10.8
192.05948	3.2
195.06657	1.2
199.07809	0.3
209.06169	0.3
223.10107	0.3
225.07654	0.4
242.06035	0.3
280.07193	0.3
281.07996	0.4
300.32144	0.3
322.17603	0.3
342.07343	0.3
389.16122	0.5
422.13525	0.4
515.12427	0.4
516.12372	1.7
517.12939	2.8
517.19611	0.3
537.21869	0.7
614.19617	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	614.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98831	100.0
67.01894	0.4
70.48905	0.6
70.49297	0.7
71.01388	0.4
73.02951	0.4
78.95946	0.4
85.02979	1.0
87.00896	0.7
93.03445	3.2
94.03819	0.8
96.96011	0.7
101.02457	0.3
103.11613	0.3
109.02954	0.4
111.04509	0.4
125.02452	0.4
133.02940	0.5
135.04538	0.5
149.02492	0.6
150.03146	1.6
161.02458	0.6
165.01865	0.5
165.05602	1.6
173.04526	1.5
175.04036	0.3
179.03491	0.6
180.04230	0.4
181.51389	0.4
191.05605	11.1
192.05934	2.5
195.06616	1.6
252.07579	0.4
253.08591	0.4
255.10191	0.3
280.07086	0.5
281.07733	0.5
299.02380	0.3
389.16055	0.6
389.57269	0.3
422.13397	0.5
429.15320	0.5
504.10336	0.4
515.12415	0.4
516.12427	1.7
517.12952	2.5
537.21484	0.8
614.19330	1.6
615.19299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.8
69.03458	29.2
71.52263	2.7
71.52622	2.9
75.00844	2.3
76.50957	2.1
85.02953	3.6
93.03465	5.8
95.05013	7.9
96.95992	7.4
97.02962	3.2
116.53035	2.7
121.02936	4.6
135.04459	2.6
137.02443	21.0
165.01910	100.0
165.05545	3.7
166.02313	3.4
179.03374	2.5
183.06573	10.5
191.05603	43.0
192.06000	2.3
201.01889	3.2
301.00140	4.9
301.03510	45.0
613.04559	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	613.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.5
59.01380	2.8
61.98817	4.0
69.03435	2.0
71.05002	5.0
71.09468	2.5
71.09795	1.4
72.34071	1.6
77.05682	1.4
77.59991	1.2
80.02667	2.3
81.03455	2.5
83.05029	3.6
85.02904	2.4
89.64031	1.5
93.03460	2.1
95.05013	6.2
97.02946	4.4
97.06579	5.5
107.05017	4.4
109.06602	6.1
109.10531	1.3
111.04494	2.1
112.05312	1.9
118.85554	1.5
120.05823	3.0
120.53558	1.4
121.02959	1.7
121.06554	2.2
123.04509	6.0
123.08130	4.7
125.06055	1.8
125.09726	15.9
127.07621	2.9
135.07224	1.8
135.08160	20.7
137.06027	2.6
137.09712	3.3
141.05579	1.4
141.12863	2.5
147.04485	4.0
149.06061	1.5
151.00365	1.9
151.11217	2.2
153.09200	11.1
161.06064	1.7
163.11241	8.1
163.26071	1.4
165.09196	2.0
165.12796	3.4
170.21440	1.2
171.10271	12.5
175.07693	3.4
177.09137	1.5
179.10764	1.6
181.12338	2.3
185.11826	27.2
189.12831	4.7
191.05577	4.1
191.14426	8.8
197.11835	6.6
203.14406	1.5
207.10202	5.8
209.11815	37.6
211.13409	1.5
225.11287	5.5
236.10539	2.6
243.17517	10.0
245.15280	1.7
245.19087	17.0
261.18549	3.0
269.15463	3.4
287.13364	2.5
287.16510	37.7
288.16727	2.5
289.18076	69.1
290.18329	3.2
305.17566	100.0
306.17883	4.4
307.19144	69.5
308.19354	5.2
309.20639	1.9
321.17270	1.9
323.18680	16.7
324.18954	1.8
325.20245	21.0
327.34863	1.6
328.29001	1.2
423.25281	2.4
441.26193	4.6
499.30637	1.5
577.35498	3.5
595.36456	15.6
596.36804	2.3
613.37524	11.5
614.37067	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	613.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03398	0.5
59.01366	1.8
62.68400	0.6
69.03452	3.7
69.40032	1.0
69.40434	3.2
70.75249	0.4
71.01377	1.1
77.03960	1.6
83.01399	0.7
85.02957	1.0
87.00923	0.5
90.27187	0.5
93.01557	0.4
93.03439	1.4
95.01392	0.6
95.05054	0.6
96.95995	1.1
97.02939	3.8
121.02950	4.7
137.02437	19.0
138.02800	0.6
153.16136	0.5
165.01918	100.0
166.02280	3.5
183.06557	1.7
191.03847	0.5
191.05569	7.1
251.52917	0.6
261.31482	0.6
301.03506	40.8
302.03851	3.4
317.29282	0.5
353.09076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43698	3.2
59.01112	3.9
59.01377	45.8
69.03457	100.0
95.05019	20.1
98.20648	11.8
102.00710	3.2
121.22618	3.9
128.63351	3.6
147.67813	3.5
165.05638	18.4
183.06642	38.5
191.05600	77.3
224.14101	5.2
232.79384	3.3
274.71521	3.4
353.08652	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	613.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39911	0.2
60.69860	0.3
61.07948	0.2
61.98799	0.2
71.01356	0.3
71.53075	0.4
78.87540	0.3
78.95910	0.3
79.95732	2.9
85.02932	1.5
93.03457	0.8
96.96006	100.0
97.95940	0.4
101.57829	0.2
101.65721	0.2
103.76574	0.2
109.02934	0.3
111.04518	0.6
133.02916	0.3
134.03719	0.8
135.04520	13.9
136.04849	0.5
155.03522	0.6
161.02431	1.5
171.36172	0.2
173.04610	1.2
179.03488	14.4
180.03809	0.6
191.05598	30.4
192.05934	0.8
209.41774	0.3
353.08740	29.2
354.09015	1.7
475.03439	0.3
515.11908	2.3
614.35052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49157	0.7
52.52491	0.7
52.77353	0.6
53.73762	0.7
57.03455	0.8
59.01388	3.7
60.99323	0.7
61.98832	6.9
67.01882	3.8
69.03461	2.6
69.39465	4.2
69.39874	1.6
71.01390	4.9
72.99321	1.3
78.95940	0.6
79.01887	1.7
81.03466	1.6
83.01353	1.5
83.05030	1.1
85.02946	5.2
87.00879	4.8
88.98817	2.2
89.02441	0.9
93.03461	17.3
95.01398	3.4
96.96014	2.6
97.02940	1.4
101.02441	3.1
107.01392	12.3
108.02216	0.7
109.02922	1.8
111.00885	4.4
111.04543	2.3
113.02470	2.1
116.92875	1.0
119.05021	0.9
121.02952	0.9
123.00887	13.2
124.01648	3.8
125.02444	81.6
126.02783	1.8
127.00430	1.4
127.04018	1.1
131.05002	0.9
133.02971	0.8
135.04500	2.1
136.98830	2.2
137.02446	2.9
139.00372	5.8
139.04007	1.3
140.01152	5.5
141.01918	1.8
147.04533	4.3
149.02429	2.2
150.03194	1.3
151.00372	8.9
151.04004	1.1
153.01945	2.4
155.03551	0.9
157.06458	0.8
159.06047	0.7
161.02460	2.7
161.06090	1.8
163.04024	1.0
165.01915	6.2
166.99852	1.9
167.03510	1.1
168.00620	13.4
169.01419	98.6
170.01741	1.9
173.04544	9.3
175.04024	0.9
177.01973	1.3
179.03497	3.8
180.04280	2.8
191.05603	50.9
192.05913	1.7
193.01370	3.6
195.02762	0.7
195.06563	2.3
199.07642	3.3
209.06085	1.1
211.02457	31.7
211.07651	2.6
221.04524	1.2
223.02480	0.8
224.04759	1.1
225.07533	2.2
225.09448	1.0
233.97310	0.8
237.05630	1.9
241.03561	1.2
251.07051	1.3
253.03583	1.7
253.08667	2.4
255.06534	1.9
255.10374	1.0
258.29987	0.8
267.05026	0.9
271.04553	20.5
279.06567	2.9
280.07468	1.5
280.58362	0.8
295.04532	7.9
297.06451	1.3
298.08490	0.9
299.09366	0.8
313.05612	28.1
314.05804	1.0
324.06412	1.3
343.08081	2.0
401.08493	1.6
421.12823	2.7
428.14664	1.8
429.11584	0.8
443.09802	1.6
445.08002	1.1
461.10788	12.3
465.06705	100.0
466.06964	6.0
472.13248	1.2
515.11798	6.8
516.12683	13.7
565.20398	1.7
580.68732	0.9
612.32745	1.6
613.11725	79.0
613.19318	5.5
613.32898	1.8
614.12244	7.2
626.85358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	9.2
58.54863	0.7
59.01374	0.9
61.98832	4.0
66.64936	0.7
68.29942	0.7
68.83527	0.8
69.62035	3.6
70.02982	1.7
71.01386	1.8
72.00914	1.5
74.02470	17.4
78.95895	2.0
81.04578	1.6
82.02998	2.0
82.24573	0.8
84.04523	1.0
86.02477	8.4
86.99107	1.1
87.05627	4.5
89.02419	0.8
90.00187	1.0
96.04575	0.8
96.95998	5.3
96.96964	2.6
97.04070	1.9
99.05636	15.6
101.07206	2.4
102.05626	1.7
107.06161	0.9
109.04078	2.9
112.04077	1.0
120.01239	0.9
120.18243	0.7
123.05682	1.9
124.04077	1.2
125.03550	2.2
127.05142	3.3
128.03542	47.6
129.03900	1.5
135.05652	5.3
137.07269	1.1
141.06711	3.8
143.04625	63.2
144.05003	1.2
145.06158	2.7
146.04591	5.5
151.07629	0.9
153.06725	4.5
160.00731	18.2
161.02448	0.8
166.09814	2.8
167.04652	4.5
167.08241	3.7
170.03372	1.0
171.04131	1.7
171.10265	1.9
177.03386	6.3
179.04617	15.5
180.04782	0.8
181.06137	2.1
185.05653	2.5
191.05571	2.6
192.07771	2.1
197.05667	3.4
197.11850	1.5
199.94778	0.8
210.08841	14.0
223.13441	1.4
228.09801	1.6
242.07773	2.1
254.05127	1.4
254.07799	22.8
272.08865	37.7
273.09268	1.5
288.06604	11.8
289.06857	0.9
306.07642	100.0
307.07932	3.7
378.73657	0.8
511.73254	0.9
612.29150	2.7
613.39917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03447	1.4
58.00583	1.9
59.01376	58.5
60.35876	1.2
63.18498	0.9
64.12346	0.9
69.79396	3.5
71.01377	33.3
72.99301	3.0
73.02931	1.6
77.74303	1.0
83.01379	1.3
85.02959	7.0
87.00906	1.4
89.02441	27.7
95.01394	3.5
98.20617	2.0
99.04516	25.4
101.02441	13.2
111.04538	1.2
113.02452	10.5
115.75937	0.9
119.03514	7.9
135.04485	1.4
146.03793	1.0
161.04575	1.4
171.11821	1.1
177.01785	0.9
189.12836	7.9
191.05608	3.8
207.13884	40.3
208.14221	2.3
209.11774	1.2
233.11714	2.1
251.12869	97.6
252.13147	3.8
269.13962	2.8
303.05106	0.9
305.70175	1.0
308.89999	1.2
387.20020	1.1
389.98785	1.1
431.19174	100.0
432.19568	7.6
449.20041	3.3
611.25592	85.4
612.25885	9.5
620.14075	1.1
627.97339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.1
59.01378	54.7
60.01715	1.0
62.04926	1.0
69.45338	6.9
71.01378	27.9
71.47807	1.0
72.99300	2.8
76.98513	1.0
83.01384	1.6
85.02958	5.2
88.83298	0.9
89.02444	25.1
95.01377	3.6
99.04517	25.6
101.02438	14.4
111.04510	2.2
113.02449	9.0
119.03510	9.9
125.02362	1.1
131.19763	1.0
161.04501	1.1
163.14973	1.1
179.03445	1.0
179.05612	2.2
179.07109	1.4
184.28586	1.1
189.12822	8.3
191.05597	4.6
207.13882	40.6
208.14270	2.1
209.11797	1.3
213.89404	1.2
233.11819	1.9
251.12863	100.0
252.13167	4.6
269.13867	3.6
431.19180	96.5
432.19556	7.2
449.19977	2.4
576.11841	1.0
579.95319	1.0
611.25537	79.2
612.25800	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	611.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94867	3.3
57.42926	3.2
58.00573	3.4
58.54527	3.3
59.01376	70.9
61.98825	27.1
68.71169	3.5
69.03426	4.4
70.02990	3.2
71.01381	59.8
71.53679	3.6
72.99317	5.1
73.02947	10.1
81.03393	3.2
83.01366	9.3
83.05016	3.4
85.02948	24.2
85.89570	3.0
87.00854	11.4
89.02444	51.4
93.03457	64.8
95.01371	4.4
96.95993	3.6
97.02964	4.4
99.00812	3.1
101.02450	40.0
107.04970	5.1
108.02161	6.8
111.04504	3.4
113.02427	26.1
119.03492	31.0
121.02946	38.6
125.02432	29.7
131.03474	4.5
135.04510	22.9
136.01656	3.3
137.02440	69.5
143.03493	6.4
145.67000	3.3
155.03537	4.7
161.02411	7.5
161.04535	11.3
169.01370	5.0
173.04576	8.6
177.01848	4.1
179.03522	25.4
179.05585	17.9
187.07681	16.2
191.05591	100.0
192.05878	4.1
197.06053	6.0
202.06352	5.1
210.11493	3.8
212.70866	3.0
213.09253	4.0
215.07045	3.9
221.06616	13.6
227.07135	40.1
231.10255	8.1
253.92255	3.7
257.08078	4.5
263.07748	6.8
275.09180	21.9
297.25024	4.4
300.99902	4.6
323.09766	31.0
353.08881	24.4
443.11960	26.4
449.14484	19.5
507.28146	8.6
509.37515	4.0
525.29150	7.1
611.20825	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	611.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.9
61.98820	2.0
62.28950	1.3
68.99813	3.3
69.03448	6.6
71.01365	8.0
71.52836	1.8
73.02923	1.9
85.02941	9.4
87.00857	1.5
89.02439	5.1
91.58662	1.6
93.03433	7.1
93.59261	1.3
97.02942	6.3
97.33046	1.3
99.04520	5.8
101.02380	3.3
109.03001	2.0
111.00865	2.9
111.04485	3.2
113.02439	3.9
119.03487	2.5
122.52646	1.5
127.04038	2.3
135.04483	3.7
139.04016	9.3
159.04475	10.2
159.16859	1.8
161.02477	1.5
165.12805	3.5
173.04485	3.6
174.03221	2.4
175.03923	9.4
179.03557	1.6
183.02934	2.4
185.06160	2.0
187.03990	22.5
191.05597	100.0
192.05954	3.5
201.05490	6.1
203.03398	1.9
207.13942	5.9
209.11752	14.3
211.07663	6.7
222.06914	2.2
225.14943	3.0
227.07248	1.8
227.10742	4.4
229.04979	8.1
237.05650	2.0
237.09245	4.1
239.07013	3.3
251.12836	3.5
253.05174	1.5
253.08659	2.5
255.06563	11.1
255.10205	6.8
265.05063	6.2
269.13931	33.5
270.14349	1.6
281.08105	5.5
299.09201	22.1
300.09714	1.8
311.15213	2.1
325.07318	2.8
343.08170	19.8
344.08777	2.1
377.08655	1.8
431.19370	10.2
434.98666	1.8
449.20261	47.4
450.20682	2.7
457.11438	13.1
535.14606	6.4
611.15381	2.9
611.25653	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	611.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88127	0.4
58.00595	0.6
59.01377	17.5
61.98829	7.4
65.00321	0.6
66.85718	0.4
69.03432	0.8
69.31802	3.4
71.01378	14.8
72.73123	0.4
72.99299	0.9
73.02950	3.5
74.18959	0.4
77.37611	0.4
78.95896	0.9
83.01376	0.8
85.02950	2.4
86.00098	0.9
87.00877	6.5
89.02441	15.6
93.03468	1.1
95.04979	0.6
101.02440	8.3
107.01405	0.8
107.05027	4.4
110.80993	0.5
113.02443	2.8
116.12538	0.4
119.03442	0.6
121.02954	100.0
122.03276	2.2
125.02464	1.4
125.06094	1.2
131.03491	9.7
133.06575	0.9
135.04523	1.3
137.02409	0.5
149.04555	5.9
149.70451	0.5
151.00363	3.0
151.07652	3.0
173.04597	0.6
177.05569	0.5
178.99879	1.3
179.03488	0.6
191.05605	10.0
193.08705	0.5
195.06612	2.1
213.07600	1.0
255.10330	2.6
271.02509	0.9
273.11304	7.1
285.04102	1.3
304.69458	0.5
313.03345	0.6
314.04312	2.1
314.30072	0.5
317.10281	28.7
318.10672	1.9
346.03235	3.5
353.08728	0.5
393.13385	0.5
404.07382	0.5
420.08466	2.0
420.30945	0.5
421.09189	2.8
451.23883	0.4
489.16129	4.3
551.27454	1.3
560.34692	0.5
567.14948	3.6
611.19958	48.7
612.20587	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76815	1.4
56.28255	1.3
56.39408	1.4
59.01358	3.4
61.98829	22.0
62.63729	1.3
64.95714	1.6
65.00317	13.7
69.42558	11.2
71.01389	3.3
83.01378	7.3
85.02943	3.3
87.00876	2.3
88.84380	1.7
88.98806	6.3
89.02435	2.6
93.03451	7.4
96.96005	7.3
107.01382	19.9
111.00880	2.2
119.05070	2.0
123.00881	2.0
124.01668	8.0
125.02502	7.2
130.58684	1.3
133.02936	2.0
135.04533	5.0
137.02457	1.5
139.00398	1.6
149.02437	2.1
150.03188	1.5
151.00356	65.9
152.01155	35.3
159.04536	1.6
161.02466	3.7
163.00317	3.6
163.03937	2.9
164.00996	1.9
165.01930	2.0
165.05421	1.9
169.01367	3.0
173.04546	3.8
175.03964	2.2
177.01894	2.5
178.99854	32.5
179.03464	1.9
180.00204	1.6
187.03909	2.1
191.05598	26.3
192.00571	2.7
192.05975	1.9
193.01422	4.2
227.03508	1.7
241.08687	2.9
243.02927	3.6
255.02991	2.0
256.03693	1.9
257.04422	2.3
267.06381	1.7
269.04510	4.7
269.08035	2.0
271.02496	17.2
271.05264	2.2
285.04022	15.0
295.02542	1.6
296.03323	1.7
296.92566	1.6
297.04004	2.6
299.02029	9.5
300.02701	14.0
301.03592	6.9
309.04004	3.5
313.03467	4.4
314.00702	2.6
314.04279	34.4
315.04932	3.2
327.05161	4.2
341.02829	2.0
403.08142	4.2
420.08539	5.1
421.09219	61.2
422.09735	5.7
431.07779	3.1
447.07153	31.4
448.07776	2.1
465.08157	4.9
487.08929	4.0
567.15015	100.0
568.15320	11.2
593.12677	8.3
611.13751	44.5
612.14288	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	611.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77230	0.6
56.76541	0.6
59.01384	3.0
61.98827	6.7
63.02406	1.1
65.00311	2.7
69.50121	1.6
69.50520	4.0
71.01369	2.3
74.02142	0.6
78.76675	0.6
83.01395	1.5
85.02943	1.1
87.00853	1.2
88.98794	4.9
89.02443	2.0
90.16441	0.6
93.03445	1.6
96.95913	0.6
98.20627	1.3
101.02425	1.9
105.81734	0.7
107.01397	6.6
107.05029	1.0
108.02173	1.1
109.02949	2.1
119.05035	0.7
121.02948	19.3
125.02427	1.6
131.03448	0.9
135.04543	1.1
144.95576	0.6
148.01619	1.1
149.02400	0.7
149.04575	1.2
151.00357	26.0
152.01146	0.8
161.02452	1.1
163.00386	4.5
163.03938	0.9
163.29762	0.6
164.01138	1.0
169.01498	0.9
173.04559	0.8
173.06032	0.7
175.03986	0.8
178.99857	12.3
180.00177	0.9
182.53081	0.7
183.04469	1.7
187.03923	1.1
191.05592	5.7
199.03941	1.5
201.02029	0.7
201.05461	0.8
211.03928	1.4
215.03448	0.8
226.02550	1.0
227.03452	3.3
229.05106	1.9
239.03410	0.7
240.04182	0.6
243.02951	7.5
245.04469	2.0
254.02014	1.1
255.02979	20.4
256.03583	1.5
257.04688	1.1
271.02460	39.5
272.02951	2.6
273.03952	2.4
283.02411	2.3
285.04019	1.1
299.01932	6.2
300.02725	80.3
301.03491	78.5
302.03745	4.0
313.03326	4.4
314.04352	2.0
316.02084	0.7
317.10272	3.1
346.03143	2.5
393.77954	0.7
420.08292	1.0
421.09354	3.5
446.08420	0.9
447.09293	100.0
448.09586	8.1
465.08258	12.1
567.14844	2.3
607.04688	0.9
611.13147	23.3
612.13708	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	609.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	15.7
63.40686	9.7
66.24300	9.9
70.06714	26.2
70.07111	31.5
74.82440	10.1
78.95886	24.5
80.96467	12.1
91.14978	10.5
95.31155	10.3
95.56562	10.4
103.07659	10.9
105.18341	9.7
108.99078	10.7
118.58945	12.2
122.86137	10.9
134.29659	10.0
198.50819	10.5
279.23257	100.0
315.31287	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	611.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.7
61.98830	46.5
67.31156	5.0
71.01379	12.3
78.95909	13.9
85.02943	10.3
87.00881	6.9
88.65141	4.7
88.85400	5.5
93.03448	22.3
96.96956	8.8
98.19833	8.6
113.02438	8.3
116.92867	6.2
133.02959	8.4
135.04486	15.4
161.02364	11.6
191.05603	100.0
192.05989	12.4
211.13240	10.9
215.05812	5.2
229.83841	5.2
253.57141	6.7
277.21661	7.6
571.48535	6.5
611.28198	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	611.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98820	0.8
63.02386	0.8
65.00317	0.7
68.26846	0.5
71.01407	0.6
83.01395	0.7
93.03471	1.1
98.20616	1.1
107.01395	1.7
108.02172	0.8
109.02938	3.3
119.05027	18.0
120.05342	0.6
121.02947	2.5
125.02454	0.8
133.02948	0.9
135.00883	0.6
135.04514	0.7
137.02414	0.6
143.05016	0.5
145.03033	0.5
148.01657	0.9
151.00366	5.2
161.02399	1.3
163.00334	1.6
173.04498	0.6
177.01942	2.2
178.99854	3.2
183.04420	0.6
185.06104	0.6
187.03896	1.0
188.01102	1.1
189.01889	1.0
191.05634	4.5
199.03989	1.3
201.05528	0.7
211.04002	2.1
215.03448	1.0
226.02637	2.0
227.03490	2.3
228.04164	0.5
229.05054	2.6
239.03503	0.7
240.04152	0.5
241.04909	1.0
242.02309	0.9
243.03001	9.1
245.04501	0.8
254.02150	2.5
255.02950	8.0
256.03720	0.7
265.79715	0.5
269.04514	3.3
271.02469	35.9
272.02982	2.8
273.03842	0.7
281.04437	1.3
282.01587	0.6
283.02399	4.0
284.03024	0.7
297.04001	3.3
298.04715	1.0
299.01993	8.6
300.02725	51.8
301.03485	35.4
302.03906	1.9
311.02020	0.9
326.04285	9.7
327.05014	7.0
343.04684	0.6
363.08771	1.3
391.08328	1.0
405.05807	0.7
420.08392	2.6
421.09158	0.8
447.09283	100.0
448.09576	7.8
473.10828	20.4
474.11197	1.1
567.14966	1.6
611.13635	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	609.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98823	0.9
67.12537	0.9
71.53734	1.3
85.02918	1.1
94.91295	1.0
95.05029	33.1
106.81115	0.9
150.02960	1.1
168.30980	0.8
179.14410	0.9
189.05322	1.5
191.05606	4.2
195.13878	8.1
205.12361	1.1
211.13380	1.5
223.13383	9.5
246.12334	13.8
256.13058	1.3
275.20145	3.1
278.11349	68.1
279.11746	2.6
293.21225	100.0
294.21588	6.7
315.15848	0.9
315.19382	25.7
316.19754	1.9
359.18115	0.9
435.68900	1.0
447.53043	1.0
529.51489	0.9
609.41309	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	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03445	0.6
58.00600	1.2
59.01377	15.6
61.01205	0.5
61.98545	0.7
61.98831	8.7
69.03453	0.7
71.01382	12.7
72.99293	1.7
73.02943	2.9
78.95898	2.1
83.01389	1.3
85.02947	5.0
87.00871	4.9
89.02440	6.9
93.03419	1.0
94.31889	0.5
94.95073	0.6
95.01424	0.6
95.17285	0.5
96.96018	0.7
96.96930	0.6
97.02928	0.7
97.17412	0.5
99.00879	1.1
101.02433	7.7
109.02930	0.9
111.00854	1.9
113.02427	2.7
115.04012	0.6
119.03486	0.8
124.01596	0.5
125.02451	1.5
131.03484	6.0
135.04527	0.5
137.02435	2.5
141.12830	0.8
149.04625	0.7
151.00298	0.8
152.99561	1.3
153.01982	1.0
163.03935	0.6
171.10280	2.4
181.92903	0.5
191.05635	6.4
209.11845	1.7
211.13335	1.5
279.23245	0.9
297.24246	4.9
313.23862	1.8
315.25372	23.6
315.29086	1.2
316.25787	1.6
387.18060	0.7
412.70850	0.6
459.29547	1.1
477.30762	7.2
478.30972	0.8
609.34924	100.0
610.26050	0.8
610.35345	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	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69718	0.6
58.00584	0.8
59.01375	15.1
61.81077	0.5
61.98829	9.8
63.30692	0.6
70.72294	1.8
71.01379	11.5
72.99307	2.1
73.02944	4.7
75.00890	0.8
78.95909	2.6
79.57267	0.7
80.96512	0.7
83.01387	1.6
85.02957	4.6
87.00892	1.8
88.98792	0.7
89.02448	7.2
93.03436	1.1
95.01378	0.8
96.96975	1.0
97.02937	1.2
98.79749	0.7
99.00883	6.9
101.02431	6.6
108.02172	3.5
109.02961	2.6
111.04549	0.6
113.02418	2.4
115.04058	1.2
119.03486	1.5
125.02457	2.1
131.03532	0.8
137.02429	2.9
138.03314	0.6
141.12827	1.1
152.01123	3.9
152.99580	1.2
153.01889	1.3
155.10869	0.7
160.48914	0.6
171.10258	1.3
171.36584	0.5
178.06419	0.9
191.05617	4.9
192.05817	0.7
193.08759	1.2
205.00850	0.7
209.11755	0.6
211.13422	1.2
255.08562	0.5
279.23364	1.0
284.68845	0.6
297.24246	4.9
300.02567	0.7
303.32065	0.7
311.22299	0.8
313.23828	2.3
315.19882	1.3
315.25363	22.1
316.25735	1.7
387.18054	1.7
459.29657	1.0
477.30692	10.5
478.30841	1.2
592.32391	0.7
609.35077	100.0
610.35461	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40009	0.4
58.86242	0.4
59.01377	100.0
60.01715	1.4
61.98829	2.7
64.53692	0.4
66.46315	0.5
66.90437	0.4
69.36258	3.0
71.01390	1.5
73.02959	0.4
78.91902	0.5
85.02959	1.9
87.00877	1.0
88.22911	0.4
88.76728	0.4
88.98811	0.4
89.02440	0.7
93.03472	2.6
96.96028	0.7
101.02452	1.0
121.02895	0.6
125.02467	1.0
133.02986	1.3
135.04535	2.3
137.02448	0.5
147.04579	1.6
151.00360	0.5
160.01677	0.7
161.02438	3.3
161.04547	0.6
162.02820	1.2
163.03008	0.8
168.00670	0.5
169.01508	0.8
173.02385	0.5
173.04581	1.8
175.04028	2.0
177.02016	0.6
179.03526	1.2
179.07133	0.5
187.04047	1.7
191.05606	11.2
192.05948	0.6
201.01944	1.2
215.07195	1.3
219.03000	3.2
222.05238	0.5
237.61993	0.4
239.07178	0.4
255.02983	0.7
259.02631	0.6
265.05038	0.5
267.06500	0.6
268.07397	1.4
271.02560	0.7
280.07230	0.4
283.09897	0.8
284.06992	0.5
287.48431	0.5
294.05548	0.5
295.06400	0.5
296.06927	0.8
299.01901	0.5
300.03027	0.7
301.03622	0.6
312.06628	0.9
320.03415	0.6
321.11304	0.5
322.08334	0.5
323.09305	1.5
324.06265	0.6
327.08810	2.6
338.04370	1.0
339.08694	5.4
339.12247	0.7
342.11063	4.0
354.11115	1.6
357.13416	15.4
358.13849	1.2
365.10339	0.9
369.13385	16.2
370.14017	1.7
377.06839	0.6
393.08267	1.2
417.09885	0.9
433.07376	0.6
435.11026	1.8
447.14200	1.2
567.48456	0.6
609.16064	13.9
610.16791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56289	0.7
52.79134	0.8
59.01379	100.0
60.01731	0.9
61.98830	7.5
69.17122	1.2
69.17464	8.2
71.01394	4.9
73.02951	1.0
75.00892	0.9
78.95927	3.7
78.98584	1.5
79.95736	2.9
80.96516	14.8
85.02954	2.1
87.00851	1.0
89.02447	1.6
93.03437	1.6
94.55029	0.7
94.61963	0.8
94.98084	3.2
96.56192	0.8
96.96027	1.2
100.20061	0.7
101.02463	2.4
105.03465	1.7
106.98054	0.9
113.02423	1.8
121.02946	1.1
122.97599	1.5
125.02438	1.5
133.02940	5.2
134.97533	1.5
135.04521	2.6
137.02463	7.0
139.01480	0.8
142.56111	0.7
148.99126	1.3
151.00429	0.9
152.62363	0.9
152.98558	1.5
152.99683	1.1
160.05315	0.9
161.02431	8.0
161.04471	1.0
163.03914	0.8
164.04756	0.9
164.98601	2.8
175.07623	7.9
176.08400	5.8
177.01927	31.8
178.06375	1.0
191.05644	5.0
191.10693	2.9
197.11703	1.0
206.99561	1.1
211.13322	2.0
225.00688	3.9
271.02313	2.1
299.01678	3.5
300.02612	1.0
313.23666	1.1
315.29547	0.9
372.15933	4.3
387.18118	39.2
388.18311	3.3
399.08716	0.8
445.07602	1.5
446.08032	1.1
463.10077	0.8
484.35944	0.9
609.25684	30.3
610.25653	3.9
636.62598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98830	2.0
67.01902	0.7
69.03458	1.6
70.43871	1.2
71.01399	0.6
78.95915	1.1
79.01881	0.4
81.03476	1.2
93.03464	0.4
95.01393	1.3
96.96029	0.8
96.96935	0.4
97.02953	1.5
104.78876	0.4
107.01356	0.4
123.00889	2.6
124.01665	5.2
125.02445	84.2
126.02760	1.9
137.02454	0.4
139.00385	0.9
166.99928	0.9
167.03467	0.6
168.00623	8.2
169.01418	100.0
170.01755	3.0
191.05588	0.5
195.13841	0.4
209.11797	0.4
210.74313	0.4
211.02492	0.5
313.05615	1.6
331.06729	1.4
349.49362	0.4
476.70917	0.4
532.80298	0.4
545.65985	0.4
607.27570	62.8
608.27942	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1447
Annotation	Rutine
Peak:m/z	Relative Intensity
53.69168	1.1
54.73248	1.1
56.02547	1.2
59.01357	1.8
62.57253	1.3
70.40334	1.3
71.01387	2.1
71.52945	1.8
76.80697	1.7
85.02950	2.7
88.35764	1.4
89.02404	1.4
93.03474	3.5
95.01418	2.1
96.95988	1.8
107.01371	3.0
113.02472	1.4
121.02901	1.4
125.02354	1.7
125.23872	1.5
151.00352	11.1
159.04495	1.5
172.86061	1.2
178.99852	2.7
191.05602	13.8
199.04025	2.7
205.04202	1.4
215.03543	2.2
227.03355	3.0
243.02829	6.2
249.77287	1.4
255.02965	4.6
271.02457	60.1
272.02914	3.0
283.02362	2.6
285.03952	2.0
290.27182	1.3
299.01938	99.5
300.02609	18.5
301.03497	78.9
302.03928	4.0
313.03217	1.8
343.04721	2.1
440.52573	1.5
447.09271	17.2
448.09729	1.8
462.07928	29.4
463.08783	33.3
464.09332	2.9
489.10287	1.9
609.14551	100.0
610.14996	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	609.1449
Annotation	Cyanin
Peak:m/z	Relative Intensity
57.02237	0.8
59.01372	1.5
61.98820	1.0
63.02396	1.0
65.00315	1.4
69.30869	0.9
69.31268	5.8
70.35783	0.6
71.01361	1.3
83.01414	0.7
85.02962	1.1
87.00868	0.7
93.03452	1.0
96.96013	1.2
101.02421	0.9
107.01402	4.3
108.02173	2.5
109.02953	2.3
113.02454	0.8
121.02934	1.3
125.02513	0.8
130.60210	0.7
135.00882	1.0
137.02426	0.9
139.04054	0.8
141.22800	0.7
143.89568	0.6
144.61935	0.8
148.01677	1.2
151.00352	12.3
163.00377	3.3
178.99849	5.8
187.04002	1.2
188.34683	0.8
188.36391	0.7
191.05612	3.0
211.03970	1.4
226.02721	0.8
227.00333	0.8
227.03426	3.1
243.02989	8.6
245.04636	1.9
254.02159	2.4
255.02956	25.1
256.03351	2.0
271.02466	50.1
272.02838	3.9
273.03943	1.0
283.02496	1.0
299.01984	1.2
300.02728	87.5
301.03458	38.3
302.03937	2.2
343.04684	0.8
379.96222	0.8
447.08997	4.2
521.17096	0.8
549.29303	3.8
598.51556	0.8
609.14563	100.0
610.14630	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03412	1.0
58.00589	1.9
59.01381	34.9
60.01698	0.8
61.12543	0.7
61.98822	4.2
69.03460	0.9
71.01381	22.4
72.20464	0.7
72.99310	1.5
73.02946	11.6
75.00860	1.0
78.95901	18.3
83.01376	1.6
85.02940	3.6
87.00848	2.0
89.02448	25.9
93.03439	0.7
95.01386	0.9
96.95998	2.0
96.96938	1.0
97.02907	0.9
99.00878	20.1
99.81116	0.8
101.02437	13.1
111.08167	1.3
113.02483	4.0
119.03545	1.3
125.02421	1.5
131.03540	4.3
135.04494	0.7
149.04541	5.6
152.99561	2.3
161.04451	0.8
191.05606	8.0
197.11806	2.4
209.12006	0.8
211.13487	0.8
232.94902	0.6
238.00276	0.7
251.07631	0.9
309.20572	1.4
327.21658	1.7
469.28748	0.9
473.27502	2.0
509.10608	0.8
545.29840	2.5
587.30682	4.6
587.38635	0.8
605.24615	4.9
605.31763	100.0
606.23560	1.3
606.32184	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	607.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57284	0.6
53.65841	0.5
59.01384	4.0
59.60085	0.5
61.98826	0.7
62.09370	0.5
69.18227	0.6
69.18549	6.2
69.47327	0.5
71.01365	3.9
78.09557	0.5
83.01381	0.8
85.02955	1.8
88.98785	0.6
89.02460	2.2
93.03448	0.8
99.00881	1.2
101.02434	2.9
101.90395	0.7
102.98645	1.0
107.04990	0.7
109.02931	0.7
113.02457	0.9
117.03445	1.3
119.03539	0.8
121.05031	1.0
125.02446	1.1
132.02135	0.9
133.02956	29.8
134.03822	2.6
135.04521	35.0
136.04868	0.9
137.02437	0.7
161.02435	100.0
162.02805	2.2
169.01389	0.9
170.41649	0.6
175.41655	0.5
179.03491	22.5
185.88312	0.6
191.03865	0.8
191.05592	4.7
281.06567	0.7
283.04556	0.6
325.12167	0.6
427.12329	2.1
445.13480	58.4
446.13763	3.9
501.19669	0.6
547.27325	2.2
607.16589	34.4
608.17023	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	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01379	1.1
59.39670	0.8
69.03449	3.4
70.56590	0.9
70.93726	0.8
72.48802	0.8
78.95881	2.0
83.01402	2.3
95.01388	2.8
97.02953	2.0
102.61176	0.9
107.01373	2.7
123.00873	10.9
124.01667	32.2
125.02441	41.8
137.02420	2.6
149.99585	30.5
151.00349	6.7
166.99919	1.0
168.00635	60.1
169.01392	11.6
209.11819	2.1
261.89063	1.0
285.95447	1.0
313.05618	1.4
411.77725	0.9
607.27539	100.0
608.27960	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	605.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
59.01382	3.8
61.98827	26.0
65.25427	0.4
67.01864	0.4
69.03468	2.3
70.53154	0.8
70.53505	1.2
71.01378	5.8
72.99288	0.5
73.02943	1.8
73.03304	0.4
78.95906	1.6
81.03459	1.1
83.01370	0.6
85.02942	2.3
87.00857	0.5
88.98803	1.9
89.02444	2.0
93.03451	0.4
95.01402	1.3
97.02955	2.0
99.00867	1.0
101.02453	3.8
109.13892	0.4
111.00820	0.5
113.02448	1.8
116.13125	0.4
119.03524	0.4
123.00884	1.7
124.01648	4.5
125.02441	81.0
126.02777	1.3
126.67660	0.4
135.04538	0.6
137.02515	0.5
139.00336	1.0
147.04572	0.7
152.99620	0.5
161.04558	1.8
165.12849	0.4
166.99832	0.8
167.03455	0.8
168.00621	8.8
169.01410	100.0
170.01759	2.4
179.05479	0.5
191.05637	0.5
201.75449	0.4
207.10262	0.5
211.02473	0.7
291.19681	0.7
313.05682	2.1
331.06631	2.6
383.24515	1.0
545.29669	5.4
546.29736	0.9
564.96802	0.5
605.25983	64.7
606.26184	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.0
58.76719	0.5
59.01378	26.3
61.98823	2.2
71.01379	21.3
72.99312	1.7
73.02943	9.2
78.95899	1.6
83.01378	1.0
85.02943	3.4
87.00867	1.7
89.02441	23.2
94.25035	0.6
98.20694	0.8
99.00878	20.8
99.35650	0.5
101.02447	10.1
113.02459	3.2
119.03487	0.8
124.69769	0.5
125.02441	1.6
131.03500	4.7
137.15086	0.5
149.04559	4.3
155.26379	0.6
161.04520	0.9
183.13918	3.5
191.05612	5.8
275.20059	1.0
293.21271	4.1
311.22180	2.7
321.94095	0.6
336.39716	0.6
432.54016	0.5
436.59973	0.6
462.79846	0.5
473.27499	1.9
592.17010	0.6
605.31763	100.0
606.32104	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	605.2402
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
65.49817	0.4
65.51945	0.3
69.55519	1.7
72.13649	0.3
78.95911	0.5
115.67071	0.3
125.63116	0.4
145.02895	0.5
149.54012	0.3
158.88373	0.4
207.01855	0.3
224.88371	0.3
254.37161	0.4
338.13129	0.5
415.15366	1.1
416.16119	0.5
429.17108	1.0
430.17987	1.2
443.18954	0.8
456.15717	0.4
457.20755	1.7
458.20959	0.6
459.17621	3.1
469.21017	0.4
470.21832	0.7
471.17606	1.8
472.18631	0.6
473.19681	4.6
474.20502	0.8
475.21173	0.5
485.18518	1.7
485.23386	1.3
486.20914	4.3
487.21100	1.0
496.19174	0.6
499.17548	2.4
500.17639	0.4
501.22714	3.0
502.19543	0.5
503.20630	0.5
511.21664	2.5
512.21667	0.4
513.19409	2.5
514.19940	8.4
515.20502	0.9
517.18518	1.0
518.19476	1.7
528.21637	0.6
529.22400	100.0
530.22675	12.9
532.21088	2.1
533.22150	2.2
561.24615	1.0
573.21674	0.9
605.23560	2.1
605.39227	0.5
605.74506	0.5
606.24292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2592
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
53.05210	0.5
59.01382	0.9
61.98826	1.1
69.03458	3.7
69.33626	3.9
71.01353	1.6
75.00867	0.8
78.95900	6.4
79.01882	0.9
81.03446	1.8
83.01373	1.5
83.05028	0.6
85.02944	0.8
87.00876	0.5
93.03462	0.5
93.43754	0.5
94.44060	0.5
95.01375	2.2
96.96949	0.8
97.02962	3.5
100.81780	0.5
107.01369	1.7
108.02169	1.4
109.02925	1.8
113.02419	0.6
121.02914	0.8
121.10215	0.5
122.03750	2.8
123.00884	8.1
123.04538	2.3
124.01659	21.4
125.02443	53.4
126.02752	1.6
136.01656	0.7
137.02437	2.8
149.99580	33.0
151.00398	2.5
152.99561	4.6
165.12834	1.0
167.03506	0.8
168.00633	52.9
169.01407	5.5
171.10236	1.4
191.05609	0.6
209.11804	9.3
227.12921	1.0
274.27887	0.6
275.20093	1.3
291.19632	1.1
293.21146	1.5
309.60504	0.5
313.05795	0.6
363.12198	3.3
381.13171	0.7
395.14590	0.8
573.24750	2.4
587.25562	1.3
605.25970	100.0
606.26288	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	18.2
86.65421	2.8
87.00871	2.9
88.00404	12.3
88.98801	100.0
89.02441	95.2
94.14378	2.4
104.15552	3.3
104.99084	2.9
110.27680	2.7
119.73547	2.8
246.87016	3.2
249.56641	2.6
346.53452	3.6
346.57919	3.2
399.01324	3.4
474.22070	3.0
498.85025	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	605.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38287	2.0
59.01356	3.0
60.99290	2.4
71.01373	2.7
77.34066	2.0
78.95885	5.9
85.02935	6.7
88.98798	17.2
93.03442	4.7
96.96014	15.1
96.96937	10.2
98.20690	3.9
111.04536	2.4
128.91232	2.0
129.38820	1.9
135.04529	40.3
137.02547	2.1
155.03444	2.9
161.02431	6.1
173.04524	4.4
179.03485	48.4
180.03926	2.6
191.05597	99.7
297.92322	2.3
353.08746	100.0
354.09012	6.3
515.12006	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47177	0.6
59.01390	1.1
61.98834	3.4
70.35882	1.4
78.95918	1.2
85.02906	0.7
93.03448	4.9
107.01378	0.6
108.02202	0.6
109.02945	0.8
119.01385	1.1
121.02950	8.3
122.03746	13.7
123.04562	1.0
125.02432	1.9
133.02921	1.5
135.04477	3.5
136.01639	1.5
137.02464	2.3
147.00822	0.9
149.02431	26.6
150.03220	93.9
151.00423	0.9
151.03735	2.8
161.02437	2.2
162.02827	1.5
164.01219	0.7
164.04776	6.0
165.01936	9.3
165.05557	100.0
166.06342	13.6
166.95613	0.7
167.07111	1.1
169.01457	1.6
175.03976	0.9
177.01907	0.7
179.03517	7.9
180.04286	12.7
181.05063	10.3
181.08662	7.0
191.05605	2.9
194.05835	1.7
195.06610	92.9
196.07318	8.8
197.08131	2.2
211.09711	6.5
225.07655	5.2
269.08203	1.2
284.70529	0.8
301.10751	1.3
313.10675	1.3
329.10254	9.9
343.11786	8.4
344.12567	9.5
345.12939	0.7
359.14963	33.5
360.15253	2.3
373.12775	2.7
383.02536	0.8
407.17041	2.8
421.14960	1.5
447.89175	0.7
540.18243	1.7
555.22333	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	603.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55791	0.8
59.01368	0.9
59.49910	1.0
61.98838	2.7
67.01865	0.9
69.35366	0.9
69.37678	6.7
71.04726	0.9
72.87424	0.8
78.77876	0.8
79.33755	0.9
92.95008	0.9
93.03458	5.8
96.96016	2.1
96.97002	1.1
108.66156	0.9
109.02951	1.5
119.01407	1.2
121.02946	21.8
122.03743	14.8
125.02441	1.9
132.02173	1.1
133.02960	3.1
134.03761	1.3
135.04506	3.1
136.01680	2.6
137.02403	4.5
147.00946	1.1
147.04471	1.2
148.01689	1.2
149.02432	40.8
149.06067	0.9
150.03220	98.0
151.03668	2.9
157.81067	1.0
161.02419	2.2
164.04788	10.8
165.01923	15.4
165.05562	100.0
166.06345	64.0
167.07008	3.6
169.01396	2.0
177.05580	1.4
179.03494	12.2
179.07097	2.2
180.04257	15.9
181.05029	1.3
181.08696	33.9
182.08984	1.3
191.03711	4.9
191.05490	5.2
194.05855	4.0
195.06610	93.5
196.07028	2.7
205.05061	1.7
210.05394	1.9
225.07693	9.4
253.05035	1.0
285.07260	1.0
297.07529	1.1
299.09204	1.2
300.09964	1.4
301.10837	3.2
315.08957	1.1
328.09335	1.0
329.10233	12.9
343.11813	5.9
344.12613	11.3
348.43445	1.1
358.10602	1.2
359.14987	41.0
360.15384	2.7
373.12897	54.3
374.13184	3.6
407.17004	4.5
421.14938	7.3
540.14069	1.0
555.22357	17.6
556.22589	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	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37892	0.3
55.53341	0.3
61.98828	100.0
69.30133	1.6
69.30568	0.9
76.17222	0.3
78.46264	0.3
80.53261	0.3
91.72767	0.3
96.91126	0.3
98.20599	0.6
117.54361	0.3
128.46413	0.3
178.19055	0.4
317.40378	0.3
535.93512	0.3
623.20953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23641	0.2
61.98827	0.6
69.53263	0.5
69.53677	1.0
72.19594	0.2
72.99709	0.2
79.95736	3.0
85.02953	0.7
86.70536	0.2
93.03463	0.5
95.85155	0.3
96.96008	100.0
97.02923	0.5
107.01380	1.4
125.02436	4.1
126.35364	0.2
126.57734	0.2
149.09576	0.3
161.02417	0.2
163.03926	0.3
169.01424	10.1
170.01811	0.3
173.04526	0.4
173.78204	0.2
181.05086	0.3
191.05598	9.1
192.05980	0.3
211.06099	0.4
253.87939	0.3
343.06671	9.8
353.08731	0.4
505.09790	3.0
516.12903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44438	0.9
59.01375	15.9
61.98826	19.6
63.98344	0.8
66.84481	0.9
69.03452	35.3
70.81180	1.7
70.81527	0.9
71.01362	1.7
79.95715	2.6
85.02945	2.0
88.12975	0.8
93.03461	4.5
95.05030	6.9
96.64269	1.0
96.96008	100.0
100.66798	0.8
107.01372	1.7
109.02958	1.0
113.02464	1.4
119.04968	1.1
123.00859	1.4
123.04491	1.6
125.02435	16.6
127.51163	0.8
131.77686	0.8
135.04494	1.4
137.02414	2.9
139.04048	1.0
139.07585	0.9
145.02933	1.0
146.23686	0.8
151.00391	1.9
161.02449	0.8
163.03961	0.9
165.01912	1.5
165.05556	3.8
165.33704	0.8
168.00691	0.9
169.01424	21.0
173.04523	1.2
179.03409	1.5
180.04111	0.9
183.06584	7.3
191.03749	1.6
191.05598	20.5
195.06520	1.3
207.02960	0.8
211.02373	2.4
211.85237	0.8
267.52750	0.9
295.04544	0.9
313.05603	2.7
313.11734	1.0
343.06668	9.1
353.08926	1.6
374.86285	1.0
433.07816	7.8
434.08224	1.1
465.06686	6.1
505.09756	2.8
603.09882	5.7
603.18713	1.5
604.10559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.7
60.79185	2.6
61.98830	100.0
66.65556	2.4
71.01382	17.6
71.54339	3.4
78.95895	7.2
85.02937	8.0
87.00861	4.4
89.02449	21.3
90.07941	2.7
93.03467	3.7
95.17076	2.6
95.75685	3.0
95.84560	2.9
96.96014	29.4
96.96945	8.1
101.02424	8.0
109.02941	4.2
113.02451	7.6
115.55903	2.8
119.03497	10.0
123.00886	3.2
125.02405	3.1
134.03673	6.7
135.04532	57.9
136.04767	2.5
146.88985	2.9
150.03191	3.3
161.02441	18.4
165.05525	4.3
166.06248	2.9
169.01442	5.5
173.04541	5.3
177.05574	4.0
179.03499	54.2
179.05620	8.9
180.03920	3.4
181.05013	3.7
191.05615	37.1
192.05904	3.6
197.08171	4.9
265.07025	2.7
315.08661	3.6
315.12326	59.8
316.12650	4.5
341.08887	2.8
343.06534	3.3
359.11386	6.3
377.14474	49.6
427.80154	2.7
539.17615	38.7
540.18024	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	601.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21102	0.8
50.81562	0.8
56.77878	1.0
57.03442	2.2
57.41295	0.8
59.01375	3.0
59.84953	0.9
69.03428	1.4
70.07166	1.9
70.07557	2.3
81.03456	2.3
83.05016	1.9
95.05006	3.3
95.82659	0.9
95.83282	0.9
97.02939	2.4
97.06584	2.3
99.62131	0.8
109.06591	1.7
111.08159	0.9
115.80539	0.8
121.06612	2.0
123.04525	3.8
123.08137	3.0
125.09737	7.2
135.08124	3.6
137.09743	4.1
140.04776	0.9
141.05559	3.5
141.09196	1.5
147.08047	0.9
149.06059	1.3
149.09691	1.1
151.11328	1.9
153.09209	10.1
163.07668	1.3
163.11272	6.5
164.73383	0.9
165.09111	1.0
165.12857	1.7
167.10750	1.2
171.10275	14.8
177.12848	1.7
179.10773	1.8
179.14352	0.9
181.12263	2.1
185.11842	9.2
190.31525	0.8
191.10812	1.3
191.14378	10.1
192.14703	1.1
195.13869	6.0
197.11789	7.1
207.10234	3.9
209.11815	9.3
211.13351	2.7
217.15981	0.9
223.13377	4.6
225.11284	3.8
226.12073	0.9
241.10750	4.0
243.17488	1.1
245.19064	22.4
246.19382	1.1
256.13095	1.1
261.18402	1.1
263.19955	1.2
271.17032	1.9
275.20090	2.6
287.16675	1.0
289.18063	87.9
290.18500	6.3
291.19937	4.3
293.21207	51.5
294.21530	3.6
307.19122	100.0
308.19394	8.1
309.20599	5.6
310.21094	1.5
325.20166	26.5
326.20410	2.3
485.32608	1.7
503.33600	1.8
565.38855	4.0
578.51410	1.0
583.39801	7.3
584.40381	1.2
601.41296	5.9
602.41254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.01350	0.8
61.76549	0.5
66.86492	0.4
71.01388	0.5
97.06561	0.5
98.20693	0.8
109.06577	0.9
111.08156	2.4
124.36475	0.6
125.09708	1.2
127.11298	1.3
151.11282	1.7
153.09206	0.6
153.12817	3.9
155.10757	0.7
163.11189	0.9
165.12889	0.9
167.10739	1.1
177.12915	0.6
179.10670	0.5
179.14389	2.1
181.12350	3.3
186.45351	0.5
197.11806	3.0
199.13388	1.2
207.13890	1.8
209.11874	1.2
211.13391	0.9
215.12852	0.8
227.12881	1.3
228.13460	0.7
247.20667	4.9
263.20270	0.6
265.21667	0.7
273.18475	2.6
281.21188	1.5
291.19656	32.3
292.19998	2.1
304.83560	0.5
305.17523	1.6
309.20697	100.0
310.21118	6.6
310.61856	0.5
329.55597	0.5
350.95361	0.6
401.19778	0.6
502.09021	0.5
583.40033	6.9
584.40527	0.8
601.41187	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01368	0.8
60.64951	0.6
61.98846	0.7
62.44915	0.6
79.77138	0.7
83.05005	0.8
95.05006	0.7
103.53238	0.6
109.06596	0.7
111.08152	4.7
113.09706	0.8
125.09673	1.2
127.07610	1.0
127.11253	1.1
142.50529	0.7
151.11244	1.5
153.09155	1.0
153.12840	2.6
155.10800	0.7
163.11270	1.1
165.12860	1.6
167.10785	1.2
169.12329	1.9
171.10301	1.0
179.14420	1.9
181.12321	3.5
197.11827	18.9
199.13321	1.5
207.10345	0.9
207.13873	1.5
211.13364	2.6
215.13028	0.9
227.12770	1.4
245.48723	0.7
247.20686	4.3
254.06895	0.8
263.20148	1.9
265.21555	0.7
273.18542	1.8
289.18176	4.4
291.19659	32.4
292.19925	1.5
293.21249	2.3
307.19135	3.3
309.20688	100.0
310.20996	5.9
325.20230	1.8
368.98822	0.7
448.13617	0.7
471.31052	0.9
583.39862	5.5
601.40698	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	601.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22567	0.3
57.03442	0.8
59.01368	0.5
69.03455	0.5
71.01376	0.4
82.38357	0.3
83.05033	0.4
93.07047	0.3
97.06586	0.9
111.08136	1.0
113.09716	0.6
123.00853	0.4
123.08128	0.5
125.06067	0.5
125.09732	0.4
127.07668	0.7
127.11291	0.9
137.09801	0.4
138.57961	0.3
141.09225	1.0
151.11278	1.2
151.41428	0.4
153.09279	0.4
153.12892	1.8
155.10793	0.7
163.11366	0.3
165.12827	1.7
166.10040	0.3
167.10762	1.1
167.14326	0.5
168.36971	0.3
169.12254	0.6
177.12863	0.5
179.10751	0.7
179.14407	1.3
181.12381	2.6
183.13890	0.6
193.12349	0.4
195.13899	1.0
197.11807	1.8
199.13345	0.8
207.13902	1.0
211.13463	2.1
215.12834	1.0
217.15872	0.4
221.15469	0.5
227.12910	0.6
240.13708	0.5
241.14392	0.3
247.20674	4.7
263.20126	1.0
265.21814	0.3
273.18491	2.1
281.21179	1.2
291.19632	30.7
292.20081	1.6
307.19217	0.4
309.20679	100.0
310.21027	5.0
483.53223	0.3
491.33899	0.7
583.39990	4.6
584.40515	0.5
601.40991	2.9
602.40588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08692	0.6
55.12785	0.6
59.01379	6.6
61.98827	55.6
65.30354	0.7
69.03454	10.5
69.21877	1.4
69.22296	4.5
71.01384	3.4
81.03458	0.6
86.18559	0.6
88.71314	0.7
89.02444	2.8
89.03983	0.7
95.05012	1.1
98.19861	1.0
99.04533	0.7
101.02438	1.6
105.03456	0.8
107.05028	1.0
110.69069	0.6
113.02438	0.8
121.06572	2.0
132.02191	1.7
133.02954	20.6
134.03729	3.5
135.04523	52.9
136.04819	1.6
148.03865	0.6
151.07643	2.8
153.31969	0.7
161.02435	100.0
162.02771	3.1
179.03487	43.7
180.03853	0.9
192.44566	0.7
195.06599	1.6
199.38104	0.6
209.08208	0.9
261.07770	0.8
261.42715	0.7
269.24521	0.6
331.11838	2.3
355.48648	0.7
375.12994	13.6
537.16089	44.6
538.16522	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	600.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81007	0.2
59.01376	0.2
60.70225	0.2
61.98829	100.0
69.03443	0.3
76.77347	0.2
85.02980	0.6
86.64321	0.2
93.03487	0.8
96.96008	0.6
110.71265	0.2
115.00131	0.2
125.02445	0.6
135.04597	0.5
150.03226	1.1
153.01981	0.6
154.48579	0.2
161.02512	0.8
165.05620	1.0
169.01456	0.4
172.74593	0.3
176.04794	0.4
179.03566	0.9
180.04335	0.3
191.05585	3.6
194.05890	0.7
195.06691	0.6
209.08195	1.6
249.31126	0.3
343.11865	0.7
363.45981	0.3
383.67819	0.2
434.04501	0.2
446.07916	0.3
448.09955	0.3
553.21533	0.4
582.23126	0.5
600.20728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98829	100.0
66.91727	0.2
69.44691	0.1
71.53539	0.3
78.95885	0.2
85.02950	0.2
96.96009	0.2
103.34562	0.2
110.66528	0.1
111.87466	0.2
135.04565	0.2
144.88101	0.2
150.03249	0.2
165.05579	0.4
169.01402	0.2
171.60504	0.2
191.05556	1.3
193.35735	0.2
199.09586	0.2
242.19780	0.2
249.89975	0.2
382.08975	0.2
405.83960	0.2
434.32211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19674	1.5
56.66854	1.4
61.98829	100.0
63.09008	1.6
64.02061	1.6
70.83790	4.0
70.84148	2.5
78.95900	1.7
82.96358	1.5
152.99570	2.3
255.23109	2.2
493.73300	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	601.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21284	2.9
58.33371	3.3
59.01075	3.5
59.01376	57.6
66.67349	3.2
69.03452	100.0
69.30862	24.4
69.31271	6.4
71.24961	3.3
78.95904	35.2
81.14267	3.2
95.05025	25.2
96.96008	29.2
96.96957	55.8
98.20774	5.9
120.81422	3.4
121.62717	3.2
139.07661	5.9
164.55164	3.1
165.05563	17.7
183.06616	37.1
241.53801	3.2
259.02115	7.0
259.08145	5.7
285.31567	3.4
400.30386	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	601.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49009	1.7
55.80386	1.4
59.01377	45.7
69.03454	100.0
69.91225	6.5
70.03802	1.6
70.32496	1.5
74.50459	1.6
78.95898	8.5
80.90247	1.6
95.05027	24.7
96.96020	8.1
96.96961	13.0
97.02905	2.4
98.20580	2.4
113.02431	3.3
121.06612	2.7
133.22762	1.7
135.04564	1.8
139.07645	3.2
143.17690	1.5
150.90269	1.9
165.05559	15.7
183.06606	37.0
191.05673	8.5
225.19774	1.6
259.02145	3.4
259.08160	1.9
306.91107	1.8
433.70554	1.7
491.13467	1.7
601.14838	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	599.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.5
59.01389	4.2
61.98837	3.7
63.97161	2.9
71.52705	3.4
78.95921	11.0
83.05035	3.7
97.06588	3.9
100.54756	3.2
106.81831	2.6
110.77068	2.9
111.08125	3.6
123.04543	3.5
125.09705	6.6
152.99628	8.0
153.12822	4.0
163.11351	3.4
167.10924	3.5
181.12317	6.2
191.05746	3.3
191.14290	3.1
197.11826	8.6
209.11795	19.0
215.01474	3.4
218.45226	3.1
227.42216	3.0
245.19196	4.5
247.20631	5.3
280.19275	2.9
283.26453	4.4
289.18188	17.6
291.19635	42.2
307.19073	17.4
309.20663	100.0
310.21182	7.3
331.55109	4.2
358.96109	2.8
483.31390	5.8
501.32330	14.1
581.38593	8.6
599.31781	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	599.395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00761	0.4
54.56707	0.4
57.03460	2.1
59.01378	2.1
61.98825	0.6
65.61709	0.4
70.10606	0.9
70.10986	1.4
71.01389	0.5
78.95929	0.6
80.02702	0.5
81.03453	1.2
83.05042	0.6
93.03426	0.7
95.05014	0.7
97.02940	1.0
97.06570	1.1
109.06573	1.4
111.08159	1.4
119.08586	0.5
121.06593	0.6
123.04493	1.2
123.08173	0.9
125.06120	0.4
125.09715	2.7
125.10497	0.4
127.11320	0.8
129.09215	0.6
135.08179	0.9
137.06068	0.8
137.09695	1.6
141.09221	0.5
141.12839	0.7
151.11275	1.5
152.99550	0.6
153.09212	1.0
153.12843	3.1
155.10840	0.8
161.09709	0.5
163.11288	4.6
165.12811	1.6
167.10742	1.0
169.12306	0.7
171.10283	0.5
177.12781	0.9
179.10800	0.9
179.14389	1.6
181.12373	3.2
185.11751	3.3
191.05638	1.4
191.14401	3.4
197.11842	3.9
199.13327	0.7
207.10240	2.4
207.13820	1.1
209.11829	2.5
211.13397	0.5
215.12820	0.8
217.15953	0.9
225.11237	1.8
227.12830	1.1
228.13641	0.7
243.17564	0.5
245.19072	6.9
246.19414	0.8
247.20596	4.8
263.20111	0.5
271.17023	0.9
273.18594	2.1
281.21100	1.0
289.18082	26.3
290.18451	1.7
291.19647	31.7
292.19962	1.5
305.17584	2.3
307.19135	20.8
308.19464	1.2
309.20685	100.0
310.21024	5.8
323.18628	1.6
335.22165	0.5
396.06525	0.5
441.30161	0.5
480.33337	0.4
519.38538	0.6
563.37238	3.1
581.38495	4.6
582.38928	0.9
599.39758	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	63.0
61.98835	25.8
67.01866	4.9
69.03455	100.0
71.01065	1.9
71.01380	19.7
71.54249	4.2
73.02937	5.1
74.02470	4.7
83.04975	2.3
85.02940	10.3
87.00866	3.1
89.02435	19.6
93.03434	6.5
95.01324	2.4
95.05018	25.8
96.05362	2.3
99.05643	2.4
101.02441	11.9
106.04210	3.0
108.02161	4.4
111.04504	2.7
111.08141	3.1
113.02406	9.9
114.90896	2.3
119.03473	6.9
121.02970	12.0
121.05849	2.1
121.06600	27.2
123.04507	7.7
125.02397	4.7
128.03543	14.3
135.04475	3.5
139.00336	8.5
139.03975	2.8
139.07614	6.5
143.04631	13.1
144.05031	2.8
151.03981	2.9
152.01132	2.4
160.00687	3.8
161.04535	4.1
163.03983	2.7
165.01878	2.6
165.05544	14.3
165.12842	21.1
166.09950	2.4
166.54153	2.1
169.01468	2.3
171.10265	45.3
173.04518	3.3
179.03424	7.8
183.06577	7.0
183.10175	3.6
183.12433	2.5
183.13882	30.8
184.58493	1.9
187.72737	1.9
191.04005	3.0
191.05580	37.3
194.05792	6.1
195.06555	3.6
197.15382	5.4
207.13895	3.5
209.04442	6.9
209.08139	7.7
209.11790	36.9
210.08720	2.9
227.12881	37.3
228.13225	2.3
251.12793	8.1
254.07784	6.6
272.08710	6.8
273.09097	4.6
288.06644	2.6
293.13913	4.4
306.07675	25.3
307.07916	13.9
329.16171	3.5
345.11832	43.4
346.12115	3.2
363.21756	3.2
389.11029	13.7
389.18149	3.1
441.21454	3.1
444.09753	2.2
555.24402	41.9
556.24628	5.8
581.21680	3.3
599.23279	74.7
599.33655	6.3
600.23376	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	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90459	2.6
58.00594	3.1
58.63541	3.1
59.01376	100.0
61.98826	10.4
62.22563	3.0
69.03474	5.1
71.01381	61.3
71.52858	3.2
71.53249	4.0
78.10663	2.7
79.14858	3.0
81.81628	2.9
85.02962	13.9
87.00887	6.0
89.02443	90.0
95.01417	4.3
97.02942	12.6
101.02442	24.0
113.02472	25.0
119.03507	29.6
131.03514	6.2
142.30330	3.0
143.03482	7.5
149.02423	3.8
155.59673	2.8
161.02415	3.3
161.04562	9.4
179.00041	2.9
179.05606	41.8
179.07039	5.6
191.05591	28.0
211.06052	6.4
306.69189	3.4
329.13885	3.3
359.14941	4.9
368.88126	3.0
428.42523	3.2
537.16467	3.7
539.32159	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	599.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66107	0.9
59.01369	1.3
62.25695	1.1
69.56953	6.8
71.05036	1.5
80.02689	1.6
83.05024	5.2
95.04980	1.7
97.06586	1.9
98.19898	2.1
107.05039	7.9
109.06576	3.1
121.02942	1.2
123.04556	1.5
123.08157	3.2
125.02452	1.9
125.06084	2.1
125.09741	8.9
126.10126	1.1
135.04498	1.2
135.08136	6.1
152.60411	1.0
152.99580	1.7
153.09259	8.1
163.11288	4.6
165.12831	3.0
176.08386	1.9
178.09984	2.3
181.12300	1.8
185.11826	9.3
187.09708	1.3
191.05577	1.3
191.10715	2.2
197.11824	8.8
207.10252	3.9
209.11807	68.9
210.12082	2.5
211.13322	2.2
225.11264	6.7
227.12978	1.0
236.10524	1.5
243.17543	2.9
245.15675	1.3
247.34727	1.0
261.18564	4.2
277.18237	1.2
279.19650	1.6
287.16476	9.6
289.18195	1.7
291.19653	2.5
293.21301	11.3
305.17569	100.0
306.17957	7.0
307.18921	3.3
309.20816	4.3
323.18604	45.6
323.22464	1.3
324.18918	2.9
383.25775	1.5
411.29089	3.8
429.29837	1.7
485.32675	2.4
563.37250	3.4
581.38422	29.3
582.38483	3.1
599.31445	2.0
599.39630	14.5
600.40100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98829	100.0
66.64685	0.9
69.49126	0.9
85.02941	1.4
88.24996	0.8
102.48652	0.9
125.02441	5.0
181.12265	1.2
183.26950	0.9
191.05582	14.5
192.05852	1.0
200.04578	1.1
200.77249	1.1
225.11317	2.3
229.47012	1.3
243.12390	2.1
255.23201	1.4
281.10330	1.3
283.13492	1.8
291.19797	1.4
309.20694	7.1
472.34802	1.4
480.17322	2.0
535.32574	4.0
599.29315	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	599.1041
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
56.36239	0.3
59.01363	1.3
60.45744	0.3
61.98827	6.7
63.02397	2.1
65.00323	3.6
68.97957	0.3
69.03441	0.5
71.01368	0.6
71.53611	0.6
80.96532	0.3
83.01387	3.3
85.02937	0.6
88.98804	0.7
91.01926	0.4
93.03450	2.2
96.96003	0.8
107.01390	8.7
108.02158	0.5
109.02947	3.9
119.01437	0.4
119.42153	0.3
119.72985	0.3
121.02956	7.4
121.78357	0.3
123.00877	0.6
125.02448	1.7
133.02928	1.2
135.00868	0.5
135.04469	1.0
137.02472	0.6
139.03966	0.8
141.70424	0.4
147.04538	0.4
149.02409	1.8
150.03195	1.1
151.00360	30.5
152.00648	0.8
159.04475	0.9
161.02425	3.3
162.02907	0.7
163.00360	2.8
163.04033	0.4
165.01926	0.5
165.05576	0.8
168.00681	0.4
169.01410	2.6
169.05035	0.7
171.10263	0.6
173.05939	0.5
174.03162	0.4
175.03937	0.7
178.99852	13.3
179.03439	1.1
181.04951	0.4
183.04515	0.7
185.06071	0.6
187.03954	1.4
190.99916	0.4
191.05608	3.7
193.01372	0.8
193.04935	0.5
195.06500	0.5
199.03894	0.8
201.05589	1.2
203.03346	0.5
209.08171	0.5
211.03915	1.9
227.03479	1.5
229.05064	1.8
239.03528	0.6
240.04300	0.5
243.03044	0.7
245.04459	2.8
255.02971	4.0
256.03470	0.6
257.04559	0.6
271.02496	1.1
273.04016	2.8
283.02426	1.1
284.03152	0.7
297.06168	0.5
300.02658	0.7
301.03506	100.0
302.03830	6.7
313.05380	0.6
408.99231	0.4
437.23911	0.5
447.09338	0.8
465.69333	0.4
536.14502	0.7
599.10352	6.5
599.19678	0.7
599.27789	0.7
600.10632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27993	4.7
52.38986	4.6
59.01367	19.2
69.03456	51.8
70.27876	6.3
70.28221	13.7
79.73357	4.4
81.05763	4.4
86.61980	4.6
90.96465	5.0
93.03428	11.4
95.05033	11.5
103.00383	5.2
108.23071	4.7
109.51579	4.6
111.04533	7.0
135.04478	10.0
161.02370	12.2
183.06573	23.8
191.05627	21.9
199.04175	12.0
217.05116	7.2
347.96494	5.7
407.07941	14.4
419.09940	10.0
437.11057	14.8
560.72540	5.5
599.14282	100.0
600.14099	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	598.28
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	7.7
61.98827	0.6
65.13737	0.4
66.03486	1.4
70.02982	0.8
71.01361	0.5
71.20889	0.4
72.00905	1.4
74.02470	16.8
81.04592	1.3
82.02975	2.0
84.04546	0.9
86.02477	5.6
86.99092	1.4
87.05637	3.5
90.00189	1.7
96.04560	0.8
96.35065	0.4
97.04053	2.0
99.05638	14.6
101.07175	2.3
102.05617	2.1
107.06143	0.6
109.04057	2.1
109.07677	0.5
111.05634	1.2
112.04058	1.2
113.03637	0.4
116.01778	1.0
120.01251	0.5
123.05643	1.5
124.04024	1.2
125.03545	1.5
125.93639	0.4
126.01993	0.7
126.04292	0.5
127.05119	2.3
128.03534	41.7
129.03908	0.6
129.99698	0.5
131.04611	1.1
135.05640	3.3
137.07193	0.9
139.05098	0.6
141.06683	4.1
143.04617	54.2
144.04977	0.8
145.06186	2.5
146.04588	5.3
149.07253	0.6
153.06700	4.1
155.08241	0.5
160.00731	16.1
161.00974	0.5
162.84976	0.4
163.22490	0.4
166.09839	2.6
167.04616	4.3
167.08270	2.5
170.03308	0.9
170.34119	0.4
171.04083	0.8
177.03392	6.2
179.04623	13.2
181.06204	1.3
184.10869	0.8
185.05696	2.1
192.07736	1.4
197.05678	1.8
198.08788	0.7
210.08818	9.6
211.09055	0.5
228.09839	0.7
228.36526	0.4
232.87886	0.4
242.07788	1.3
254.07803	18.0
255.08043	0.7
272.08865	30.5
273.09149	1.4
288.06583	10.5
306.07632	100.0
307.07846	4.7
313.69592	0.4
482.24722	0.5
580.26428	0.9
598.27911	9.1
599.27399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27383	0.7
57.21531	0.7
58.02975	11.2
61.98817	2.1
66.03487	1.9
70.02990	0.9
70.38316	2.8
72.00915	1.5
72.97535	2.2
73.81447	1.1
74.00697	1.6
74.02477	22.5
80.03790	1.0
81.04583	1.9
82.02979	2.9
84.00923	0.8
84.04543	1.1
85.04091	0.8
85.36360	0.7
86.02474	10.7
86.06129	0.9
87.05631	3.8
90.81389	0.8
96.04508	0.9
97.04069	3.2
99.05037	1.6
99.05643	21.7
100.00427	2.0
100.04008	0.7
101.07204	4.0
102.05579	3.5
105.99682	0.8
107.06102	1.3
109.04065	3.8
109.07700	1.2
111.05644	2.6
112.04042	2.9
113.03557	1.3
113.04261	1.0
116.20821	0.7
118.59412	0.7
123.05660	1.2
124.04018	1.0
125.03564	3.5
127.05130	3.4
128.03546	65.6
129.03851	0.8
129.45264	0.8
135.05646	6.2
137.07176	1.0
139.01393	0.9
139.03979	2.4
139.05051	0.8
141.06691	3.2
143.04625	86.4
144.04933	1.5
145.06168	2.7
146.04619	8.4
153.06706	4.6
165.12808	1.5
166.09851	3.5
167.04634	4.3
167.08253	4.6
170.03378	1.4
171.04095	1.3
171.10219	3.1
179.04616	21.4
181.06216	2.0
184.10841	1.2
185.05670	3.2
191.05594	1.0
192.07831	2.3
197.05678	2.6
209.11803	3.0
210.08847	20.1
228.09924	2.5
236.06749	1.1
254.07826	48.6
255.08109	2.2
256.11414	2.4
272.08875	100.0
273.09283	3.7
291.19708	2.3
325.18427	5.1
469.23715	3.5
541.07281	0.8
580.26758	4.2
588.36249	0.9
598.28027	28.3
599.28363	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74705	0.9
57.78678	0.9
59.01378	2.2
71.05025	4.0
71.41453	1.7
88.94846	0.9
92.44584	0.9
95.05035	2.7
109.06574	2.7
111.08121	1.8
123.08088	1.6
125.09722	2.9
130.97406	0.9
135.08151	5.4
142.79709	0.9
149.09654	1.0
151.11285	1.1
153.12854	2.9
161.09669	1.5
165.09193	1.8
165.12637	1.1
167.10719	1.8
169.12419	1.0
177.12741	1.3
179.14421	2.5
181.12437	1.9
185.11826	4.0
187.28741	1.0
189.12839	2.8
197.11812	2.1
207.13892	2.2
211.13399	2.2
243.17574	2.9
245.15599	1.2
247.20660	3.9
273.18658	1.7
287.16531	16.9
291.19675	29.5
292.20041	1.6
305.17542	29.6
306.17786	1.5
308.18936	1.0
309.20691	100.0
310.21085	5.6
310.37625	0.9
369.78943	1.3
428.48947	1.2
458.39957	1.2
570.78131	1.1
579.36786	5.0
597.37988	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	598.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
61.98829	40.4
69.03456	5.2
71.01371	2.4
89.02466	3.4
93.03468	1.7
96.96000	0.8
97.02953	7.2
101.02458	1.7
108.55933	0.5
113.02450	0.9
119.03503	0.9
120.23888	0.5
123.04530	1.5
132.02173	1.1
133.02951	22.2
135.04539	1.5
149.06076	2.5
151.00447	0.6
161.02437	100.0
162.02765	2.8
178.99969	0.6
179.03477	1.6
191.05580	1.5
193.05060	2.3
196.95494	0.5
221.04501	1.0
229.51334	0.7
255.02942	1.3
271.02533	1.5
281.06674	0.5
300.02640	3.2
300.05664	0.5
301.03577	2.2
307.52252	0.5
373.11368	13.6
374.11630	1.1
447.09189	5.3
535.14453	8.2
536.14526	1.5
563.17877	1.5
581.21082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71997	0.8
55.38398	0.9
55.91950	0.9
58.68789	0.9
59.01374	9.4
61.98827	100.0
62.98531	1.2
63.99229	1.4
69.03437	1.3
71.01376	5.5
71.55005	1.2
72.99296	1.2
75.00874	12.6
85.02942	4.5
87.00864	2.4
89.02435	5.6
93.03446	3.8
95.62910	0.8
96.96037	2.2
97.02943	1.3
101.02435	2.6
108.02180	1.8
109.02935	2.9
113.02461	1.2
119.04942	1.2
120.99634	1.3
125.02464	5.4
135.04520	1.8
137.02417	3.3
151.00343	1.6
151.03938	1.3
152.01114	4.2
153.01895	2.4
161.02432	4.5
163.03984	1.2
165.01944	3.1
165.56729	0.8
173.04498	2.2
179.03459	3.2
180.04201	1.5
181.05078	2.0
184.25012	0.8
191.05597	20.5
194.05815	1.2
195.06625	1.5
198.29567	0.9
209.11739	1.1
211.07529	1.1
225.07591	1.0
237.05724	1.1
243.12375	1.1
273.03043	1.1
293.08670	1.8
300.02890	1.0
301.03235	3.2
302.03534	1.6
341.64786	1.1
345.15295	1.0
387.14774	1.1
428.53262	0.9
429.10260	11.9
430.10696	1.3
435.11322	1.9
549.20490	1.0
597.11224	2.6
597.28101	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	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07603	5.3
59.01385	52.1
61.98828	69.5
67.21888	5.2
69.03450	22.5
71.01377	53.5
71.16769	8.3
71.17096	5.8
71.95682	4.8
72.99298	7.4
73.02907	5.7
79.01915	9.5
85.02942	18.5
87.00881	12.1
89.02448	59.8
93.03470	8.6
95.01366	10.9
97.02965	13.1
101.02467	13.5
107.01382	21.1
108.02176	37.0
109.02959	26.1
113.02456	8.9
119.03480	7.1
123.04549	6.5
125.02444	45.8
131.03531	8.1
133.02927	5.3
135.00859	30.5
135.04558	6.6
137.02435	15.2
139.04004	11.1
149.04535	22.2
150.03246	9.1
152.01144	74.0
153.01944	57.4
153.09459	5.5
161.02441	17.0
162.38055	5.3
163.03877	4.8
165.01944	10.7
165.05557	11.1
169.01453	9.3
173.04617	5.9
177.49759	5.3
180.04204	6.8
181.05045	7.1
189.05602	9.9
191.05595	52.1
195.06676	10.6
208.82909	5.1
225.07616	7.2
243.06596	29.4
247.15157	5.7
293.08698	16.1
325.07202	6.8
327.07037	7.8
401.16144	8.1
429.10345	100.0
430.10648	6.9
537.18994	5.6
543.37097	5.0
597.24597	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06938	1.5
59.01376	4.5
69.03449	6.4
69.32555	1.4
71.01369	9.8
71.53767	1.5
73.02943	5.4
83.01378	2.9
85.02971	3.7
87.00874	28.1
93.03453	3.6
97.02966	2.4
97.36196	1.4
99.00868	5.2
100.01669	4.0
101.02409	2.2
109.02942	1.7
111.00893	16.3
112.98798	4.5
115.00336	1.7
116.04217	1.2
121.02909	4.5
122.03733	9.9
123.00887	6.5
123.04556	1.7
125.02414	2.6
131.03488	2.0
135.04568	1.6
137.02443	3.2
142.99863	1.9
147.04489	1.9
149.02429	25.9
149.06024	1.6
150.03224	87.8
151.00366	1.8
151.03932	4.8
153.05609	2.0
161.02403	4.6
163.04018	5.1
164.04793	10.9
165.05568	100.0
166.02702	6.1
166.05905	2.8
173.00925	9.1
173.02228	1.6
174.01712	2.9
175.03999	5.6
175.07744	1.5
176.01158	2.2
176.04762	3.3
177.05627	1.2
178.06427	2.6
179.03502	5.7
179.07169	7.8
180.04274	9.4
181.05049	7.9
187.04042	1.8
190.02786	2.4
191.03505	4.7
191.05600	6.5
191.07152	3.4
192.04254	1.4
193.08702	3.0
194.05820	7.3
195.06609	45.7
205.05069	3.6
206.05804	4.1
209.08179	7.7
217.04993	2.1
219.02942	2.5
221.04634	1.9
221.08128	8.5
231.02957	1.9
233.08250	1.7
234.05284	2.1
241.04881	2.7
247.02473	3.8
247.06061	2.0
249.03996	2.4
249.07635	2.5
259.05655	1.6
261.04108	3.9
262.04813	5.7
264.06439	5.1
265.07135	6.2
276.06470	4.5
277.07086	14.2
285.04114	14.8
306.39279	1.6
337.09262	38.7
338.09433	2.0
339.09213	1.7
354.10910	2.4
357.13318	2.2
369.13385	10.6
413.12399	5.7
425.12494	1.7
443.13364	3.4
461.14484	37.6
461.21207	2.0
462.14410	2.7
471.11353	1.7
473.14621	5.3
485.14514	3.4
491.15631	2.8
521.16559	3.3
531.15253	3.9
533.16705	7.6
579.17267	19.9
580.17932	2.1
597.18274	91.2
598.18689	8.9
611.15247	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	596.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57265	5.7
61.98820	100.0
71.52559	8.0
78.95919	11.9
82.00992	6.1
92.40965	6.2
106.41780	7.3
116.86317	5.9
119.70383	5.9
144.06129	5.8
152.99602	9.8
197.11807	16.9
231.14520	6.3
241.10754	11.2
353.25101	6.9
369.13071	6.4
492.98318	8.7
533.30878	29.7
542.23468	7.4
574.26257	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	596.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66283	3.5
61.98829	100.0
69.03448	4.4
78.95910	4.2
79.46691	3.6
91.10526	3.1
98.19897	12.0
151.11293	5.4
161.09608	5.3
179.10805	22.9
197.11790	13.2
241.10825	12.1
291.19559	8.5
309.20630	7.8
430.60327	4.1
507.00272	3.8
533.30994	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52355	0.2
59.01368	1.3
59.23362	0.2
61.98828	100.0
64.13409	0.2
71.01385	0.3
71.55035	0.2
78.95944	0.2
85.02950	0.4
89.02454	0.3
90.42609	0.2
93.03474	0.4
125.02420	0.4
132.63417	0.2
133.02966	0.3
135.04529	0.4
137.02495	0.4
155.08084	0.2
161.02431	1.5
161.31976	0.2
173.04543	0.3
179.03558	0.5
180.04213	0.2
185.50165	0.2
190.18307	0.2
191.05597	2.4
191.07141	0.2
192.05959	0.2
254.75313	0.2
374.16989	0.4
533.23657	0.6
596.21979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50784	0.8
61.98823	5.8
62.96420	1.1
71.53403	0.8
78.95899	68.8
80.91684	13.1
96.96952	12.5
96.97896	0.9
102.93155	0.9
123.00908	0.9
152.99580	91.5
161.02419	3.0
171.00607	2.7
191.05490	2.1
216.26193	0.9
223.00127	11.3
239.34850	0.9
241.01170	24.7
259.02292	2.0
261.22073	1.1
263.62454	0.9
279.23270	67.0
280.23627	3.8
315.04852	14.7
500.91721	1.1
595.28857	100.0
596.28857	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	595.2885
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.87787	0.8
59.01362	1.8
61.55221	0.9
61.98822	6.1
71.52267	1.5
78.95903	66.3
80.42331	0.9
80.91677	10.1
96.96955	12.0
145.02943	1.8
152.99585	97.6
153.99895	1.5
161.02411	2.9
171.00661	2.5
174.13829	0.9
191.05583	1.6
223.00130	10.1
241.01175	24.2
259.02106	1.5
265.04587	0.9
277.21765	1.2
279.23273	64.4
280.23547	3.3
300.03101	1.1
315.04816	16.3
333.05792	1.6
482.35037	1.1
595.28851	100.0
596.29150	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	595.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70520	0.6
57.03443	0.7
59.01374	5.5
60.19302	0.5
60.99310	1.2
61.98829	44.0
62.66941	0.8
67.01888	3.2
69.03450	1.3
71.01391	4.3
71.53653	0.9
73.02966	0.7
78.95922	2.5
79.15099	0.6
79.39624	0.7
81.03475	2.0
82.71783	0.6
83.01402	0.6
83.05047	0.9
85.02948	11.3
87.00875	7.1
88.98823	1.3
89.02447	0.8
93.03458	24.7
94.03815	0.9
96.96002	1.0
99.00902	1.4
101.02457	1.9
104.20403	0.6
108.02190	1.1
109.02934	3.6
111.04506	4.6
114.72447	0.6
121.02933	0.8
125.02435	3.6
127.04038	2.2
129.89754	0.6
133.02969	1.2
134.03761	1.2
135.04524	2.7
137.02461	2.8
147.04393	0.6
152.99673	0.9
155.03514	1.3
159.04573	1.1
161.02460	2.7
169.01401	3.0
173.04552	8.5
173.05945	0.7
174.03249	1.1
174.04747	0.8
174.06876	1.3
179.03461	1.3
187.04007	1.8
187.07631	1.4
191.05603	100.0
192.05914	4.4
197.06064	1.1
200.04761	0.8
201.11172	0.7
209.11830	2.0
211.13406	1.3
227.03510	0.8
261.37054	0.6
283.13202	1.0
296.62234	0.7
299.16547	5.1
309.14960	2.9
317.17453	3.2
327.15952	3.7
345.16931	2.7
353.13907	1.9
364.90436	0.6
371.15009	13.7
372.15253	1.8
377.19678	1.4
385.16656	0.8
403.17441	2.7
443.19220	0.8
505.03867	0.8
533.23767	0.8
545.20123	1.1
553.32520	0.8
563.21429	7.5
577.22382	1.9
595.23761	40.6
596.24231	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	595.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52494	4.2
59.01382	38.6
59.94701	4.5
60.53051	4.5
69.03454	64.7
69.44582	9.9
69.44977	36.4
69.75137	4.5
71.01385	5.8
85.02926	13.3
87.00877	6.2
93.03447	7.2
93.56212	5.0
95.05016	15.2
96.95999	11.4
102.98591	8.7
121.02930	6.8
128.55772	4.4
135.04518	6.0
139.04030	5.5
159.04453	12.0
162.59416	5.2
165.05516	10.4
183.06639	30.4
191.05623	100.0
229.01331	7.3
229.04916	5.6
301.03616	6.1
309.07806	9.3
327.08704	8.0
443.13190	6.9
595.12048	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	595.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.6
61.98829	76.7
67.01874	3.6
69.03455	100.0
69.41344	1.5
71.01385	13.9
72.99294	1.8
73.02940	2.4
76.76260	1.6
78.95895	2.5
85.02946	5.6
87.00878	2.4
87.04503	1.8
89.02438	7.5
89.43275	1.8
93.03446	6.3
95.05026	24.9
95.40369	1.5
97.00419	1.7
98.20636	5.2
99.00828	1.8
101.02441	7.0
106.04241	9.1
109.02927	1.9
109.06639	1.5
111.00819	1.6
111.04561	1.7
112.63168	1.5
113.02473	7.8
113.28162	1.6
119.03489	2.2
121.02959	9.7
121.06592	54.7
123.04501	6.2
133.02928	1.8
135.04477	5.5
135.08105	1.7
135.11787	4.5
137.02409	3.0
139.00360	8.7
139.03972	2.2
139.07634	5.1
143.03435	2.3
159.11775	2.8
161.02388	3.8
161.09761	9.9
165.05582	23.2
166.05890	1.8
173.04572	2.7
174.01674	4.9
177.12839	6.0
179.03485	3.5
179.10759	25.0
183.06610	11.2
191.05597	22.9
192.05951	2.4
193.12270	4.5
209.04553	14.2
209.11725	2.8
221.11824	21.0
229.52711	2.5
265.10645	3.2
268.28207	2.2
327.10956	3.0
345.11884	19.8
422.52234	1.7
507.22479	13.0
512.47174	2.0
551.21210	16.1
552.21381	2.6
595.20123	29.5
595.27893	2.8
596.21033	2.7
599.82574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98829	100.0
69.03455	1.9
71.01392	0.9
78.95940	0.2
85.02950	1.2
87.00904	0.5
89.02454	0.6
93.03462	1.5
95.05064	0.5
98.20695	0.5
101.02489	0.3
104.71519	0.2
109.02967	0.8
109.06625	0.3
110.70734	0.3
111.04534	0.5
113.02410	0.3
121.03035	0.3
121.06573	0.6
125.02439	0.3
133.02986	0.5
135.04567	1.1
137.02432	1.5
148.45622	0.3
154.90108	0.3
161.02504	0.8
169.01451	0.3
173.04567	0.9
179.03561	0.9
179.10774	0.3
188.58675	0.2
191.05595	6.2
192.05887	0.5
207.10275	0.4
209.11862	0.8
225.11446	0.2
229.05145	0.3
281.06708	0.3
285.04019	1.6
286.04404	1.8
447.06888	0.6
534.30322	0.5
551.21759	0.7
594.13416	0.7
594.23218	0.3
595.20007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.27082	0.7
99.40081	0.3
103.88978	0.3
135.91260	0.4
148.05141	0.3
211.49271	0.3
225.68256	0.3
281.98178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51706	1.4
59.01396	3.5
60.99303	2.0
63.15450	1.3
69.03461	21.7
70.68043	4.0
71.01392	3.8
75.49059	1.4
85.02937	3.3
89.02470	1.8
93.03469	2.8
94.63499	1.4
95.05003	3.1
97.02947	100.0
98.03253	1.4
101.02453	2.5
101.03116	1.9
105.03448	3.3
113.02419	3.0
117.12624	1.6
121.02921	3.7
123.04527	46.1
149.02477	1.5
149.06076	3.9
167.07129	32.5
190.68925	1.5
191.05595	21.0
199.09784	3.1
284.03403	1.6
349.18588	5.1
446.06375	3.6
447.07092	1.9
450.62918	1.6
593.12244	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	594.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98829	100.0
67.01894	0.3
69.23550	2.6
71.01372	1.2
71.87592	0.3
73.02935	0.3
73.62678	0.2
84.43199	0.3
85.02955	2.5
87.00907	0.6
89.02445	0.7
91.15726	0.2
93.03480	1.5
95.33114	0.2
97.02958	0.4
101.02456	0.4
109.02945	0.5
113.02446	0.5
127.04051	0.6
131.03534	0.3
133.02986	0.5
135.04536	0.5
139.04019	0.6
149.02425	0.3
150.03143	0.3
161.02428	1.8
165.01939	0.3
165.05598	0.5
172.05330	0.4
173.04620	0.6
174.03137	0.3
179.03352	0.3
187.04083	0.5
187.94560	0.3
189.05637	0.3
191.05611	16.7
192.05959	1.4
199.04097	0.4
209.11867	0.8
227.03601	0.3
283.13559	0.4
311.12814	0.4
317.13943	0.4
327.16141	0.5
329.13867	0.4
353.14044	1.2
359.18607	0.7
371.15109	1.6
403.17560	4.3
409.21582	0.3
593.73688	0.7
594.25342	0.7
595.28418	0.8
608.52551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98830	100.0
67.01884	0.3
69.03454	0.4
69.32821	0.6
69.33218	1.9
71.01367	0.9
72.01697	0.3
73.02957	0.3
78.95885	1.2
81.03448	0.3
85.02946	1.2
87.00897	0.5
89.02439	0.6
93.03455	1.9
96.95982	0.3
96.97012	0.3
101.02430	0.3
105.03445	0.3
109.02987	0.4
111.04530	0.4
119.05054	0.3
125.02441	0.4
126.68036	0.2
133.03029	0.6
135.04568	1.0
137.02473	1.0
143.94318	0.2
152.99652	0.4
155.03539	0.3
161.02490	1.0
173.04620	1.0
177.02029	0.3
179.03558	0.4
179.79697	0.3
191.05605	9.6
192.06027	1.1
207.10234	0.5
209.11868	1.0
211.13379	0.5
215.05553	0.3
351.07895	0.4
371.15182	0.5
398.12610	0.3
401.16354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.263
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01374	1.4
61.98827	3.3
63.96245	1.1
64.94981	0.4
69.03454	0.5
71.01382	6.6
72.79230	0.3
72.99279	0.4
73.02958	1.7
78.95889	0.8
78.98593	4.4
79.16022	0.4
79.95735	31.5
80.96515	51.8
81.03454	0.7
83.01367	0.6
85.02934	2.2
87.00889	2.0
93.03477	0.9
94.98085	12.7
96.96019	0.9
97.02942	1.6
98.20750	0.8
99.00842	0.5
101.02467	1.8
106.98099	2.4
122.97565	4.0
125.02450	2.3
127.04010	1.1
134.97574	4.2
136.99126	1.2
137.02431	0.9
141.02110	0.3
148.99133	4.4
152.98627	6.0
161.04530	0.6
164.98628	9.0
165.27252	0.3
178.22816	0.4
179.00133	0.7
182.99704	2.1
188.98531	0.5
191.05612	6.1
206.99680	3.4
225.00728	17.2
226.01140	0.5
227.03584	0.7
241.00212	1.3
243.01773	2.3
293.21289	0.9
299.04401	3.5
313.03506	0.7
315.03925	0.8
364.37445	0.4
371.06412	1.0
376.43265	0.4
385.08255	1.1
399.09613	1.3
413.11340	1.3
427.12839	0.5
441.14319	0.7
455.16110	2.4
495.19025	1.9
523.18060	1.2
524.19031	0.7
546.60352	0.4
593.26306	100.0
594.26624	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
59.19439	0.7
63.55604	0.5
69.37560	4.5
70.99339	0.6
78.95903	71.0
85.52236	0.6
96.96965	12.0
98.20627	0.9
131.08192	0.7
150.98033	1.6
152.99583	100.0
153.99969	1.1
171.00684	3.1
223.00119	8.8
240.98732	1.2
241.01172	25.7
259.02219	1.9
275.20358	0.6
277.21713	47.8
278.22156	2.6
315.04861	17.7
316.05090	1.1
333.05853	1.2
361.98758	0.6
448.16663	0.7
593.27289	88.9
594.27588	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.6
59.01378	100.0
61.98812	3.6
67.01887	2.4
69.03455	39.0
69.41913	13.9
71.01383	64.2
72.99309	3.6
73.02951	6.4
75.00843	2.5
75.97343	1.9
81.03436	4.0
81.46542	1.6
83.01390	3.2
83.05019	8.3
85.02954	17.4
87.00877	8.8
89.02444	50.4
93.03446	7.8
95.01400	7.5
95.05031	11.7
97.02946	5.8
98.19960	2.2
99.04537	3.1
101.02433	31.4
107.05030	18.4
107.20464	1.6
108.02160	2.3
109.02955	10.2
109.06580	3.4
110.03740	6.1
111.04524	90.9
113.02460	20.2
119.03500	23.0
119.05003	7.3
121.02947	18.5
121.06631	9.0
122.03674	3.0
123.04522	28.1
125.02405	5.2
125.06128	2.1
131.03513	2.9
131.67508	1.9
133.06580	3.1
134.03732	1.8
135.04520	12.8
137.06091	28.0
139.04012	5.5
143.03459	3.9
145.06598	4.5
147.04530	12.9
147.08163	5.6
149.02426	4.5
149.04546	2.8
149.06056	9.8
149.09721	1.8
151.03993	10.4
153.05602	2.5
157.06599	2.4
159.04520	5.8
160.05309	2.5
161.04654	2.2
161.06073	4.3
163.04019	4.7
163.07660	4.7
165.05559	38.5
171.08141	6.3
173.04700	2.4
173.06059	9.5
175.07610	7.1
177.05579	12.6
179.03505	2.5
179.05675	9.5
179.06992	2.2
181.05070	10.1
189.05553	3.6
189.09161	8.0
191.03476	3.2
191.05455	2.5
191.07114	17.7
195.06630	3.8
199.07678	4.9
201.09215	3.2
203.03535	3.7
203.07025	1.9
207.10307	2.0
209.04533	7.0
217.08640	15.1
219.06639	5.4
221.04584	3.2
229.08682	10.6
233.08112	2.2
235.09779	9.4
237.07681	4.2
241.08794	2.2
243.06561	4.6
245.04668	2.6
245.08128	2.1
247.09758	4.6
261.07660	18.9
263.05582	4.6
265.10812	2.4
271.09784	5.3
277.75418	2.0
289.10712	3.7
291.08731	2.8
307.11908	3.3
312.04645	1.7
315.08698	2.3
351.10858	5.5
397.15155	9.8
423.12943	2.6
427.11850	3.4
427.16864	3.2
429.13821	3.6
441.13980	65.4
442.14236	5.2
443.11618	3.9
453.13953	7.5
456.58398	2.1
459.14938	9.0
467.11768	3.3
471.15204	10.1
473.13022	14.3
474.13635	2.5
483.90726	2.0
489.15680	2.2
495.15344	8.8
503.07272	3.3
503.14087	27.1
513.15521	2.3
515.14294	4.6
531.17395	2.7
533.14758	8.9
539.13690	2.4
557.14954	3.0
575.16119	13.4
593.17194	43.8
594.17542	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
61.98829	23.2
63.02386	1.3
65.00311	0.9
69.29101	7.8
71.01385	5.7
73.02955	1.1
78.95908	1.1
79.53984	0.8
83.01389	1.8
85.02942	5.0
87.00865	1.7
89.02444	2.8
93.03449	4.2
96.95998	2.2
96.96979	0.8
98.20669	1.7
99.00865	1.3
101.02455	2.6
107.01389	2.6
109.02959	2.0
113.02441	2.2
117.03463	3.7
119.05028	4.3
121.02952	1.1
125.02409	1.3
131.03488	1.0
133.02921	2.0
135.00833	1.1
135.04474	2.3
137.02428	1.6
137.06104	1.4
145.02957	11.9
151.00388	5.9
159.04500	2.0
161.02457	4.5
161.04613	1.3
163.00345	2.5
163.03972	3.3
164.01155	1.0
167.04999	1.3
169.01370	1.3
173.04541	1.9
179.03485	2.1
181.05040	4.5
183.04472	1.8
185.06073	2.2
187.03947	2.9
189.05470	0.8
191.05602	23.2
191.07382	1.1
192.05898	1.5
193.82404	0.8
195.04539	1.4
197.06071	1.4
199.04091	1.8
200.04721	1.1
208.58545	0.8
209.11928	1.2
211.03976	3.2
213.05554	2.6
227.03484	38.3
228.03839	2.3
229.05055	9.9
239.03470	1.8
240.04218	1.0
241.04997	1.2
255.02985	62.9
256.03641	8.7
257.04562	6.3
284.03250	69.0
285.04010	100.0
286.04333	4.6
307.08221	5.4
327.05008	1.0
356.32083	1.0
369.17694	1.1
401.16089	1.4
401.25497	0.9
447.09488	4.0
532.28296	1.4
533.25555	2.4
538.32709	1.0
593.12970	79.9
593.23773	4.4
594.13373	12.0
594.31537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00660	0.5
59.01376	5.4
61.98824	5.8
63.02381	1.7
65.00314	1.3
69.44881	4.5
71.38223	0.6
72.58482	0.5
73.02948	1.3
78.95902	1.4
83.01366	3.1
85.02954	2.2
87.00880	0.5
88.98822	0.6
89.02432	0.7
93.03480	3.1
96.96014	3.1
96.96935	1.9
101.02417	0.7
107.01369	2.9
108.02176	0.6
109.02928	1.0
110.14461	0.5
111.04518	0.9
115.42617	0.5
117.03453	3.2
118.11108	0.6
119.05025	4.5
121.02923	0.6
125.02473	0.7
132.02104	0.7
133.02954	1.0
135.00850	2.0
135.04550	1.7
137.02412	1.2
141.07031	0.5
143.04977	1.0
145.02945	13.3
149.72763	0.5
151.00380	5.8
157.06558	1.0
159.04486	1.8
161.02473	1.5
163.00365	2.6
163.03986	3.4
164.01167	0.9
165.01881	0.7
171.04482	1.1
173.04645	0.8
174.03188	0.8
183.04510	1.6
185.06047	2.6
187.03998	3.3
189.05585	1.1
191.05609	13.8
195.04478	1.2
197.06149	1.0
199.03983	1.2
199.07178	0.6
200.04823	0.9
201.05579	1.1
209.11800	0.7
211.03938	3.8
212.04549	0.7
213.05499	1.2
214.02716	0.7
227.03479	43.1
228.03937	2.9
229.05017	9.5
239.03473	2.7
240.04176	1.1
241.05000	1.8
255.02960	72.4
256.03619	9.6
257.04492	7.3
267.03030	0.8
283.02399	0.9
284.03241	76.9
285.04004	100.0
286.04388	5.0
307.08231	5.8
371.14999	3.2
447.09012	3.5
448.09738	0.7
506.78229	0.7
532.28436	0.9
533.28955	0.9
593.12970	97.1
594.13153	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	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18706	0.3
59.01380	0.8
61.98829	100.0
62.98553	0.3
69.94086	1.2
71.01392	0.6
73.02933	0.3
73.28056	0.2
75.00847	0.3
78.95893	1.5
78.98577	0.3
79.95724	1.6
80.96511	4.0
85.02950	0.3
87.00868	0.4
89.02455	0.3
94.98106	0.9
96.96973	0.3
110.42479	0.2
112.59549	0.3
125.02475	0.4
135.04553	0.3
142.12119	0.3
148.99142	0.4
152.98569	0.4
152.99626	0.8
164.98573	0.5
191.05585	1.9
211.13437	0.7
212.13716	0.7
220.97589	0.3
225.00795	1.0
226.01134	0.4
309.20654	0.4
395.28006	0.9
592.25159	5.1
592.33569	0.5
593.26215	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	592.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03591	0.2
61.98826	100.0
67.22417	0.2
74.27286	0.3
74.35632	0.3
86.31759	0.3
107.10239	0.3
136.97783	0.2
148.75740	0.2
202.88652	0.3
253.88889	0.3
297.80188	0.2
340.77542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09595	0.7
55.69501	0.6
59.01378	22.3
61.98826	22.7
69.03458	0.9
69.94333	3.2
71.01381	20.6
72.99313	1.5
73.02943	9.7
75.00868	6.5
78.95908	7.9
80.96490	0.9
83.01368	1.2
85.02939	3.0
87.00868	4.9
89.02444	19.7
89.86286	0.6
95.01371	0.7
96.96961	1.3
99.00877	22.4
101.02430	9.7
113.02444	2.6
118.06573	0.6
119.03479	1.8
125.02440	1.6
131.03510	2.7
137.02420	1.0
149.04517	1.1
152.99570	4.3
183.13858	1.7
191.05611	4.2
207.10358	0.8
211.13364	5.6
249.06140	1.9
275.20175	2.0
279.23337	6.8
297.24387	2.7
309.11148	0.7
309.18661	0.6
459.29526	4.4
591.33881	100.0
592.25104	1.2
592.34064	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.00597	0.8
59.01379	19.8
60.53020	0.5
61.05140	0.6
61.98829	22.7
71.01380	20.8
71.52503	0.8
72.17440	0.5
72.99296	2.2
73.02943	7.5
73.63284	0.6
75.00868	5.9
78.95901	8.6
80.96497	1.9
83.01385	1.1
85.02941	3.2
85.53907	0.4
87.00872	4.5
89.02444	21.6
91.10063	0.6
93.03448	0.7
95.01382	1.1
97.02921	1.2
99.00879	22.2
101.02440	10.4
113.02433	3.3
116.75204	0.5
119.03522	1.5
125.02419	1.7
131.03510	2.8
133.74118	0.6
149.04512	1.4
152.98560	0.6
152.99585	3.6
161.04515	0.7
183.13908	1.6
191.05603	5.9
207.10306	0.7
209.11816	0.7
211.13364	5.6
225.11267	0.9
249.06200	1.2
254.32181	0.5
275.20093	1.4
279.23315	5.6
297.24219	2.6
365.13660	0.6
395.33072	0.5
438.89099	0.6
459.29736	4.1
591.33893	100.0
592.25421	0.8
592.34265	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	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45981	2.5
57.03426	2.8
58.00580	3.6
59.01376	90.8
61.98820	8.5
69.03426	2.4
69.23424	13.5
69.23848	8.1
70.78810	2.2
71.01377	77.8
72.99326	6.4
73.02925	11.7
78.95917	3.2
81.41840	2.3
83.01384	6.5
85.02939	17.2
87.00861	5.8
89.02444	70.6
92.37357	2.2
94.81608	2.1
95.01395	3.9
98.19932	4.1
99.00877	6.1
101.02435	42.5
106.12439	2.4
111.00867	5.4
113.02441	17.8
119.03487	7.5
125.02458	6.7
131.03500	23.9
135.04527	6.9
143.03494	3.7
149.04553	31.0
161.02477	2.6
161.04535	9.2
172.68567	2.4
179.05582	4.0
191.05614	17.8
233.06648	4.3
252.23541	2.7
280.52350	2.5
293.08453	2.7
399.23792	25.7
531.28168	100.0
532.28467	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.12247	0.4
56.08920	0.4
59.01367	0.4
61.98835	0.5
63.33984	0.4
63.52338	0.4
65.91196	0.4
70.09997	1.6
78.95898	0.6
98.20713	0.5
106.06604	0.5
131.63010	0.4
175.55270	0.4
183.85663	0.4
396.17258	0.5
443.22485	1.7
444.19077	0.9
445.19614	1.0
445.24997	0.8
455.22626	0.5
456.23251	0.7
458.21182	0.7
459.21854	1.9
460.22702	0.7
467.18243	0.4
471.20840	0.7
471.25598	1.8
472.18246	0.5
472.22690	1.9
473.23383	0.9
482.21213	1.5
485.19583	2.4
487.25650	3.0
496.22708	0.5
497.23459	3.8
499.21359	3.9
500.22205	12.3
501.22311	1.2
504.21393	0.7
513.22601	1.1
514.23688	1.1
515.24500	100.0
516.24799	13.5
519.23779	1.2
547.26575	0.7
559.23468	4.7
560.23871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40242	0.4
55.16094	0.5
57.86782	0.6
59.01375	0.7
60.84353	0.4
61.98816	1.6
66.34741	0.5
66.98871	0.5
71.01374	1.5
71.15955	1.0
78.95902	13.1
81.03447	1.0
85.02936	3.1
93.03444	1.1
95.01378	1.8
96.96940	1.2
99.28604	0.6
101.02443	0.9
108.02170	81.8
109.02954	35.8
109.06564	0.6
110.03281	1.4
121.02954	1.1
123.00864	1.7
123.04506	1.4
133.02953	0.6
134.03587	0.5
150.81801	0.5
151.04007	1.1
152.01143	58.0
152.99582	6.5
153.01930	21.7
153.05544	0.5
154.02220	0.6
163.03979	1.4
165.01952	1.4
171.10280	1.4
183.13857	1.3
191.05611	0.6
193.05182	0.6
199.09637	0.6
207.10249	1.1
209.11790	1.2
211.13394	8.2
225.11305	0.7
227.35075	0.5
255.76335	0.5
293.21124	2.8
315.07092	1.2
329.49884	0.6
347.12625	2.6
361.10526	0.6
365.13724	0.9
493.20917	1.0
521.20227	0.7
559.26929	0.9
591.28052	100.0
592.18860	0.6
592.28424	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	591.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10261	0.6
59.01376	7.0
61.98825	5.6
68.98416	0.7
69.03443	0.7
71.01386	5.9
78.95901	100.0
79.02190	0.7
80.02669	1.7
81.03458	2.0
83.05028	8.3
84.02165	1.5
85.02957	2.4
87.00896	0.8
88.98834	0.8
89.02448	5.1
93.03455	1.5
95.05034	1.5
96.96956	8.6
99.00909	1.0
101.02433	3.2
109.06551	0.7
113.02442	1.4
117.94502	0.7
119.03446	0.8
123.80717	0.7
131.03503	0.7
134.98494	1.1
147.11816	0.7
149.04532	3.1
152.99580	56.8
161.02399	1.1
163.11259	5.5
165.12820	3.1
181.12346	1.3
191.05615	9.6
191.10672	1.9
209.11815	89.3
210.12154	2.9
215.94199	0.7
227.12881	13.1
363.12109	41.5
364.12543	1.7
381.13177	12.3
382.13644	0.9
399.23923	1.0
421.16879	0.8
531.28180	6.5
591.25690	46.6
592.26050	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	591.248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
61.98828	2.5
63.96222	0.6
69.03471	0.6
71.01381	8.1
71.52959	0.6
71.85885	0.5
73.02938	2.1
77.64646	0.4
78.95898	3.1
78.98582	4.2
79.95735	10.6
80.96517	57.8
83.01376	0.5
85.02949	3.8
87.00897	2.6
89.02445	2.5
92.82500	0.5
93.03465	1.3
94.67009	0.4
94.98084	13.3
96.95996	1.1
97.02943	1.0
99.00890	1.0
99.04556	0.4
101.02458	3.9
106.98087	2.5
111.00861	0.6
113.02422	1.0
122.97596	4.8
125.02435	3.4
126.89120	0.5
127.04030	0.8
134.97588	3.8
135.04503	0.8
136.99150	1.6
148.99139	4.5
149.04543	0.9
152.98607	5.2
152.99637	0.7
154.61537	0.5
164.98627	9.5
165.12836	1.0
167.00180	0.7
173.04581	0.8
182.99651	1.9
184.34729	0.4
191.05618	6.9
206.99654	3.3
209.11847	0.6
211.13400	0.8
215.86205	0.4
225.00729	17.0
243.01732	1.5
247.20799	0.5
291.19647	1.3
299.04471	2.6
349.38617	0.4
350.56586	0.4
499.29105	0.5
531.27972	0.7
591.24774	100.0
592.25061	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	591.2479
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
53.42033	0.3
59.01374	1.5
61.98823	1.6
63.96235	1.1
67.01877	0.4
67.87658	0.4
69.03476	0.8
69.34216	0.7
69.34619	2.5
71.01382	7.1
73.02945	1.8
78.95893	1.8
78.98590	5.8
79.95735	11.0
80.96515	58.1
81.03475	0.9
82.95268	0.4
85.02946	2.6
87.00873	2.3
89.02413	0.9
94.98084	13.1
96.96028	1.1
97.02952	1.6
99.00893	0.5
101.02448	3.0
106.98087	2.4
109.40658	0.4
111.00890	0.9
113.02517	0.4
122.97588	4.9
125.02438	3.7
127.04023	0.8
134.97585	4.3
136.99130	1.1
148.99130	5.4
152.98599	6.4
152.99565	0.5
161.04628	0.6
164.98621	10.4
165.12775	1.1
167.00218	0.6
182.99643	2.7
191.05597	2.4
206.99742	2.3
211.13388	0.5
225.00737	17.5
243.01805	2.1
247.20703	0.5
254.73019	0.4
291.19620	1.9
299.04349	2.7
304.61386	0.4
317.05319	0.5
531.32104	0.7
542.68274	0.5
591.24780	100.0
592.25073	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03447	1.3
58.00588	4.2
59.01379	76.6
69.42831	6.3
71.01381	41.1
72.99296	2.5
73.02933	2.2
79.05504	1.4
81.07117	1.1
83.01379	2.3
85.02953	10.3
86.87427	0.9
87.00875	2.2
88.98831	0.9
89.02443	45.7
93.03437	1.6
95.00832	1.0
95.01399	3.5
95.04958	1.5
99.04511	6.9
101.02433	22.1
111.04507	4.5
113.02448	23.7
114.02761	0.9
119.03504	18.6
120.05856	1.3
131.03513	3.7
135.04527	2.3
135.11896	1.0
143.03488	3.7
147.55011	1.0
157.06677	1.9
161.02438	1.5
161.04564	6.0
161.09700	2.1
161.13364	19.2
171.08147	1.2
172.08922	1.9
179.05612	12.8
185.09746	1.8
185.13316	1.4
187.09604	1.6
187.11284	31.6
191.05647	8.0
205.12326	50.6
206.12648	2.3
229.12305	7.4
231.10263	2.8
247.13338	1.8
249.11313	100.0
250.11639	4.5
291.12305	5.5
302.27258	1.0
351.14346	1.4
385.18604	4.2
391.17685	1.0
411.11526	1.9
411.16556	21.0
412.16876	1.1
429.17654	83.4
430.18112	7.3
552.05609	1.2
591.22986	17.6
592.23096	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	590.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
58.00596	4.7
58.36052	1.2
59.01379	100.0
61.98819	5.1
63.29884	1.1
70.02985	1.1
71.01381	64.0
72.99314	8.4
73.02941	2.2
78.95911	2.0
83.01375	2.1
83.05000	2.3
85.02944	14.2
85.06580	2.3
86.02522	1.1
86.71643	1.1
87.00881	3.2
88.04054	2.7
89.02444	82.1
95.01407	6.2
98.02471	1.8
101.02444	46.4
104.12916	1.2
108.08189	3.6
109.06639	1.1
113.02442	24.1
116.51318	1.4
119.03505	40.5
126.09245	7.9
129.89740	1.4
131.03473	4.2
138.09254	2.9
143.03487	6.0
149.04536	3.1
156.10263	3.0
161.04550	7.3
166.08673	2.2
172.37299	1.2
179.05585	15.7
184.09729	2.5
214.63297	1.3
222.62468	1.2
225.22220	14.3
253.21852	2.5
271.22717	8.4
276.97287	1.3
296.25922	4.5
306.07507	1.1
312.25296	2.1
392.31732	4.1
410.32745	48.1
411.32907	4.8
428.33746	21.3
429.34265	1.5
444.48505	1.5
498.04074	1.3
590.39099	79.5
591.39380	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	591.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
58.00584	4.9
59.01379	100.0
59.98512	1.7
62.36126	1.5
63.27546	1.7
67.87325	1.3
69.29535	11.4
69.29956	3.3
71.01382	64.9
72.99295	3.8
73.02948	2.2
76.03777	1.5
79.47549	1.5
81.07082	3.0
83.01389	5.4
85.02955	14.9
87.00906	2.9
89.02441	67.3
95.01376	5.9
96.96011	50.1
99.04515	7.6
101.02441	34.6
107.05016	2.0
111.04500	3.6
113.02442	32.9
119.03488	27.3
121.06512	2.4
125.02461	2.0
131.03477	2.4
131.26740	1.6
143.03496	5.3
149.04588	2.4
161.02487	1.6
161.04579	12.3
161.09708	3.2
161.13356	24.4
169.10281	2.0
179.05603	26.7
182.71251	1.7
185.13304	2.3
187.11278	59.1
191.05594	7.2
205.12318	71.6
206.12654	3.3
229.12346	15.2
231.10254	5.8
247.13391	9.1
249.11307	91.1
250.11655	2.6
259.13199	1.6
261.07010	1.6
273.11417	3.8
281.37097	1.7
291.12375	6.0
330.47244	1.7
351.14432	2.9
385.18732	12.2
411.16608	27.6
429.17612	74.7
430.18015	4.9
447.16946	2.0
591.22876	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	590.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.5
61.98832	13.0
69.34599	5.6
71.01381	6.3
72.99329	1.0
73.02936	1.3
79.01881	0.9
83.01397	1.6
85.02934	2.6
87.00885	1.2
89.02453	2.6
93.03473	1.0
95.01407	1.0
96.96005	0.9
99.00895	1.2
101.02433	2.1
107.01382	2.6
111.00860	1.6
113.02452	1.7
115.25228	0.8
119.03502	1.4
123.00887	8.3
124.01695	1.2
125.02457	8.7
133.02951	1.7
135.04535	1.2
136.98782	1.1
138.42891	0.8
139.00371	3.0
140.01160	1.8
141.01964	1.3
151.00351	6.5
153.01993	0.9
161.02446	2.8
168.00659	1.9
169.01411	10.3
173.04530	0.9
179.03510	1.0
191.05594	4.1
211.02576	0.9
272.63702	0.8
301.03357	1.0
313.05688	0.8
371.61923	0.8
447.09232	1.3
481.93732	1.2
527.24945	100.0
528.25397	10.7
531.27954	5.1
591.30518	1.2
609.50140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37210	0.2
59.01376	1.6
61.98829	100.0
69.87738	1.0
71.01386	1.3
78.95917	0.7
80.96510	0.5
85.02974	0.3
87.00875	0.6
89.02465	0.8
101.02453	0.9
131.03520	1.2
152.99684	0.4
166.91115	0.2
187.49844	0.2
191.05644	0.7
207.10194	0.3
225.11360	0.3
237.24919	0.2
279.23486	0.3
416.35367	0.3
554.15912	0.2
591.24884	0.9
591.33746	7.6
591.42822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03433	0.7
58.00599	0.8
59.01380	20.2
59.49225	0.5
61.34746	0.5
61.98826	2.7
63.10868	0.5
70.47794	1.6
71.01380	19.6
72.99300	1.4
73.02938	8.7
75.00854	1.2
78.95891	0.7
83.01374	1.1
85.02949	3.0
87.00887	2.7
89.02439	16.3
95.01358	0.9
97.02952	0.9
99.00876	18.7
101.02438	8.7
110.47340	0.5
111.00873	1.1
113.02458	3.1
119.03482	0.8
125.02441	1.1
131.03477	2.1
135.04547	0.5
149.04541	2.0
152.99541	0.6
161.04527	0.6
191.05603	4.2
209.11877	0.8
223.17093	1.4
277.21689	3.8
295.22809	6.0
457.28094	6.9
458.28625	0.7
547.12500	0.7
589.32263	100.0
590.32733	10.4
593.44843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04335	0.6
53.41879	0.6
55.01873	0.8
57.03440	0.6
58.00589	1.4
59.01377	23.9
61.98825	8.8
67.72929	0.6
69.03458	0.7
70.33279	0.8
71.01011	1.3
71.01382	20.8
71.52213	0.7
71.52605	0.8
72.99303	2.8
73.02950	5.3
75.00883	0.7
78.95895	2.7
83.01344	1.6
85.02947	6.0
86.00105	0.9
87.00865	5.5
89.02444	15.8
90.53588	0.8
93.42903	0.6
97.02955	0.8
99.00880	4.2
101.02435	10.3
111.00857	0.8
113.02417	3.7
119.03495	1.1
125.02450	1.5
131.03500	14.7
135.04568	0.8
138.28375	0.6
149.04533	4.1
152.99532	1.0
191.05591	8.8
207.10275	0.7
209.11792	1.3
211.13336	1.4
222.61414	0.7
237.18588	0.9
249.60730	0.7
277.21744	3.9
287.68109	0.7
295.22668	6.6
364.96820	0.8
439.27039	0.9
457.28043	6.4
571.31219	0.9
589.32245	100.0
590.32617	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	589.2651
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
56.58363	0.6
59.01358	1.4
61.98827	7.5
62.70044	0.5
68.98050	0.6
68.99863	0.7
69.03456	0.7
71.01379	2.5
73.02957	0.8
75.00877	0.9
76.66978	0.5
78.95901	0.9
79.76145	0.6
81.03465	1.3
85.02933	2.9
93.03473	1.2
93.71481	0.6
95.01388	3.0
98.20690	0.9
101.02451	0.8
108.02174	73.0
109.02956	43.1
110.03262	1.0
113.02453	1.6
121.02952	0.8
123.00911	2.9
123.04507	1.3
135.00864	0.7
143.10745	3.1
151.03958	1.3
152.01146	58.5
153.01936	20.4
162.59782	0.6
163.04016	1.4
165.01904	1.4
165.12785	1.9
169.55977	0.5
191.05637	1.1
209.11821	2.6
247.20712	0.6
291.19650	5.6
314.45605	0.6
315.07043	1.3
589.26501	100.0
590.26849	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	589.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78296	2.2
58.00580	3.3
59.01379	100.0
64.36601	2.2
66.46647	2.4
68.06886	2.5
69.51089	16.0
71.01379	54.8
73.02896	2.8
77.59093	2.4
85.02956	12.0
85.25072	2.3
89.02444	74.1
95.01389	2.8
95.53019	2.8
101.02438	28.6
113.02435	22.8
119.03493	28.8
125.02425	2.4
131.03488	4.2
143.03433	4.4
151.00340	5.8
156.08151	4.5
161.02307	2.6
161.04552	8.5
169.07703	6.5
178.99803	3.5
179.05620	18.8
185.10800	3.6
191.05597	11.5
193.01459	3.4
231.63918	2.3
265.09796	3.8
269.39667	2.5
349.15356	5.5
413.08780	12.2
497.19342	5.4
589.20459	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	589.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.7
61.98819	3.4
63.32896	0.8
67.20486	0.8
69.29780	6.6
71.01379	2.4
78.95901	100.0
80.02656	1.3
81.03456	3.2
83.05033	5.7
84.02198	1.2
85.02940	2.6
89.02464	1.8
93.03445	2.2
96.96947	9.4
97.02935	2.4
97.06568	1.0
99.00835	1.1
101.02448	1.9
108.26942	0.9
109.05904	1.3
109.06590	15.7
110.03697	1.1
125.09666	0.9
131.03535	1.3
135.04538	2.2
135.08153	2.3
142.02708	0.9
142.18137	0.9
152.99579	61.4
158.47765	0.9
163.11293	10.6
165.12781	1.8
171.00534	1.1
181.12315	4.1
191.05621	8.2
197.11873	1.1
207.10246	21.1
209.11812	50.1
210.12250	1.8
212.85461	1.0
225.11272	15.5
227.12866	9.3
361.06168	1.6
361.10553	23.8
362.10876	1.9
363.12115	26.6
364.12500	1.5
379.11508	8.6
381.13168	8.8
529.26477	1.6
589.24121	42.5
589.32184	2.9
590.24304	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	588.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.4
61.60254	0.3
61.98827	100.0
64.17747	0.3
66.27298	0.3
71.53352	0.6
73.28249	0.3
81.60899	0.3
90.82045	0.3
100.74208	0.3
115.30457	0.3
122.91823	0.3
125.02528	0.3
127.02216	0.3
134.03758	0.3
154.69307	0.3
164.07240	0.4
169.01469	0.4
169.41252	0.3
179.05582	0.5
179.07074	0.7
191.05585	4.1
266.00262	0.3
280.84766	0.3
317.27032	0.3
337.09338	0.5
378.10849	0.3
383.13507	0.4
465.06677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52275	0.2
59.01385	0.6
61.98830	100.0
71.01388	0.5
71.10563	0.3
75.76725	0.2
76.23756	0.2
78.95937	0.2
85.02959	0.5
87.15594	0.2
87.78783	0.2
89.02444	0.3
93.03483	0.3
96.96028	0.4
101.02444	0.2
119.80698	0.2
125.02457	0.3
135.04538	0.7
149.02412	0.2
150.03241	0.6
161.02426	0.4
161.05925	0.2
165.05600	0.6
166.05888	0.2
179.03546	0.4
187.38869	0.2
189.05542	0.2
191.05618	1.5
195.06598	0.2
213.97664	0.2
215.78442	0.2
229.45465	0.2
257.08279	0.2
265.34906	0.2
275.57114	0.2
308.30789	0.2
344.76358	0.2
413.08841	0.5
486.70117	0.2
529.26703	0.7
537.71271	0.2
545.16852	0.3
589.20441	0.3
589.29022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59100	0.6
57.03426	0.5
58.00582	1.1
59.01376	24.7
59.21967	0.6
61.98822	2.2
69.03440	0.5
69.34130	4.9
69.34457	0.7
71.01378	21.4
72.99296	1.7
73.02940	9.2
74.82310	0.5
78.95890	3.4
83.01395	1.1
85.02965	3.2
86.00006	0.6
87.00873	3.2
89.02441	21.3
95.01408	0.7
97.02937	1.3
98.20682	0.9
99.00872	16.3
101.02438	10.7
105.49107	0.6
109.06557	1.3
113.02447	2.6
119.03460	0.7
125.02441	1.6
131.03496	10.6
149.04538	6.4
152.99545	2.3
161.04506	0.7
171.10231	1.1
183.10255	0.7
191.05597	8.8
197.11920	0.7
207.10237	1.5
223.16977	0.6
225.11380	1.1
275.20132	2.9
277.21707	0.9
293.21210	7.6
361.10504	2.4
379.11612	0.7
426.84875	0.5
455.26538	2.3
485.62833	0.5
571.06171	0.6
587.30676	100.0
588.31128	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	588.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34454	1.1
51.29234	1.2
54.06735	1.3
57.64820	1.1
58.02956	2.6
59.01394	1.3
61.98828	92.3
69.56908	8.0
70.02973	1.6
85.02953	4.9
91.05553	1.8
93.03458	3.5
98.27692	1.2
111.06699	1.4
117.55910	1.2
119.05002	1.2
125.02439	2.4
127.04025	2.2
145.02986	1.6
147.04507	4.8
151.89001	1.2
163.03954	1.6
164.07138	16.0
169.01463	1.3
172.82155	1.3
191.05603	100.0
192.05902	2.1
206.08202	21.8
240.38925	1.3
254.69284	1.2
337.09216	18.8
442.10312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44099	0.5
59.01382	1.2
61.98830	6.9
70.10754	0.6
71.45304	1.1
78.95910	2.8
96.96951	3.5
99.92583	10.6
100.93356	6.3
106.81224	0.6
115.92075	100.0
116.92090	3.4
116.92871	6.9
143.10733	1.1
144.75354	0.7
191.05629	1.2
207.10231	1.4
485.32870	0.8
487.34372	2.1
489.35312	0.8
507.25241	0.7
569.25964	2.2
571.23761	2.1
587.26782	66.5
588.27155	9.8
601.24670	13.3
602.24847	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03434	0.6
58.00573	1.4
59.01379	27.1
61.98820	1.8
66.04092	0.5
69.03437	0.8
71.01379	23.9
72.17531	0.5
72.99294	1.7
73.02936	6.1
77.80786	0.6
78.95907	4.8
81.03449	0.6
83.01374	1.4
85.02959	5.0
86.00087	1.3
87.00873	7.2
89.02445	22.9
95.19354	0.5
96.96008	0.5
96.96940	0.6
97.02921	1.3
99.00871	7.4
101.02440	12.2
109.06573	1.3
113.02430	3.3
115.15381	0.5
119.03481	1.0
131.03510	23.5
149.04549	9.1
152.99567	2.2
163.11176	0.6
171.10179	1.0
176.78899	0.6
183.10188	0.8
185.78052	0.6
191.05595	14.1
192.06050	0.6
197.11797	1.3
207.10248	1.8
225.11342	1.2
232.20837	0.5
251.07750	0.6
275.20059	2.8
277.21701	1.3
293.21185	6.3
327.45401	0.6
361.10672	2.3
379.11539	0.7
394.96902	0.6
455.26584	1.3
587.30670	100.0
588.31018	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	587.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12103	0.5
59.01359	3.7
60.99303	17.1
61.80878	0.5
61.98828	26.4
70.21033	1.9
71.01387	1.3
78.75683	0.5
81.48063	0.5
84.95214	0.6
85.02930	0.7
87.00871	1.2
88.00405	2.3
88.98804	100.0
89.02435	8.9
93.03456	1.6
96.95990	1.3
98.26677	0.5
101.02428	0.9
112.05930	0.5
135.04500	1.3
171.10297	2.7
191.05608	5.9
197.11882	2.1
204.84938	0.5
209.11795	0.7
213.15013	0.7
257.38174	0.5
310.04471	0.6
330.82434	0.6
484.39017	0.7
587.13538	1.6
587.31732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42688	0.8
61.98830	9.8
63.20570	0.9
72.11031	0.9
78.95893	4.8
83.62424	0.8
94.70390	1.0
96.96953	2.8
99.92590	12.5
100.92712	1.0
100.93351	4.3
107.05038	2.7
115.92075	100.0
116.92074	4.1
116.92849	6.2
132.92342	1.0
145.46353	0.8
152.99593	1.0
165.12805	0.9
191.05470	1.0
291.19693	3.0
357.13211	1.0
384.51135	0.9
415.61813	0.9
487.34198	1.7
525.27142	1.1
571.23956	2.2
587.26764	61.0
588.27057	8.9
601.24701	16.3
602.25055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98839	1.2
67.01899	0.4
69.03448	1.6
70.38081	0.3
70.38477	0.3
71.01392	0.4
79.01911	0.5
81.03468	0.6
85.02945	0.3
89.02457	0.2
93.03471	0.4
95.01411	0.6
96.96033	0.4
97.02954	1.4
101.02467	0.2
107.01392	10.7
108.01696	0.2
111.00881	0.3
116.79771	0.2
120.76690	0.2
121.02949	1.9
123.00901	1.2
124.01677	0.5
125.02446	55.7
126.02794	1.1
133.02963	0.3
134.03760	0.4
135.04526	0.5
137.02557	0.2
139.00371	0.5
140.01158	0.2
149.02374	0.3
149.06032	0.2
150.03217	0.7
151.00363	0.5
154.45749	0.2
161.02443	0.7
165.05583	0.6
169.01419	100.0
170.01765	2.4
179.03493	0.2
180.04031	0.2
191.05650	1.6
193.01335	0.2
193.05022	0.4
195.06586	0.4
209.08215	0.2
227.03363	0.2
255.06699	0.2
267.13916	0.2
391.17490	0.2
417.08215	2.2
435.09308	1.6
539.22363	0.2
587.10065	2.1
587.24878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01368	3.3
69.79871	3.1
69.80275	1.6
71.01386	0.9
71.05019	1.1
79.86541	0.8
80.02659	1.2
81.03451	2.3
83.05047	0.9
88.43424	0.8
95.05003	2.3
97.02940	2.9
97.06570	1.8
109.06574	1.9
110.03706	1.1
112.05353	0.8
121.06590	0.9
123.04499	3.0
123.08177	2.0
125.09739	6.2
127.07657	1.1
135.08131	2.6
136.05260	1.0
137.06049	1.0
137.09702	3.3
141.05600	4.7
153.09238	9.5
162.10522	1.0
163.11290	6.7
165.09203	1.7
171.10271	12.5
177.12831	1.3
179.10699	1.3
181.12366	1.9
185.11806	8.8
191.14409	9.8
197.11769	2.9
207.10208	3.9
209.11856	6.6
210.44028	1.0
211.13365	2.3
217.16011	1.4
225.11353	4.3
235.20351	0.9
243.17444	1.1
245.19087	21.7
246.19380	1.8
263.20139	1.0
263.84460	0.9
271.16876	1.6
273.85181	0.9
277.21725	36.0
278.22086	2.5
279.19775	1.0
289.18094	100.0
290.18451	6.4
307.19138	92.7
308.19467	6.2
325.03769	1.0
325.20193	22.5
330.20438	0.8
395.29538	1.3
426.28256	1.0
445.64941	1.2
523.41321	1.4
549.39374	3.1
567.40619	4.8
585.41425	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	585.416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01355	0.7
70.11877	2.2
83.05016	0.7
97.06543	0.8
99.43248	0.5
109.06528	0.5
111.08150	1.7
125.09738	1.1
127.11294	1.0
145.84204	0.5
151.11255	1.4
153.09143	0.5
153.12874	3.2
155.10809	0.8
158.74187	0.6
165.12805	1.0
165.79973	0.5
167.10760	1.8
169.12312	0.9
171.10411	0.6
177.12830	0.7
179.14357	1.4
181.12354	2.3
195.13829	2.9
197.11774	2.8
199.13420	0.7
207.13910	1.1
223.13397	2.4
227.12865	0.8
241.14360	0.6
247.20671	3.9
263.20032	0.8
273.18640	2.0
275.20078	2.4
281.21176	1.1
291.19656	29.6
292.20081	1.6
293.21225	35.1
294.21579	2.2
300.06573	0.6
309.20688	100.0
310.21039	6.9
475.33960	0.8
549.39087	0.5
567.40497	8.4
568.40784	1.2
585.32373	0.9
585.41602	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	584.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94652	0.2
61.98829	100.0
67.05569	0.2
70.86712	0.2
71.54052	0.3
74.48563	0.2
75.54657	0.2
79.38962	0.2
105.65935	0.2
119.45326	0.2
121.43902	0.2
141.61783	0.2
142.53975	0.2
161.02423	0.3
164.50931	0.2
172.01857	0.2
188.41786	0.2
191.05713	0.6
521.16803	0.4
603.41718	0.3
605.78198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45862	0.2
59.01372	0.3
61.98827	100.0
71.01399	0.2
71.30114	0.3
114.05722	0.2
125.02426	0.3
125.54978	0.2
135.04552	0.3
150.03215	0.6
160.86192	0.2
165.05583	0.3
180.11824	0.2
191.05667	0.8
297.83667	0.2
484.30075	0.3
492.28772	0.3
511.34448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40188	0.7
59.01366	1.4
61.98825	13.1
71.01366	0.9
71.10555	1.2
71.10889	1.1
72.75864	0.7
77.03952	0.9
85.02926	1.2
90.94057	0.6
93.03450	5.6
95.01351	0.8
105.03455	1.4
121.02962	5.4
122.03736	15.6
123.04539	0.8
131.72076	0.8
132.02196	0.9
133.02975	1.5
136.01637	1.3
137.02451	0.8
149.02435	35.9
150.03220	95.4
151.03607	4.3
160.01544	0.8
161.02481	1.4
164.04791	7.9
165.05557	100.0
166.05859	4.7
168.54648	0.7
175.04034	0.7
179.03505	1.6
179.07147	1.1
180.04242	6.2
191.05612	12.4
194.05737	0.8
195.06612	66.9
196.06958	3.3
209.11981	0.9
223.09959	0.9
242.09566	0.9
257.11630	1.0
270.09000	1.5
283.09851	1.3
284.07004	0.8
285.11383	1.8
297.11615	0.8
298.08472	0.9
299.09238	1.8
299.12854	0.7
311.09210	0.9
313.10803	1.1
314.07843	2.3
325.10718	1.8
326.11362	1.0
327.12308	4.5
328.13089	7.7
329.10217	6.5
341.10315	8.7
342.10916	0.9
343.15448	1.5
344.12576	8.7
345.13113	1.0
356.12714	1.8
357.13388	1.4
359.14957	24.5
360.15619	1.3
371.14969	18.1
372.15518	1.2
461.16214	1.4
463.17325	1.7
481.87292	0.8
492.17007	0.8
507.20163	9.9
508.20630	0.8
519.20508	1.6
537.21234	53.2
538.21381	5.0
585.23810	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	584.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98828	100.0
69.03464	0.5
69.73827	0.9
69.74241	0.5
71.01386	0.5
80.91672	0.3
82.04989	0.2
83.01392	0.3
85.02978	0.6
89.02496	0.4
93.03477	0.8
96.96040	0.7
98.19872	0.3
101.02407	0.4
107.01392	0.4
119.05045	1.3
121.02934	0.3
123.00802	0.4
124.01601	0.3
125.02450	1.4
132.02185	0.3
133.03020	0.4
134.06143	0.3
135.04575	0.6
137.02432	1.0
143.05013	0.3
145.02968	0.4
148.04063	0.4
149.02391	0.3
149.99638	0.3
150.03271	1.0
151.00378	0.3
151.03975	0.8
161.02475	2.2
162.49123	0.3
163.03998	2.3
165.01974	0.3
165.05579	1.1
166.05969	0.3
168.00688	1.0
169.01459	1.2
179.03455	2.1
180.03938	1.0
185.06113	0.3
191.05565	2.8
191.07098	0.3
192.05971	0.4
194.05894	1.2
195.06456	1.2
209.08162	1.7
210.08456	0.6
227.07233	0.3
261.33859	0.3
282.26797	0.3
286.04269	0.3
313.05667	0.5
388.14172	0.3
400.26013	0.2
464.11792	0.4
490.16251	0.3
508.17303	0.4
536.20514	0.8
566.23358	0.5
584.13776	1.2
584.23956	0.9
585.12726	2.0
585.22327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4002
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
57.03439	2.0
80.02705	2.0
81.03459	3.0
83.05016	7.0
97.06605	4.1
105.30230	1.8
107.05019	12.1
109.06567	3.1
112.11111	1.9
121.02967	2.4
123.08168	2.4
125.06052	2.7
125.09734	13.8
135.08134	11.3
137.05977	2.4
153.09204	11.0
163.11284	6.0
165.12842	1.9
176.08488	2.2
178.10046	2.5
185.11870	11.3
191.10762	2.7
197.11803	13.6
207.10254	6.2
209.11813	71.4
210.12042	3.1
210.69073	1.8
211.13345	3.0
225.11295	6.5
227.12950	1.9
236.10507	2.9
243.17494	4.5
261.18411	3.6
263.16336	2.2
277.21722	11.1
287.16550	9.9
288.23264	1.9
303.99356	1.7
305.17563	100.0
306.17844	5.4
306.87930	1.7
323.18619	30.5
367.26437	11.2
385.27554	4.7
395.29501	5.2
469.33029	3.3
521.40204	3.4
547.37640	3.4
560.56317	1.9
565.38953	39.6
566.38849	3.7
583.39850	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	584.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98828	100.0
66.01984	0.3
69.80338	0.3
71.01395	0.7
72.16623	0.2
73.03617	0.3
83.05067	0.3
85.02961	1.1
88.98799	0.4
89.02473	0.3
93.03458	1.5
98.20892	0.4
98.21124	0.3
101.02500	0.5
110.84045	0.3
121.02959	0.7
122.03775	0.7
125.02470	0.4
125.77163	0.3
127.04001	0.4
131.96783	0.3
133.03012	0.4
137.02448	0.6
149.02448	0.8
150.03236	6.3
150.14339	0.3
151.03589	1.4
165.05545	6.1
166.05879	1.4
173.04567	0.4
180.04297	0.5
191.05603	7.5
191.07152	0.5
192.05984	0.3
195.06615	3.9
196.06953	1.3
209.11830	0.6
225.05559	0.4
228.07652	0.5
229.07718	0.3
229.33905	0.3
283.13501	1.0
344.12546	0.3
357.13300	0.4
358.13626	0.4
359.15140	0.5
370.13931	1.0
371.15100	0.6
398.72147	0.3
473.84177	0.3
585.23553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
60.99300	0.8
61.98831	3.5
64.50670	0.6
69.31338	3.6
69.31749	1.9
72.69063	0.6
73.17129	0.7
85.02936	0.8
87.00885	1.0
88.98803	4.0
93.03473	5.4
108.02163	0.8
109.02962	1.1
121.02945	5.3
122.03735	15.3
125.02476	1.5
133.02962	1.6
135.04539	0.9
136.01645	3.0
137.02411	2.3
146.03775	0.9
149.02441	32.6
150.03223	94.0
151.03798	2.8
161.02399	1.8
164.04807	5.4
165.01913	3.6
165.05568	100.0
166.05904	2.5
169.01369	1.4
177.05588	1.6
179.03503	1.9
179.07243	1.1
180.04274	6.9
190.06390	1.1
191.05640	3.1
195.06625	59.0
196.06952	2.5
222.05379	0.9
225.07655	1.4
238.06320	0.8
268.07462	2.4
269.08124	0.8
280.07391	1.0
282.88153	0.7
283.09656	1.6
284.07089	0.8
294.08984	0.8
295.06372	0.9
295.09729	1.0
296.06964	1.2
297.11206	0.9
299.09454	1.4
308.06976	1.9
308.10425	1.4
309.07690	1.7
310.08707	0.9
312.06396	2.5
323.09332	2.6
324.06427	1.4
324.09943	1.9
325.10941	3.7
326.11520	3.3
327.08713	6.6
327.12088	1.0
328.09482	0.9
338.11523	1.4
339.08734	7.5
339.12415	2.7
340.09262	1.1
341.14130	1.1
342.11047	4.9
343.11752	0.9
354.11111	2.9
355.11792	1.1
357.13434	20.8
358.13831	1.0
369.13458	20.8
370.13721	1.4
457.13293	1.1
461.16043	1.9
472.15546	1.0
487.17819	1.3
505.18799	7.2
506.19287	0.8
517.18994	2.4
535.19690	40.4
536.20313	5.1
583.22412	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	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67373	0.1
52.42089	0.2
61.98828	100.0
69.32183	1.0
78.95906	0.5
100.29788	0.1
128.48006	0.1
152.99550	0.4
168.04330	0.2
217.76602	0.1
279.23309	1.3
280.23801	0.3
388.31659	0.2
497.20990	0.2
504.30899	1.3
507.32202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35091	0.1
59.01375	0.2
61.98829	100.0
62.93773	0.1
62.98544	0.2
67.90836	0.1
69.23825	0.6
69.24255	0.6
78.95915	0.5
79.94122	0.1
84.08080	0.1
104.89000	0.1
110.85206	0.1
120.11105	0.1
146.31021	0.2
152.99617	0.5
197.11836	0.3
241.10805	0.3
279.23264	2.5
280.23700	0.7
281.24002	0.6
282.24326	0.3
504.30957	0.7
505.31628	0.2
507.31955	0.3
581.28070	0.2
608.40430	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67149	1.3
61.98830	100.0
71.53698	2.3
78.95930	1.3
84.93369	1.4
107.87299	1.3
164.91788	1.4
191.05544	1.7
209.11896	3.0
213.11166	2.1
233.39691	1.6
302.86514	1.5
305.17599	3.3
323.18518	2.5
519.30078	1.9
582.29388	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	581.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85903	0.6
59.01377	100.0
60.01708	0.6
61.98836	0.9
65.15282	0.6
66.89988	0.6
69.59396	1.1
69.59805	3.1
71.01382	1.0
81.91643	0.6
85.02943	0.6
99.92587	1.5
110.13273	0.6
116.92849	13.6
117.79065	0.7
121.02991	1.6
135.04608	0.9
137.02527	0.6
147.04475	0.7
161.02512	0.8
166.02795	1.3
172.66496	0.6
175.04053	1.9
177.05615	0.6
180.04303	1.0
181.05045	1.2
189.05594	1.5
190.06430	2.5
191.05646	3.2
191.07193	1.3
192.08139	0.8
193.05054	1.0
205.08760	2.4
207.06628	1.3
208.07419	1.3
235.28612	0.6
242.96429	0.6
255.10298	1.3
269.08136	8.4
281.08273	1.4
283.09818	3.3
299.09265	5.6
311.09265	9.0
312.09732	0.7
314.11502	13.1
314.14697	0.9
315.11948	1.0
325.11002	1.6
326.11520	7.2
329.13913	45.6
330.14185	3.1
341.13916	27.4
342.14453	2.7
359.15082	0.9
389.16064	12.3
390.16235	1.0
419.17062	4.4
467.31387	0.7
521.26428	2.2
581.15808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
63.96222	0.8
68.85410	0.4
69.03436	0.8
69.55305	2.7
71.01380	6.7
73.02943	1.5
74.14481	0.4
75.54469	0.3
77.50456	0.4
78.95878	0.8
78.98592	4.7
79.95736	9.3
80.96515	58.1
81.03468	0.7
85.02946	2.4
87.00872	2.3
88.74276	0.4
94.98082	15.3
96.96006	0.9
97.02942	1.5
98.20642	0.5
101.02422	2.7
106.98095	2.4
111.66948	0.4
113.02424	0.6
122.97583	5.3
125.02435	2.9
126.20564	0.4
127.04019	0.8
134.97539	3.6
136.99124	1.2
148.99124	5.5
152.98631	6.2
164.98608	10.5
178.99985	0.5
182.99657	2.3
204.64388	0.4
206.99710	3.0
225.00719	14.6
226.00912	0.4
243.01767	1.7
281.24881	2.6
283.26428	3.0
299.04440	2.5
322.06686	0.4
359.87439	0.5
508.34048	2.0
581.29962	100.0
582.30267	8.4
582.39404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.56023	0.4
59.01376	4.5
60.99306	0.6
61.98822	3.7
65.03375	0.4
67.01878	1.9
67.92047	0.4
69.03445	1.2
69.79868	1.8
69.80286	0.9
71.01382	3.8
73.02957	0.6
75.00864	2.1
78.95907	0.5
80.79860	0.5
81.03416	1.0
83.04999	0.8
85.02946	8.8
87.00874	3.9
89.02435	2.0
93.03455	14.8
99.00876	0.5
101.02449	1.9
101.48243	0.4
108.02164	1.0
109.02925	2.3
111.00918	0.6
111.04507	2.8
113.02424	0.7
119.03498	0.7
121.02953	0.6
123.04507	1.0
125.02439	3.2
127.03995	2.3
129.01997	0.5
133.86226	0.4
134.03767	1.1
135.04521	1.0
137.02440	14.6
151.04012	1.5
153.01831	0.5
155.03505	0.9
159.04501	1.0
161.02458	0.5
169.01382	2.8
171.02986	0.7
173.04559	4.6
174.03178	0.5
174.06905	0.5
175.03967	0.5
179.03493	7.3
179.10782	0.7
180.04131	0.6
184.77644	0.5
187.03986	1.8
187.07716	0.7
191.05603	100.0
192.05995	2.2
192.20508	0.5
194.05847	6.0
195.06554	0.5
197.06087	1.2
209.08167	6.8
225.14941	1.1
299.16339	2.1
309.14908	2.4
317.17578	0.9
327.15942	4.6
345.17050	2.1
353.13776	0.8
371.14911	4.6
389.16016	0.7
419.17270	0.7
443.19189	20.8
444.19531	1.6
466.15952	0.5
563.21130	2.4
581.22388	16.8
581.35455	5.7
582.22754	1.9
582.35522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
51.83543	0.8
52.22685	1.0
57.95086	0.9
59.01380	7.9
61.98832	6.1
67.01862	1.2
68.99825	1.5
69.03448	5.4
69.24152	9.3
71.01385	4.2
73.02916	1.3
79.01897	2.1
81.03451	2.0
83.01383	2.6
85.02944	4.0
87.00887	2.4
88.98771	1.3
89.02454	3.7
91.42701	0.9
93.03474	6.8
95.01385	2.6
97.02931	6.0
101.02425	1.7
107.01395	2.9
108.02166	1.7
109.02962	1.7
111.04514	4.7
113.02417	1.7
121.02950	2.8
123.00893	11.0
123.04542	1.9
124.01664	28.5
125.02449	72.6
126.02785	1.8
135.04523	1.1
136.01624	1.1
137.02451	5.0
139.03992	1.1
139.62791	1.0
145.02881	1.1
147.04526	1.0
149.02420	3.1
149.99588	34.1
150.03220	15.1
151.00398	4.6
151.04016	2.2
153.01959	1.1
155.03502	12.5
161.02339	1.7
161.04555	1.1
162.03168	1.2
163.04019	1.3
164.04765	1.4
165.05579	18.8
167.03514	1.4
168.00648	69.1
169.01434	19.0
173.04536	3.4
177.05530	1.2
179.03545	1.2
179.10762	2.5
191.03716	1.6
191.05611	24.0
192.04317	1.7
193.05075	2.1
195.06615	3.1
207.06682	1.3
209.08144	0.9
211.13458	1.1
225.07550	2.2
233.01318	1.0
242.42926	0.9
285.00342	3.0
287.07751	1.1
304.99097	1.1
313.05460	2.0
327.16248	1.6
331.06738	2.1
369.15363	1.5
371.14948	4.3
387.12668	2.3
425.11282	1.1
429.17258	1.6
434.02734	3.1
435.03778	1.9
489.21768	1.4
563.21533	5.3
581.09277	4.5
581.22650	100.0
581.36389	2.8
582.22986	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12015	6.2
59.01373	58.0
61.98829	100.0
69.33160	45.3
71.01366	38.5
85.02938	13.5
89.02453	51.4
93.03426	7.6
101.02424	20.4
113.02484	13.9
119.03480	10.9
124.07690	6.3
125.02451	11.6
133.01466	6.7
135.04488	8.9
141.98849	5.8
151.00409	5.7
166.22531	6.0
179.60718	6.4
191.05548	44.9
203.58192	5.5
243.57605	6.1
259.53299	5.8
283.09772	10.4
311.09167	25.8
329.12241	7.8
341.13904	26.0
581.21045	9.0
581.31042	15.5
593.99152	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	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16679	2.0
54.20955	2.1
59.01372	24.3
61.98816	4.1
69.03442	3.9
71.01388	25.4
73.02944	7.4
83.01376	3.5
85.02942	8.4
87.00861	5.6
89.02440	21.9
93.03461	21.0
99.00872	4.0
101.02435	11.0
113.02455	5.1
115.04018	3.2
119.04971	2.0
121.02934	8.2
123.00851	3.3
125.02445	18.3
131.03506	3.6
137.02452	18.9
138.82033	2.0
149.04552	2.8
169.01427	5.4
173.04483	6.3
180.74991	2.3
191.05594	22.9
227.07124	6.5
233.06436	4.4
287.22241	21.5
293.08704	15.8
413.10641	10.6
431.26187	5.1
449.27518	27.0
563.21332	9.1
581.22003	6.6
581.31671	100.0
582.32123	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	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
55.71011	1.0
59.01382	1.2
61.98830	4.2
62.34748	1.2
62.96407	1.5
71.01056	1.5
71.01374	2.2
78.95902	100.0
80.96503	1.9
96.96957	3.3
98.94118	1.2
99.92574	14.6
100.93351	2.9
115.92071	31.8
116.92088	1.9
116.92850	30.9
143.14432	1.0
150.98018	3.6
152.98383	1.6
152.99576	23.6
155.95132	1.2
162.88934	1.7
163.89714	2.4
171.00638	11.3
172.95462	7.9
178.88420	18.2
179.89209	36.7
180.90012	27.4
181.90862	1.6
194.87897	4.1
196.89481	43.7
204.90005	1.5
205.90767	5.3
206.91545	3.6
208.89476	1.4
218.91507	1.3
221.90271	2.8
234.90910	1.5
235.91812	9.6
236.92601	34.0
237.92778	1.2
252.92029	3.9
253.92889	2.5
268.87753	1.2
270.93115	1.5
276.95673	3.4
278.93622	6.7
292.95209	4.1
308.94690	1.7
310.96359	9.5
311.96548	1.5
326.95746	1.2
409.16934	1.4
473.13974	6.5
490.14258	6.9
533.16150	4.5
545.16040	5.7
562.37762	1.1
563.16864	7.5
581.18219	83.8
581.29407	3.9
582.18311	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54222	1.2
59.01378	67.0
61.98812	4.2
69.03443	4.8
69.57780	2.7
69.58185	7.5
71.01379	48.3
72.99308	2.7
73.02940	3.5
76.12346	1.3
76.57947	1.1
81.03458	1.5
83.01384	2.6
85.02958	7.3
87.00858	3.7
89.02444	58.5
93.03455	86.3
94.03799	2.0
95.01375	4.0
97.02941	3.1
98.20692	1.3
99.00858	1.8
101.02435	11.8
105.57442	1.6
107.05031	4.4
108.02168	2.8
113.02437	8.8
115.92106	1.5
119.03435	1.4
121.02952	47.1
124.01602	1.6
125.02445	30.9
126.02744	1.4
131.03493	13.5
134.93080	1.4
135.04503	1.8
136.01666	2.4
137.02444	65.6
138.02808	1.4
143.03459	3.9
149.04539	13.8
149.99568	1.7
150.03227	2.1
151.04007	3.9
161.04541	3.2
165.05499	2.4
168.00597	2.5
169.01411	2.6
173.04489	3.5
179.03520	2.5
191.05606	19.7
194.05940	1.6
197.04436	1.8
197.06058	13.6
199.07594	4.7
209.08237	1.8
227.07115	100.0
228.07431	6.1
248.48994	1.3
281.06638	33.4
287.22302	3.8
293.08740	16.2
371.14816	1.6
379.16168	1.5
380.41269	1.5
413.10986	14.1
449.27707	2.7
476.82043	1.4
535.11841	1.3
563.21326	6.2
581.20862	7.1
581.31726	14.3
582.32104	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	581.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24506	6.8
50.64400	8.0
59.01377	33.3
69.03461	71.8
69.75970	15.5
69.76379	30.0
72.13079	8.2
95.05035	11.8
98.19920	9.8
101.12857	6.9
108.98540	6.8
110.71508	6.5
126.40334	8.8
138.89984	6.8
183.06570	16.6
187.57130	7.3
191.05583	100.0
192.06096	8.3
255.35657	7.7
353.08710	17.8
401.63739	7.0
402.70679	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	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.1
61.98824	3.6
78.95900	29.9
80.96507	2.6
96.96009	1.4
99.92545	0.8
115.92032	3.4
116.92860	2.4
119.05024	1.3
122.98549	0.8
145.02962	3.4
152.99596	6.1
168.04294	2.4
171.00621	1.4
178.88330	1.0
179.89220	3.9
180.89951	2.7
191.05582	1.3
196.89476	4.2
224.06882	9.9
235.91945	0.8
236.92584	2.8
242.07933	1.4
271.30066	0.8
281.24835	100.0
282.25226	7.6
310.96323	0.8
435.43140	0.8
481.39435	0.9
506.32486	65.9
507.32895	5.7
580.29175	3.9
581.18256	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25506	4.3
57.80513	3.5
58.47120	4.3
59.01355	9.9
60.74944	3.6
60.92490	4.0
69.03446	23.7
69.30952	11.9
69.31369	21.3
71.01394	5.6
77.82999	3.7
83.01366	6.2
85.02948	3.9
87.00835	13.2
93.03441	7.7
95.04974	4.9
96.87566	3.6
97.02943	100.0
99.00877	24.3
109.02935	13.5
111.00852	4.4
111.04552	4.2
113.30060	4.5
115.00349	34.5
123.04517	35.3
133.02989	5.3
135.04492	6.4
139.00342	6.3
141.01889	4.7
147.04501	9.0
148.05243	5.0
149.06075	87.4
161.02412	37.7
163.04044	4.8
165.01900	5.7
165.05498	5.6
167.07129	14.8
175.02448	17.8
175.03963	18.9
177.01894	38.9
189.05589	6.4
191.05591	82.0
193.05055	13.4
206.02277	8.9
219.02953	32.8
227.01854	4.6
233.04535	35.4
237.04007	41.9
277.03519	58.7
293.06668	15.4
319.04691	19.8
337.05615	88.1
337.09149	4.4
350.35303	5.0
501.51181	4.8
553.88226	4.8
576.99731	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29094	0.1
59.01374	0.4
61.98828	100.0
69.86063	0.5
78.95911	0.5
115.32846	0.1
122.40311	0.1
145.51808	0.2
152.99557	0.5
161.35620	0.1
166.60622	0.1
235.62840	0.1
277.21680	2.1
278.22058	0.9
279.22418	0.6
280.22610	0.3
334.37289	0.2
410.47638	0.1
439.38577	0.2
502.29578	0.8
505.30191	0.2
579.30713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
59.10526	0.1
61.98830	100.0
78.95913	1.1
90.15883	0.1
117.22250	0.1
121.94589	0.1
138.80325	0.1
152.99615	0.5
191.05626	0.3
277.21716	1.5
278.22079	0.7
279.22351	0.3
284.03326	0.2
287.50797	0.2
502.29434	0.9
503.29968	0.2
505.30045	0.6
579.29584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.8
61.98828	4.2
71.01356	0.8
78.59946	0.3
78.95901	7.7
79.95728	0.9
80.96516	5.2
82.96112	0.3
83.34356	0.3
85.02909	0.5
92.33424	0.3
94.97572	0.3
94.98064	1.7
96.95992	0.3
99.92584	0.3
106.98055	0.5
115.92044	0.8
116.92862	0.7
122.97596	0.5
123.75887	0.3
145.02939	0.7
146.03310	0.4
148.99080	0.3
152.98508	0.4
152.99579	1.2
160.42760	0.3
164.98613	0.7
168.04247	1.3
171.00444	0.3
179.89198	0.9
180.89955	0.4
182.99689	0.3
196.89468	0.9
224.06918	1.0
224.48108	0.3
225.00691	1.1
236.92581	0.6
242.07922	2.3
281.24826	100.0
282.25171	7.1
506.32498	26.0
507.32916	2.8
580.28821	9.1
581.18164	1.5
581.27856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
57.03434	3.5
58.00579	3.4
59.01380	84.6
60.62710	0.9
61.98576	1.0
61.98832	9.7
71.01382	58.3
71.11039	1.4
72.01726	1.1
72.99303	3.4
73.02949	11.5
83.01377	5.4
85.02954	22.3
87.00867	4.1
89.02443	36.6
93.03429	2.7
95.01402	4.1
96.96023	8.0
97.02956	2.2
99.00863	5.8
101.02441	38.4
107.04952	1.2
108.02162	1.7
109.02944	2.0
111.00890	1.2
113.02450	22.4
119.03497	17.7
121.02962	3.9
122.03734	1.1
125.02431	6.7
126.68457	1.1
129.01935	1.9
131.03513	1.4
133.02916	1.7
134.03793	0.9
135.04489	3.1
136.01659	40.6
137.02472	4.8
143.03494	4.5
147.04498	1.1
149.02399	1.2
151.04007	64.1
159.03012	2.1
161.02420	4.0
161.04549	15.3
162.03220	1.9
163.04010	2.1
166.02731	4.9
169.01437	5.5
173.04562	1.8
173.06065	1.1
175.03943	1.2
175.07626	1.5
177.05421	1.1
179.03474	2.6
179.05615	6.8
181.05092	6.3
191.05609	13.0
191.45554	1.0
192.05872	1.5
196.11557	1.1
244.85973	1.0
259.32138	1.1
281.08154	2.3
282.08981	1.4
284.03543	1.3
296.10410	1.5
297.11285	2.7
311.12927	1.1
327.12366	1.5
342.11005	6.0
357.13403	82.4
358.13712	7.5
387.10812	4.2
417.15805	14.1
417.24875	30.1
417.28995	0.7
417.30591	1.1
418.25125	1.8
482.07303	1.3
579.30219	100.0
580.30475	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
57.03434	3.5
58.00579	3.4
59.01380	84.6
60.62710	0.9
61.98576	1.0
61.98832	9.7
71.01382	58.3
71.11039	1.4
72.01726	1.1
72.99303	3.4
73.02949	11.5
83.01377	5.4
85.02954	22.3
87.00867	4.1
89.02443	36.6
93.03429	2.7
95.01402	4.1
96.96023	8.0
97.02956	2.2
99.00863	5.8
101.02441	38.4
107.04952	1.2
108.02162	1.7
109.02944	2.0
111.00890	1.2
113.02450	22.4
119.03497	17.7
121.02962	3.9
122.03734	1.1
125.02431	6.7
126.68457	1.1
129.01935	1.9
131.03513	1.4
133.02916	1.7
134.03793	0.9
135.04489	3.1
136.01659	40.6
137.02472	4.8
143.03494	4.5
147.04498	1.1
149.02399	1.2
151.04007	64.1
159.03012	2.1
161.02420	4.0
161.04549	15.3
162.03220	1.9
163.04010	2.1
166.02731	4.9
169.01437	5.5
173.04562	1.8
173.06065	1.1
175.03943	1.2
175.07626	1.5
177.05421	1.1
179.03474	2.6
179.05615	6.8
181.05092	6.3
191.05609	13.0
191.45554	1.0
192.05872	1.5
196.11557	1.1
244.85973	1.0
259.32138	1.1
281.08154	2.3
282.08981	1.4
284.03543	1.3
296.10410	1.5
297.11285	2.7
311.12927	1.1
327.12366	1.5
342.11005	6.0
357.13403	82.4
358.13712	7.5
387.10812	4.2
417.15805	14.1
417.24875	30.1
417.28995	0.7
417.30591	1.1
418.25125	1.8
482.07303	1.3
579.30219	100.0
580.30475	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2077
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
51.95664	0.5
53.39188	0.5
59.01367	2.2
61.98816	0.9
71.01366	2.6
83.01342	0.6
85.02922	1.6
87.00874	0.8
95.01434	0.6
98.20643	1.6
101.02441	1.8
109.03003	2.8
113.02451	0.8
121.02939	1.1
123.00864	2.4
133.02937	0.8
135.04507	1.5
137.02440	10.2
138.03212	0.8
139.03981	1.0
149.02411	1.0
151.00366	17.8
151.04024	1.3
152.01086	2.2
152.04742	2.5
161.02388	0.8
161.04597	0.8
163.03896	0.9
164.04689	0.9
165.01956	0.9
166.02705	62.6
167.03233	3.7
175.03958	1.6
175.07281	0.6
177.01901	3.1
179.03473	1.2
181.05055	70.2
182.05341	1.3
184.03719	1.3
190.06264	1.1
191.05576	3.7
192.04276	0.9
205.05089	1.4
205.08636	1.8
207.06584	1.1
219.06531	1.0
320.75589	0.6
359.11227	1.4
362.26764	0.6
387.10776	14.0
387.15375	0.8
388.11261	1.4
402.13141	7.1
417.15521	100.0
418.15854	9.5
447.09424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
53.78242	0.5
59.01368	1.5
69.03506	0.7
71.01390	2.4
74.02271	0.5
76.54388	0.5
76.65532	0.6
85.02953	1.6
89.02431	0.7
93.03459	1.7
95.01402	0.5
96.96024	0.7
97.02912	0.8
99.32541	0.5
101.02465	0.5
109.02955	2.3
111.00831	0.6
113.02441	0.7
121.02995	0.6
123.00884	1.6
123.04506	0.7
125.02434	1.4
135.04526	1.2
137.02448	9.4
138.03247	0.6
139.04080	0.7
144.38924	0.5
149.02415	1.3
150.03198	1.1
151.00365	16.2
151.03979	1.7
152.01161	0.9
152.04826	2.2
159.04507	0.6
161.02469	0.5
161.04562	0.6
163.04063	0.6
165.01938	1.7
166.02708	54.3
167.03387	3.0
169.01511	0.7
173.04556	2.0
175.03998	1.0
177.01898	3.0
178.02713	0.6
179.03506	1.2
181.05058	70.1
182.05458	2.7
184.03725	1.1
190.06363	0.8
191.03743	1.1
191.05588	12.3
192.04274	1.6
192.05878	0.8
205.05101	0.7
205.08640	0.7
207.06651	1.4
209.08029	0.6
227.95433	0.6
276.86548	0.5
287.09485	0.6
301.07275	0.6
313.84607	0.5
359.11279	1.9
387.10849	15.6
388.11124	0.7
402.13199	7.6
403.14029	0.6
417.15515	100.0
418.15875	9.0
519.24884	0.8
538.72766	0.6
578.66052	0.6
579.17059	0.9
589.21497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09811	0.5
53.39823	0.5
55.62806	0.4
59.01377	1.0
59.79696	0.5
61.15606	0.4
63.50889	0.4
63.96225	1.0
71.01380	6.1
73.02934	1.5
78.95901	1.1
78.98583	4.8
79.95728	8.2
80.96513	56.1
81.03448	0.7
85.02943	2.5
87.00874	2.4
94.98081	13.2
96.96008	2.0
97.02930	1.6
101.02451	2.3
106.98075	1.9
117.03463	1.6
119.04989	1.1
122.97572	5.2
125.02466	2.8
127.03991	1.3
131.44980	0.4
134.97565	4.1
136.99150	1.0
144.52441	0.5
145.02950	6.0
148.99110	5.8
152.98624	5.9
163.03886	0.5
164.98618	9.0
167.00258	0.5
182.99617	1.8
191.05673	0.7
206.99690	2.3
225.00714	16.0
229.58311	0.5
243.01720	1.4
273.06262	0.6
279.23300	2.6
280.23627	0.5
281.24850	0.8
299.04361	3.0
339.08035	0.5
579.28412	100.0
580.28650	8.6
581.89325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28493	0.8
61.98830	100.0
71.53069	1.1
83.50888	0.8
277.21814	4.9
278.21985	5.5
294.55463	0.8
558.93091	1.2
578.42365	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	578.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38693	1.2
54.27559	1.3
61.98830	100.0
64.44978	1.4
69.86170	4.6
69.86594	2.5
91.01031	1.2
163.12845	1.5
199.44211	1.2
234.45081	1.5
248.66142	1.1
249.62027	1.6
293.91476	1.7
310.84485	1.5
393.14084	1.4
459.31500	1.3
591.00769	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.5
59.37978	0.4
68.32727	0.3
69.24948	1.1
69.25375	1.9
71.01371	0.5
78.95903	4.6
78.98569	0.5
79.95748	1.0
80.96515	8.0
82.96120	0.5
94.98093	1.4
106.09235	0.3
119.70168	0.3
122.97555	0.5
129.97940	0.4
134.97569	0.6
152.98524	0.9
152.99629	0.9
164.98636	1.5
168.04303	1.4
224.06964	0.7
225.00711	1.2
226.00975	0.5
242.07901	2.3
279.23276	100.0
280.23636	6.0
334.71140	0.4
504.30948	27.6
505.31320	1.7
578.27167	12.5
579.26831	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24599	0.5
58.76123	0.4
59.01377	17.9
60.72025	0.4
61.98823	1.2
67.04726	0.4
69.24178	4.1
71.01382	1.3
78.95901	19.1
78.98586	0.7
79.95733	1.1
80.96515	6.6
85.02951	0.7
94.98078	1.6
96.96999	0.4
134.97552	0.5
148.99123	0.6
152.98505	0.5
152.99608	3.0
164.98665	1.2
168.04341	3.5
176.42366	0.4
189.18954	0.5
191.05609	0.9
224.06918	8.5
225.00713	0.9
225.86288	0.4
242.08003	2.5
279.23267	100.0
280.23581	5.7
286.51950	0.4
330.35968	0.5
367.67413	0.5
504.30945	63.6
505.31186	6.2
578.27136	10.3
578.36151	0.6
579.27118	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	578.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98829	100.0
71.01389	0.6
71.52808	0.5
72.22641	0.3
73.02950	0.4
78.95920	0.3
79.95742	0.3
85.02940	0.7
93.03466	1.0
95.87923	0.3
103.27838	0.2
147.04561	0.2
179.03401	0.2
191.05585	2.2
192.05949	0.5
284.03522	0.2
300.02838	0.7
301.03156	0.4
325.27747	0.3
489.32245	0.3
514.22021	0.3
517.32098	0.3
518.32245	3.4
519.33191	0.7
524.78540	0.2
551.64709	0.3
578.14246	0.5
578.22601	0.4
591.96564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54256	0.5
61.82831	0.4
61.98827	100.0
67.11451	0.5
71.01408	0.9
78.95916	0.9
78.98597	0.7
79.95751	1.5
80.96510	9.9
94.98089	2.9
98.19833	0.7
102.57190	0.5
109.37515	0.6
115.77708	0.4
122.97613	0.7
124.70702	0.4
125.02485	0.6
125.15250	0.6
134.97601	0.9
145.02977	1.8
148.99171	0.6
152.98598	0.8
164.98648	1.3
191.05685	1.2
225.00668	2.4
229.44958	0.7
279.23187	2.4
280.23874	0.8
350.33502	0.4
388.48041	0.5
496.68857	0.7
579.28461	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	578.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98829	100.0
62.74315	0.3
64.39581	0.3
69.24689	2.7
71.01394	0.7
75.00879	1.7
78.95932	0.7
80.96517	0.5
85.02974	0.5
93.03476	1.3
116.73702	0.3
173.04549	0.6
191.05574	2.3
192.05933	0.6
207.31084	0.3
240.95102	0.3
435.20886	0.4
456.42242	0.4
518.29120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
61.98829	100.0
64.40153	0.3
67.01886	0.3
71.53445	0.4
75.00864	0.5
78.95885	0.4
79.95728	0.3
80.96502	0.5
85.02954	0.3
87.00871	0.5
93.03471	1.7
101.02484	0.3
125.02448	0.5
135.46600	0.3
155.34000	0.3
155.39450	0.3
169.69168	0.3
173.04590	0.8
189.78496	0.3
191.05603	2.5
192.05992	0.5
231.51245	0.3
231.94078	0.3
331.74783	0.3
406.90909	0.3
417.12543	0.3
474.39996	0.3
578.24207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67653	0.4
59.01376	5.7
61.98829	100.0
67.87895	0.5
69.03459	0.9
69.25148	4.5
71.01388	2.7
71.37524	0.5
72.16572	0.5
75.12476	0.4
75.73365	0.4
85.02925	2.7
87.00919	0.7
89.02444	3.0
93.03454	2.3
95.01354	0.5
95.05029	1.9
96.96012	0.9
101.02454	2.0
105.80318	0.5
113.02457	1.1
119.03495	1.2
121.06602	2.4
127.04049	0.5
135.04514	6.5
142.06601	1.2
142.64507	0.5
156.08176	0.7
157.45149	0.5
160.17175	0.5
161.02472	1.6
169.07700	27.2
170.08022	0.9
173.04591	0.7
179.03499	4.9
183.09262	1.1
191.05592	17.7
192.05957	1.2
239.11925	0.7
248.90646	0.5
265.13547	1.2
284.03281	1.2
291.15009	4.9
309.15979	0.6
328.65219	0.6
335.14111	3.5
353.08685	9.7
354.09109	1.1
426.16199	0.5
515.20300	14.5
516.20715	1.8
579.13391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82605	0.2
57.02220	0.2
59.01376	2.7
60.14730	0.3
60.99311	0.3
61.98827	100.0
64.86304	0.2
69.03478	0.3
69.68857	0.9
69.69273	0.5
71.01376	0.4
72.41691	0.2
73.02892	0.2
78.95917	0.6
80.96522	0.3
82.12918	0.2
85.02954	0.4
86.96096	0.3
93.03462	1.1
96.96005	0.3
147.22194	0.2
161.02498	0.3
161.83940	0.2
173.04565	0.4
179.03444	0.3
191.05597	3.6
192.05841	0.5
203.98431	0.2
211.13524	0.3
227.35432	0.2
253.75850	0.2
517.31982	0.8
518.32001	1.6
578.23267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.1
61.52643	0.7
61.98815	1.1
71.01379	2.1
73.02962	0.7
73.48997	0.8
75.62754	0.7
87.00874	1.4
89.02444	2.5
101.02425	2.1
105.51034	0.7
113.02430	1.8
144.27266	0.7
229.50633	1.0
235.08290	2.2
253.09293	12.8
281.24844	100.0
282.25156	7.1
420.39703	0.9
493.24350	0.9
567.54407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15730	1.7
61.98827	9.0
64.54310	1.7
69.42049	13.8
71.01383	1.7
85.02953	4.4
87.00921	2.4
93.03458	3.7
134.03763	4.0
135.04526	54.0
135.29184	1.7
155.03549	2.0
161.02475	5.3
173.04515	5.2
174.10365	1.7
179.03500	45.3
189.51778	2.1
191.05603	99.2
192.06039	3.2
201.36005	1.8
228.73917	1.8
242.10046	1.8
283.67203	2.0
353.08743	100.0
354.09119	7.7
359.84097	1.7
389.98264	1.6
428.19623	1.8
515.12244	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57967	0.6
51.63257	0.5
54.71935	0.5
59.01383	4.0
61.80800	0.5
61.98828	21.2
63.96232	1.0
65.01292	0.5
69.03474	0.7
71.00995	1.0
71.01373	8.6
71.16696	1.2
73.02940	1.8
78.95908	3.6
78.98590	7.8
79.95728	12.1
80.96514	72.2
81.03423	0.7
83.01370	0.7
85.02953	2.9
87.00894	2.8
94.98084	17.1
96.95988	0.7
97.02939	1.8
98.20692	0.7
99.00915	0.6
101.02431	2.6
106.93433	0.6
106.98090	2.3
122.97576	3.1
125.02423	3.2
127.04084	0.5
134.97592	5.3
136.99107	0.8
146.97415	0.6
148.99132	5.4
152.98619	5.9
164.98616	11.0
168.04280	0.8
191.05571	2.6
206.99626	2.1
225.00752	13.3
225.04395	0.6
226.01106	0.6
277.21661	2.1
279.23300	11.7
280.48608	0.6
299.04269	2.7
430.33636	0.7
504.30844	7.1
577.26849	100.0
578.27246	8.0
592.68054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2864
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03448	0.9
58.00589	1.0
59.01378	36.6
61.98829	27.0
69.03458	0.6
71.01379	24.1
71.53932	0.7
72.99290	1.1
73.02945	10.8
75.12228	0.4
77.08514	0.4
77.62908	0.4
78.95905	0.9
80.91676	0.6
83.01388	1.3
85.02941	4.2
87.00874	2.0
89.02442	28.1
93.03449	1.1
96.96017	1.3
96.96931	0.6
97.02961	0.5
99.00877	20.2
99.40633	0.5
101.02442	13.7
109.02968	0.8
113.02440	4.3
114.09889	0.5
119.03487	1.7
119.04968	0.8
121.02909	0.4
122.03802	0.5
125.02457	2.8
129.01970	0.7
131.03516	3.8
133.02943	0.9
135.04510	1.3
149.04556	7.8
161.02457	3.3
161.04591	0.9
163.03963	0.7
173.04564	1.0
174.03201	0.5
177.01979	0.7
179.03529	0.7
191.03789	1.1
191.05603	12.6
192.05910	0.8
193.01511	0.6
197.02777	0.8
214.02676	0.5
242.02229	0.7
245.00977	0.6
251.07834	0.7
270.01617	0.7
313.06870	0.5
445.24466	0.6
517.26337	1.3
559.27533	5.2
577.28589	100.0
578.29004	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01360	0.9
61.98824	2.9
63.96216	1.2
66.82378	0.6
69.03465	0.8
70.84582	1.5
71.01375	7.5
71.19769	0.5
73.02934	1.8
78.98584	7.4
79.95737	11.1
80.96516	72.9
81.03442	1.1
85.02952	2.7
87.00860	2.5
94.98081	16.1
96.95981	1.3
97.02940	1.2
101.02423	2.7
106.98096	3.6
122.97572	6.1
125.02424	2.8
127.04000	0.9
134.97600	4.9
136.99147	1.7
148.99153	5.2
152.98631	6.6
164.98619	10.4
182.99606	2.0
206.99623	2.7
225.00734	16.1
243.01836	1.4
277.21594	1.6
279.23242	4.0
299.04401	2.4
459.05588	0.6
504.30661	1.2
577.26831	100.0
578.27148	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17121	0.4
59.01371	1.2
61.98816	0.7
63.96226	1.3
71.01380	7.5
71.10067	1.3
73.02951	1.7
78.98595	7.5
79.95729	10.1
80.96517	69.9
81.03472	0.9
83.01393	0.5
85.02941	2.6
87.00880	3.1
94.98085	16.7
96.96017	1.2
97.02951	2.0
101.02447	2.6
106.98061	3.1
122.97599	4.9
125.02426	2.1
127.04023	1.0
134.97583	4.7
136.93866	0.5
136.99126	1.3
148.99124	5.8
149.66432	0.6
152.98628	6.8
164.98627	11.3
182.99701	2.2
191.05591	1.4
206.99689	3.4
225.00754	14.9
243.01721	1.4
277.21707	2.0
299.04425	2.7
577.26831	100.0
578.27094	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	577.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04882	0.2
52.84265	0.2
57.03456	0.4
59.01381	3.8
61.98823	1.6
69.34127	1.8
71.01379	2.7
73.02945	0.4
78.95897	0.3
83.01378	0.3
85.02950	1.1
87.00893	0.4
89.02444	1.0
93.03462	0.9
95.01357	0.3
95.05046	0.3
97.02926	0.3
99.00883	0.3
101.02441	1.4
105.03468	0.8
107.05040	0.3
109.02956	0.3
110.29605	0.2
113.02458	0.6
115.01870	0.2
117.03454	1.4
119.03504	0.4
119.05054	0.4
129.02010	0.2
132.02165	2.3
133.02954	32.6
134.03683	1.8
135.04518	11.3
135.06709	0.2
137.02414	1.5
139.04007	1.6
141.61838	0.2
149.02322	0.3
149.06088	0.3
160.01689	0.3
161.02435	100.0
162.02800	2.7
163.03943	0.7
165.01852	1.0
169.01442	0.2
173.04515	0.3
177.01978	0.3
177.05504	0.5
178.02722	0.5
178.99919	0.3
179.03482	6.4
180.46469	0.2
181.05092	0.3
183.03012	0.3
183.22975	0.2
191.05602	3.3
191.07173	0.4
199.26094	0.2
221.04512	0.7
231.65848	0.2
263.05634	0.2
507.22733	0.5
577.26495	75.2
578.26831	7.5
579.59369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01377	8.9
61.98826	29.8
69.03461	2.6
69.41237	6.1
70.63595	0.8
71.01379	5.4
73.02946	1.5
75.65877	0.7
78.95892	4.5
81.03456	1.1
82.95415	2.3
83.01401	1.4
85.02967	3.6
87.00863	2.1
89.02434	2.5
93.03445	5.3
95.01373	2.2
96.96011	1.9
96.96941	5.2
97.02948	2.7
98.19883	1.5
99.00909	1.5
101.02451	2.8
107.01381	1.1
109.02944	2.9
110.99032	0.7
111.00906	0.8
111.81322	0.8
113.02464	1.5
119.05008	1.4
120.99725	1.0
121.02964	1.0
123.00870	6.9
124.01653	15.7
125.02445	43.7
133.02957	4.2
134.03777	3.7
135.04485	4.3
136.01567	1.2
137.02437	7.5
139.04012	2.0
149.04535	0.8
149.99576	24.3
151.00336	2.3
153.01924	1.3
153.09138	0.8
161.02431	6.6
161.04506	1.0
166.99905	1.0
167.03528	1.3
168.00639	46.9
169.01436	4.0
173.04517	2.8
174.06927	0.8
178.99847	1.0
179.03499	3.3
182.70451	0.9
187.04048	0.9
191.05597	22.4
192.06064	0.9
195.02985	0.8
219.14023	1.2
242.02176	0.9
255.65532	0.8
263.94193	0.9
313.05704	1.7
314.00821	1.0
331.06845	1.9
577.19312	100.0
577.28119	9.4
578.19635	9.0
578.28363	1.3
583.78717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79246	0.4
57.40681	0.4
61.98829	100.0
70.12260	1.5
71.01385	0.3
80.96504	2.2
87.39616	0.4
94.47804	0.4
94.98057	0.6
96.47839	0.3
100.93394	0.3
125.62135	0.6
135.17183	0.3
135.43608	0.3
135.77536	0.3
139.96416	0.3
164.98595	0.6
176.15584	0.3
218.82536	0.4
225.00809	0.8
234.46698	0.3
239.89793	0.3
263.36896	0.3
272.44913	0.4
278.22217	0.4
377.96143	0.4
414.35010	0.3
428.27921	0.4
445.45453	0.4
577.26807	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96232	0.4
61.98828	100.0
71.01378	0.4
78.98596	0.9
79.95746	1.1
80.92745	0.3
80.96512	5.1
83.00681	0.3
94.04762	0.3
94.98097	1.2
102.70754	0.4
120.39617	0.3
120.40395	0.3
148.99176	0.5
152.98613	0.5
164.98672	0.9
191.05606	0.5
225.00832	1.0
377.25946	0.4
505.26166	0.4
577.26917	8.4
577.36096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09442	0.3
55.20330	0.3
59.01377	17.0
62.34935	0.3
63.55408	0.2
67.16415	0.3
78.32404	0.3
78.95901	5.8
137.02438	1.3
152.99579	1.5
168.04282	2.1
188.47603	0.3
201.12274	0.3
219.02080	0.3
224.06956	1.2
230.81305	0.3
233.22833	0.5
242.08032	3.0
259.20663	0.3
277.21698	100.0
278.22073	6.5
459.68802	0.3
502.29373	27.9
503.29761	2.3
596.59290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.4
61.98828	0.8
71.01365	0.7
72.19350	0.4
78.95901	26.5
93.03448	0.5
96.96970	0.7
98.19877	1.0
137.02425	0.7
137.88658	0.4
152.99614	3.8
168.04311	4.2
224.06908	10.1
233.22632	0.6
242.08020	2.9
259.20624	0.5
275.20325	0.5
277.21701	100.0
278.22021	5.5
316.99744	0.4
345.98526	0.4
502.29379	77.5
503.29678	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	575.3591
Annotation	Agosterol A
Peak:m/z	Relative Intensity
59.01377	100.0
60.17127	1.2
60.37287	1.1
61.98824	4.4
69.80000	1.1
71.52216	1.2
71.52566	1.6
96.96013	1.4
126.90388	1.2
140.86758	1.2
149.09715	2.1
173.37056	1.2
191.05582	1.6
210.36748	1.3
214.49692	1.1
290.98724	1.0
305.06345	1.1
359.36075	1.2
449.30734	1.8
495.31119	2.7
503.36124	1.2
515.33734	44.6
516.34082	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	575.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95925	44.1
94.73299	31.2
98.20621	100.0
152.99681	40.5
211.13493	30.5
252.79968	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72232	0.2
59.01371	0.6
61.98827	100.0
67.30827	0.2
69.24773	0.2
69.25079	1.9
71.01401	0.2
78.95904	0.2
89.02393	0.2
98.20655	0.4
191.05594	1.3
234.43236	0.2
250.22949	0.2
273.83667	0.2
354.37695	0.2
403.44940	0.2
491.30502	0.2
492.90280	0.2
513.21942	0.3
516.28882	0.3
593.60858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.4
59.01380	3.9
61.98830	100.0
71.01376	0.5
72.04662	0.2
78.95897	1.7
83.05053	0.3
85.02968	0.6
87.00912	0.3
93.03484	0.9
96.36607	0.2
98.20686	0.5
135.04573	0.4
147.04558	0.3
152.99615	0.8
155.03571	0.6
173.04543	0.3
180.95209	0.3
191.05602	3.4
209.11929	0.7
210.12212	0.4
211.13449	0.4
220.61862	0.3
516.28625	0.6
517.34100	0.4
576.27118	0.4
600.83466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.6
65.82063	1.5
71.01386	5.2
71.52549	3.2
78.95912	6.7
80.96541	1.6
85.02975	3.8
87.00903	2.1
89.02457	3.2
93.03438	2.4
101.02457	3.4
108.02160	3.3
109.02954	1.7
111.04462	1.4
113.02439	1.8
141.03683	1.3
152.01126	2.9
159.15923	1.4
161.04515	1.8
191.05609	19.4
192.05869	3.9
208.13159	1.7
209.11787	3.4
212.36497	1.5
235.08069	2.1
241.01181	1.6
253.09277	16.5
261.22177	1.4
277.21713	1.6
279.23273	100.0
280.23627	7.1
287.13107	1.7
291.19666	5.5
328.10492	2.1
549.00146	1.5
575.28320	2.4
580.87341	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
59.01380	14.1
59.76920	0.4
61.98830	0.5
66.68707	0.4
71.01382	3.0
73.02937	0.8
78.95901	0.8
85.02948	1.0
87.00861	0.5
89.02427	2.2
93.03464	0.5
101.02432	3.2
113.02425	1.3
119.03500	1.1
129.64699	0.5
142.79463	0.5
143.03511	0.6
161.04520	1.3
191.05580	2.7
235.08128	0.9
253.09265	13.3
279.23267	100.0
280.23590	4.8
309.20801	0.4
345.55927	0.4
518.01178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
59.36332	0.2
61.98826	100.0
70.62724	0.2
70.63061	0.4
78.95899	0.4
82.17334	0.1
89.02454	0.2
95.92537	0.1
121.69491	0.2
152.99564	0.3
168.48151	0.2
196.06007	0.2
222.54881	0.2
252.33025	0.2
267.92996	0.2
268.67575	0.2
317.60657	0.2
370.31277	0.2
386.57166	0.2
420.88516	0.2
510.51648	0.2
515.29120	0.2
555.58307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44607	0.2
55.93908	0.2
71.52847	0.2
79.95292	0.2
79.95736	3.8
85.02929	0.2
89.02513	0.2
96.96009	100.0
97.93195	0.2
107.01360	0.3
151.00349	1.0
173.04572	0.2
178.99867	0.5
191.05614	0.6
210.29111	0.2
301.03470	4.3
373.82986	0.2
431.38956	0.2
477.06723	2.5
523.52704	0.2
562.64209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80259	1.5
55.01870	1.9
57.03427	2.1
59.01075	1.6
59.01379	29.8
61.98829	54.5
70.60842	3.4
70.61193	2.7
71.01382	34.9
72.99324	2.3
73.02938	11.2
73.23961	1.5
78.95897	19.9
83.01373	4.7
85.02944	15.0
87.00880	2.2
89.02452	11.4
95.01367	4.0
97.02954	1.7
99.00873	5.8
101.02435	21.6
113.02441	17.2
122.78118	1.5
125.02449	4.6
131.03458	4.9
135.04486	2.4
149.04620	2.4
152.99545	9.5
159.02969	2.1
161.04564	12.7
164.98653	1.5
179.03517	2.4
191.05580	10.5
198.67413	1.8
208.82373	1.5
209.11780	7.9
211.13390	6.1
218.89865	1.6
223.12843	1.6
233.61140	1.6
381.12979	1.8
383.24472	13.0
515.28528	100.0
516.28906	11.2
575.26135	5.4
583.97070	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	573.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24494	0.7
59.01379	17.3
61.98814	3.2
68.42599	0.8
69.03452	1.8
71.01382	11.4
72.99329	0.9
85.02945	3.0
89.02449	17.8
94.02984	5.2
95.01372	1.1
101.02463	7.6
109.02944	1.3
113.02472	5.0
119.03506	6.6
122.02484	14.0
125.02470	1.7
131.03444	1.3
133.02924	2.8
135.00890	2.3
135.04510	4.8
138.02849	0.8
143.03424	1.2
153.01952	3.1
158.06055	2.1
161.02454	7.3
161.04546	1.4
165.05530	1.4
173.04410	1.1
179.03510	2.8
179.05598	3.8
184.06401	1.7
185.07196	61.4
186.07545	2.6
191.05556	2.7
199.08754	7.4
214.59241	0.9
237.10344	2.6
251.08214	3.9
279.07840	1.4
281.09302	100.0
282.09607	5.3
333.12418	43.7
333.16495	1.7
334.12656	1.9
351.13644	5.1
393.14481	1.8
434.85342	0.9
453.56177	1.0
476.98334	0.9
513.18604	3.9
537.15735	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	573.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
61.98818	2.2
65.73334	1.0
67.01857	1.0
69.03453	2.3
71.01361	1.2
73.91534	0.9
89.02448	1.1
93.03445	5.6
95.05008	1.4
96.95963	1.8
98.20640	2.7
99.67773	0.8
108.10088	0.9
109.02982	0.9
113.02406	1.1
116.05387	0.9
121.02950	20.4
122.03744	12.7
123.04594	1.2
125.02404	0.9
133.02928	3.7
135.04486	3.3
136.01643	3.3
137.02452	1.2
147.04506	1.5
148.01581	1.0
149.02429	65.7
150.03218	97.1
151.03705	4.3
152.04245	1.0
161.02437	9.1
163.04047	1.0
164.03494	1.5
164.04787	17.4
165.05557	100.0
166.06342	46.8
167.07158	5.3
169.01396	1.0
169.49094	0.9
175.03984	4.9
176.10127	0.9
180.04315	5.9
181.07143	1.6
181.08688	28.4
191.05580	3.8
195.06609	65.6
196.06923	3.2
238.05994	1.0
241.05234	1.1
253.05070	1.6
264.04636	0.9
266.05643	1.1
267.06488	2.5
269.08057	1.8
270.08939	2.0
283.06253	1.0
285.07626	3.6
298.08438	2.2
299.09174	1.1
313.07382	1.0
313.10883	4.4
314.08459	1.4
314.11618	11.2
315.11807	1.1
328.09528	1.6
329.10229	3.2
329.13876	31.6
330.14175	2.4
343.11838	42.7
344.12140	3.2
373.13287	1.2
377.15912	2.3
391.13925	1.8
474.50842	1.1
507.19055	2.5
525.21259	38.8
526.21552	4.8
537.15961	4.4
537.29169	2.0
573.24103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26772	0.3
59.01371	0.6
61.98828	100.0
62.77024	0.3
78.95904	0.7
82.20792	0.3
83.74950	0.4
94.35974	0.3
108.25114	0.3
110.20409	0.3
122.79568	0.3
137.02434	4.1
139.01639	0.3
141.87469	0.3
142.58389	0.3
152.99583	0.4
171.10292	0.4
205.41170	0.3
221.11588	0.5
265.10495	1.9
487.34830	0.4
572.32220	1.0
573.31268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01380	8.4
59.52943	1.1
61.98830	10.6
62.06404	1.1
63.02396	11.7
65.00315	11.1
69.03443	1.7
69.39227	7.2
69.39639	2.3
71.01372	9.2
72.45374	1.1
72.99300	1.5
73.02928	1.7
78.95908	1.3
79.35535	1.0
81.03472	1.5
83.01376	10.6
85.02931	5.3
87.00867	2.9
87.40326	1.1
88.33487	1.0
88.98785	1.2
89.02434	6.3
93.03462	3.2
95.01349	1.8
96.95992	4.4
96.96944	2.0
98.96703	1.1
101.02431	3.3
107.00707	2.2
107.01376	21.1
109.02908	2.7
111.04466	1.3
113.02437	5.2
119.03510	2.4
122.02478	2.4
123.04479	1.9
125.02433	12.7
125.50569	1.1
133.02936	6.6
135.04482	3.5
137.02423	2.7
147.04494	1.3
149.02451	1.6
149.06015	1.5
151.00365	73.6
152.01094	4.1
153.01859	5.3
161.02440	20.5
161.04530	1.3
169.01425	11.6
173.04597	1.5
173.06062	3.5
174.06738	1.3
175.02525	1.6
177.01894	2.8
178.99850	100.0
179.05643	1.4
179.07045	1.3
180.00168	2.9
187.03905	1.7
187.07545	1.3
187.11249	1.2
189.05733	1.3
191.03955	1.6
191.05608	12.8
193.03502	1.6
195.06676	1.5
199.07701	1.7
200.04706	3.3
205.12225	1.8
205.24693	1.1
215.03398	1.3
215.07094	10.5
217.08688	6.8
225.05478	2.1
227.07094	2.6
243.06590	1.6
253.05009	4.9
255.02892	4.8
271.02444	11.1
271.05991	7.2
287.05646	1.5
300.02756	17.6
341.10681	1.2
367.15488	3.6
379.08005	5.3
397.09241	84.4
398.09409	6.2
411.16623	6.6
447.09528	1.6
573.12415	21.2
573.21411	2.4
574.12018	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99949	0.3
52.54172	0.4
53.88519	0.3
61.98836	3.8
69.20947	3.6
78.95908	2.6
93.03426	0.6
96.96965	3.3
98.19932	0.7
99.92586	25.7
100.92654	0.9
100.93359	6.3
115.92075	73.6
116.92068	2.9
116.92860	3.7
117.92524	0.5
132.46474	0.4
132.92351	1.1
133.18646	0.3
145.02969	0.5
191.05605	0.8
426.43945	0.5
471.34631	1.4
526.30109	0.4
553.26031	1.9
556.24469	0.6
571.27295	100.0
572.27557	17.2
577.65497	0.4
585.25165	10.3
586.25604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.34293	0.6
71.15318	1.1
71.15647	0.8
78.95900	62.9
96.96956	14.6
129.67354	0.7
137.91618	0.7
150.98027	0.9
152.99582	54.0
171.00569	0.9
212.56358	0.8
223.00073	1.8
241.01176	35.2
242.01614	0.9
255.23274	70.5
256.23648	3.5
259.02289	1.0
294.88605	0.6
309.20618	1.0
315.04865	8.9
369.77029	0.6
371.59616	0.7
377.32574	0.8
391.22601	5.6
406.91220	0.8
427.55148	0.7
571.28857	100.0
572.29114	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	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93496	0.2
61.98827	100.0
69.67530	0.4
69.67937	0.8
75.25428	0.2
78.95911	0.6
143.58224	0.2
152.99609	0.5
154.35529	0.2
180.83774	0.2
211.13435	0.4
377.08533	0.2
572.32501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2725
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
52.04916	0.3
61.98827	2.9
78.95885	0.9
96.08025	0.3
96.96960	1.2
99.92583	11.0
100.92657	0.5
100.93363	6.1
115.92075	100.0
116.92078	3.6
116.92864	4.8
117.92490	0.3
123.82391	0.3
132.92325	1.1
163.76453	0.3
184.96806	0.4
269.12830	0.3
279.26700	0.3
405.39566	0.3
471.34579	1.0
509.27570	0.4
553.25952	0.5
571.27289	62.4
572.27576	9.2
585.25128	6.7
586.25366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	3.2
64.29952	0.5
78.95905	1.5
96.96965	1.2
99.92579	13.2
100.92651	0.5
100.93351	5.3
103.48164	0.4
115.92072	100.0
116.92076	4.0
116.92868	5.7
132.92358	1.1
152.48654	0.4
152.99562	0.8
158.04201	0.3
255.23233	0.6
262.41418	0.4
361.66470	0.4
469.33221	0.4
471.34738	0.9
553.27216	0.6
567.24200	0.5
571.27283	65.8
572.27637	9.7
585.25256	8.0
586.25562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02911	1.9
57.51159	1.9
58.00588	2.8
59.01380	100.0
61.98590	1.6
61.98830	19.5
69.03448	8.5
69.54063	15.3
71.01381	33.9
83.01434	2.4
85.02949	6.2
87.00887	2.7
89.01934	3.7
89.02449	50.3
93.03450	7.5
96.95977	3.8
97.02932	3.0
98.20612	4.7
101.02448	14.3
109.02963	2.4
113.02438	13.1
117.83574	2.1
119.03517	17.1
119.05017	11.0
125.02414	2.9
131.03444	3.2
133.02861	2.5
135.04498	5.7
143.03474	2.7
150.03166	2.9
161.02385	3.0
161.04533	2.8
163.04030	13.7
169.01382	5.1
173.04532	2.4
179.03490	4.4
179.05585	7.2
191.05629	15.8
207.09248	6.9
221.07217	2.9
223.08722	7.2
230.09630	2.7
235.08728	4.7
251.08200	7.3
257.10800	2.6
259.12231	3.9
274.08591	8.7
277.13428	3.1
279.07730	84.1
280.08032	5.4
280.34277	2.5
287.11804	4.6
305.12833	3.0
321.12433	2.8
331.10828	14.0
349.11835	2.9
511.16937	8.7
535.21851	4.7
567.68457	2.4
571.21844	2.9
571.31146	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	570.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98829	100.0
69.07589	0.2
69.58093	0.6
69.58525	0.5
71.01383	0.2
85.02977	0.2
89.02407	0.2
93.03481	0.3
96.96030	0.2
109.04274	0.2
122.03757	0.4
135.04510	0.4
136.01677	0.4
136.33566	0.1
137.02504	0.2
147.04562	0.2
149.02449	0.3
150.03221	1.5
151.04047	0.8
161.02467	0.3
164.04813	0.3
165.05583	1.8
175.07733	0.2
179.07172	0.5
179.62030	0.2
191.05591	1.2
195.06631	1.0
229.98433	0.2
268.11331	0.2
297.11502	0.3
493.18665	0.2
510.28900	0.2
523.19922	0.2
586.71344	0.2
593.53613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2736
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
51.06837	1.9
53.00188	2.4
59.01369	13.3
61.98834	26.8
71.01384	10.1
71.53712	3.5
72.99321	4.3
75.00838	2.0
78.95900	6.1
81.03490	3.2
85.02954	7.2
88.98813	4.6
89.02454	6.9
93.03458	9.3
95.01374	2.8
96.96017	8.9
101.02407	10.7
111.04546	3.2
113.02464	3.9
120.99648	2.2
121.02937	3.5
125.02479	5.9
133.02943	3.9
134.03772	3.2
135.04533	16.9
137.02435	5.0
150.03136	2.6
151.04071	2.2
161.02432	8.5
161.04594	5.0
165.05589	2.9
169.01448	4.3
171.10284	2.5
179.03510	8.5
191.05577	39.6
239.71632	2.7
251.47404	2.4
329.13971	6.4
533.29694	23.1
569.27411	100.0
570.27454	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	569.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
63.19342	1.2
64.29118	1.2
66.91231	1.2
70.18642	2.8
70.19062	4.0
73.49677	1.6
86.70333	1.4
87.12127	1.5
103.21243	1.2
105.94067	1.2
111.08180	2.0
125.09702	1.4
125.97656	1.2
151.11215	2.4
153.12814	3.3
164.50627	1.4
165.12752	1.3
169.12337	1.5
181.12270	3.8
194.76186	1.3
197.11812	1.8
207.13861	2.5
228.13678	1.5
247.20657	6.7
263.20117	1.6
273.18463	2.2
277.21707	40.3
278.22107	2.5
291.19656	53.9
292.19989	3.6
309.20691	100.0
310.21048	7.1
399.19580	1.5
507.42380	1.6
551.40955	10.4
552.41162	1.8
569.42004	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	569.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32717	2.2
68.51117	2.6
69.16887	7.3
69.17313	14.7
98.74501	2.3
111.08154	2.1
165.12811	6.6
197.11803	3.5
219.49182	2.3
247.20613	9.4
273.18619	4.7
277.21719	74.4
278.22113	4.2
291.19644	100.0
292.19846	5.5
309.17194	4.0
309.20712	68.8
310.21048	4.1
443.35355	6.4
515.20856	2.2
551.41162	22.4
552.41272	4.3
569.42706	6.1
583.12244	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37357	2.7
59.01378	3.4
61.98826	100.0
67.01885	3.4
70.58972	7.1
78.95911	23.4
80.96505	9.7
85.02946	8.0
87.00867	6.2
93.03459	18.8
95.80951	2.8
96.96970	4.1
99.14938	2.6
137.02501	3.3
152.99551	7.0
164.79974	3.3
164.98586	3.9
167.72581	2.7
172.86107	3.1
173.00052	2.7
173.04546	10.3
173.65276	3.7
174.48129	3.0
187.87416	2.7
191.05594	42.1
192.05956	9.2
193.29839	3.4
241.01083	5.7
255.23201	9.9
309.20657	3.4
310.49252	3.3
483.27179	4.5
559.24512	4.0
567.75232	4.1
568.25250	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	568.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37357	2.7
59.01378	3.4
61.98826	100.0
67.01885	3.4
70.58972	7.1
78.95911	23.4
80.96505	9.7
85.02946	8.0
87.00867	6.2
93.03459	18.8
95.80951	2.8
96.96970	4.1
99.14938	2.6
137.02501	3.3
152.99551	7.0
164.79974	3.3
164.98586	3.9
167.72581	2.7
172.86107	3.1
173.00052	2.7
173.04546	10.3
173.65276	3.7
174.48129	3.0
187.87416	2.7
191.05594	42.1
192.05956	9.2
193.29839	3.4
241.01083	5.7
255.23201	9.9
309.20657	3.4
310.49252	3.3
483.27179	4.5
559.24512	4.0
567.75232	4.1
568.25250	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	569.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.6
58.45863	1.5
59.01380	14.7
60.99296	3.0
61.98829	15.7
67.01881	2.5
69.03455	58.5
71.01389	20.9
71.04975	1.6
71.33601	3.4
72.99295	1.8
73.02950	16.9
78.95893	1.9
79.01903	2.0
83.05018	2.4
85.02948	6.6
87.00880	2.2
89.02438	6.5
93.03467	17.6
95.01430	1.7
95.04984	2.6
96.96005	3.9
97.02950	100.0
97.06536	2.1
101.02441	6.2
105.03454	4.0
108.02158	4.7
109.02946	3.4
113.02428	3.5
119.03502	2.9
121.02972	4.7
121.06606	3.0
123.04527	14.9
125.02419	2.4
125.06061	2.1
129.17238	1.6
135.04567	1.7
139.07564	1.6
141.01920	5.1
149.06075	33.6
150.06836	5.1
152.01180	3.6
153.01906	2.1
158.13814	1.4
165.05623	1.8
167.07172	11.0
167.14359	5.9
173.04384	1.9
173.13310	1.9
179.10724	4.1
179.14450	4.8
183.13866	8.0
191.05649	16.4
191.14357	6.6
193.05061	45.9
194.05354	2.6
195.13875	18.5
197.15436	8.2
207.13870	4.4
209.15491	11.5
213.14949	90.2
214.15271	3.4
227.16536	27.0
237.14946	17.9
249.14975	3.7
255.16017	26.1
267.16006	5.2
315.17929	2.0
407.28104	5.5
426.05624	1.8
482.37140	1.9
509.40271	4.0
514.03253	1.8
555.41345	1.9
569.25873	36.5
569.33362	5.2
570.26038	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	568.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.29648	0.3
61.98829	100.0
69.23354	1.2
69.23779	1.4
71.01394	0.5
78.95935	0.3
93.03497	0.5
115.92127	0.6
120.99704	0.5
125.02502	0.3
125.05616	0.3
129.61192	0.3
137.02460	0.3
161.02504	0.3
169.01439	0.4
179.03603	0.4
191.05621	1.1
343.04904	0.4
355.50403	0.3
567.24500	0.5
568.14545	0.4
568.24573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02658	0.1
59.01371	1.3
61.98829	100.0
69.03455	0.2
69.41112	1.4
71.01387	0.6
72.99332	0.2
73.02931	0.2
76.04852	0.2
78.95908	0.3
79.95731	0.3
83.01414	0.1
85.02962	0.4
87.00868	0.2
88.98785	0.4
89.02457	0.2
93.03469	0.6
94.80033	0.2
96.96040	0.2
98.19907	0.3
101.02460	0.5
107.01472	0.2
108.02172	0.3
109.02954	0.2
113.02465	0.2
115.92077	1.1
116.92091	0.4
116.92895	0.5
117.92861	0.2
125.02467	0.5
127.11284	0.2
131.03607	0.2
133.03041	0.2
135.04536	0.6
137.02458	0.5
149.02516	0.2
150.03207	0.3
151.00403	0.4
153.75069	0.2
161.02489	0.4
163.04105	0.2
169.01416	0.4
177.01915	1.6
179.03502	0.4
181.08855	0.2
191.05574	1.8
191.06850	0.2
209.08224	0.3
253.09200	0.4
331.24884	2.3
332.25241	2.9
368.12408	0.2
458.70847	0.2
505.17462	0.5
532.29041	0.2
568.26099	0.8
569.25537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45905	3.4
57.03436	4.7
59.01361	7.2
61.98830	27.1
69.38596	12.5
69.39021	11.3
71.01385	4.5
71.05028	6.8
78.95892	5.2
81.03421	4.6
83.05034	12.0
83.08761	4.1
83.40114	3.1
95.05046	4.0
97.02954	9.3
97.06602	8.4
99.00874	22.7
107.05032	9.0
109.06556	5.7
116.94428	3.7
123.04491	3.6
123.08134	7.3
125.09707	21.2
135.08130	8.1
151.07658	3.7
153.09219	8.1
163.11320	16.2
165.12854	4.1
171.10204	4.5
176.08470	4.1
181.12381	28.1
185.11842	7.6
196.02757	3.0
197.11853	22.3
199.13359	10.8
201.11356	4.2
207.10233	42.7
209.11816	100.0
210.12140	4.1
225.11299	61.8
241.10760	7.6
243.12369	83.4
261.18536	6.7
265.14484	3.4
287.16528	7.7
305.17572	99.0
306.18030	8.3
323.18521	19.8
435.23898	7.6
531.29602	9.8
567.30951	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	567.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.3
59.01385	5.7
61.98829	20.0
69.97994	6.3
71.01358	2.4
71.01741	1.8
72.99306	2.5
75.00867	14.8
78.95893	1.8
81.03454	3.1
83.05026	4.1
88.03683	1.7
93.03463	1.9
97.06591	1.8
99.00877	2.6
109.02981	1.9
109.06625	1.9
112.05362	1.8
123.04542	3.3
123.08121	3.3
125.09711	7.9
127.07722	1.8
135.08069	2.1
137.09711	2.3
141.05615	2.6
151.11250	3.1
153.09204	6.9
153.12851	1.7
153.61678	1.6
155.10847	1.7
163.11293	5.7
169.12329	18.5
171.10263	61.7
179.10802	3.4
181.12184	4.1
185.11833	8.3
187.09811	2.5
191.05621	3.6
191.14430	7.8
194.31195	2.0
197.11823	100.0
198.12175	4.5
201.11320	3.4
207.10269	5.2
207.92380	1.9
209.11865	10.2
213.11320	2.6
215.12875	6.6
220.51083	1.9
225.11336	9.3
241.10770	19.4
243.12364	11.1
243.17671	2.1
245.19080	16.7
259.11813	48.6
260.12302	3.1
271.17166	2.1
287.16565	1.9
289.18082	69.0
290.18488	4.6
305.17563	3.3
307.19141	87.2
308.19525	6.5
325.20187	27.4
469.29678	2.1
487.30676	3.7
549.30884	4.0
567.31494	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	567.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.4
60.99291	6.2
61.98830	100.0
71.01368	8.1
73.02940	5.0
78.95854	3.4
78.98465	3.2
85.02940	4.6
87.00853	3.6
87.04498	4.0
88.98815	27.2
89.02444	7.6
93.03471	8.5
101.02440	6.3
107.01398	3.9
108.02171	5.2
109.02934	9.7
115.92080	24.6
116.92816	7.7
120.99636	4.2
121.02937	5.7
125.02424	6.1
135.04509	7.0
135.90791	3.0
136.01605	3.4
137.02383	6.6
149.02376	3.8
150.03214	12.2
151.00354	8.1
152.01140	7.3
153.01950	5.2
156.47614	3.3
161.02428	6.1
163.03882	3.8
165.05536	12.5
167.03127	3.2
171.10399	4.0
173.04614	3.8
179.03459	6.8
181.04985	6.1
191.05582	21.0
192.05782	3.8
195.06560	7.1
233.00853	3.3
255.02863	4.2
271.02243	4.7
300.02814	10.4
301.03488	20.8
319.62671	3.5
345.15573	4.3
405.18027	8.0
507.34262	6.4
531.28186	6.7
567.11432	5.4
567.25421	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16850	0.9
59.01374	1.0
61.98829	100.0
69.25549	7.5
69.38108	0.7
70.62128	0.7
71.01354	1.2
73.45096	0.7
74.13900	0.8
78.04785	0.7
78.95905	0.9
219.42654	0.8
232.90022	1.0
243.12267	1.1
356.55084	0.9
422.07031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28027	0.8
59.01374	2.0
61.98827	100.0
71.52493	1.9
78.95908	1.6
106.26425	1.1
116.92812	1.2
118.13401	0.8
124.28228	0.9
152.33308	1.0
174.03052	0.9
297.56049	1.1
306.12268	1.1
331.53491	1.0
532.76514	1.0
567.32544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.4
67.01875	1.2
68.99810	3.0
69.03453	5.6
69.43314	7.3
71.01379	4.8
73.02952	1.6
75.60204	1.0
83.08887	1.1
85.02940	11.1
87.00883	2.9
89.02455	3.7
93.03429	5.2
95.01386	1.2
96.95988	1.3
97.02946	6.0
101.02442	2.7
111.00874	2.5
111.04530	2.7
111.49200	1.1
113.02409	1.3
121.02966	1.7
127.04011	2.8
133.02960	2.9
134.03760	1.7
135.04512	1.7
139.00438	1.2
139.04002	10.0
146.03761	3.4
147.04501	1.3
149.06075	2.6
157.02774	1.0
158.03653	1.7
159.04543	9.6
161.02444	6.3
161.06047	2.4
164.04738	1.9
165.01855	1.6
167.07127	1.8
173.04498	2.6
174.03186	2.8
175.04008	8.3
179.03517	1.5
179.07063	5.2
185.05978	1.2
187.04002	24.7
191.05602	100.0
192.05936	2.8
196.05424	1.3
201.05568	8.5
203.03510	1.8
209.06081	1.1
211.04066	1.6
211.07600	6.2
222.06847	3.7
225.09274	1.0
225.11362	4.9
227.10776	3.0
229.05121	6.3
237.09216	6.6
239.07120	4.1
252.04189	1.0
253.05013	2.0
253.08585	1.9
255.06615	10.8
255.10231	7.6
265.05051	8.7
281.08176	7.1
283.06213	1.9
299.09216	21.8
300.09500	1.6
325.07239	1.9
329.12573	1.1
343.08191	22.2
377.08759	2.1
405.17523	3.5
447.19571	1.2
457.11389	9.9
507.21033	1.4
535.14545	9.3
536.15063	1.3
567.26758	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13266	0.2
51.76363	0.2
59.01379	0.4
59.22285	0.2
60.62098	0.2
61.98828	100.0
64.01591	0.2
69.03455	0.3
69.49773	1.1
69.50188	0.4
71.01357	0.2
76.00705	0.2
85.03006	0.3
105.47031	0.2
114.83094	0.2
115.92099	0.3
116.48118	0.2
125.36578	0.2
135.04521	1.3
160.01720	0.2
161.02434	0.8
175.04004	0.4
176.04321	0.2
177.05647	0.3
179.03496	1.2
191.05600	0.4
221.04652	0.6
251.05652	0.4
281.06683	0.9
311.50586	0.2
341.08740	1.0
488.85910	0.2
567.25177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86447	0.4
59.01369	3.5
60.01689	0.6
61.01810	0.6
61.29960	0.4
61.98828	100.0
71.05869	0.4
71.06356	0.4
71.52217	0.3
78.95891	0.5
96.96048	0.5
116.92854	0.9
134.18181	0.4
163.10643	0.4
191.05602	0.7
197.43068	0.5
295.13855	0.5
302.74152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37439	0.6
59.01378	2.9
61.98828	100.0
67.00791	0.6
69.79662	2.2
69.80067	1.4
71.01395	2.4
73.02962	0.5
80.86270	0.5
85.02968	0.6
86.86234	0.7
89.02448	1.4
91.22244	0.6
96.96069	0.6
101.02436	1.4
109.02893	0.9
117.13769	0.6
127.96349	0.5
130.59038	0.6
131.90024	0.6
133.02995	2.3
134.03717	0.7
135.04527	19.1
136.04880	1.4
137.02437	1.6
148.05350	0.7
149.06055	3.5
161.02432	13.5
177.05554	6.8
179.03493	19.6
180.03893	0.9
191.05629	1.8
221.04544	9.2
224.13084	0.6
235.30313	0.5
251.05551	10.6
281.06647	17.0
283.54086	0.6
323.07822	0.8
341.08734	17.1
419.03986	0.9
503.15298	3.1
505.26416	0.7
506.26721	1.1
567.24316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36114	2.0
57.03446	5.3
59.01391	3.6
61.98825	4.5
67.01883	1.6
69.03457	23.6
70.26077	6.0
71.01385	3.1
71.05016	7.3
78.95866	2.1
80.02696	2.3
81.03462	2.5
83.05018	8.7
93.03433	1.7
95.05029	3.7
97.02946	5.0
97.06587	6.9
107.05017	6.4
108.02156	1.8
109.06570	3.5
116.92855	3.0
123.04503	1.6
123.08150	10.5
125.06086	3.1
125.09710	18.8
135.04489	2.4
135.08144	5.8
143.07130	3.1
149.09738	2.5
151.07698	2.4
151.11281	16.5
153.09192	7.3
153.12834	2.4
161.09717	24.8
163.11232	6.1
165.12837	2.6
178.10042	2.6
179.10774	49.5
185.11838	8.0
191.05551	2.7
191.10738	2.5
197.11812	94.3
198.12158	3.7
201.20662	1.7
207.10231	6.5
209.11818	64.0
210.12106	2.4
223.09752	5.6
225.11229	5.4
236.10626	2.1
241.10800	100.0
242.11191	5.5
261.18582	1.7
269.15457	1.9
279.19769	1.8
285.98407	1.8
287.16391	8.0
305.17572	67.0
306.17844	3.6
315.19684	3.1
323.18634	9.1
357.46841	1.8
389.23291	3.8
395.24811	3.7
433.22052	3.2
436.22470	1.6
485.29004	4.0
529.28241	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	565.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.5
61.98828	100.0
71.01381	24.4
71.53268	1.3
72.99279	1.2
73.02953	6.6
81.00903	0.9
83.01394	3.9
85.02957	11.6
87.00871	2.2
89.02441	13.3
93.03438	2.0
93.24010	1.0
96.96025	5.9
99.00890	3.3
99.92609	5.0
101.02432	15.8
107.60688	0.9
109.02984	1.4
113.02448	7.8
116.92854	42.2
117.92892	2.2
119.03516	2.3
125.02448	3.3
127.04028	1.2
131.03502	4.6
133.02977	1.7
135.04530	2.7
149.04581	4.1
161.02458	5.6
161.04527	5.2
169.01411	2.8
173.04558	1.3
177.01897	1.2
179.03532	2.6
179.05658	1.2
180.51114	1.0
191.05612	12.7
373.22153	7.8
385.06180	1.1
453.87488	1.0
505.26501	59.3
506.26764	4.3
565.18896	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	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.5
59.01376	28.2
61.75845	1.6
61.98827	100.0
66.97181	1.3
69.03414	2.5
71.01381	21.4
71.53099	1.9
72.99262	2.0
73.02945	6.5
81.97044	1.2
82.00345	1.2
83.01372	2.5
85.02957	6.4
87.00853	2.6
87.36359	1.3
89.02436	13.9
93.03453	2.6
96.35525	1.3
96.96004	4.3
97.02911	1.8
99.00849	2.7
99.92567	4.1
101.02444	18.4
111.00901	2.3
113.02441	7.6
113.53911	1.3
116.92857	44.3
117.92855	1.4
119.03477	3.1
125.02428	4.4
128.86104	1.3
131.03493	3.6
133.02957	1.6
135.04512	2.6
139.00381	1.5
149.04573	3.7
161.02473	6.1
161.04521	4.2
169.40602	1.4
173.04533	2.0
175.04034	1.5
179.03474	1.8
179.05598	3.0
180.04251	1.7
181.59677	1.2
191.05615	11.8
195.06508	1.8
222.63385	1.3
303.35178	1.3
304.43839	1.5
323.19724	1.6
324.39938	1.4
356.55429	1.6
373.22318	8.3
403.13812	2.0
505.26535	48.7
506.26654	5.5
565.18719	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	565.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01381	5.2
61.98819	7.2
69.55840	1.5
69.56242	2.1
69.93445	0.6
71.01386	4.9
73.02936	1.9
78.95897	0.6
81.03451	0.9
82.13943	0.6
83.01395	1.1
85.02956	3.6
87.00891	0.8
89.02426	1.2
93.03437	2.1
99.00903	0.9
101.02439	4.6
109.02969	0.8
111.00903	0.9
113.02432	2.0
116.92880	1.1
123.00879	1.7
124.01616	1.5
125.02486	1.1
132.12456	0.6
135.04530	1.2
137.02406	1.4
138.03206	1.0
139.00368	1.0
139.04008	1.3
149.02435	0.8
149.04472	0.6
151.00363	15.1
151.04005	0.8
152.01131	8.4
153.01965	1.1
153.05583	1.2
161.02396	1.1
161.04530	1.3
163.03984	1.3
163.07668	1.0
164.04753	1.1
165.01978	0.7
166.02705	46.0
167.03497	10.0
173.04558	1.1
173.06023	1.0
175.03966	0.8
176.04736	1.2
178.06349	0.9
179.03534	1.4
179.07076	1.7
180.04370	0.7
181.05052	56.1
182.05423	1.6
189.05527	0.8
190.06377	7.3
191.05573	6.6
191.07150	6.7
192.05887	1.7
192.07730	0.7
193.06116	0.9
194.05830	1.3
195.06670	0.7
205.08675	5.1
206.09395	2.5
221.11815	0.7
234.09195	0.6
297.07993	0.8
303.46606	0.6
343.15500	0.8
355.11929	3.7
370.14276	2.8
372.15372	0.6
373.12674	0.9
373.75455	0.7
385.16608	2.1
388.15060	2.9
400.62527	0.6
403.17581	100.0
404.17886	9.6
409.68710	0.6
433.27969	7.8
505.32834	0.7
539.05182	0.7
565.22638	2.0
565.32599	8.9
566.32532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00565	2.1
59.01375	47.9
61.00525	1.9
61.98830	53.3
62.67524	2.2
63.14163	2.2
68.52116	2.0
69.41773	16.4
71.01381	36.0
72.99303	2.2
73.02929	9.1
78.95889	5.9
83.01392	4.6
85.02950	17.4
86.92947	2.1
87.00863	4.8
89.02445	32.2
93.03473	11.9
94.03764	2.7
96.96016	13.6
96.96960	2.6
97.02943	3.2
99.00864	8.9
101.02448	23.7
108.02193	12.5
109.02939	8.5
111.04482	4.1
113.02450	14.4
113.92632	3.4
116.92861	11.6
119.03490	5.6
123.04517	6.1
125.02428	8.6
127.04006	2.4
127.86408	2.5
131.03511	3.0
133.02925	3.4
135.04498	7.5
137.02509	5.3
143.03494	2.4
147.04570	2.5
149.02406	2.2
149.04521	8.2
150.03221	3.0
152.01138	10.0
153.01901	6.1
153.05550	3.9
161.02429	9.1
161.04559	3.6
165.05534	6.8
166.02725	3.8
168.00624	4.6
169.01395	4.7
173.04565	6.2
176.04738	2.9
177.01956	3.7
179.03450	11.8
181.05084	5.5
191.05615	57.5
191.07286	2.0
192.05951	11.1
193.06001	5.7
194.05812	6.2
195.06561	2.9
209.08202	19.2
227.03453	3.5
228.04044	2.9
267.12320	2.6
284.13599	2.9
293.08853	2.5
360.61679	2.3
371.14825	13.3
372.15179	4.6
373.15378	8.9
373.22284	10.8
403.17569	16.6
419.04129	3.5
449.14307	2.1
467.15588	6.7
505.26538	100.0
506.26733	6.8
529.26343	3.7
563.42340	2.6
565.20544	16.5
586.99512	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	565.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59983	1.2
51.88479	1.3
52.44521	1.3
59.01069	1.5
59.01377	30.1
61.98829	100.0
67.01875	1.2
69.03436	1.9
69.16628	14.6
71.01382	22.1
73.02948	5.3
78.95893	1.8
83.01395	2.1
84.49321	1.3
85.02946	9.7
87.00874	3.2
89.02444	15.5
89.09177	1.4
93.03455	3.4
95.01405	1.7
96.96014	8.7
96.96961	1.4
97.02965	1.6
99.00872	3.2
99.92586	7.1
101.02447	16.5
109.03004	1.9
111.00876	2.4
113.02451	9.2
116.92860	52.9
117.92809	2.3
119.03510	3.0
121.02886	1.4
123.87526	1.4
125.02442	4.9
127.07593	1.3
131.03490	4.8
133.02972	3.2
135.04552	4.3
137.02420	2.0
143.03459	2.3
149.04480	3.1
151.00432	1.4
153.01920	1.5
161.02460	5.6
161.04567	3.9
169.01389	4.4
173.04506	2.6
179.03383	1.4
179.05637	3.1
191.05597	16.5
193.25108	1.6
233.06718	1.7
369.70187	1.5
373.22229	9.7
403.13678	1.5
505.26480	56.0
506.26907	3.0
565.18848	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	565.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.1
59.01379	45.6
65.73019	1.2
69.03438	2.2
69.88789	1.3
70.83897	1.2
70.84236	2.9
71.01009	2.0
71.01384	30.0
71.02419	1.2
72.72931	1.4
72.99313	4.0
73.02952	2.1
79.95731	1.4
85.02944	9.9
87.00878	3.1
89.02439	31.6
93.03472	6.7
95.01389	2.7
96.96013	46.9
99.04527	4.5
101.02452	16.0
109.02921	2.4
111.04502	1.9
113.02463	16.3
115.00396	1.7
119.03484	12.0
125.02409	1.7
131.03535	3.3
133.10179	1.2
135.04538	2.7
135.11798	4.7
143.03516	2.3
159.11671	1.5
161.02457	1.1
161.04532	3.7
161.09715	9.3
173.04539	2.6
175.02510	1.6
179.05632	11.4
179.10774	38.9
180.11092	2.4
190.68980	1.1
191.05612	28.8
192.05945	2.1
196.05612	1.2
197.74591	1.2
205.08722	1.8
207.06583	5.4
214.19926	1.2
223.09738	100.0
224.10046	3.3
265.10745	4.4
297.07837	1.5
320.55435	1.3
321.71280	1.5
337.93481	1.4
359.17383	2.6
385.15030	15.4
391.10330	1.7
403.16061	63.1
404.16293	4.5
467.15662	2.7
565.15094	5.0
565.22345	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	565.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.88221	0.4
56.68878	0.5
59.01380	5.9
60.97182	0.5
61.98830	6.4
62.33052	0.5
66.07411	0.4
69.29676	1.1
69.30082	4.1
71.01381	6.6
73.02956	2.7
73.06764	0.5
75.38194	0.5
78.95884	0.6
79.98328	0.4
82.30484	0.4
82.79294	0.5
83.01371	1.1
85.02949	4.2
87.00856	1.1
89.02407	2.5
93.03452	1.8
96.96004	0.9
101.02443	4.2
101.33475	0.6
108.73364	0.4
109.02956	0.6
111.00858	0.8
113.02454	2.5
114.63716	0.5
115.70569	0.5
116.92885	0.9
123.00891	1.5
123.04554	0.8
124.01649	1.9
125.02419	1.3
131.03458	0.6
133.02884	0.7
134.03735	0.5
135.04611	0.9
136.57141	0.5
137.02444	1.0
139.00336	1.6
139.03947	1.4
145.06548	0.6
151.00357	17.7
151.01584	0.8
151.03961	1.6
152.01155	8.2
153.01897	1.1
153.05545	1.8
159.02989	0.5
161.02455	0.6
161.04471	0.6
163.04048	0.7
163.07634	1.0
164.04791	1.6
165.01988	0.7
166.02702	50.4
167.03485	11.8
173.04617	1.1
173.06049	1.4
175.03958	1.0
176.04794	1.5
178.06381	0.6
179.03636	0.6
179.07109	1.3
180.04228	0.5
181.05060	59.1
182.05391	1.8
189.05606	0.6
190.06329	8.1
191.05568	7.5
191.07132	7.9
192.06004	1.1
193.06206	0.9
193.08577	0.6
195.06616	1.0
205.08682	5.3
206.09444	2.8
208.07407	0.6
234.08981	0.7
297.04236	0.5
297.07666	0.6
311.12781	0.7
340.09381	1.1
343.15332	1.1
355.11746	3.0
370.14218	3.0
371.14902	1.0
373.12796	1.6
385.16507	2.2
388.15271	2.7
403.17572	100.0
404.17892	7.3
429.88858	0.6
433.28015	7.1
439.08066	0.5
565.22473	2.0
565.32001	11.1
566.32263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
57.32347	0.4
57.89873	0.5
59.01374	2.5
60.99296	1.6
61.43079	0.4
67.01890	3.5
69.03454	1.5
69.41766	1.9
69.42195	1.3
71.01380	2.4
73.02937	0.7
79.85691	0.4
81.03439	1.1
83.05052	0.9
85.02953	9.0
87.00876	7.2
93.03458	24.3
96.96014	0.8
97.02957	0.7
99.00852	0.5
99.04529	1.2
108.02159	0.5
109.02953	12.3
111.04531	4.0
113.02474	0.5
127.04021	2.7
129.01907	1.2
133.02959	0.7
135.04524	3.8
137.02443	19.4
145.02902	2.4
155.03508	1.5
161.02443	2.0
171.02975	0.6
171.66183	0.4
173.04549	10.7
175.04045	0.6
179.03450	0.5
179.42361	0.4
191.05602	100.0
192.06021	1.9
193.04985	0.8
209.06587	0.7
219.06578	0.9
221.04536	0.6
240.18253	0.4
253.07152	0.7
255.06590	9.8
329.10318	4.6
353.08679	3.1
355.08063	1.0
427.12436	15.6
428.12704	0.8
533.12909	0.8
538.82178	0.5
547.14575	0.8
565.15607	39.6
566.16101	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	565.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11891	0.3
55.01881	0.4
55.65452	0.3
57.03442	0.3
59.01379	5.1
60.31137	0.2
61.98832	3.5
69.03461	0.4
71.01379	3.1
71.53166	0.4
71.53545	0.4
72.99287	0.4
73.02953	1.0
75.00876	0.3
76.59977	0.3
79.95792	0.3
81.77419	0.3
83.01395	0.9
85.02947	1.4
87.00892	0.9
88.98803	0.3
89.02461	1.5
93.03442	1.4
95.01370	0.6
96.96011	5.3
96.96950	0.4
97.02943	0.5
99.00858	0.5
101.02441	2.5
107.05052	0.4
108.02211	0.6
109.02957	3.9
111.00887	0.5
111.04494	0.3
113.02468	1.0
116.92852	1.4
120.99598	0.3
121.02966	1.9
122.03755	0.3
123.00874	0.5
123.04510	0.4
124.01639	0.3
125.02443	1.3
133.02975	1.0
134.03787	2.6
135.04530	100.0
136.04855	3.3
137.02455	5.7
139.00375	0.9
139.03969	0.3
146.03741	0.4
149.04561	0.3
149.05981	0.4
151.04033	0.4
152.01117	0.4
153.01930	1.0
161.02460	3.1
161.06012	0.5
162.02806	0.9
163.04091	0.7
164.04727	0.5
165.01950	1.0
168.00563	0.4
169.01440	0.9
173.04628	0.3
177.01915	0.6
179.03525	2.1
179.07173	1.0
179.10828	0.6
180.03949	0.5
183.03017	0.3
191.05612	4.0
192.05984	0.5
200.93623	0.3
209.11833	0.3
224.06897	0.4
248.07935	0.3
271.19223	0.9
361.13043	0.8
367.14063	0.6
385.16620	0.6
388.15244	1.5
403.17685	4.2
404.18091	0.5
449.14655	0.3
467.15674	0.6
505.26138	0.5
521.20471	1.9
529.26971	0.4
547.27637	0.5
565.21674	5.3
565.29639	1.0
566.23120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72527	0.5
59.01381	17.2
61.98828	5.6
69.53725	2.1
69.54137	1.4
69.54358	0.5
71.01395	3.2
73.00774	0.6
73.02942	1.3
73.81813	0.6
78.95887	0.9
83.01365	0.7
85.02955	2.3
87.00885	0.7
89.02428	1.6
93.03455	2.0
96.96010	6.0
97.02877	0.5
99.00855	0.8
101.02437	2.0
109.02961	1.4
113.02414	0.7
115.17156	0.7
116.92847	2.5
121.02960	1.4
125.02458	1.1
133.02928	0.6
135.04526	14.5
136.04877	1.0
137.02454	2.0
146.03729	1.3
153.01982	0.7
161.02432	0.7
168.00648	0.6
173.04543	1.2
177.01941	0.8
179.03481	2.5
179.07133	1.9
180.03882	0.7
183.02959	0.6
191.05574	4.2
193.06079	0.7
254.99213	1.3
269.98077	7.6
270.98776	0.8
271.19101	2.2
285.00339	9.9
293.00812	0.6
297.03876	0.8
297.97534	29.1
298.98138	3.2
299.01669	0.9
312.99875	50.0
314.00452	5.0
327.01358	1.3
328.02228	55.9
329.02866	8.9
338.00552	1.4
343.04559	100.0
344.04913	6.8
353.02884	3.1
355.11749	1.2
370.14209	0.7
373.12891	0.7
385.16702	1.0
388.15347	1.5
403.17615	7.1
467.15643	1.0
502.15546	0.7
565.22028	4.0
565.29315	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	564.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42262	0.6
58.99360	0.8
59.01380	2.4
61.98829	100.0
63.44792	0.8
69.19582	1.7
69.19991	5.5
71.81750	0.6
76.70460	0.7
77.16747	0.7
92.17862	0.7
106.65530	0.7
116.92850	0.9
128.46358	0.7
197.11816	0.7
211.24741	0.7
212.06856	0.6
219.85316	0.7
342.48828	0.9
474.33536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98317	0.3
58.97188	0.3
59.01370	1.4
61.98823	1.4
62.68164	0.3
71.01373	1.2
71.53168	0.5
72.99306	0.4
83.01342	0.3
85.02942	0.5
89.02435	0.6
98.74203	0.3
99.92581	9.5
101.02435	1.0
107.05009	0.5
113.02438	0.5
116.92856	100.0
117.92853	3.1
131.03459	0.8
135.04482	0.4
149.04500	0.5
181.08711	0.3
184.92537	0.3
191.05591	1.4
200.16579	0.4
208.28897	0.3
271.02267	0.4
300.02649	0.7
301.03561	0.3
348.41098	0.3
373.22391	1.3
447.09442	1.0
481.85800	0.4
505.26120	0.4
505.88803	0.4
547.02057	0.9
565.18927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99025	0.3
56.01327	0.4
59.01378	100.0
60.01728	0.6
61.98833	3.7
67.01894	0.7
69.03469	0.7
71.01365	1.8
71.53420	0.6
72.99345	0.6
73.02945	0.4
78.95890	0.8
81.30035	0.4
85.02942	2.0
87.00864	1.0
89.02437	0.6
93.03474	2.8
97.06586	0.4
101.02449	1.2
110.65666	0.4
111.04568	0.6
113.02461	0.5
125.02489	0.4
135.04530	0.9
137.02509	0.6
173.04579	1.7
173.05951	0.4
191.05600	9.6
192.06027	0.7
211.13362	0.6
215.07214	0.6
233.08200	1.1
274.08435	0.5
327.21829	0.7
423.13089	0.8
441.29947	0.4
471.31516	1.4
483.31375	1.2
503.33850	6.0
504.34415	0.7
545.20380	0.8
562.76855	0.8
563.22058	0.8
563.30865	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01698	1.2
61.98816	2.0
66.72066	0.6
69.74883	1.9
69.75299	1.5
71.01388	0.8
83.05020	0.7
85.02954	0.7
101.02466	0.8
106.50996	0.6
109.46162	0.6
123.08160	0.6
126.92043	0.6
137.02463	0.6
150.10359	0.5
191.05641	3.1
255.17628	0.9
316.33203	0.7
361.25058	0.9
377.28500	2.2
393.31412	0.7
437.30435	3.4
455.31512	0.9
471.30960	0.6
483.31082	8.5
501.31308	0.7
503.33752	89.3
504.34116	10.2
563.35480	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93394	7.3
52.53752	7.5
59.01379	67.6
61.98816	36.9
69.96910	16.3
69.97313	30.7
78.95929	9.6
87.00845	8.1
93.03467	9.1
96.96917	7.5
98.53895	8.5
166.79170	6.9
168.54039	7.5
185.64786	8.0
191.05629	43.3
241.35939	7.7
347.16284	8.6
462.54507	7.8
462.96466	10.7
503.33914	100.0
528.61798	9.5
563.28333	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	563.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88393	0.7
59.01378	100.0
61.98838	2.7
63.10487	0.7
75.00866	6.4
98.19798	1.9
138.67822	0.7
141.27493	0.8
158.92572	0.6
191.05664	3.3
229.90706	0.9
328.75699	0.8
401.28577	1.0
421.31360	1.7
439.32275	1.6
441.33704	14.5
441.39114	1.1
442.34039	1.2
459.35040	2.7
467.76846	0.9
487.34564	1.0
503.33777	63.2
504.34140	7.3
517.64746	0.8
556.64240	0.7
563.35828	10.0
564.36292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.18812	0.3
60.01707	0.9
61.98848	0.7
65.03737	0.4
66.31320	0.3
70.27644	1.1
96.17373	0.4
106.56262	0.3
112.30130	0.3
112.36897	0.4
122.08750	0.3
128.99699	0.3
151.92171	0.4
191.05643	0.5
353.19516	0.4
409.31171	1.0
438.11322	0.4
441.33942	0.6
503.33902	5.5
504.34570	0.7
563.35907	5.5
563.44043	0.5
564.36646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01377	3.5
61.98843	1.8
67.01872	0.9
69.03445	0.8
69.22463	3.4
71.01379	3.1
72.99302	0.4
73.02948	0.4
78.95892	0.4
81.03464	0.7
83.01357	0.4
83.05032	0.5
85.02948	13.6
85.03468	0.8
87.00871	3.7
89.02433	0.6
89.54401	0.3
93.03461	7.3
95.01392	1.4
96.96031	0.6
96.96946	0.4
97.02959	0.3
99.00892	0.4
99.04497	0.7
101.02452	1.2
109.02944	1.5
111.04527	1.6
113.02451	0.9
119.03008	0.3
127.04012	2.7
131.03510	0.5
133.02948	0.5
135.04529	1.0
137.02414	1.0
153.01880	0.5
153.04079	0.4
159.04532	0.5
161.02464	1.1
161.04549	1.1
163.04108	0.4
171.02951	0.7
171.10269	1.2
172.05283	3.6
173.04504	3.1
173.05806	0.6
177.01862	0.5
179.78876	0.3
183.04610	0.7
184.05292	0.8
185.06133	0.4
187.04034	0.9
191.05605	100.0
192.05922	2.0
197.06064	2.0
198.06714	0.6
199.04008	5.9
200.04796	2.5
201.05508	0.9
201.11317	1.0
202.40602	0.5
204.04211	0.6
210.03011	0.4
211.04012	1.0
211.07646	0.7
213.05605	0.4
214.06416	0.7
227.03476	20.3
228.04250	12.1
229.04649	0.7
232.03673	0.6
253.09305	1.7
255.13802	0.5
257.15475	0.7
267.14096	0.8
281.15518	0.4
283.13394	21.3
284.13757	1.2
300.40277	0.4
301.14438	5.0
302.27209	0.3
309.14948	9.3
310.15173	0.6
311.12930	3.9
325.14435	1.9
327.12369	1.3
327.16000	4.8
327.21719	5.6
329.13998	3.2
335.12708	0.6
343.15561	0.7
345.17096	1.0
353.13940	8.2
354.14200	0.5
361.74402	0.3
362.79611	0.3
371.14963	90.1
372.15295	6.6
377.12057	0.4
389.16318	0.4
447.79410	0.3
457.53513	0.4
503.24829	0.8
563.20575	2.0
563.29443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
50.62117	0.3
55.01885	0.4
57.03454	0.4
59.01373	3.5
60.99280	0.3
61.98832	0.5
69.75862	0.9
69.76260	0.6
71.01384	5.6
72.99319	0.3
73.02955	1.8
73.03293	0.3
81.53460	0.3
83.01376	0.8
85.02943	3.0
87.00864	0.3
88.98785	1.5
89.02448	0.8
93.03460	1.3
97.02948	0.3
99.00888	0.9
101.02453	3.7
105.03472	0.5
107.05031	0.6
109.02928	0.5
113.02435	2.6
115.01874	0.3
117.03448	1.6
123.04556	0.4
125.02463	0.4
131.03497	1.0
131.51997	0.3
132.02164	2.2
133.02953	39.5
134.03833	2.0
135.04521	23.5
136.04836	0.7
137.02414	0.5
137.38120	0.3
143.03453	0.4
159.72626	0.3
161.02437	100.0
161.04608	2.8
162.02773	4.6
173.04538	1.0
174.04863	0.4
177.05586	0.3
179.03487	11.4
191.05592	5.8
203.03647	0.4
221.04590	0.4
269.10257	0.6
293.06674	1.0
327.21652	0.5
352.91028	0.3
367.58408	0.3
371.15897	0.5
371.20648	4.8
503.25064	3.4
563.17645	69.1
564.17950	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03442	1.9
59.01379	49.7
61.98840	8.3
67.01878	3.9
68.99535	1.3
69.03442	6.1
71.01382	23.8
71.54726	1.9
72.99313	7.1
73.02951	8.7
75.00862	1.8
83.01366	3.8
85.02946	20.4
86.03311	1.5
87.00872	11.1
89.02434	10.7
93.03464	28.7
94.03773	3.5
95.01389	2.9
96.96024	3.8
96.96976	1.8
97.02943	1.5
99.00868	3.4
101.02428	14.3
105.03468	2.2
108.02174	1.6
109.02941	4.5
111.00943	2.2
111.04478	3.4
113.02473	8.1
115.18171	1.4
119.03476	2.3
119.05016	5.5
121.02957	7.8
123.00842	1.6
123.04538	1.7
125.02422	4.4
127.03999	1.7
133.02992	8.2
134.03282	2.8
135.04506	9.8
137.02426	4.4
139.00293	1.7
145.02957	2.5
147.04529	22.3
159.04549	3.0
160.01637	5.9
161.02444	13.4
161.04515	1.5
162.02882	3.4
165.05569	49.0
169.01418	3.4
173.04532	11.8
177.01939	3.0
179.03456	5.1
180.03754	1.4
189.05617	2.0
191.05598	100.0
192.05952	21.8
193.06075	16.3
229.08736	2.0
233.08212	3.3
239.07040	1.9
243.10417	1.4
253.09325	1.9
255.10512	1.4
263.07254	2.0
267.06558	2.4
268.07324	2.5
269.08200	4.8
270.08957	1.7
280.07330	2.2
281.08191	10.1
282.08847	4.7
283.09763	4.4
283.13257	2.4
293.08224	3.8
295.09689	3.3
296.10428	2.0
297.10974	1.9
299.09235	3.3
302.07874	1.5
311.09213	4.4
314.07993	2.6
314.11536	5.5
315.12180	3.8
326.11603	9.0
327.12256	5.9
327.15698	3.5
327.21759	6.7
329.13989	9.3
341.13867	5.4
345.17206	2.0
351.07111	3.6
353.07718	4.9
353.13846	1.7
355.11740	5.9
369.09555	3.7
370.10178	4.2
371.10205	11.6
371.14758	5.5
371.20419	2.2
415.12433	3.0
455.13666	3.2
458.15662	3.8
470.15717	4.8
473.18350	29.9
474.18701	2.0
476.16656	7.9
485.18158	44.4
486.18277	3.7
488.16470	3.6
491.19220	31.9
492.19354	2.3
503.19211	50.5
504.19687	4.1
515.15277	1.8
527.24890	18.8
528.25403	2.4
533.20251	41.1
534.20636	4.2
545.20392	28.6
546.20172	1.9
563.16925	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	563.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.75863	1.1
69.00081	1.2
71.01353	1.8
71.52446	2.1
78.95897	2.3
85.02946	4.3
87.00844	2.4
93.03423	2.5
96.96014	2.5
132.79814	1.1
161.02437	1.7
173.04520	2.1
188.98091	1.5
191.05608	100.0
192.05998	2.9
208.93384	1.5
209.06586	2.3
222.43185	1.1
241.01186	1.6
293.80740	1.1
303.01254	1.4
321.37750	1.4
326.70538	1.5
353.08743	16.4
355.41458	1.2
373.63629	1.2
406.40256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23617	0.2
53.56618	0.2
54.28137	0.2
57.03436	0.4
59.01376	2.8
60.99305	0.4
61.98465	0.2
61.98823	0.4
67.01888	1.7
69.03451	0.7
69.88223	1.2
71.01379	1.5
72.99310	0.3
73.02953	0.4
81.03444	0.6
83.01398	0.2
83.05029	0.6
85.02554	0.1
85.02946	8.2
87.00869	3.3
89.02425	1.2
93.03458	10.9
96.96027	0.4
97.02949	0.3
99.00856	0.3
99.04506	0.5
101.02434	0.7
108.02148	0.3
109.02946	2.0
111.04518	2.0
113.02431	0.4
125.02463	0.4
127.03999	2.2
131.03546	0.4
133.03032	0.4
135.04567	1.7
137.02463	4.3
141.01924	0.3
147.04523	0.5
149.04539	1.3
155.03542	0.6
159.04500	0.8
161.02402	1.4
166.02667	0.2
171.03024	0.6
173.04550	4.5
175.03984	0.8
177.01984	0.3
177.05571	0.4
179.03497	0.3
187.04117	0.4
191.05614	100.0
192.05966	2.1
240.54440	0.2
268.07364	0.6
283.09775	0.8
297.07700	1.0
312.10074	0.6
327.08978	0.4
327.12289	2.1
353.10263	0.4
368.65643	0.3
371.11383	1.3
425.14426	0.6
545.16620	6.6
546.17120	0.6
549.75781	0.2
563.17725	6.0
563.26215	0.5
564.18225	0.4
593.82556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75504	0.3
57.03424	0.3
59.01379	2.4
60.99289	0.4
65.38068	0.3
67.01883	1.5
69.03463	0.5
69.74348	1.6
71.01384	2.0
73.02935	0.3
77.34684	0.3
81.03455	0.7
81.83000	0.3
83.05029	0.5
85.02949	8.4
87.00876	2.8
89.02415	1.3
93.03458	10.0
99.04523	0.6
101.02430	0.6
109.02951	1.5
111.04539	2.0
113.02400	0.5
125.02416	0.6
127.04026	1.6
129.01941	0.4
131.03514	0.4
135.04532	1.4
137.02441	3.4
148.11490	0.3
149.04469	1.4
155.03473	0.6
159.04585	0.7
161.02454	1.3
171.02979	0.6
173.04536	4.5
175.02448	0.3
175.04016	1.0
187.03925	0.2
191.05603	100.0
192.05962	2.1
193.05026	0.4
247.21693	0.3
268.07422	0.3
283.09570	0.4
285.84216	0.3
297.07651	0.7
312.10120	0.6
327.12479	2.3
353.09937	0.6
371.11465	1.7
425.14456	0.6
545.16626	7.3
546.16858	0.5
563.17725	5.7
564.18781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16124	0.6
57.03435	0.6
59.01372	4.2
60.99300	1.6
63.89888	0.6
67.01898	8.1
69.03438	2.2
71.01387	3.7
72.99310	0.6
73.02953	0.9
80.96529	1.1
81.03459	1.4
83.05022	1.8
85.02959	10.3
87.00873	8.9
89.02437	1.4
93.03458	38.1
94.03770	1.8
94.91852	0.7
95.05027	1.2
96.96018	2.2
98.19860	1.3
99.00898	1.2
99.04521	0.9
101.02448	1.4
101.49911	0.7
105.03473	2.5
109.02948	2.4
111.00880	0.9
111.04521	6.5
113.02464	1.1
121.02926	1.0
125.02481	1.0
127.04002	2.9
127.71394	0.7
129.01903	0.8
132.02173	3.1
133.02968	19.3
134.03743	2.1
135.04521	17.3
137.02446	2.5
150.03233	1.2
151.04010	1.8
155.03513	2.6
158.95409	0.6
160.01672	8.8
161.02429	15.4
171.02953	0.9
173.04546	32.6
177.01912	9.1
178.02650	1.2
179.03532	6.8
179.05020	1.0
191.05612	100.0
192.05952	2.3
193.05066	1.1
195.06616	2.0
202.08046	0.6
215.05516	3.4
248.76593	0.7
254.54492	0.9
260.97778	0.6
269.33633	0.7
307.08234	1.5
308.08929	1.4
351.07184	10.4
352.07687	1.4
367.10260	2.2
369.09760	21.7
370.10202	1.2
373.74860	0.7
387.10681	1.5
388.35294	0.8
543.14673	1.0
561.15851	18.9
562.16486	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	561.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01376	100.0
59.88433	0.9
61.98819	1.0
70.11357	0.7
71.01373	2.1
71.53566	1.2
71.53952	0.8
78.95878	0.9
85.02936	3.4
85.26659	0.7
87.00854	1.6
91.28128	0.7
93.03447	3.2
97.06577	0.8
109.02950	1.1
127.04026	1.1
133.62903	0.7
171.10176	1.0
191.05595	26.2
192.05928	1.3
207.10338	1.1
225.11157	1.0
227.03455	1.4
281.10178	1.7
283.13330	2.7
327.16013	1.2
353.14011	1.2
391.29886	2.2
409.31299	4.4
439.31738	4.6
445.22592	0.9
457.33142	3.0
471.31076	16.8
501.32181	45.3
502.32663	5.3
561.34216	2.5
574.77222	0.8
587.86279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69851	0.3
55.27855	0.3
57.03439	0.6
59.01377	100.0
60.01707	0.8
61.98832	0.6
69.42662	0.5
69.43067	1.4
71.01381	0.3
83.48582	0.2
85.02938	0.3
93.03492	0.3
94.86703	0.2
107.55816	0.2
191.05579	1.3
218.39137	0.2
228.28006	0.2
262.56918	0.3
290.93005	0.3
392.27338	0.3
407.29312	0.5
419.29330	0.4
469.29694	0.8
501.32224	8.3
502.32596	0.9
532.68896	0.3
561.34369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
71.01402	0.2
71.54193	0.4
71.54574	0.2
79.95737	3.7
91.84374	0.2
96.96010	100.0
109.02930	0.3
138.20699	0.2
148.49849	0.2
151.00391	0.5
178.99931	0.3
180.75536	0.3
191.05594	0.6
193.00839	0.3
243.02942	0.4
255.03008	0.9
271.02448	2.0
300.02747	4.6
301.03488	2.2
463.08795	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	561.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01847	0.2
57.03451	0.3
59.01382	2.2
60.99305	0.5
61.98825	2.4
63.69129	0.2
67.01888	1.8
69.03459	0.6
70.47853	0.6
71.01386	1.7
73.02951	0.5
73.78222	0.2
74.84216	0.2
75.39967	0.3
79.95769	0.3
80.31931	0.2
80.96526	0.8
81.03445	0.5
83.05029	1.0
85.02946	10.2
87.00875	3.2
89.02451	0.5
93.03455	13.6
94.03847	0.3
94.98104	0.4
95.01435	0.3
95.05047	0.3
96.96041	0.3
97.27829	0.2
99.00890	0.3
99.04512	0.4
101.02444	0.5
105.03476	0.8
109.02932	1.2
111.04519	2.1
113.02465	0.5
121.02955	0.3
124.01674	0.3
125.02477	0.7
127.04012	2.3
130.89453	0.3
132.02177	3.5
133.02956	9.5
134.03706	0.9
135.04520	6.4
135.05518	0.4
137.02422	0.7
141.79239	0.2
149.02434	0.3
151.03981	0.6
155.03528	0.5
160.01659	8.4
161.02437	16.8
162.02803	0.7
163.04041	0.4
171.03006	0.7
173.04544	6.4
174.03194	0.8
175.03990	0.4
177.01903	3.0
178.02652	0.7
179.03479	2.2
180.04158	0.3
191.05600	100.0
192.05945	2.9
193.05026	0.4
195.06577	1.1
202.02739	0.5
202.24487	0.2
215.05598	2.0
217.12402	0.2
220.06322	0.2
225.00691	0.6
247.90813	0.3
307.08249	0.3
308.08939	0.7
351.07199	6.7
352.07626	0.9
366.09323	0.4
367.10330	0.9
369.09753	19.6
370.10059	1.3
387.10724	1.0
525.28839	1.1
543.14343	0.5
543.21649	0.6
561.15894	16.1
562.16205	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	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79376	0.9
57.03440	1.2
59.01383	13.5
60.99297	1.9
61.98824	3.0
66.65733	1.0
67.01893	5.4
69.03451	3.2
71.01379	12.3
71.53990	1.5
73.02944	3.4
77.03973	1.9
81.03460	1.8
83.05041	2.2
85.02954	11.3
87.00871	6.0
89.02445	16.8
90.19057	1.0
93.03456	35.3
95.05040	3.9
96.96012	2.9
99.00889	4.8
99.04491	1.2
101.02480	6.1
105.03455	11.1
109.02977	3.5
111.04545	6.1
113.02489	1.9
123.04499	1.2
125.02424	2.3
127.04073	2.0
129.01930	1.0
131.03488	2.6
132.02153	3.1
133.02959	66.9
134.03792	5.6
135.04532	16.0
137.02434	4.4
149.04568	13.4
150.03232	1.1
151.03989	1.9
153.01964	1.6
155.03514	2.7
160.01653	6.2
161.02422	11.7
164.84445	1.0
173.04539	33.2
177.01932	52.9
178.02728	8.2
179.03481	8.7
191.05608	100.0
192.05960	2.9
194.05833	1.2
195.06593	1.0
209.08188	1.8
215.05637	5.1
221.06529	1.4
234.94003	1.1
251.07677	1.2
255.00117	1.1
300.02747	1.1
307.08310	1.4
308.08878	2.0
351.07187	17.6
352.07779	1.2
367.10440	1.8
369.09796	19.7
370.09958	1.1
387.10727	4.2
561.15796	6.1
561.24078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70415	0.1
57.54418	0.1
59.01384	0.2
61.98830	100.0
62.50264	0.1
72.90381	0.1
78.95912	0.9
80.96515	0.2
85.02972	0.3
85.55943	0.1
93.03494	0.3
98.19846	0.2
102.23891	0.1
152.99651	0.3
191.05611	1.7
255.23273	1.5
256.23621	0.7
257.24063	0.3
409.23532	0.2
425.88742	0.1
480.30972	0.9
481.31525	0.2
482.31793	0.2
483.31631	0.7
557.32922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98829	100.0
62.98527	0.2
71.01376	0.5
71.53539	0.4
85.02961	0.4
87.00888	0.2
89.02443	0.4
92.03681	0.2
93.03474	0.6
96.96011	0.3
101.02469	0.3
105.53384	0.2
106.14970	0.2
111.11568	0.2
116.91340	0.2
117.14029	0.2
125.02451	0.4
131.61397	0.3
133.02953	0.3
135.04535	0.6
141.51749	0.2
161.02472	1.7
162.02675	0.4
163.00375	0.2
165.05582	0.3
167.07303	0.3
169.01367	0.4
179.03456	0.3
191.05606	4.2
192.05978	0.8
270.82248	0.2
353.08667	0.3
354.03412	0.2
495.21820	1.0
558.16321	1.2
559.15161	0.9
567.36896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98829	100.0
62.98527	0.2
71.01376	0.5
71.53539	0.4
85.02961	0.4
87.00888	0.2
89.02443	0.4
92.03681	0.2
93.03474	0.6
96.96011	0.3
101.02469	0.3
105.53384	0.2
106.14970	0.2
111.11568	0.2
116.91340	0.2
117.14029	0.2
125.02451	0.4
131.61397	0.3
133.02953	0.3
135.04535	0.6
141.51749	0.2
161.02472	1.7
162.02675	0.4
163.00375	0.2
165.05582	0.3
167.07303	0.3
169.01367	0.4
179.03456	0.3
191.05606	4.2
192.05978	0.8
270.82248	0.2
353.08667	0.3
354.03412	0.2
495.21820	1.0
558.16321	1.2
559.15161	0.9
567.36896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
60.10457	0.1
61.98826	100.0
69.29298	1.2
71.01369	0.2
71.30447	0.1
85.02934	0.2
89.02440	0.3
97.05984	0.1
101.02505	0.1
106.25227	0.1
113.02484	0.1
119.03526	0.2
169.07690	0.3
170.08061	0.3
191.05638	0.3
250.29932	0.2
265.09909	0.4
266.10208	0.6
267.10474	0.4
318.13040	0.2
462.38657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.52622	0.6
76.18198	0.4
76.62904	0.4
78.95919	1.1
86.08328	0.5
105.38491	0.5
150.28000	0.4
170.22668	0.6
279.23279	3.5
284.63565	0.5
471.34760	19.7
472.35095	1.7
504.30905	1.1
556.32520	82.8
557.32898	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	557.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	38.9
61.98832	95.9
65.76806	4.9
69.03436	10.1
70.74061	5.0
71.01382	41.5
73.02948	7.8
81.88608	5.6
85.02928	10.3
88.91975	4.9
88.98802	8.9
89.02013	6.1
89.02442	67.4
93.03450	42.7
98.19898	20.2
99.00898	8.7
101.02443	15.2
113.02441	13.1
121.02928	14.5
125.02443	35.6
131.03426	9.2
133.02977	36.2
135.04510	19.5
137.02440	43.9
149.04568	22.6
152.46982	5.4
161.02446	100.0
169.01353	10.7
179.03468	14.5
191.05573	40.2
197.06192	6.0
227.07104	36.3
233.06541	31.6
293.08752	98.2
329.06339	14.4
407.38632	5.4
413.10956	31.9
533.86261	5.6
557.14447	17.9
557.22235	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	94.7
61.98822	100.0
67.80755	12.9
69.03422	15.4
71.01378	39.0
71.53341	17.3
85.02958	34.1
87.04564	14.5
88.98769	18.7
89.02426	88.1
101.02433	19.7
106.79195	14.4
113.02425	23.8
115.64858	14.8
119.03491	40.5
124.14072	13.7
125.02447	65.5
130.61969	11.7
135.04523	16.5
138.03148	13.8
139.04010	64.0
141.52394	13.4
161.02396	27.6
169.01463	44.5
169.07706	44.8
179.05569	38.9
183.90381	13.5
191.05540	80.5
203.64572	17.2
244.13571	14.8
311.09067	28.4
326.11530	37.2
341.13828	94.2
410.29352	15.6
423.67307	15.0
431.23895	18.1
432.35480	16.7
557.17889	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
61.98829	100.0
63.63200	0.4
66.67570	0.4
69.03468	0.9
70.94091	0.9
71.01390	1.8
73.02902	0.5
85.02940	1.3
88.29573	0.5
88.98821	0.7
89.02464	1.0
93.03436	1.0
101.02451	1.6
105.03422	0.6
109.02956	0.5
113.02435	0.8
117.03465	0.5
121.02899	0.5
125.02478	1.0
132.02225	0.5
133.02960	15.6
134.03448	0.6
135.04533	5.9
149.71722	0.5
150.03238	0.7
161.02434	56.2
162.02798	2.9
165.05565	0.8
169.01476	0.5
179.03465	2.8
191.05606	5.8
335.22427	1.3
493.20779	50.5
494.20901	5.1
556.20831	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	555.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95696	4.4
57.03429	6.6
59.01382	64.1
59.53119	3.5
61.98830	100.0
69.03467	29.0
69.22731	3.8
71.01378	57.6
71.53716	6.2
72.99299	4.3
73.02935	22.0
73.87602	3.4
75.00870	24.7
78.95897	5.0
83.01378	6.8
85.02952	29.5
87.00868	8.3
88.98825	3.9
89.02430	15.1
93.03429	13.3
95.01342	5.6
95.05035	5.7
95.33470	3.2
96.95988	7.9
97.02937	8.1
99.00877	6.3
101.02438	34.0
109.02936	6.2
111.00823	4.5
113.02440	16.4
119.03493	3.9
121.02952	12.5
121.06573	13.2
125.02440	17.9
131.03481	9.1
133.02957	29.3
135.04526	32.3
136.01724	4.1
137.02428	34.2
139.00357	4.7
139.03969	12.2
141.01917	5.1
149.02435	8.6
150.03233	7.7
151.03894	6.6
153.01953	4.2
161.02428	95.1
161.04527	8.6
163.04036	3.9
164.04759	12.5
165.05548	13.4
169.01331	4.8
173.04565	7.2
179.03471	14.7
179.07130	6.0
181.04956	3.9
183.06410	4.3
183.10193	4.6
191.05609	28.4
192.06081	5.0
197.00969	4.3
214.34448	3.4
284.59943	4.0
313.10855	6.8
345.12155	3.8
363.23834	59.2
364.24527	4.5
393.20825	6.3
446.09967	4.1
446.77258	3.7
493.20776	33.7
495.20999	4.5
495.28149	90.3
496.67383	3.9
537.27240	8.4
555.19836	24.7
556.20435	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	556.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
61.98830	71.8
65.19976	1.3
69.99946	2.9
70.00367	5.0
71.01373	3.2
85.02920	1.7
88.98769	2.3
89.02447	2.6
96.20126	1.4
105.52901	1.5
113.02431	2.1
125.02392	2.0
132.02142	1.8
133.02951	25.3
134.03767	4.1
135.03596	2.5
135.04523	18.1
136.04778	1.7
137.02448	3.9
139.00377	7.3
146.89282	1.3
153.01939	12.0
154.02809	8.5
161.02437	77.2
161.06070	2.3
162.02815	4.0
163.03960	1.4
168.04260	3.6
169.01442	2.6
169.05063	7.0
177.05582	3.2
178.02589	2.4
179.03474	14.7
189.47865	1.5
191.05554	3.8
195.06447	1.6
221.04462	2.7
251.06265	1.4
313.78412	1.8
323.07819	8.1
337.09512	1.8
493.13519	100.0
494.13651	10.9
526.15936	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	556.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98828	100.0
64.15619	0.6
70.32749	1.4
70.33154	1.7
71.01379	1.2
72.50331	0.8
76.15288	0.5
78.95879	0.6
80.84795	0.7
85.02957	1.1
89.02426	0.7
93.03461	1.4
97.02966	0.7
98.19933	0.8
101.02450	1.3
119.05061	2.3
120.05393	0.6
121.03012	1.4
133.02962	3.6
134.03745	7.1
135.04536	10.1
137.02444	9.0
139.04028	3.1
161.02429	4.5
163.04018	1.6
165.01962	0.8
178.02718	5.2
179.03487	9.7
191.05640	4.1
192.05682	0.7
227.50446	0.7
249.03813	0.6
271.17099	1.0
307.85583	0.7
315.15952	8.2
331.15305	0.8
493.20807	52.0
494.21066	4.8
556.26910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.75351	0.5
59.01373	1.0
63.96245	0.6
64.17068	0.5
69.40818	1.5
69.41246	2.9
71.01382	4.8
73.02949	1.6
78.98585	5.4
79.95733	8.1
80.96515	57.3
85.02946	1.9
87.00870	2.2
87.25850	0.4
94.98080	14.6
96.95996	1.2
97.02927	1.3
99.00848	0.6
101.02407	1.6
106.98062	2.8
122.97582	2.8
125.02431	2.9
127.03985	0.6
134.97557	3.8
136.99104	1.1
148.17471	0.5
148.18774	0.5
148.99132	6.0
152.98624	5.5
164.98621	9.5
167.00125	0.5
206.99731	2.5
225.00731	12.4
255.23238	1.7
299.04449	3.1
308.14267	0.5
383.90024	0.6
469.81567	0.5
555.28375	100.0
556.28741	9.2
580.85510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92670	0.2
59.01376	1.6
61.38018	0.2
61.98829	4.5
65.48480	0.2
69.81744	1.1
70.38921	0.2
71.01385	1.1
71.05016	0.6
72.03627	0.2
72.78833	0.2
72.99337	0.2
73.02946	0.3
83.01376	0.3
85.02940	0.7
87.00880	0.4
88.98823	0.4
89.02454	0.4
93.03458	0.5
95.01412	0.2
95.05035	0.3
96.96044	0.3
97.02956	0.7
99.00887	0.2
101.02458	1.0
107.05037	0.5
109.02951	2.3
113.02427	0.3
117.47787	0.2
121.02950	0.7
124.06620	0.2
125.02467	0.4
131.03519	0.3
133.02988	0.4
134.03735	2.0
135.04523	100.0
136.04836	3.2
137.02435	7.5
138.02768	0.2
139.04012	3.4
149.02477	0.3
149.04488	0.2
161.02426	0.8
162.64830	0.2
163.04039	0.2
165.01918	5.7
165.05565	0.2
166.06398	0.3
179.03502	0.4
181.08647	0.3
183.02971	2.2
191.05583	0.9
197.04759	0.2
227.12859	0.3
343.11618	0.3
363.23810	1.1
364.17130	0.2
493.21033	0.3
495.28198	2.2
496.28589	0.2
525.21411	0.4
551.82086	0.3
555.24756	3.5
556.24524	0.4
574.11243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
61.41690	1.0
61.98817	1.6
65.04820	0.8
69.03447	1.4
69.50877	5.1
69.51281	1.6
84.75668	0.9
89.02486	1.0
93.03437	3.3
105.03430	1.4
109.02937	1.9
119.05005	3.6
121.02959	7.5
121.08430	1.0
122.03764	9.7
123.00880	1.2
123.04490	3.9
125.02448	3.0
132.02164	2.7
133.02948	15.3
134.03737	2.9
135.04504	4.6
136.01585	1.4
137.02419	3.2
146.03763	1.2
147.04512	13.0
148.05241	2.3
149.02435	22.6
149.06059	4.4
150.03221	62.3
151.03906	2.0
158.03712	3.3
159.04527	4.8
160.05295	14.6
161.02432	18.7
161.06065	7.4
163.04013	6.0
164.04779	10.1
165.05560	49.0
169.01451	2.7
173.06079	4.6
174.06831	1.3
175.04071	1.3
175.07643	14.4
176.04752	6.2
177.05583	8.2
178.06459	4.6
178.07677	1.0
179.03447	1.7
180.04240	4.0
191.05589	3.0
191.07143	1.7
192.07877	2.3
193.08781	1.1
195.06602	24.1
241.73055	1.0
255.06572	1.1
270.08829	2.7
284.10315	1.1
285.11414	1.7
315.12369	2.6
329.13928	29.4
330.14230	1.3
410.71036	1.0
432.15759	1.7
447.18237	5.9
459.17868	2.2
477.19153	100.0
478.19409	10.3
489.19165	1.4
507.20282	3.7
525.21136	12.2
526.21631	2.3
555.13763	1.2
555.22125	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	555.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
61.98827	8.4
68.45490	1.1
69.03468	13.4
69.17460	0.9
69.58028	6.6
69.58396	2.1
71.01362	3.7
71.55679	1.0
80.96510	2.5
81.30326	1.0
85.02974	1.6
89.02444	2.0
92.66802	0.9
93.03442	4.2
94.98080	1.2
95.05015	3.6
97.02921	1.2
101.02458	1.7
106.04216	1.3
107.79011	1.0
113.02448	1.6
121.02972	7.8
121.06597	5.3
122.03736	12.3
123.00825	1.2
123.04515	1.8
124.01614	1.0
125.02434	2.8
133.02927	4.7
134.03735	1.1
135.04518	2.4
136.01659	2.2
137.02394	3.1
139.07616	3.4
147.04486	3.3
149.01300	1.4
149.02437	26.5
149.06145	1.0
150.03226	89.8
151.03696	4.4
153.09164	1.5
158.03714	1.4
159.04524	3.7
160.05312	7.0
161.02443	4.6
161.06067	3.6
163.03996	2.5
163.07632	1.4
164.04807	9.8
165.05565	100.0
166.06090	3.8
169.01347	2.5
173.06004	1.6
175.03873	1.2
175.07632	6.8
177.05521	3.9
178.06357	2.9
179.03493	1.6
179.07094	1.0
180.04274	5.7
181.05087	2.1
181.08705	2.8
183.06700	2.1
191.05533	2.5
195.06616	58.2
196.06973	2.0
209.04512	1.3
246.40706	1.0
293.26608	1.2
295.06094	1.7
297.11252	1.7
313.10825	1.8
314.11548	1.4
315.12433	2.2
325.10608	2.2
329.13922	26.5
330.14246	1.2
341.14087	1.6
343.11703	1.3
345.11893	4.5
371.15146	1.4
447.17899	2.1
477.19119	22.1
478.19995	2.2
489.19147	1.3
507.20181	18.3
508.20544	2.5
525.21338	8.3
555.20966	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	555.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49701	1.0
57.03471	1.2
59.01377	14.8
61.39308	0.8
69.31253	8.4
71.01376	10.0
71.73451	0.8
72.65105	0.9
73.02960	1.9
74.61874	0.8
77.65608	0.9
83.01423	0.9
85.02960	4.0
87.00890	2.7
89.02448	14.5
93.03461	0.8
95.01379	1.1
96.96008	3.8
101.02444	7.3
108.02180	1.0
109.02868	0.8
111.00866	1.0
113.02425	4.4
119.03507	6.5
121.02962	2.9
122.03739	3.6
133.02939	1.6
135.04471	4.0
137.02458	2.5
138.03238	2.1
143.03482	1.7
147.04478	7.0
148.05287	1.3
149.02425	11.3
149.04477	1.1
149.06033	1.8
151.03999	2.8
153.05478	1.2
161.02425	22.4
161.04533	2.1
162.02756	1.0
164.04791	18.1
165.01900	3.2
165.05481	2.6
166.06319	2.1
167.07120	32.4
168.07498	1.3
169.01427	1.2
172.02711	0.8
176.04778	17.7
177.01968	1.7
179.01872	1.6
179.03491	31.9
179.05574	8.8
179.07130	25.7
180.04070	1.9
191.05606	4.1
191.07143	10.3
192.04247	0.9
193.08745	1.4
194.05826	34.1
195.06494	2.1
209.08171	100.0
210.08481	4.2
328.11627	2.5
329.08743	1.7
329.12430	25.6
330.12695	1.1
348.20584	0.8
357.13464	3.4
383.13464	19.7
384.13776	2.0
410.63116	0.9
507.18610	4.8
519.18597	7.6
520.19116	1.3
523.98602	1.1
555.13458	1.1
555.21356	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2074
Annotation	Dracunculifoside P
Peak:m/z	Relative Intensity
52.05812	0.3
57.03448	0.4
59.01378	5.9
61.98829	9.1
68.42989	0.3
69.35931	2.5
71.01386	3.0
72.99285	0.3
73.02944	1.0
85.02959	0.9
89.02446	4.4
89.03972	0.5
91.05531	0.4
99.00889	1.2
101.02428	2.3
105.03471	0.7
105.85646	0.3
107.05019	1.4
109.02872	0.3
111.04311	0.3
113.02462	0.9
117.03474	1.5
119.03534	0.3
123.04542	0.5
125.02435	0.3
131.03499	1.3
132.02173	1.6
133.02957	36.3
134.03763	5.9
135.04524	62.8
136.04839	1.8
137.02484	0.7
149.02509	0.4
149.04602	0.4
149.06078	0.3
150.03232	0.8
161.02437	100.0
162.02774	2.9
165.05521	0.7
177.05443	0.5
179.03491	39.8
180.03850	0.7
191.05589	1.3
195.06703	0.5
203.03537	0.6
221.04445	0.4
225.05717	0.3
249.80241	0.3
257.24350	0.3
271.09827	0.6
293.06702	0.7
311.07605	0.5
353.08749	0.6
363.23755	0.5
393.21576	0.4
493.20740	5.5
555.20764	76.5
556.13293	0.2
556.21069	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	555.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58387	0.6
55.01876	0.7
59.01376	6.4
60.28732	0.6
61.98837	3.2
69.03455	4.6
69.87067	2.9
71.01377	1.7
79.01877	0.8
83.01373	1.7
85.02950	2.0
87.00873	0.7
89.02425	0.7
93.03439	1.6
95.01363	1.4
95.04985	0.8
96.96002	0.7
97.02941	2.8
98.20522	0.8
101.02441	1.3
107.01373	0.9
108.02196	0.8
109.02928	1.0
109.30946	0.6
113.02441	0.8
114.46882	0.6
119.03482	0.8
119.05022	0.9
121.02952	1.4
121.06589	1.5
123.00871	7.4
123.04489	0.6
124.01662	17.8
125.02446	53.9
126.02754	1.4
135.04485	0.7
136.49089	0.6
137.02438	2.6
137.09708	1.1
139.04033	1.1
149.02469	1.2
149.99582	28.1
151.00275	1.7
151.03967	1.1
161.02423	1.8
163.03928	0.6
163.07648	1.1
165.01686	0.6
165.05501	0.7
167.03455	2.1
168.00635	61.1
169.01405	9.5
170.00119	0.6
170.01692	1.0
170.77768	0.5
173.04523	0.8
179.03503	1.1
181.05069	1.2
181.08589	0.9
183.06622	1.0
191.04089	0.8
191.05586	4.9
192.06023	0.6
194.02104	0.6
196.07529	0.9
197.08121	0.6
197.11761	0.6
207.06691	0.8
209.04492	0.7
211.09723	1.1
223.09648	0.7
253.01550	0.8
269.06778	0.7
281.00613	0.7
313.05554	2.2
331.06677	2.2
343.11841	1.9
345.11884	1.4
357.13312	1.2
493.17178	3.1
495.14835	2.0
511.18314	2.1
525.21075	1.7
555.17090	100.0
556.17389	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.3
61.98822	0.5
64.56602	0.2
78.95901	18.9
85.38402	0.3
135.53767	0.3
152.99567	2.7
161.97258	0.2
168.04289	2.8
189.03983	0.3
206.27402	0.3
224.06917	8.4
231.97992	0.3
242.07982	1.7
255.23271	100.0
256.23615	6.0
480.30908	63.4
481.31284	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37565	1.0
59.01374	7.7
60.41670	0.9
61.98824	6.3
69.03447	7.4
71.01428	2.3
73.02945	1.4
81.03444	1.8
83.01373	2.0
85.02943	3.2
89.02489	1.4
93.03468	1.0
95.01385	1.5
95.04974	1.6
97.02917	2.9
101.02469	1.9
109.02962	1.3
112.18785	1.0
117.60842	0.9
121.06584	2.6
123.00896	8.5
124.01665	17.1
125.02444	53.3
135.04483	1.7
137.02388	3.2
137.09747	1.2
139.07542	1.1
139.72906	1.0
144.10703	1.0
149.02417	2.2
149.99577	26.4
151.00290	1.9
151.04013	1.4
153.09242	1.0
161.02443	2.3
163.03862	1.1
165.05544	1.3
166.06348	1.5
167.03435	1.6
168.00635	58.4
169.01462	8.9
170.01746	1.2
172.29884	1.0
181.08647	1.5
181.10338	0.8
183.06555	1.5
191.05586	8.9
192.05995	1.3
197.04556	1.4
223.15083	0.9
242.72124	1.2
253.01305	1.6
261.20056	1.0
313.05649	1.9
317.61444	1.0
331.06818	2.5
343.11725	2.1
345.11932	1.5
407.96176	0.9
433.60843	1.2
436.21640	0.9
493.17047	2.7
495.14920	1.6
507.20395	1.1
511.18063	1.4
525.21210	2.5
555.17065	100.0
556.17487	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	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98818	2.2
67.89669	0.4
69.25407	0.4
71.53136	0.8
75.81999	0.5
78.95434	1.1
78.95900	22.6
80.96507	1.1
85.02948	1.0
96.96958	0.8
115.57408	0.4
116.31157	0.4
152.99582	3.1
155.39404	0.5
168.04280	3.4
172.56094	0.4
191.05603	3.4
218.15579	0.5
224.06924	8.6
242.07997	2.2
246.67986	0.5
279.23267	100.0
280.23624	5.5
292.74503	0.5
415.15887	1.1
471.34610	3.2
472.28317	0.6
472.35147	12.3
473.35760	0.7
504.30923	67.6
505.31064	6.8
508.94116	0.5
513.58325	0.5
545.26990	1.3
554.26978	1.8
554.35352	7.0
555.35419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49148	0.3
56.05262	0.3
58.97357	0.3
59.01363	1.0
61.52332	0.3
61.98834	5.0
71.01385	0.3
71.09187	0.6
73.26448	0.3
78.95899	6.0
80.67571	0.3
80.96524	0.5
152.99518	0.8
168.04262	1.4
168.76439	0.3
224.06911	0.7
242.08028	3.0
279.23267	100.0
280.23618	4.8
333.52942	0.3
343.11209	0.3
362.58038	0.3
370.22748	0.3
504.30939	29.7
505.31186	2.3
554.27435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
69.03452	11.4
70.07471	2.3
70.07867	1.1
71.01375	2.0
71.05019	3.0
81.03445	1.0
97.06582	2.5
98.94505	0.9
111.04472	1.0
123.08121	2.3
125.09727	4.7
132.85054	1.0
149.09692	1.1
151.11264	7.6
153.12846	2.0
161.08524	0.9
161.09735	14.0
179.10774	45.2
180.11060	1.3
197.11821	99.5
198.12120	2.5
223.09666	6.9
234.21855	1.1
241.10823	17.6
242.11214	1.0
255.23271	100.0
256.23636	4.2
297.13443	10.7
315.14465	20.6
316.14844	1.0
405.27148	1.0
553.37427	88.3
554.37671	9.4
579.71307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42476	1.0
58.02970	6.9
59.01365	3.3
61.98819	4.1
69.03456	1.5
70.02952	1.1
71.01370	2.3
71.53244	0.9
71.53690	1.7
74.02473	18.1
80.69659	1.0
82.02979	3.5
83.01386	2.8
83.05004	1.0
84.00902	1.2
85.02956	4.0
86.02479	1.3
87.00888	1.2
87.05626	7.0
90.00185	1.4
93.03452	3.0
96.04539	8.0
96.96012	1.2
97.02852	1.0
97.04074	8.4
98.02470	3.7
99.05639	11.2
100.00393	2.2
101.02438	2.9
103.60340	1.0
108.02174	1.1
108.04547	7.8
109.02949	1.2
110.02505	2.9
112.04048	11.2
112.07688	8.2
113.03568	6.1
116.01783	1.3
122.06101	3.1
124.04008	7.2
125.03555	2.0
125.04816	4.3
126.04353	1.2
126.05635	2.1
127.04299	1.5
127.05135	9.0
128.58517	1.0
131.04649	1.6
137.02449	1.5
137.07207	3.7
138.05566	1.3
140.07176	15.6
142.03343	1.6
143.04655	3.5
151.58971	1.0
152.03514	4.6
153.06754	1.4
155.08263	24.4
160.00706	2.8
165.06691	16.6
166.05109	1.4
169.06149	1.5
171.04115	1.1
173.04587	1.0
177.03416	2.2
181.06155	1.3
183.07735	38.1
186.02367	1.6
191.05602	19.2
192.05931	1.7
197.05824	1.8
199.58919	1.0
215.06709	3.7
227.06725	93.4
228.07089	3.3
261.05484	100.0
262.05780	3.7
283.13437	1.9
432.96588	1.1
442.71442	1.2
532.16180	1.2
553.25647	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	553.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53698	0.5
54.88679	0.5
59.59043	0.6
64.21938	0.5
69.03446	0.9
69.65494	2.8
71.01418	0.6
81.03452	1.3
83.05029	1.7
85.02954	0.9
93.03461	8.1
98.19899	1.0
99.04508	0.8
109.02927	1.0
111.04526	8.7
113.02502	0.7
133.02983	0.8
135.04530	3.7
137.02463	2.0
143.03497	0.6
155.03511	4.2
161.02469	4.7
173.04547	2.3
179.03450	0.9
191.05629	4.4
199.04179	6.1
217.05237	6.8
287.05750	8.6
288.05695	0.6
316.06393	0.8
327.08963	7.1
351.32300	0.6
355.08459	1.7
372.09808	1.0
373.09442	37.9
373.36292	0.6
374.09775	1.9
391.10492	11.4
392.10690	0.8
553.13733	100.0
554.14038	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	553.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
59.02217	0.4
60.26970	0.4
63.70150	0.4
63.81688	0.5
66.95988	0.4
67.01882	0.4
69.03452	1.4
69.52309	2.5
69.52719	0.7
71.01381	0.7
71.36937	0.4
81.03443	1.1
83.05026	2.0
85.02948	1.0
87.00865	1.0
93.03452	7.4
97.02956	2.1
97.57124	0.4
98.19933	0.9
99.04477	0.9
109.02979	1.0
111.00797	0.5
111.04523	8.9
113.00501	0.6
113.02449	1.0
123.04484	0.5
133.02951	0.6
134.03728	0.8
135.04538	3.1
137.02412	2.1
137.04092	0.5
143.03520	0.9
147.04535	0.6
151.03969	0.5
155.03493	4.8
161.02441	5.3
165.05579	1.1
173.04556	2.0
177.01892	0.4
179.03485	1.4
191.05611	3.5
199.02354	0.6
199.04138	5.2
206.67369	0.5
209.08160	0.9
217.05235	6.6
241.05316	0.5
259.06247	0.5
287.05820	11.1
315.05341	0.6
316.06152	0.6
327.08948	6.4
328.09335	0.5
329.06882	0.6
355.08453	1.6
372.09680	0.5
373.09445	38.3
374.09753	2.1
391.10507	11.7
553.13727	100.0
554.14117	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	553.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.0
63.91010	1.3
69.03442	1.3
69.51578	8.5
71.01376	3.2
85.02967	3.1
89.02465	3.0
93.03452	3.8
93.73774	1.3
95.01350	1.5
96.95995	2.1
97.02988	1.4
98.20663	2.2
101.02423	1.8
113.02456	1.4
121.02955	2.1
122.03716	2.4
123.00865	2.7
123.04488	1.2
124.01682	1.6
125.02416	1.9
131.41708	1.1
134.03732	9.7
134.22874	1.1
135.04494	2.4
137.02417	4.6
145.02922	4.4
146.03741	16.3
149.06067	15.8
150.03226	6.9
151.04018	16.1
161.02399	3.3
161.04718	2.2
161.06067	10.3
162.01968	2.1
162.03221	29.4
163.04021	7.4
164.04799	12.8
165.05504	5.2
173.04631	1.3
177.05542	5.8
178.02699	3.7
179.03529	34.8
179.07123	93.5
180.04272	82.7
181.04999	12.0
191.05609	15.7
192.05902	2.4
193.04974	10.6
194.05814	9.5
195.06609	100.0
196.06917	3.1
205.05145	1.3
249.07683	10.2
251.31046	1.2
267.08539	2.3
343.11871	8.3
355.11804	4.1
357.11810	5.3
373.12988	7.3
391.14059	14.6
403.38245	1.3
504.11819	1.4
553.14569	8.3
554.15668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98824	2.1
75.82883	0.6
78.95905	24.5
90.96268	0.6
121.07290	0.7
134.51959	0.6
140.13708	0.7
152.99564	3.0
158.55389	0.8
168.04262	4.1
181.12338	1.0
191.05611	1.6
199.13429	1.8
224.06943	10.2
225.09401	0.7
225.11424	0.7
226.11514	0.8
237.39499	0.7
242.08034	3.1
243.12390	3.9
253.21767	4.4
277.21707	100.0
278.22058	5.0
467.84442	0.7
478.29337	1.8
502.29367	75.6
503.29721	7.8
552.32379	1.3
553.34033	1.8
568.00439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51600	2.1
59.01385	12.1
60.99298	12.8
65.12132	2.2
69.03457	37.2
69.34320	4.9
69.34731	14.0
70.03777	7.5
76.61314	2.6
85.02943	3.2
88.98270	4.5
88.98803	67.1
95.05006	8.2
96.05361	3.1
97.52650	2.1
107.01373	7.9
113.02497	2.5
121.02955	3.4
123.00869	2.5
125.02407	8.5
126.28223	2.5
133.02937	8.8
134.03331	2.8
135.04524	5.6
137.05141	2.4
139.00369	2.4
151.00356	8.9
161.02426	30.7
162.02692	11.0
163.00497	2.4
163.02925	5.6
165.05406	2.7
169.01407	10.3
178.99982	2.7
179.03513	3.8
243.02956	6.1
255.02905	20.1
271.02454	37.3
300.02750	73.5
301.03445	37.2
346.75208	2.4
380.36313	2.4
463.08820	100.0
464.09143	6.1
503.91699	2.9
509.15701	11.1
553.14899	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57598	0.4
59.01371	1.0
61.98836	1.6
65.25017	0.5
69.80040	2.5
78.95907	7.7
79.50089	0.5
88.33115	0.5
96.09129	0.4
152.99554	1.4
153.01938	0.5
168.04277	0.8
197.11824	1.6
198.12173	1.4
199.12289	0.6
224.06937	0.9
241.10805	1.8
242.07976	3.0
242.11180	2.1
243.11414	1.9
244.11571	0.6
277.21707	100.0
278.22040	6.0
312.56738	0.5
502.29410	34.7
503.29797	3.1
552.31085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98829	100.0
67.01921	0.4
69.03472	0.5
69.40038	2.5
70.13066	0.3
71.01406	0.9
71.05019	0.8
75.00878	0.6
78.95920	0.5
80.96526	0.4
85.02995	0.5
87.00891	0.4
88.98816	0.9
89.02451	0.9
93.03450	1.9
96.96011	1.2
96.96967	0.4
97.02929	0.7
101.02445	1.0
109.02950	0.4
111.04543	0.6
113.02456	0.4
119.05019	0.6
125.02451	0.6
127.09121	0.4
133.02965	1.9
134.03709	0.5
135.04524	16.1
136.01691	0.6
136.04851	0.7
137.02484	1.7
139.04019	4.1
140.04347	0.8
149.02489	0.6
150.03186	0.9
151.03987	0.8
161.02423	5.0
162.02951	0.7
163.04008	0.5
164.04788	1.2
165.05591	1.5
168.00706	0.4
169.01425	0.6
173.04614	1.1
177.01909	0.4
179.03548	1.3
179.07121	0.7
180.04338	0.6
183.02980	1.8
184.03328	0.7
191.05634	4.3
195.06645	1.1
196.07016	0.5
265.28143	0.4
300.02881	0.6
341.45718	0.4
349.19589	0.4
375.12885	0.3
390.16931	0.5
391.19888	0.9
392.07199	0.4
489.14291	1.3
505.18921	0.9
521.80054	0.4
552.26184	1.0
553.23584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36285	0.5
59.01380	1.4
61.98831	0.8
69.03454	0.7
78.95908	1.2
84.02133	0.5
97.02995	0.5
97.13897	0.5
109.06621	0.5
123.04534	0.5
125.09735	1.1
141.22400	0.5
151.11278	0.4
153.12854	1.4
163.11234	2.3
169.12335	1.2
181.05884	0.5
181.12337	14.8
182.12697	0.5
183.13908	0.5
185.11835	0.7
191.05605	0.8
191.14420	0.6
197.11800	3.1
199.13388	38.1
200.13748	1.3
207.10284	1.1
209.11795	1.5
225.11304	3.3
227.12901	0.6
243.12357	100.0
244.12668	3.5
245.19128	0.8
289.18161	2.9
307.19055	2.6
325.20071	1.3
533.31097	0.7
538.66229	0.5
551.32166	18.3
552.32581	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	552.063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98827	100.0
66.60403	0.3
69.26334	3.2
71.01372	0.5
81.19599	0.3
85.02984	0.5
89.02451	0.4
91.61678	0.3
93.03463	1.1
97.02982	0.4
101.02438	0.4
109.09238	0.3
111.04504	0.5
122.93654	0.3
131.46158	0.3
135.04546	1.9
136.04868	0.4
144.75670	0.3
161.02510	0.6
169.01373	0.6
173.04517	2.8
174.04768	0.4
179.03522	0.9
180.04294	0.7
181.04749	0.5
186.39876	0.3
191.05577	2.1
195.06651	1.1
196.06996	0.5
276.79919	0.3
327.01724	0.4
353.08813	1.2
354.09335	0.6
553.14148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78833	0.4
55.85300	0.4
57.03431	0.9
59.01371	1.1
65.58978	0.4
69.03487	0.4
69.33105	3.2
71.05031	2.2
81.03451	0.5
83.04989	0.5
93.03455	0.4
95.04978	0.7
97.02955	3.4
97.06593	1.7
99.00882	11.2
109.06580	1.1
110.03750	0.7
123.04543	0.6
123.08138	0.9
125.09704	4.6
135.08173	1.2
136.05333	0.6
137.09721	0.7
141.05469	0.7
142.02699	1.4
145.10173	0.7
149.06030	0.6
153.09196	1.4
153.12863	0.4
155.14395	0.8
161.09720	0.5
163.11299	6.1
171.10242	1.9
179.10788	0.7
181.12346	13.1
182.12714	0.6
185.11806	1.4
191.05615	0.4
191.14450	1.7
197.11877	1.2
199.13388	7.5
207.10249	26.7
208.10646	0.7
209.11790	1.8
225.11314	37.7
226.11653	1.2
237.30753	0.4
243.12363	100.0
244.12737	3.4
245.19075	3.5
289.18097	12.6
290.18521	0.5
307.15570	1.0
307.19128	16.8
308.19525	0.9
325.20175	4.4
533.31146	1.0
551.32239	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	551.2629
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
59.01376	100.0
61.98818	40.6
71.01376	24.6
71.52656	23.2
73.60316	19.8
74.22970	17.3
78.95897	17.1
85.02913	23.3
88.80763	16.4
93.03429	22.0
96.22372	16.7
99.90936	16.4
112.60149	17.6
122.75794	18.1
135.04506	16.4
191.05606	71.0
309.56039	18.6
551.26459	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89210	0.8
58.64687	0.6
59.01379	10.4
61.98816	2.9
69.75681	3.0
69.76093	1.5
71.01385	2.0
71.05032	1.7
75.49526	0.7
81.03447	1.0
83.05028	2.0
83.89829	0.6
84.02144	1.0
85.02934	1.4
93.03465	1.3
95.05019	1.0
97.02949	4.4
97.06577	1.9
98.20629	1.3
99.00872	7.9
109.06570	1.6
110.03741	1.2
118.32177	0.7
123.04500	0.7
123.08157	1.7
125.09712	6.6
126.60730	0.7
127.07651	3.7
128.45775	0.7
135.08168	1.2
136.90361	0.7
141.09169	1.2
142.02701	0.9
143.07106	0.9
163.11296	5.2
165.12865	1.4
171.10287	1.3
181.12349	13.2
183.13826	1.0
185.11810	6.4
191.05624	5.4
191.10736	1.1
191.14368	1.3
197.11830	5.6
199.13391	7.9
207.10240	27.5
209.11845	18.1
219.13867	0.8
225.11316	38.0
226.11649	0.8
227.12877	1.3
238.12068	1.3
243.12363	100.0
244.12624	3.5
245.19133	1.8
256.13217	0.9
261.77847	0.8
283.13327	1.3
289.18127	7.1
291.19638	0.9
307.19131	35.6
308.19415	1.7
325.20197	20.9
326.20377	1.1
345.20563	1.4
365.23294	1.9
371.22061	1.1
393.22464	0.8
407.24448	0.8
409.22195	1.0
425.25394	2.4
489.32224	1.5
491.34338	1.6
515.30408	0.8
533.30829	3.3
551.31696	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54767	1.4
57.03451	2.5
58.00591	1.8
59.01107	2.2
59.01379	25.6
61.98829	5.4
69.03462	5.5
71.01017	1.9
71.01394	18.0
71.05028	2.9
72.04989	1.3
72.99307	2.9
73.02944	6.8
81.03465	2.9
83.01387	5.0
85.02966	4.5
87.00874	7.4
89.02436	13.1
89.02890	1.3
89.03958	3.2
93.03455	3.1
95.01383	2.3
97.02950	3.2
97.06573	1.4
101.02444	14.2
107.05010	1.2
107.73993	1.3
108.02172	2.4
109.02006	1.2
109.02934	2.1
111.08121	1.4
112.60112	1.2
113.02471	7.4
117.03448	7.2
119.03587	2.6
119.05021	58.4
120.05380	1.5
125.02452	3.5
132.02180	1.7
134.03735	84.9
134.93088	1.3
135.04462	4.0
137.02457	4.9
139.04008	10.3
139.11301	2.4
143.03448	1.5
149.06075	5.8
152.01163	2.8
153.01984	1.8
160.01680	3.2
161.02461	3.8
161.04572	2.4
163.04007	49.2
164.04619	1.8
165.01910	10.4
165.12828	30.6
165.14146	2.1
166.13139	1.7
167.14493	1.6
175.04063	4.8
178.02719	3.7
179.05634	1.8
181.12349	1.8
182.16368	1.3
183.03012	5.4
183.10333	5.0
183.13885	96.3
184.14236	4.3
191.05644	4.4
193.05040	93.5
194.05420	2.7
197.15421	16.0
203.94455	1.5
207.13864	4.1
209.11819	9.9
225.11339	5.4
225.14911	10.1
227.12880	100.0
228.13193	3.7
243.12361	4.9
249.11276	1.4
251.12898	2.3
269.13876	12.9
299.14969	6.5
306.59833	1.3
327.14627	1.7
329.16031	38.2
329.19901	2.4
330.16364	1.6
341.11060	2.9
375.13037	2.8
387.16653	3.6
389.18185	66.4
390.18494	3.6
551.23267	44.4
551.32318	2.8
552.23914	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
59.01376	21.3
69.21265	16.4
69.21685	9.8
71.01379	17.8
72.99306	4.2
73.02906	2.6
76.90642	2.7
77.33305	2.3
78.04875	3.2
83.01395	4.1
85.02936	9.3
87.00882	7.3
89.02441	8.3
93.03471	5.3
95.01409	3.0
96.95985	2.8
97.46254	2.5
99.00849	3.4
101.02428	9.1
103.00343	3.9
113.02444	5.6
115.66669	3.1
117.47948	2.6
121.61542	2.6
133.02940	14.9
134.03636	3.0
135.04503	11.2
151.03996	5.1
161.02435	30.7
173.04581	3.3
177.05612	2.8
177.14003	3.2
179.03436	7.1
191.05638	20.7
191.07202	4.3
216.50674	2.8
234.08565	2.5
265.04956	3.0
270.05377	3.2
275.63995	3.2
299.09113	3.3
311.09232	9.4
313.10648	3.3
327.08640	4.5
341.10184	8.2
344.12589	8.4
356.12946	3.0
357.13541	3.6
359.14987	6.0
371.14938	7.1
447.09375	8.6
491.15469	9.8
503.15634	12.9
506.17862	7.6
518.17920	13.9
521.20270	100.0
522.20587	11.0
533.20410	94.4
534.20490	10.4
551.17749	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74241	0.7
57.03468	1.0
59.01380	9.3
61.98822	5.0
64.69194	0.6
69.03461	0.8
71.01384	4.4
71.53810	1.0
73.02952	3.9
74.08503	0.7
75.00879	0.9
80.96497	0.9
83.01381	5.0
85.02950	1.5
87.04512	0.8
88.98807	1.3
93.03465	2.6
95.01407	0.6
96.95978	0.7
101.02436	3.1
103.00365	1.1
108.02198	0.8
109.02934	1.0
111.00883	0.8
113.02471	1.1
115.92079	0.9
116.92089	0.7
117.91911	0.9
119.05023	100.0
120.05373	2.3
121.02946	0.9
123.00872	0.7
123.04482	1.0
125.02416	1.4
133.02979	1.8
135.04501	2.2
139.00359	0.6
139.04039	1.6
139.07535	0.6
139.11273	4.8
147.04572	1.1
150.03195	1.9
151.00380	0.9
151.11345	0.9
152.01210	1.1
153.01955	0.7
154.98036	0.7
155.98877	3.4
156.27180	0.8
159.36743	0.7
161.02484	1.6
163.04002	61.6
164.04753	7.0
165.05502	2.2
165.17560	0.7
166.02710	1.9
167.03557	1.6
169.01385	0.9
169.12320	1.4
171.01218	1.5
177.01993	1.4
179.03481	1.8
179.07126	7.3
179.10747	1.1
181.05081	2.2
181.12317	2.0
183.10255	7.3
191.05609	9.6
193.05005	0.7
194.05714	0.7
197.11771	1.2
199.13425	0.9
209.08240	1.3
216.27945	0.7
225.11310	7.7
227.11630	0.7
243.12360	6.7
249.11160	1.0
267.12296	1.6
285.13300	2.0
287.68832	0.7
291.12292	2.2
327.14545	2.8
346.39645	0.7
374.13742	1.5
387.16553	6.6
389.16064	9.2
390.16501	0.9
463.10455	1.2
515.17108	0.8
533.20123	1.0
551.21149	31.3
552.21759	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	551.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15575	0.8
57.73168	1.0
59.01373	6.7
67.01867	1.0
69.03442	2.5
71.01384	5.8
71.12328	0.9
71.53048	1.4
81.55610	0.8
85.02953	4.0
87.00831	1.1
89.02458	2.7
93.03470	4.1
95.05018	1.9
96.96000	2.6
101.02439	1.9
108.02158	1.4
109.02966	2.1
113.02455	2.0
115.22501	0.8
116.92850	2.7
119.03474	1.6
120.99637	2.3
121.02956	3.7
121.06606	1.4
122.03754	1.1
123.00930	1.0
123.04490	1.7
124.01663	1.1
125.02452	2.2
133.02914	2.1
135.04512	10.5
136.01637	5.0
137.02371	1.6
139.00446	1.0
142.06566	1.3
143.48491	1.0
145.02940	2.0
147.04491	1.7
151.00357	1.0
151.04022	6.6
159.04474	2.4
161.02428	3.1
161.04520	1.2
163.04002	5.4
165.01981	1.0
166.02716	4.5
167.03491	1.4
169.01369	1.9
169.07707	22.8
170.08029	1.0
173.02432	0.9
173.04558	1.3
174.03215	3.1
175.03999	15.2
176.04683	3.1
177.01877	1.0
177.05554	2.5
179.03459	4.5
180.04254	7.7
181.05048	5.6
184.03740	1.0
187.04019	1.5
188.04822	2.2
189.05563	10.8
190.06331	21.6
191.05563	29.0
191.07127	11.9
193.05034	8.5
194.05792	5.0
203.07118	2.6
205.08676	16.2
207.06558	5.0
208.07381	15.3
209.07880	1.1
222.09013	1.9
229.05116	1.4
239.06943	1.0
265.04868	2.1
265.13364	1.0
291.15005	2.1
296.06912	1.6
309.07553	1.9
311.09143	2.8
326.11597	2.8
327.08694	2.4
335.13962	2.8
341.10126	1.8
341.13928	2.9
344.12674	4.9
351.06787	1.0
351.42282	1.0
359.14984	100.0
360.15363	8.3
371.14859	2.2
389.10941	1.6
389.16046	23.7
390.16388	1.4
429.84726	0.9
431.50162	1.1
515.20166	9.6
516.20166	1.3
551.14880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.00586	5.9
58.77642	2.5
59.01374	100.0
61.98811	2.4
66.03811	2.4
67.01865	2.8
69.03450	4.3
69.68475	12.6
69.68891	5.9
71.01378	63.3
72.99305	3.8
85.02959	15.0
87.00884	11.3
87.69906	2.4
88.84605	2.7
89.02437	98.7
93.03449	18.5
95.01382	4.8
96.96005	9.0
97.02941	3.6
98.20536	5.5
101.02446	33.2
108.02139	7.0
109.02955	17.7
113.02437	30.4
113.93236	2.9
116.92884	3.6
119.03492	46.2
119.04955	4.5
121.02942	6.3
123.00908	3.3
123.04460	3.7
124.01653	6.6
125.02432	19.4
125.70334	2.4
131.03476	4.1
133.02937	18.5
134.03737	14.1
135.04518	34.7
136.01662	19.5
137.02434	6.4
138.03212	4.4
139.00327	4.8
139.04008	4.9
143.03485	6.8
149.04568	2.8
150.03160	4.3
151.00343	9.9
151.03979	23.4
152.01154	5.2
153.05563	3.6
159.04483	8.6
160.01645	6.0
161.02455	33.0
161.04555	4.9
161.06033	5.8
163.03925	4.5
166.02721	39.6
167.03543	3.7
169.01404	24.2
169.07695	9.6
173.04497	8.6
173.06027	5.3
174.06860	4.5
175.03987	17.5
176.04652	3.4
177.01860	5.4
177.05522	6.2
178.02542	2.7
179.03473	16.9
179.05621	15.6
181.05063	63.3
187.04022	7.3
189.05527	3.8
190.06288	4.4
191.05598	76.6
191.07066	3.8
193.05026	3.2
194.05789	7.3
205.00742	2.5
205.05119	5.6
209.08141	2.7
214.29401	2.7
219.06577	2.9
220.07347	6.3
235.09706	3.9
245.46269	3.3
265.04980	4.3
296.06848	9.6
309.07654	3.4
311.09219	18.2
326.11566	36.2
327.08575	6.4
327.12009	5.2
337.09357	3.2
341.13843	42.0
344.12579	4.0
351.07089	4.8
352.08011	3.4
359.10577	4.5
359.14960	75.0
360.15332	6.8
371.14951	41.5
374.13751	2.9
389.16025	94.7
390.16388	11.5
402.10339	2.7
436.04456	2.7
503.15765	4.5
515.19800	4.3
537.90155	2.8
551.16949	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	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.1
67.01893	1.2
69.73624	3.8
69.74033	1.9
71.01382	8.5
72.99302	1.2
73.02956	2.6
73.78996	1.0
80.54301	0.9
83.01394	1.0
85.02944	10.4
87.00870	4.6
89.02436	4.0
93.03467	9.4
95.01368	2.4
96.95982	0.9
97.02942	3.9
98.20586	1.7
101.02461	5.8
109.02937	1.2
109.95957	1.0
111.04509	1.8
113.02414	3.3
119.03461	2.4
119.96291	0.9
121.02949	2.0
123.04523	2.3
124.01688	1.1
125.02435	3.0
127.03988	2.5
128.08286	1.0
133.02925	1.5
135.04532	1.7
137.02425	1.8
139.00371	1.1
139.03967	1.5
141.74617	1.0
143.02417	0.9
147.04480	2.1
151.03995	2.2
153.05566	2.0
159.04530	9.7
161.02390	1.9
161.06059	2.8
162.03185	1.3
162.21303	0.8
162.58310	1.1
163.03957	3.5
165.05545	1.7
169.01399	4.1
170.01868	1.2
173.04535	3.1
173.05936	1.4
174.03136	1.9
174.05565	1.0
175.04012	8.1
176.04788	1.8
177.05647	1.2
179.03412	1.3
180.04288	4.7
185.06024	5.7
187.04019	5.4
188.04735	1.1
189.05508	3.0
190.06343	10.0
191.05598	100.0
191.07117	7.4
192.05962	3.3
193.05060	5.8
194.05775	3.0
195.06519	1.5
203.07175	2.4
205.08708	8.3
207.06586	3.1
208.07382	6.3
229.04987	3.5
237.05649	1.5
239.07062	5.6
255.06497	1.7
265.05032	11.4
265.08047	1.3
283.06042	4.6
283.09750	2.4
309.07697	6.0
326.07797	0.9
327.08600	10.4
329.10547	1.9
341.10101	2.6
345.13422	5.1
350.66666	0.9
356.12708	1.5
359.11258	4.3
359.15024	46.7
360.15106	4.5
363.51257	0.9
371.15079	1.6
374.13632	4.1
377.08493	1.5
389.11636	1.3
389.16119	16.4
394.03824	1.0
457.11255	4.9
513.38287	1.2
519.14868	2.2
539.43085	1.0
551.13110	1.9
551.21393	28.8
552.21552	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.2
62.72342	0.9
67.01891	1.6
69.03423	1.1
71.01392	7.6
71.53441	1.8
73.02975	1.2
85.02948	11.6
87.00877	4.9
89.02421	5.0
93.03459	6.9
95.01385	2.0
97.02947	3.9
98.80936	1.0
100.02113	0.9
101.02452	5.0
108.02175	2.2
109.02931	1.8
113.02489	2.1
119.03496	1.9
120.01260	0.9
121.02906	1.3
123.04547	2.2
125.02432	2.8
127.04025	2.3
133.02975	1.2
135.04498	1.9
137.02449	2.0
139.04022	1.4
147.04477	1.9
150.03224	1.2
153.05534	1.5
159.04527	9.7
161.02385	2.4
161.06018	2.7
162.03123	1.0
163.03944	3.0
165.05565	1.3
169.01375	3.5
173.04494	3.4
173.05949	1.6
174.03201	1.6
175.03973	5.5
178.02788	1.4
179.03690	1.3
180.04309	4.6
185.06161	4.7
187.04030	6.3
188.04707	1.5
189.05573	2.2
190.06328	8.9
191.05611	100.0
191.07101	5.3
192.05984	2.2
193.05070	3.0
194.05782	1.7
195.06630	1.4
199.67789	0.9
201.05696	1.1
203.03467	1.1
203.07150	2.0
205.08704	7.1
207.06587	3.3
208.07430	7.6
211.07716	1.2
221.06123	1.2
222.08971	1.6
223.09644	1.1
229.04990	3.3
237.05457	2.1
239.07100	5.2
250.06439	1.0
252.04324	1.2
252.95229	1.2
256.03830	1.0
265.05042	10.9
265.08075	1.4
283.06116	4.2
283.09644	2.6
309.07690	4.1
327.08694	8.9
341.10373	1.7
343.11969	1.4
344.12515	1.2
345.13293	5.7
359.11282	3.9
359.15021	44.3
360.15302	3.2
374.13681	3.7
377.08719	1.2
389.16080	13.8
457.11456	7.3
463.19452	1.2
503.14841	1.0
519.14771	1.5
551.21539	23.3
552.21777	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	551.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83090	1.8
59.01379	26.9
61.98843	2.2
69.03459	38.7
71.01385	11.1
71.53114	1.8
71.53493	2.0
79.68813	1.9
85.02948	11.2
87.00867	5.4
89.02455	12.5
93.03475	10.7
95.05033	14.5
96.95971	5.5
101.02421	9.1
109.02928	5.7
111.04429	2.1
113.02445	4.7
119.03487	2.2
120.99628	4.0
121.02972	8.2
121.06595	7.6
123.04515	4.8
124.01605	2.7
125.02433	5.2
125.54272	2.0
127.04008	2.9
133.02942	16.5
134.03719	3.0
134.10683	2.0
135.04520	25.2
136.01642	10.0
137.02444	4.7
139.00369	3.7
139.03993	2.0
145.02910	2.1
151.04018	12.7
152.01126	2.6
159.04478	3.3
161.02454	40.7
161.04547	2.1
161.05969	2.9
163.03998	5.8
165.05606	3.9
166.02699	8.0
169.01439	6.5
169.07721	66.9
170.08067	3.2
173.04478	4.8
174.03131	4.2
175.04013	14.5
176.04791	2.5
177.02153	2.2
177.05505	3.9
178.02716	2.1
179.03432	9.3
179.05569	2.4
180.04233	8.3
181.05055	14.6
183.06721	2.2
188.04672	2.7
189.05615	10.8
190.06325	13.7
191.05630	74.3
191.07166	11.5
193.05055	8.5
194.05746	2.9
195.06584	4.0
203.03522	4.8
203.07236	2.4
205.08749	12.4
207.06625	3.6
208.07375	11.5
223.09818	2.2
229.04935	3.7
239.07137	3.0
239.11951	2.9
265.05005	8.3
265.13449	2.6
276.44095	1.7
283.05930	2.4
283.09756	2.1
291.14966	7.8
295.77646	2.1
296.06778	3.6
309.07767	4.7
311.09171	3.0
322.51132	2.1
326.11575	4.2
327.08710	6.0
335.13995	7.5
336.14240	2.4
341.10190	4.4
341.14102	4.3
344.12552	5.1
351.07199	3.1
359.15012	100.0
360.15366	4.7
371.14902	3.1
389.10986	4.0
389.16019	40.8
399.12671	2.5
431.37372	2.3
457.11157	2.8
507.14987	9.8
515.20300	33.9
516.20538	3.1
551.13690	28.7
551.23157	3.2
552.14703	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95162	1.2
59.01377	25.8
66.80058	1.3
67.01896	2.4
69.03458	42.1
69.59061	1.4
71.01383	13.6
71.53156	1.5
72.99279	1.7
73.02934	3.3
75.00861	1.4
78.18205	1.2
81.03477	2.1
81.37343	1.0
83.01391	1.3
85.02953	9.9
87.00874	5.6
89.02447	13.7
93.03481	9.1
95.05016	12.7
97.02956	3.2
101.02441	9.7
106.04244	4.2
109.02931	2.4
111.00852	1.9
111.04493	3.0
113.02423	8.6
117.03458	5.4
119.03522	4.7
121.02943	4.0
121.06590	18.1
121.07413	1.5
123.04548	3.4
125.02520	1.6
127.03936	1.3
131.03484	3.3
134.03749	3.6
135.04527	100.0
136.04834	2.7
137.02438	13.6
139.00397	5.7
139.04047	1.5
139.07631	1.5
141.97556	1.1
143.03453	1.7
146.03902	1.1
147.04538	1.9
149.02467	2.3
155.03500	2.5
159.04512	1.6
161.02437	7.2
161.04553	3.9
165.05602	4.4
173.04535	10.4
175.03998	1.4
175.49397	1.2
179.03487	15.2
179.05640	5.6
183.06645	2.8
185.59036	1.3
191.05606	65.1
205.01398	5.7
209.04553	18.2
221.06689	4.5
239.07120	1.3
297.10074	1.3
315.08801	2.6
317.06644	1.5
321.30042	1.3
327.08823	1.9
335.07617	1.6
341.06662	6.7
353.08780	2.8
359.07535	6.2
371.09915	2.7
377.08762	16.8
507.17142	20.3
508.18002	1.8
515.14197	1.5
533.13190	9.8
551.15704	54.7
552.15192	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	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01373	2.5
67.01901	0.6
69.03448	1.4
69.50462	1.0
69.50871	1.8
71.01373	1.4
73.02968	0.5
81.03463	0.4
85.02942	9.5
87.00873	3.0
93.03445	5.4
95.01395	0.7
97.02945	2.0
104.18180	0.4
109.02940	1.3
111.04530	1.7
117.91996	0.3
119.05013	1.2
127.04000	2.1
135.04483	0.6
145.13795	0.4
151.04015	0.7
155.03481	0.4
159.04500	6.1
161.02438	1.0
163.04005	1.3
173.04613	2.0
173.05807	0.5
175.03973	0.7
179.03595	0.4
185.02460	0.8
185.06102	3.4
186.03188	1.3
187.03990	4.1
191.05600	100.0
192.05978	2.6
201.05557	0.9
203.03564	0.5
209.06009	0.6
211.03951	0.9
211.07527	0.7
229.05057	3.6
237.05513	2.6
239.07137	3.8
240.74547	0.4
250.06317	0.8
252.04315	1.0
255.06644	0.9
264.04245	0.5
265.05054	13.1
265.08344	0.8
266.05524	0.7
281.08191	0.7
283.06134	2.7
283.09592	1.1
309.04309	0.7
309.07666	11.1
310.08044	0.5
311.73077	0.4
327.08728	8.9
328.09262	0.4
341.10324	3.3
359.11288	3.9
377.08676	1.3
421.11081	0.5
457.11359	4.2
458.11856	0.5
475.50845	0.4
501.14023	1.4
519.15045	1.5
521.20203	1.4
533.19812	1.1
551.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1408
Annotation	6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside
Peak:m/z	Relative Intensity
59.01389	3.2
67.01897	2.2
69.03454	4.4
69.79274	1.5
69.79662	1.8
71.01382	3.0
80.33569	0.7
81.03470	1.1
85.02942	8.8
87.00849	3.8
89.02430	1.6
89.75735	0.6
93.03457	16.6
95.05026	1.5
101.02472	1.1
102.02107	0.7
107.05062	0.8
108.34844	0.7
109.02960	1.4
111.04523	3.1
113.02439	0.9
121.02964	1.7
121.06596	1.3
123.04513	1.2
127.04002	2.4
129.01997	0.8
133.02945	1.7
134.03760	2.4
135.01170	0.8
135.04527	42.0
136.04851	2.0
137.02438	13.4
147.04477	1.2
149.02458	1.5
155.03542	1.1
159.04533	0.9
161.02432	7.1
163.04123	1.1
166.92688	0.7
173.04579	7.7
175.04002	0.9
177.01915	2.5
179.03497	9.2
191.05606	100.0
192.05898	2.5
193.55830	0.7
209.04578	1.4
233.06599	4.4
265.05020	1.0
299.05527	2.8
315.08710	0.9
317.06689	0.8
327.08765	1.4
341.06528	1.2
353.08798	1.3
358.98883	1.8
359.07458	3.7
360.07977	0.9
371.09769	2.6
377.08572	3.1
457.11121	0.9
507.16666	1.8
515.11963	2.6
533.12976	19.6
534.13092	1.3
551.14056	48.2
552.14209	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	551.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17423	0.4
58.23671	0.4
59.01375	11.1
61.98822	0.4
67.01878	0.7
69.03449	18.1
69.37257	3.1
71.01371	2.7
73.02929	0.5
81.19745	0.3
83.01412	0.5
85.02953	1.2
87.00880	1.0
89.02430	3.6
93.03452	1.3
95.01384	0.8
95.05017	3.5
97.02938	0.6
101.02433	2.2
102.04891	0.4
105.03461	0.7
106.04228	1.0
111.00890	0.7
113.02445	3.9
117.03459	0.9
119.03501	1.2
119.04965	0.5
121.02953	2.7
121.06594	5.0
123.04518	1.4
125.02432	1.3
127.30573	0.4
132.02179	1.5
133.02950	28.5
134.03761	0.7
135.04515	16.3
136.04823	0.6
137.02457	0.6
139.00380	2.4
139.07629	0.9
149.06047	1.3
151.03975	0.6
160.01663	0.4
161.02426	100.0
162.02765	3.5
165.05550	2.4
169.01445	2.2
173.04482	0.5
177.01837	0.4
177.05531	2.9
179.03491	12.2
180.03781	0.4
183.06613	1.0
191.05586	3.7
194.05841	0.5
209.04509	1.6
215.05646	0.5
220.08765	0.4
221.04532	4.0
226.48785	0.4
251.05565	3.6
281.06631	5.3
323.07632	3.5
341.08658	4.4
345.11905	4.2
346.12177	0.5
371.14807	0.9
389.10910	8.8
390.11249	0.8
393.11752	1.9
407.52460	0.4
466.28726	0.5
489.14258	0.8
507.15012	17.1
508.15085	1.2
519.15204	0.5
533.13019	1.1
551.13995	25.3
552.14215	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	550.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.3
61.98830	100.0
69.88583	12.4
70.43968	2.7
89.92469	3.0
95.39657	2.5
97.02916	3.8
98.19942	2.7
99.00881	3.9
125.09718	4.4
152.99654	3.5
153.09314	2.8
163.11313	4.5
169.01402	2.6
181.12361	8.4
197.11893	5.0
199.13396	7.5
207.10272	24.0
225.11325	34.2
231.41597	3.1
241.10657	3.3
243.12343	79.2
288.69205	3.1
289.18057	11.2
307.19067	14.5
325.20117	5.9
356.59869	2.7
550.30634	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	551.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00403	0.9
59.01377	27.0
67.01888	1.3
69.03453	98.0
69.32964	6.2
70.03783	1.2
70.41473	0.7
70.92867	0.9
71.01374	2.7
85.02936	1.1
89.02460	2.7
89.94564	0.7
92.85577	0.8
95.04427	1.2
95.05024	22.2
96.95994	1.7
101.02444	1.5
101.11992	0.7
106.04271	0.8
109.02921	1.0
111.00861	1.4
111.08157	1.3
113.02448	7.5
119.03456	1.0
121.02950	5.0
121.06583	4.9
123.04534	3.6
132.02138	1.5
133.02954	30.6
135.04524	19.6
139.00330	7.1
139.03990	2.1
139.07631	4.1
158.54115	0.8
159.04462	1.2
161.02431	100.0
162.02760	3.4
165.05542	7.6
175.03976	1.4
177.05534	2.2
179.03473	11.6
183.06577	4.1
191.05615	7.9
203.03500	8.0
205.70715	0.8
209.04579	1.5
256.83276	0.8
265.04883	1.1
323.07718	6.1
327.08734	1.1
341.08755	1.2
345.12009	3.0
389.10852	5.9
393.11850	2.5
489.14456	0.9
507.15012	28.2
508.15140	1.9
533.13007	3.1
551.14038	86.9
552.14429	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	550.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98827	100.0
69.26004	1.6
85.02971	0.2
146.00757	0.2
150.80624	0.2
191.05635	0.4
328.10333	0.2
469.29803	0.2
478.95480	0.2
505.43738	0.2
576.37109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40997	3.7
56.29099	3.5
61.98830	100.0
69.97303	4.2
95.05075	4.4
98.20670	9.8
106.43534	4.3
107.58347	3.7
134.80704	4.2
184.59924	4.0
238.57410	4.4
243.12289	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	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58784	0.4
58.49355	0.4
59.01377	3.4
60.01694	0.7
61.98829	100.0
71.10596	0.8
86.07799	0.4
98.30947	0.5
176.51416	0.4
181.49004	0.4
197.11908	1.3
226.53772	0.5
287.44733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24356	0.8
52.03272	0.7
59.01364	3.3
64.59577	0.8
65.29551	0.8
69.03451	3.1
70.84932	1.9
71.05019	1.6
73.81470	0.7
80.02671	0.8
97.06577	1.0
98.19948	0.9
121.00648	0.7
121.02891	1.0
123.08124	1.3
125.09711	2.6
133.79222	0.7
148.75543	0.7
148.85378	0.7
151.11227	2.2
153.12822	1.7
161.09700	2.5
179.10783	6.4
185.11789	1.2
197.11821	58.1
198.12114	1.9
209.11780	1.1
223.09679	1.0
225.11433	0.7
241.10803	100.0
242.11195	4.6
245.18948	1.1
289.18045	2.6
307.18982	3.8
325.20105	1.8
412.97183	0.9
518.66589	0.9
526.07831	0.8
549.31012	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	550.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48936	0.4
59.01374	3.6
61.98828	100.0
71.01391	1.0
71.53447	0.4
77.60128	0.4
78.11906	0.4
78.95907	0.9
85.02958	1.4
85.29086	0.5
87.00876	0.5
89.02460	0.4
93.03466	0.6
101.02467	0.8
107.01410	0.4
113.02482	0.4
120.99597	0.6
125.02459	0.6
129.57396	0.3
133.03015	0.6
135.04520	1.9
151.00404	0.6
152.99646	0.8
169.01476	0.6
173.04657	0.5
177.01930	8.6
178.02254	4.0
178.99870	0.7
179.03517	1.0
191.05595	7.0
192.05937	0.6
196.72893	0.4
207.10277	0.5
257.97601	0.4
265.42996	0.5
283.13391	0.4
328.10699	1.1
367.35718	0.4
388.18317	1.0
408.46396	0.4
490.26431	0.5
550.20575	1.0
550.29755	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	549.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79360	0.8
57.03438	2.1
57.77758	0.7
59.01377	4.6
61.98819	2.4
64.22638	0.8
69.03423	1.5
71.01391	1.3
71.05015	4.1
73.33282	1.0
80.02675	1.7
81.03458	2.0
83.05017	9.3
93.69059	0.8
93.69638	0.8
94.27288	0.8
95.05003	2.8
97.02947	5.0
97.06603	4.6
99.00886	8.9
107.05035	8.5
109.06579	4.0
110.03709	1.3
113.06062	1.0
121.02946	2.8
121.06574	1.1
123.04552	1.8
123.08138	3.3
125.02440	1.1
125.06046	2.9
125.09720	12.7
135.04489	1.3
135.08150	5.5
136.05244	0.9
137.06047	1.1
153.09181	7.5
153.12817	1.2
161.06012	1.6
163.11275	11.6
165.12842	3.8
176.08449	2.0
177.09103	0.9
178.09969	2.9
179.07130	1.0
179.10728	2.0
181.12331	11.4
185.11778	4.2
188.70212	0.9
191.10759	1.5
197.11829	11.9
198.96823	0.8
199.13370	4.1
203.14468	1.1
207.10251	21.1
207.13484	0.9
209.11813	78.0
210.12083	3.3
211.13370	1.8
225.11305	26.1
236.10527	1.6
241.10728	3.1
243.12352	47.6
243.17545	1.8
244.12729	1.6
245.15454	1.1
261.18497	3.6
263.16364	1.2
265.14334	1.6
269.15359	1.2
277.18121	1.5
279.19632	2.3
287.16486	8.9
305.17572	100.0
306.17911	6.9
317.21350	1.1
323.18610	60.8
324.18942	3.8
333.16922	1.4
334.37524	0.8
361.20160	3.7
368.32495	1.0
379.21091	1.3
435.23724	4.2
451.04810	0.9
453.25021	1.9
487.30539	1.3
513.28632	4.4
531.29639	31.1
532.29919	3.0
549.30615	12.1
561.35791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.3
56.41724	0.6
57.03451	3.6
58.00597	2.5
59.01378	57.3
61.98829	3.2
68.99805	0.6
69.03455	2.4
70.93272	0.6
71.01381	78.1
71.53893	0.9
72.99300	4.0
73.02946	22.9
73.05147	0.5
75.00867	1.9
79.01931	0.7
79.63926	0.6
81.03456	1.3
83.01387	8.2
85.02946	29.4
87.00876	5.1
87.04513	2.8
89.02443	50.1
90.02828	0.9
93.03490	1.0
94.98759	0.6
95.01400	5.5
96.96010	3.1
97.02966	4.3
98.95591	1.7
99.00871	14.3
99.92567	0.9
101.02441	46.8
108.02155	1.0
109.02976	1.0
111.00887	2.4
111.04517	1.1
113.02451	21.8
115.04083	1.4
116.92838	1.1
119.03487	5.6
123.04565	0.8
125.02449	8.0
129.02010	0.6
131.03506	11.5
133.02963	2.2
135.04527	2.4
136.01636	4.4
137.02437	1.5
139.04007	1.1
143.03493	3.6
149.04561	14.6
151.00374	1.2
151.04012	4.5
152.01237	0.7
155.03543	1.6
159.02994	3.8
161.02496	4.5
161.04550	22.5
163.04056	0.8
166.02728	3.4
173.04562	0.8
179.03532	1.9
179.05634	2.3
179.07091	0.7
181.05052	3.0
182.06398	0.6
185.07251	0.6
191.05617	12.8
191.07172	1.1
233.06610	3.7
237.36494	0.7
251.07828	0.7
255.19736	2.3
281.09177	0.9
293.08859	2.1
333.12869	1.0
336.00977	0.6
341.08783	0.7
357.10300	2.2
372.12189	1.2
387.14432	9.8
399.23953	1.5
417.24924	47.3
418.25250	4.0
469.06006	0.7
549.29272	100.0
550.29669	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	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.3
56.41724	0.6
57.03451	3.6
58.00597	2.5
59.01378	57.3
61.98829	3.2
68.99805	0.6
69.03455	2.4
70.93272	0.6
71.01381	78.1
71.53893	0.9
72.99300	4.0
73.02946	22.9
73.05147	0.5
75.00867	1.9
79.01931	0.7
79.63926	0.6
81.03456	1.3
83.01387	8.2
85.02946	29.4
87.00876	5.1
87.04513	2.8
89.02443	50.1
90.02828	0.9
93.03490	1.0
94.98759	0.6
95.01400	5.5
96.96010	3.1
97.02966	4.3
98.95591	1.7
99.00871	14.3
99.92567	0.9
101.02441	46.8
108.02155	1.0
109.02976	1.0
111.00887	2.4
111.04517	1.1
113.02451	21.8
115.04083	1.4
116.92838	1.1
119.03487	5.6
123.04565	0.8
125.02449	8.0
129.02010	0.6
131.03506	11.5
133.02963	2.2
135.04527	2.4
136.01636	4.4
137.02437	1.5
139.04007	1.1
143.03493	3.6
149.04561	14.6
151.00374	1.2
151.04012	4.5
152.01237	0.7
155.03543	1.6
159.02994	3.8
161.02496	4.5
161.04550	22.5
163.04056	0.8
166.02728	3.4
173.04562	0.8
179.03532	1.9
179.05634	2.3
179.07091	0.7
181.05052	3.0
182.06398	0.6
185.07251	0.6
191.05617	12.8
191.07172	1.1
233.06610	3.7
237.36494	0.7
251.07828	0.7
255.19736	2.3
281.09177	0.9
293.08859	2.1
333.12869	1.0
336.00977	0.6
341.08783	0.7
357.10300	2.2
372.12189	1.2
387.14432	9.8
399.23953	1.5
417.24924	47.3
418.25250	4.0
469.06006	0.7
549.29272	100.0
550.29669	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	549.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.8
60.01702	0.9
61.98824	2.7
69.03445	2.3
69.47501	7.5
69.47834	1.8
71.01384	14.4
73.02921	2.6
75.11917	1.0
83.01379	2.1
84.95231	0.9
85.02966	6.2
87.00876	2.8
89.02443	13.0
92.37923	1.0
93.03451	3.9
95.01376	1.3
96.96033	4.9
97.02934	4.5
98.95591	2.2
99.00842	1.5
99.92625	1.1
101.02438	8.2
109.02917	2.2
111.04478	1.2
113.02467	4.9
115.92068	2.0
119.03508	5.5
119.04845	0.9
121.02959	5.4
122.03768	1.3
123.00890	4.5
123.04493	2.1
125.02459	9.2
131.03534	1.1
133.02960	3.8
134.03685	1.3
135.04553	8.3
136.01666	30.4
136.61815	1.0
137.02463	7.8
138.03168	1.1
143.03438	1.3
149.02397	1.6
149.04555	2.2
149.06067	3.0
151.00377	15.2
151.04010	43.8
152.04538	0.9
153.05534	1.7
159.23192	0.9
161.02438	10.4
161.04532	3.5
163.03996	1.9
166.02702	41.3
167.03233	2.1
169.01402	12.8
173.04521	1.9
175.03874	1.3
175.07593	1.2
177.01941	3.8
177.05562	3.7
179.03488	10.7
179.05440	1.3
181.05066	46.0
181.08556	1.3
182.05348	1.9
187.41815	1.0
191.03734	1.9
191.05594	20.4
191.07176	1.8
192.04306	2.1
192.05949	3.5
193.04799	1.4
193.06311	1.3
203.07130	1.8
221.04480	3.3
251.05545	4.3
269.60571	1.0
281.06680	7.2
285.03824	1.2
286.08362	1.0
303.49799	0.9
311.10147	1.1
329.10263	1.1
339.08939	1.3
341.08926	3.4
354.11087	1.3
357.09830	7.6
369.13553	5.4
372.12296	8.0
387.14478	100.0
388.14981	6.5
487.06583	1.6
549.17590	14.3
549.27222	1.9
549.29053	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	549.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.3
61.98824	1.9
69.03463	2.9
71.01379	18.2
71.53388	1.5
73.02943	2.7
83.01386	1.2
85.02948	6.7
87.00890	1.6
89.02444	16.3
93.03455	3.3
95.01383	1.5
96.96014	4.2
97.02936	2.8
98.95600	1.6
99.00916	2.2
101.02451	7.3
107.82321	1.0
109.02943	2.8
113.02470	6.4
115.92067	2.4
119.03483	4.2
119.76389	0.9
121.02917	4.3
122.03695	1.9
123.00873	2.6
125.02443	7.3
133.02933	4.2
134.03781	2.3
135.04514	12.0
136.01656	27.6
137.02467	5.7
149.04494	1.6
149.06065	3.4
151.00348	12.7
151.04001	38.2
159.04442	1.5
160.01631	1.1
160.05260	1.4
161.02437	12.3
161.04538	3.6
163.03989	1.4
166.02708	41.8
167.03363	1.0
169.01427	10.6
173.04530	2.7
175.03873	1.2
175.07523	1.0
177.01918	2.5
177.05531	4.3
179.03502	10.9
179.05579	2.6
181.05054	40.3
182.05450	2.0
189.09334	1.0
191.05591	21.1
191.07191	1.9
192.04219	2.4
192.05956	3.1
193.04871	1.3
193.06241	1.4
203.07123	2.3
207.06612	2.0
217.05074	1.1
221.04498	5.7
221.81277	1.1
239.07422	1.0
251.05576	5.6
251.97340	1.0
281.06619	10.5
286.65363	1.0
307.98859	1.0
313.03668	1.2
339.08704	1.1
341.08878	3.8
354.11227	1.4
357.02432	1.7
357.09796	8.1
369.13507	5.0
372.12158	7.5
373.12314	1.1
387.14459	100.0
388.14804	6.8
487.06982	2.0
501.03641	1.1
549.17664	11.6
549.28375	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84644	0.2
59.01382	1.4
61.98820	1.5
69.36475	1.8
69.41912	0.2
77.03955	1.9
78.95895	0.3
93.03467	0.5
96.12099	0.2
121.02954	100.0
122.03298	2.0
123.78091	0.2
129.01265	0.3
132.09433	0.2
137.02380	0.3
147.04503	0.3
165.01923	54.4
166.02249	1.7
167.96748	0.3
181.06595	2.6
197.06079	2.8
207.04541	1.1
223.03951	0.4
225.05547	1.9
256.08664	0.2
257.09723	0.7
301.08661	0.4
313.07144	1.7
357.06110	0.7
383.07736	0.5
417.09827	2.1
418.10144	0.4
464.82254	0.2
489.32111	0.3
505.11441	1.8
549.10358	26.3
550.10522	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	549.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	2.6
59.01382	40.6
69.03456	56.0
71.01374	24.8
71.10917	4.1
72.99304	2.2
85.02942	14.8
87.00874	65.2
89.02442	28.0
93.03448	9.2
95.01341	2.8
95.05034	18.6
97.02940	18.9
98.95576	2.2
99.00891	2.4
101.02438	13.7
101.02991	2.4
105.03431	2.4
113.02447	22.6
119.03487	10.2
119.04940	2.4
121.02930	7.5
121.06583	7.1
123.04492	7.8
129.07074	2.8
135.04456	3.1
137.02492	1.9
139.04001	17.8
147.04475	5.3
147.08134	7.6
149.06078	7.1
157.01408	7.9
167.07088	5.2
173.04572	4.6
175.07619	4.7
191.05592	57.8
191.07056	2.2
192.05765	2.5
193.04895	4.0
211.02483	3.2
211.06111	2.8
219.02957	4.0
219.06454	4.5
226.15506	2.0
232.11923	2.4
236.11609	2.0
281.10297	2.1
299.94534	2.4
364.08496	2.0
373.11340	48.7
374.11697	2.2
399.13046	2.2
443.11896	100.0
444.12082	7.8
461.12961	46.2
462.13486	3.0
469.13525	9.4
487.14731	18.9
531.13361	15.2
546.71075	2.2
549.15967	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98827	2.0
71.52581	1.2
77.26718	0.8
78.95891	1.6
91.67970	0.9
122.24156	0.9
129.44379	0.8
148.26161	0.8
179.10757	1.5
191.05487	2.0
197.11856	1.1
209.11826	1.0
221.11897	1.5
241.10759	2.2
289.18121	1.9
307.19077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
61.01812	0.7
61.98829	100.0
66.84680	0.6
71.45397	1.2
116.01417	0.9
120.63367	0.7
121.03008	1.0
144.67639	0.8
152.99640	1.7
158.85898	0.7
185.11736	0.9
191.05777	0.9
194.83586	0.7
197.11879	1.2
222.47552	0.8
222.55469	0.7
241.10828	1.3
329.40353	0.7
488.33673	4.2
549.30524	1.0
565.10840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01380	12.6
61.98825	4.6
69.03435	0.6
69.25043	4.7
69.25456	1.7
71.01392	3.8
72.99342	0.6
73.02953	1.2
74.98177	0.7
85.02947	1.5
88.42474	0.7
89.02435	5.2
93.03411	0.9
96.96025	1.0
101.02423	1.6
105.88168	0.7
109.02939	0.8
113.02433	1.2
115.92052	2.2
116.92859	4.1
119.03506	0.8
125.02399	1.1
131.03484	0.8
132.02187	2.5
133.02933	2.8
135.04500	2.5
149.04556	1.3
156.02148	2.3
160.01659	1.8
161.02425	7.4
162.02805	0.9
163.03970	0.7
163.39922	0.8
164.56381	0.6
172.01619	1.2
173.04559	1.3
179.03465	1.6
184.01648	3.8
191.05568	3.7
200.01086	4.2
208.71156	0.8
209.02499	1.9
212.01131	3.2
219.70804	0.7
228.00604	4.1
240.00609	10.8
244.94106	0.7
252.00784	0.7
254.99330	1.7
256.00089	3.5
267.99875	1.0
281.00922	2.3
282.98804	1.8
283.99579	9.7
285.00418	1.2
310.98370	0.9
311.99091	87.7
312.99686	15.2
324.99850	1.5
327.01434	100.0
328.01736	5.8
336.99820	3.5
357.09506	1.4
369.02377	1.0
372.12109	1.1
387.14517	3.1
410.30420	0.8
498.62836	0.8
549.18628	1.0
549.25677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97122	0.7
55.91122	0.7
59.01377	100.0
61.80936	0.6
61.98818	4.5
65.03963	0.7
65.76314	0.6
111.08131	1.3
153.09148	0.7
171.48151	0.7
191.05591	0.8
195.10269	0.8
197.11984	0.7
211.26848	0.6
221.11931	1.4
241.10626	0.7
245.19151	0.8
269.71478	0.8
289.18219	2.5
307.16040	0.6
307.19254	2.5
325.20197	1.0
431.57013	0.6
449.70108	0.7
487.34518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78729	5.7
59.01366	29.3
61.75682	6.4
61.98820	37.6
64.75024	6.3
66.72113	6.2
71.52301	8.9
78.95875	8.8
86.62513	6.3
87.47064	6.3
95.03662	8.4
177.94235	6.9
191.05600	14.9
210.65187	6.9
231.77951	7.1
240.99689	7.2
268.38931	8.1
487.34253	72.7
489.34546	12.6
547.29797	100.0
548.30255	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	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01697	0.7
69.03468	1.3
69.25925	3.0
72.84883	0.3
80.92554	0.3
87.12571	0.3
97.06625	0.5
98.22278	0.4
107.05061	0.5
109.88544	0.3
123.08181	0.5
125.09742	1.2
159.25519	0.4
159.26805	0.4
161.09770	1.3
165.51292	0.4
179.10774	3.2
197.11743	2.7
209.11835	3.8
241.10829	5.3
243.17262	0.4
253.82359	0.3
260.56500	0.3
305.17563	4.1
306.18304	0.4
323.18570	3.1
485.29153	0.4
487.34875	0.4
529.28180	1.4
547.29114	1.2
547.36633	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03425	2.2
58.00582	3.7
59.01377	90.1
61.98835	14.4
67.90833	1.9
68.99815	3.1
69.03439	7.1
69.37677	17.6
71.01380	81.8
72.44427	1.7
72.99293	4.4
73.02962	11.5
75.00856	3.1
78.95905	2.8
79.13459	2.0
81.03426	2.6
83.01377	5.8
85.02949	23.0
87.00872	10.2
87.29240	2.1
88.98798	3.6
89.02440	100.0
93.03468	14.8
95.01373	4.4
96.90092	2.2
96.96008	10.9
96.96964	2.6
97.02939	8.4
99.00859	12.4
101.02431	24.2
107.05025	5.1
109.02930	2.4
110.59133	1.7
111.00898	3.3
111.04528	4.5
113.02442	17.5
113.99560	16.2
115.00359	6.0
119.03477	6.5
119.04928	3.1
123.04552	2.3
123.36719	2.3
125.02444	36.6
127.00333	3.7
129.01913	4.3
131.03487	18.9
133.02975	17.5
134.03659	2.4
135.04509	16.7
139.04008	2.3
143.03484	6.3
144.28293	1.9
149.04553	26.6
157.01407	4.6
161.02454	34.0
161.04538	5.3
163.03967	21.3
165.12869	3.2
173.04527	6.2
174.01753	11.1
175.02438	2.7
177.01813	3.3
177.05579	2.3
178.06386	4.3
179.03575	9.8
183.13922	13.7
189.55936	2.2
191.05608	32.2
192.05951	2.2
193.08687	38.7
212.21455	2.3
221.04536	4.6
227.12808	6.0
233.06590	3.1
251.05560	8.6
277.05664	9.9
281.06754	11.0
285.96945	2.1
293.08755	28.5
320.14807	2.2
323.07849	2.0
337.07669	10.4
341.09055	3.3
449.14587	11.4
487.18384	10.0
547.20441	96.4
547.29010	6.9
548.20593	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	547.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
57.03435	4.7
59.01378	100.0
61.98830	35.0
67.01888	1.5
71.01381	53.6
72.99306	4.1
73.02952	15.2
78.95898	2.3
83.01395	8.6
85.02943	31.3
87.00875	4.5
89.02440	30.5
91.18933	1.2
93.03456	5.0
95.01389	3.3
98.19880	3.0
99.00889	7.4
101.02438	47.3
109.34480	1.6
111.00858	2.3
113.02447	23.7
119.03508	11.3
123.65840	1.3
125.02448	2.1
129.01991	1.7
131.03499	38.1
143.03485	4.5
149.04521	3.3
159.02953	2.0
161.02397	2.2
161.04538	15.8
173.04503	3.6
174.03261	1.2
179.03622	1.2
179.05574	8.7
191.05611	12.7
355.21243	93.5
356.21399	4.9
385.22232	3.1
487.25427	71.8
488.25748	6.0
547.21027	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58422	0.6
57.03435	0.5
58.00590	0.8
59.01375	19.7
60.99291	0.8
62.08707	0.6
67.01879	3.4
69.03451	15.1
69.27653	2.8
69.28078	2.7
70.03796	0.7
71.01377	10.6
72.99291	0.6
78.07686	0.6
83.05009	1.2
85.02945	8.9
87.00871	2.8
89.02428	11.1
93.03452	23.6
97.02943	23.3
101.02428	5.3
103.36613	0.6
105.03420	1.4
109.02917	1.6
111.04530	4.0
113.02432	6.9
119.03500	3.6
119.04975	0.7
121.02956	1.2
121.06587	0.9
123.04502	3.7
127.04000	2.2
135.01096	0.6
137.02419	2.4
141.01949	6.5
149.06081	6.3
155.03485	2.0
157.05054	2.6
160.04242	0.6
167.07120	0.7
173.04536	38.9
191.05594	71.1
192.05942	1.7
193.04999	7.3
208.14275	0.7
271.08304	0.7
315.07288	1.7
341.12448	0.7
367.10562	0.9
373.11188	5.3
385.11462	1.7
547.16644	100.0
548.17126	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98669	0.6
57.03448	0.6
57.54845	0.6
59.01376	8.2
60.99296	0.8
67.01892	1.1
69.03446	3.3
71.01379	5.0
78.10919	0.7
85.02956	8.1
87.00870	4.4
89.02441	6.0
93.03455	12.3
97.02946	8.0
101.02440	2.7
111.04517	2.1
113.02463	1.5
119.03478	2.0
123.04558	1.4
127.04009	2.5
138.50491	0.6
141.01936	2.8
149.06096	1.7
155.03558	0.7
173.04544	6.4
179.05507	1.5
191.05602	100.0
192.05911	2.8
193.05048	0.9
231.86650	0.6
289.26089	0.8
323.11105	0.8
547.16669	80.3
548.17316	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85654	0.8
55.01859	0.7
57.03439	1.2
58.00571	0.9
59.01379	19.1
67.01868	2.6
69.03456	16.5
69.36909	1.6
69.37321	4.5
70.17760	0.8
71.01379	11.9
73.89919	0.7
81.03432	1.0
85.02946	10.9
87.00866	2.9
89.02439	11.1
93.03454	23.8
95.01368	1.3
97.02355	1.3
97.02947	20.8
101.02436	6.1
105.03481	1.1
106.12031	0.7
106.96183	0.7
109.02912	1.2
111.00810	1.0
111.04483	4.7
113.02473	3.8
119.03487	5.0
121.06577	0.8
123.04530	3.5
127.03984	2.4
137.02426	2.7
141.01930	6.7
147.50272	0.7
149.06058	7.2
155.03477	2.1
157.05002	0.9
159.62630	0.9
167.07130	1.6
171.02988	1.0
173.04539	50.9
174.04869	1.0
191.05597	82.8
192.05916	2.1
193.05034	7.6
214.93896	0.7
355.10519	0.8
367.10245	3.2
373.11365	7.1
547.16644	100.0
548.16943	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	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.8
59.01376	21.8
64.58963	0.6
67.01880	1.3
69.03455	17.9
71.01006	1.2
71.01375	13.4
72.99314	1.0
74.87492	0.5
81.03440	1.3
83.04993	1.4
84.73385	0.6
85.02946	7.3
87.00870	3.3
89.02442	12.4
93.03459	14.9
95.01389	0.9
97.02946	27.1
98.03223	0.6
101.02441	6.5
105.03418	1.4
109.02977	1.0
111.04514	6.4
113.02447	4.5
119.03495	4.1
121.06578	0.7
123.04528	3.9
127.03986	2.2
129.01927	2.2
131.04985	0.8
136.42674	0.7
137.02464	0.6
141.01959	7.8
143.03532	0.6
149.02428	0.6
149.06061	6.6
155.03490	2.5
167.07094	0.8
173.04543	11.3
179.05597	1.4
191.05614	58.2
192.05894	1.9
193.05055	9.8
271.08179	1.7
289.33209	0.6
341.12384	0.9
373.11462	7.4
547.16650	100.0
548.17029	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	547.1586
Annotation	Pannellin 1-O-acetate
Peak:m/z	Relative Intensity
55.01884	1.2
55.89342	1.0
59.01375	15.8
67.01889	2.1
68.75502	1.2
69.03457	2.2
71.01381	22.5
71.54031	1.7
72.99316	2.6
73.02937	2.2
83.01395	5.5
85.02930	7.8
87.00877	40.5
88.98802	1.7
89.02458	2.4
93.03462	15.8
96.96015	8.0
97.02946	2.0
99.00885	1.9
101.02444	1.5
109.02953	5.3
110.69277	1.2
111.00882	7.1
111.04482	2.9
113.02435	2.8
115.00372	55.5
126.30411	1.1
127.00365	1.3
127.04012	2.8
129.01939	1.2
131.03409	1.1
135.04489	1.6
139.00359	17.2
148.31148	1.2
157.01411	28.0
159.04501	2.5
161.02417	1.2
173.04570	11.8
175.02472	100.0
179.03427	1.2
187.04015	6.3
191.05609	79.4
192.05876	1.9
193.04901	1.5
196.58900	1.2
219.06534	2.6
243.06566	4.4
245.04431	2.8
263.05594	3.7
274.99591	1.1
277.13004	1.3
280.08527	1.4
295.10870	7.7
303.07172	4.7
309.12152	1.7
325.11789	1.8
327.13522	4.1
339.09543	2.0
355.08096	3.9
369.10873	1.2
371.12445	9.5
373.09390	3.0
399.12018	1.3
401.13385	2.0
427.69302	1.4
429.13113	3.6
431.14337	1.9
435.11850	2.1
449.14197	1.6
467.14511	4.5
485.15793	9.2
487.13516	4.3
547.14392	17.4
547.27795	2.5
548.14856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01378	6.6
62.03306	0.2
67.01882	0.7
69.03454	5.2
71.01380	4.5
73.02923	0.7
73.14134	0.3
81.03444	0.5
83.05047	0.3
85.02951	10.0
85.03465	0.6
87.00867	2.6
88.98795	0.3
89.02441	3.6
93.03463	5.9
96.96014	2.1
97.02345	0.5
97.02947	8.2
99.04514	0.5
101.02433	1.6
105.03421	0.5
108.02214	0.3
109.02947	5.0
111.04515	1.9
113.02444	1.6
115.00343	1.2
119.03540	1.3
121.06607	0.3
123.04523	0.9
125.02464	0.4
127.04019	2.6
131.03470	0.3
132.74399	0.3
135.04529	0.4
137.02480	0.4
141.01929	3.1
149.04567	0.5
149.06064	2.4
155.03462	0.6
157.02890	0.5
159.04471	0.3
161.02475	0.6
161.04497	0.4
167.07121	0.6
171.03001	0.7
173.02473	0.3
173.04558	3.2
175.02483	3.2
179.05630	0.3
185.02374	1.5
187.03998	0.6
191.05602	100.0
192.05922	2.1
193.05014	3.7
201.01907	0.5
213.01913	1.1
213.84930	0.3
219.06592	0.6
245.04514	4.4
263.05640	0.7
302.38797	0.3
315.07068	0.3
323.05579	0.9
355.08203	7.0
356.08566	0.4
373.11481	5.6
374.12088	0.3
378.01263	0.3
433.21725	0.3
515.12006	0.4
547.16583	13.7
547.26129	0.5
548.16333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.3
57.07572	0.2
59.01109	0.4
59.01381	4.8
60.99307	0.3
61.98812	0.9
63.68596	0.2
67.01891	0.9
69.03434	0.6
69.78468	1.0
71.01384	4.1
73.02931	0.7
76.21854	0.2
81.03448	0.4
85.02945	7.7
87.00860	2.1
87.32199	0.2
88.98804	0.3
89.02443	4.9
93.03456	6.1
96.96009	4.4
97.02937	0.5
98.19915	0.3
98.95573	0.3
99.00890	0.3
101.02433	1.5
109.02963	0.8
111.04519	1.1
113.02442	0.7
117.03352	0.2
119.03490	0.3
125.02448	0.6
127.03997	1.9
131.03494	1.0
133.02939	0.7
135.04521	7.0
149.04536	1.9
153.01819	0.4
159.04471	0.2
160.69887	0.3
161.02452	3.0
161.04494	0.4
163.03941	0.6
169.01401	0.3
171.03012	0.5
173.04532	2.5
173.05917	0.4
174.53603	0.3
175.03934	0.3
178.06319	0.3
179.03508	1.7
191.05603	100.0
192.04489	0.3
192.05980	2.5
193.04918	0.3
204.08600	0.3
236.09529	0.3
257.08121	0.4
293.08725	0.6
293.51767	0.3
295.76196	0.2
297.11237	0.3
341.06720	0.3
353.08722	5.2
355.08087	0.4
373.09167	0.6
415.22998	0.4
449.14264	0.5
469.39804	0.3
515.15277	1.1
547.14478	7.7
547.27240	1.4
548.14630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38248	0.2
51.54683	0.2
52.48069	0.2
57.03439	0.2
59.01375	3.1
64.95142	0.2
67.01880	0.4
70.95886	0.6
71.01379	2.7
73.02961	0.2
74.58442	0.2
81.03460	0.7
83.01381	0.8
83.05029	0.5
85.02946	9.3
87.00877	4.6
89.02452	0.3
93.03458	5.8
96.96018	1.3
97.02975	0.2
99.00835	0.2
99.04547	0.4
99.05779	0.2
101.02460	0.2
108.02157	0.2
109.02945	4.6
111.00854	0.9
111.04501	1.2
113.02438	0.5
115.00374	5.7
125.02477	0.4
127.04013	2.1
128.31674	0.3
135.04517	0.7
137.02498	0.5
139.00397	1.4
145.02950	1.0
146.03731	0.3
155.03453	0.3
157.01445	2.9
157.08679	0.9
158.03767	0.3
159.04521	0.6
161.02432	3.4
169.02965	0.4
171.03017	0.5
173.02415	0.4
173.04524	2.8
175.02467	9.1
175.03853	0.4
185.02475	0.5
186.03181	0.4
187.04013	3.6
191.05603	100.0
192.05977	2.2
193.05005	0.3
213.01895	1.0
219.06595	1.3
239.03703	0.2
240.04294	0.9
243.06549	0.3
245.04485	2.2
246.87166	0.2
253.05048	0.6
255.06476	0.4
263.05612	0.8
279.06696	0.2
281.04514	1.4
295.10928	0.5
314.51926	0.2
323.05484	2.2
327.13327	0.3
339.09750	0.3
355.08197	7.1
356.08627	0.4
371.12384	1.1
373.09277	0.8
373.97702	0.3
401.14078	0.3
417.99698	0.2
429.12958	0.7
467.14520	0.6
485.15720	0.9
515.12183	1.2
547.14575	8.4
548.14990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
58.50235	0.2
59.01375	3.2
65.52139	0.2
67.01887	0.4
69.03448	1.2
69.17548	2.7
71.01382	2.6
73.02934	0.5
75.25775	0.2
81.03454	0.4
83.01380	0.4
85.02948	10.1
87.00876	2.0
89.02438	1.6
93.03457	3.9
93.48522	0.2
95.01424	0.3
96.96002	2.9
97.02951	1.6
99.00903	0.3
99.04518	0.6
100.75522	0.3
101.02433	1.1
109.02237	0.4
109.02951	4.0
111.04536	1.2
113.02486	0.7
119.03530	0.4
123.04595	0.3
127.04008	2.6
133.02930	0.4
135.02992	0.5
135.04536	0.8
137.02505	0.3
141.01915	0.4
145.02945	0.6
146.03734	0.2
149.06071	0.2
155.03421	0.4
159.04674	0.3
159.09264	0.6
161.02415	3.2
169.02936	0.3
171.02997	0.7
173.04521	1.5
185.02412	0.6
186.03181	0.4
187.04015	2.2
191.05611	100.0
192.05931	2.4
193.05103	0.7
213.01920	1.2
219.06596	0.7
239.03426	0.3
240.04337	0.7
245.04544	3.2
253.04926	0.4
263.05609	0.7
279.06738	0.3
281.04602	1.2
323.05524	2.3
353.08795	0.4
355.08185	7.0
356.08582	0.5
361.85928	0.3
373.09448	0.7
464.25403	0.3
487.64011	0.3
515.11932	2.2
547.14648	6.4
547.27814	0.4
548.15302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94299	0.2
57.03447	0.6
58.00594	0.3
59.01377	2.4
60.99308	1.2
61.98820	0.7
65.03949	0.3
67.01886	5.0
69.03458	1.4
71.01379	3.0
71.72695	0.2
73.02926	0.6
77.03970	0.2
78.95898	4.8
79.95721	0.4
80.41560	0.2
80.96516	0.6
81.03445	1.3
83.05012	1.0
85.02944	6.7
87.00871	6.6
89.02460	0.4
93.03452	32.7
94.03781	0.4
94.98050	0.3
95.05001	0.2
96.96003	4.1
96.96958	8.0
99.00881	0.7
99.04510	0.6
101.02432	0.8
105.03463	1.2
109.02946	1.6
111.00878	0.3
111.04507	4.1
113.02420	0.7
115.04126	0.2
116.92826	0.3
121.02981	0.2
122.03726	0.2
125.02381	0.4
127.04028	1.6
129.01970	0.5
132.02139	0.8
133.02945	7.2
134.03745	1.7
135.04521	6.1
137.02475	1.3
139.03935	0.2
143.03436	0.5
150.03218	0.4
151.03979	0.3
153.01967	0.3
155.03474	0.9
160.01677	2.3
161.02431	5.4
163.04016	0.9
164.04750	0.3
171.02985	0.3
173.04530	15.1
174.04895	0.3
177.01918	3.0
178.02692	2.2
178.06326	0.7
179.03481	2.2
191.05597	100.0
192.05930	2.1
193.08665	0.9
199.72679	0.2
215.05577	1.7
307.08151	0.4
308.09140	0.3
351.07214	3.8
353.10266	6.8
353.13968	0.5
354.10626	0.4
366.09564	0.8
367.10287	0.7
371.11127	1.1
377.85687	0.2
397.62076	0.2
451.88461	0.2
514.63037	0.2
545.16553	4.3
545.25336	0.2
546.16705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98823	1.5
64.33355	0.7
71.01385	0.7
78.95914	0.8
87.17413	0.6
89.16289	0.7
91.20197	0.7
112.18880	0.7
165.64999	0.7
181.52945	0.6
191.05618	3.6
328.10641	1.7
545.34583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3483
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
57.03453	1.5
59.01379	67.0
60.01710	0.8
60.56902	0.5
71.01383	1.1
73.02943	3.3
80.35363	0.5
85.02982	0.6
85.05524	0.6
89.10849	0.4
93.03465	0.6
96.96085	0.6
98.20651	1.3
100.24633	0.4
101.02424	1.0
102.96550	0.5
191.05573	2.9
229.46507	0.7
253.09337	0.6
309.20703	1.2
355.24869	0.7
357.25690	0.5
373.28674	0.8
375.27078	0.6
439.32150	6.2
440.32913	0.6
474.05505	0.5
485.32712	100.0
486.33011	9.7
509.29587	1.9
545.34766	0.7
573.79340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	0.9
68.74757	0.6
69.79026	3.1
85.02955	6.6
87.00887	1.5
90.05158	0.6
90.14075	0.6
91.30959	0.7
93.03453	1.5
111.04514	1.1
119.02895	0.6
127.04036	1.1
161.02327	0.8
173.04515	1.1
173.57997	0.7
191.05600	100.0
192.05942	2.5
353.08780	9.8
354.08795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
67.01839	0.6
71.01379	0.6
71.52245	0.6
85.02957	6.5
87.00883	1.6
93.03443	3.1
99.00893	0.6
111.04474	0.8
127.04017	1.9
134.90961	0.5
135.04503	1.1
161.02443	1.4
173.04544	1.5
179.03481	1.0
191.05591	100.0
192.05910	2.4
228.24658	0.6
353.08780	11.2
488.70813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01376	11.8
60.45341	0.3
60.99312	1.2
61.98831	3.1
65.05824	0.3
67.01881	2.3
69.03463	0.9
71.01369	3.1
73.02957	0.7
80.96539	0.8
81.03467	0.9
83.05032	0.7
85.02948	10.4
87.00864	4.4
89.02461	1.3
89.03992	0.3
90.82542	0.3
91.49838	0.3
92.33868	0.3
93.02868	0.8
93.03457	15.2
94.98064	0.5
95.86536	0.3
96.96016	2.6
99.00923	0.5
99.04540	0.7
101.02451	0.9
105.03450	1.1
108.02126	1.6
109.02942	1.6
111.04514	2.7
113.02447	0.7
119.03477	0.4
122.95720	0.3
124.01709	0.4
125.02444	0.4
127.03979	2.0
132.02155	0.5
133.02954	7.0
133.03909	0.5
134.03722	0.7
135.04529	4.6
137.02461	0.8
143.03546	0.5
150.03241	0.3
151.00385	0.3
151.03964	0.4
152.01135	1.4
153.01932	0.7
155.03459	0.8
158.07239	0.3
160.01668	1.8
161.02441	5.4
161.04503	0.6
163.11092	0.3
164.04810	0.5
171.02992	0.7
173.04533	6.4
177.01917	22.9
178.02458	0.4
179.03476	1.2
179.05661	0.4
179.07121	0.6
185.61420	0.3
186.06769	0.4
191.05600	100.0
192.05965	2.8
199.04065	0.3
201.05724	0.4
209.11835	1.0
215.05507	0.4
220.47311	0.3
256.07336	0.4
283.13293	0.6
301.14890	0.3
308.09073	0.6
308.94031	0.5
309.20624	0.3
315.06964	0.5
339.07205	1.0
351.07053	1.2
352.07687	0.4
353.10153	3.9
353.13974	2.8
353.19336	0.5
366.09552	1.0
367.10202	0.7
371.11035	0.6
415.16260	0.7
485.23151	0.4
501.17682	0.8
504.20709	0.7
520.22382	1.5
520.72369	0.4
544.54724	0.3
545.16467	12.3
546.16528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.0
70.27217	3.3
71.47339	1.1
85.02932	7.3
87.00885	1.1
91.03747	0.9
93.03461	2.2
111.04502	1.2
115.65801	1.0
127.04019	2.3
161.02428	2.4
191.05603	100.0
192.05925	3.1
353.08749	9.5
354.09091	1.8
574.96692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.3
61.19475	0.3
61.98816	1.2
67.01909	2.2
69.03454	9.3
69.40701	3.0
71.01378	3.6
72.27341	0.4
73.02915	0.8
79.95737	0.5
80.96510	0.8
81.03458	1.0
82.96067	0.5
83.05018	1.5
85.02952	7.5
86.80663	0.4
87.00871	4.1
89.02455	0.9
93.03456	16.3
95.01385	0.8
95.05012	2.7
96.96010	8.5
98.20628	0.6
99.00858	0.6
99.04507	0.8
101.02437	1.4
105.03437	2.0
107.05032	1.2
109.02944	4.6
111.04520	2.6
111.08164	6.6
113.02453	1.2
116.52349	0.4
119.03481	0.4
121.02955	2.2
121.06570	1.7
123.00890	1.0
123.04522	1.3
124.01674	1.1
125.02448	0.9
127.04008	1.7
129.09207	0.5
131.03375	0.4
132.02110	0.7
133.02950	21.1
134.03743	3.9
135.04520	18.6
136.04881	0.5
137.02466	3.6
139.00453	0.7
139.04005	0.9
149.02455	0.9
149.04710	0.5
149.06052	0.6
150.03177	1.3
151.03973	1.2
151.27486	0.4
153.01971	0.7
153.09232	0.7
155.03558	1.1
155.67470	0.4
161.02428	11.2
161.04477	0.7
162.02794	0.5
165.05571	1.0
171.02969	0.6
173.04541	10.9
173.08162	8.3
177.01910	7.8
177.05536	1.6
178.02637	0.9
179.03470	6.1
183.06563	0.7
187.09781	0.7
191.05602	100.0
192.05905	2.8
193.05038	34.6
194.05431	1.3
197.08237	2.9
209.04535	1.2
215.05595	13.0
215.09120	0.9
245.10374	0.4
255.20996	0.4
275.11349	1.3
301.03528	0.4
307.08173	1.9
351.02847	0.9
351.07208	19.0
352.07465	1.2
353.08960	6.5
353.13641	0.7
361.28320	0.4
371.07672	0.6
379.51859	0.4
447.09311	0.7
485.31348	0.9
501.19727	6.1
502.19687	0.5
510.10074	0.4
527.18640	0.8
545.13007	16.6
545.19354	4.6
546.13446	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98834	0.4
70.86150	0.3
71.01374	0.5
79.95724	2.7
85.02929	0.6
89.02447	0.4
89.20515	0.3
93.03416	0.4
96.96008	100.0
97.96004	0.5
98.19883	0.9
107.01395	0.7
109.02935	0.6
112.32487	0.3
121.02914	0.6
123.00951	0.3
125.02459	1.8
127.81855	0.3
133.02928	0.6
135.04492	0.9
151.00398	1.5
161.02466	0.6
163.00383	0.3
169.01370	1.7
173.04561	0.4
178.99809	0.6
183.56879	0.3
191.05597	3.7
193.05070	1.0
211.03983	0.4
221.40958	0.3
243.02965	0.9
245.04495	0.6
255.02988	2.5
271.02454	4.9
277.31097	0.3
278.02222	0.3
284.03299	0.9
300.02728	9.8
301.03442	7.5
302.03873	0.7
327.46039	0.4
351.07303	0.5
388.70020	0.3
447.09280	17.9
448.09760	1.0
469.05371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98834	0.4
70.86150	0.3
71.01374	0.5
79.95724	2.7
85.02929	0.6
89.02447	0.4
89.20515	0.3
93.03416	0.4
96.96008	100.0
97.96004	0.5
98.19883	0.9
107.01395	0.7
109.02935	0.6
112.32487	0.3
121.02914	0.6
123.00951	0.3
125.02459	1.8
127.81855	0.3
133.02928	0.6
135.04492	0.9
151.00398	1.5
161.02466	0.6
163.00383	0.3
169.01370	1.7
173.04561	0.4
178.99809	0.6
183.56879	0.3
191.05597	3.7
193.05070	1.0
211.03983	0.4
221.40958	0.3
243.02965	0.9
245.04495	0.6
255.02988	2.5
271.02454	4.9
277.31097	0.3
278.02222	0.3
284.03299	0.9
300.02728	9.8
301.03442	7.5
302.03873	0.7
327.46039	0.4
351.07303	0.5
388.70020	0.3
447.09280	17.9
448.09760	1.0
469.05371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.6
61.30293	1.8
61.98829	89.3
67.01883	2.3
71.01369	7.6
71.54333	2.8
78.95487	3.5
78.95908	49.5
79.95743	4.7
80.96533	4.1
81.39014	1.9
83.01376	2.3
85.02946	8.6
87.00869	8.4
89.02436	2.4
93.03458	28.9
94.98073	8.5
96.96000	100.0
96.96955	68.4
101.02414	2.8
108.91891	2.2
109.02972	2.2
111.04514	4.6
125.02382	3.8
127.03916	2.1
134.03696	2.5
135.04568	4.7
151.00406	4.5
161.02428	8.4
169.01405	3.7
170.01820	2.8
171.01762	2.0
173.04555	17.0
178.02596	3.0
178.99844	7.6
179.03447	5.0
180.00165	2.1
191.03981	3.7
191.05606	51.2
192.05977	2.4
209.93820	1.9
265.35815	1.9
353.13870	6.0
449.14517	18.9
481.17200	15.2
482.17786	2.4
544.14673	3.2
545.21863	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	544.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
61.98829	100.0
66.63080	2.4
71.52700	3.4
73.30566	2.3
105.11031	2.6
113.01363	2.1
150.85942	2.2
270.31577	2.8
418.51978	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	544.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.9
59.01377	14.4
60.17879	1.4
61.98828	100.0
67.01888	4.6
69.25501	13.0
71.01370	6.8
72.99305	1.9
78.95896	20.6
79.95730	3.2
80.96507	5.0
85.02950	7.3
87.00878	9.9
89.02440	5.9
90.90831	1.6
93.03454	38.0
94.98043	2.2
96.96011	37.1
96.96942	27.3
99.00898	1.6
101.02402	4.1
109.02987	2.4
111.04517	5.4
113.02434	3.2
133.02942	4.0
134.03729	2.6
135.04507	5.2
137.02434	2.6
137.37152	1.7
151.00285	1.9
161.02441	4.2
164.06216	1.4
169.01402	2.4
173.03172	1.8
173.04570	18.8
177.01913	2.8
178.02654	3.8
178.99876	3.8
179.03476	2.5
180.00168	1.7
191.05597	57.1
192.05884	1.9
241.73627	1.5
255.06450	1.9
283.13239	1.8
309.15100	2.0
335.87479	1.6
353.13785	4.6
371.15472	2.1
449.14606	11.0
481.17029	15.9
513.13751	5.8
545.18317	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	544.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.3
61.98830	100.0
63.71582	2.0
67.01878	4.0
69.23992	16.6
71.01376	7.4
76.67649	2.2
78.95918	2.1
78.98590	2.8
79.95736	3.6
80.96518	23.1
85.02946	7.3
87.00864	8.7
89.02445	2.7
93.03457	32.1
94.98073	6.7
96.95998	12.0
96.96983	1.9
98.19805	3.0
98.25345	2.2
101.02422	2.8
103.43073	1.8
105.03441	2.0
106.23565	1.9
109.02930	3.3
111.04494	3.9
113.02418	2.2
119.03500	1.9
119.54126	2.1
122.97494	1.9
123.32915	1.9
125.02418	3.7
133.02921	8.7
134.03738	5.6
135.04530	11.4
135.05397	1.7
147.22057	2.3
148.99109	3.4
152.98579	3.4
161.02428	10.0
162.02719	3.1
164.98605	2.9
169.01372	2.3
173.04584	16.8
177.01918	2.9
179.03436	4.5
191.05603	56.1
193.04993	7.0
211.13211	2.5
215.05609	3.6
225.00681	2.9
226.01114	2.2
293.90158	2.1
294.85312	2.4
329.11163	5.2
344.04990	2.7
351.07202	3.8
353.08508	2.6
353.14218	2.7
361.01242	2.0
427.50430	2.8
449.14301	3.2
475.95172	2.7
481.16940	17.1
544.21478	39.5
545.13116	4.7
545.21680	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	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98820	2.7
71.01378	8.6
73.02941	1.7
79.47049	0.5
83.01398	0.8
85.02942	3.4
85.81508	0.5
87.00925	1.1
89.02450	4.0
93.03474	3.2
96.95995	1.0
99.00873	0.7
101.02437	5.7
109.02950	0.5
110.11198	0.4
113.02445	3.9
119.03511	1.6
125.02441	1.1
128.03566	1.0
135.04486	0.5
143.03482	1.1
158.03787	0.8
159.02937	0.8
161.04565	6.3
168.00616	0.9
173.04736	0.9
179.05557	0.9
186.03218	1.0
191.05612	4.7
207.10201	0.7
209.12025	0.7
214.02704	3.6
216.99063	0.5
225.11273	0.7
230.32352	0.7
241.01413	4.5
242.02213	7.4
243.02852	0.7
245.00830	4.6
270.01675	9.9
271.02417	2.4
289.18146	1.6
298.01141	5.8
299.01917	2.3
307.18964	1.2
396.08392	6.0
397.09207	2.2
461.58530	0.7
483.29575	8.4
484.30417	0.8
543.15009	21.9
543.30695	1.6
544.15424	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76028	1.4
53.96391	1.3
57.03445	2.3
59.01376	50.1
60.77564	1.5
61.98827	9.1
67.01896	1.8
67.56952	1.5
68.51832	1.7
69.03455	100.0
69.23896	15.5
69.78623	1.3
71.01385	19.2
72.99305	1.7
73.02942	7.8
78.95898	3.1
78.98603	1.9
79.95721	2.8
80.96519	23.3
81.03435	1.7
83.01381	4.1
85.02955	6.8
87.00881	2.5
89.02432	11.5
92.70277	1.6
93.03467	2.7
93.07072	1.8
94.98090	4.9
95.05026	27.9
96.95994	2.9
97.02927	2.5
99.00925	1.7
101.02412	10.8
106.04225	3.6
109.06587	12.5
111.00847	2.5
111.08152	3.0
113.02466	8.6
119.03475	3.3
121.02956	12.4
121.06596	34.2
122.97589	1.7
123.04516	7.4
125.02403	4.8
127.07651	58.0
134.97574	2.7
135.04446	1.7
139.00356	11.4
139.07657	4.4
141.09213	10.1
145.08708	7.1
151.00308	2.2
151.07607	6.2
152.98550	1.7
152.99635	1.7
161.02394	2.1
164.98669	3.8
165.05560	13.8
165.12836	2.8
169.01343	3.1
169.08688	3.3
169.74997	1.9
169.86017	1.7
171.06607	31.6
172.06807	1.5
175.02417	1.8
177.05522	3.5
183.06673	8.5
183.13831	7.3
191.05603	6.3
195.06618	3.7
209.04576	8.8
213.07634	5.2
219.06583	1.8
225.00706	7.9
227.12878	4.5
243.08737	2.2
273.07022	1.7
273.09628	9.3
333.11911	3.7
345.11841	16.9
375.20935	1.6
389.11078	2.0
481.16949	3.0
499.18173	39.6
500.18372	5.1
525.15845	5.5
543.17389	64.3
544.17218	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	543.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.9
59.01376	7.6
60.47928	0.5
60.99323	1.0
61.98829	9.5
63.02397	7.7
65.00319	7.1
67.01926	0.8
68.99840	0.7
69.03451	3.2
70.54424	1.5
71.01381	3.8
73.02969	0.8
78.95937	1.0
80.96545	2.1
83.01383	7.7
83.05061	0.5
85.02965	2.3
87.00893	0.8
88.98811	4.3
89.02451	5.6
93.03485	2.2
94.98109	1.3
95.01437	0.9
95.05029	1.0
96.96038	1.2
96.96967	0.9
97.02938	0.8
99.00885	1.0
99.08143	4.5
99.08636	0.4
99.82500	0.5
101.02464	2.4
107.01394	15.3
109.02978	1.5
111.00905	1.2
113.02471	1.0
119.03481	0.9
121.02956	2.1
123.00916	0.8
124.01672	3.3
125.02442	13.2
131.03535	0.9
133.02991	0.7
135.04558	0.8
135.84831	0.5
137.02469	1.7
141.18347	0.5
145.08705	14.9
146.09059	0.5
147.04530	0.5
149.04549	1.6
149.32024	0.5
151.00363	63.5
152.01160	9.8
153.01968	4.9
159.04558	0.9
161.02470	2.0
161.04652	0.5
161.06006	0.6
163.00395	0.7
163.03923	0.6
168.00667	0.6
169.01427	6.0
171.10300	2.0
172.05177	0.6
173.04526	1.7
173.06075	2.7
177.01932	2.2
178.99852	100.0
180.00157	2.9
181.01385	1.4
182.03763	0.8
187.04044	1.5
187.07625	1.7
189.05605	2.5
189.09198	0.6
190.02756	1.0
191.05586	5.0
197.06096	0.9
198.03198	0.5
199.07626	2.2
200.04799	3.2
201.05501	0.9
202.06415	0.9
205.12332	1.1
215.07121	19.3
216.07683	1.0
217.08617	3.9
225.00529	0.8
225.05560	1.5
227.07101	1.7
232.03757	1.0
241.05125	0.7
242.05812	1.5
243.06577	2.2
249.11224	1.5
253.05000	3.2
254.05745	1.3
255.02840	1.0
265.08630	0.8
267.06543	0.7
271.02432	2.2
271.06042	7.9
272.06366	0.9
277.04999	0.6
281.08038	0.8
293.04636	0.5
293.08231	1.4
299.01978	0.9
299.81503	0.5
300.02646	3.7
311.01868	0.7
322.04749	1.1
325.07126	1.4
333.07544	1.1
334.08121	0.7
336.06366	0.8
350.04248	0.7
351.08466	0.9
353.06555	5.5
369.09549	0.9
371.13110	1.7
378.07227	1.7
379.08246	4.9
397.09213	21.0
398.09418	1.6
413.01828	0.6
415.12253	1.6
417.12024	0.8
507.22571	0.8
543.14673	46.8
543.21185	5.1
544.15033	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1508
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
57.02781	0.6
57.03465	3.0
59.01374	10.5
59.01651	0.8
60.99321	0.8
61.95276	0.6
61.98829	13.2
61.99113	0.8
63.02398	7.6
65.00322	7.9
65.00636	0.7
69.03460	3.4
69.17730	7.4
71.01377	5.3
73.02960	1.1
76.48543	0.6
78.95943	1.3
80.96548	2.5
83.01378	8.1
85.02975	2.4
85.26746	0.7
85.63411	0.7
87.00880	1.2
88.98809	4.0
89.02441	5.7
93.03484	1.9
94.98108	0.9
95.01429	0.8
95.05029	1.6
96.96009	1.7
96.96980	0.9
97.02953	0.8
99.00933	0.9
99.08153	5.7
101.02461	3.3
107.01395	16.7
109.02989	1.7
113.02465	2.0
119.03503	1.6
121.02976	3.4
121.06551	1.3
123.00959	0.8
124.01652	3.6
125.02448	11.9
133.02953	1.6
135.04495	1.5
137.02455	1.8
145.08705	22.6
147.08159	0.9
149.04584	1.4
151.00368	59.0
152.01178	9.4
153.01941	4.7
159.04477	1.1
161.02402	3.6
165.05492	0.8
168.00540	0.8
169.01440	4.3
171.10300	1.0
173.04645	1.5
173.06079	3.2
177.01909	2.0
178.99852	100.0
180.00201	3.1
181.01387	1.2
187.07625	1.8
188.04733	0.9
189.01898	0.9
189.05579	3.9
190.02614	1.2
191.05589	6.0
191.07162	1.3
193.01358	0.9
196.41640	0.7
199.07574	2.0
200.04765	3.8
201.05579	1.1
205.12303	1.8
206.44037	0.6
215.07123	19.4
216.07500	1.4
217.08675	4.2
219.06432	0.8
225.05533	1.4
227.07063	1.9
232.03595	1.2
242.05852	1.1
243.06546	2.5
248.34293	0.7
249.11279	1.7
253.05032	3.6
254.05664	1.2
271.02496	2.8
271.06046	8.0
293.04526	0.9
293.08395	1.1
295.05365	0.7
296.03113	0.8
300.02859	4.1
307.05835	0.7
309.07617	0.8
311.01828	1.1
311.09235	1.1
322.04697	1.3
323.09201	0.8
325.06943	1.0
335.09073	0.8
336.06229	1.0
351.08646	1.2
353.06659	6.2
369.09372	1.2
371.13672	1.7
379.08145	5.4
397.09222	17.6
398.09320	2.0
415.12070	1.2
453.17114	1.7
501.88440	0.7
507.21506	1.0
543.14587	44.1
543.20984	4.6
544.15070	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	542.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98829	100.0
65.00326	0.7
69.32628	3.1
71.01386	1.2
75.36797	0.5
76.87566	0.5
79.95730	0.5
83.01393	0.9
85.02961	0.8
89.02436	0.7
96.96039	1.7
101.02438	1.0
107.01411	1.7
109.03004	0.5
113.02477	0.5
119.03544	0.4
124.01648	0.7
125.02453	1.4
133.02963	0.6
135.04544	1.6
151.00348	6.5
152.01173	3.3
153.01909	0.6
161.02475	1.0
166.05045	0.6
169.01468	1.9
171.10312	0.9
178.99857	9.5
179.03429	0.4
191.05600	4.8
197.01917	0.5
205.08658	0.5
215.07199	2.3
217.08710	0.9
243.10951	0.5
267.06616	0.5
271.06134	0.7
333.07825	0.8
353.06802	1.7
361.07181	1.6
378.07550	0.6
379.08224	2.2
397.09491	1.8
543.14667	5.6
543.29041	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	542.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
59.39737	0.4
61.98829	100.0
64.94296	0.3
71.01410	0.4
98.20642	1.0
130.69572	0.4
191.05705	0.9
299.99155	0.5
403.83188	0.4
456.69168	0.4
482.30127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50590	0.7
57.17745	0.8
61.98830	100.0
76.34173	0.7
90.66421	0.8
111.43787	0.8
112.20498	0.9
147.62885	0.8
182.58463	0.7
201.42065	0.8
412.01984	1.1
424.78207	0.8
427.04703	2.2
442.07181	1.8
455.04254	2.3
470.06689	1.9
485.09161	1.4
543.13007	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	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.19864	0.2
59.01374	0.7
60.57159	0.2
60.57467	0.2
61.98828	0.7
69.03445	0.2
69.28841	1.1
69.29270	0.7
71.01373	0.4
71.05017	10.5
72.05338	0.3
76.89304	0.2
77.18637	0.2
78.95927	0.2
83.01390	3.5
89.02436	0.2
93.03409	0.2
93.08488	0.2
93.09137	0.2
95.05022	2.4
96.96017	0.4
97.02948	12.6
98.03302	0.3
111.04524	0.4
125.02485	0.3
135.04543	0.3
137.02419	0.4
139.04010	100.0
140.04329	2.5
148.92821	0.2
151.32271	0.2
153.05556	0.5
161.04547	0.2
163.03993	2.7
163.82782	0.2
165.00479	0.2
165.01936	0.7
168.00632	0.2
181.05063	1.0
183.02966	2.4
191.05627	0.3
191.90558	0.2
193.04977	0.3
207.02893	1.0
213.14941	3.1
259.06430	0.2
283.08481	0.2
399.65195	0.2
541.22900	11.0
542.23157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37780	0.8
59.01371	2.6
61.98823	2.5
63.16046	0.6
67.01900	0.8
69.03455	4.8
70.44790	2.3
71.01384	1.1
72.33622	0.6
81.03475	1.1
93.03452	1.1
95.01400	1.1
96.95977	0.8
97.02947	8.8
101.02483	1.1
111.00874	0.8
111.36721	0.6
119.03575	0.7
123.00869	1.7
123.04530	1.9
123.08163	1.2
124.01665	4.3
125.02443	100.0
126.02764	1.7
133.02959	1.0
135.04518	1.1
137.02438	1.0
137.64258	0.7
141.09206	6.8
151.00383	0.7
161.02441	2.9
165.09166	0.8
165.12790	1.5
168.00648	5.8
169.01418	98.4
170.01755	2.5
183.13940	4.7
185.08203	3.9
191.05562	0.9
193.05084	0.9
193.56349	0.7
209.08199	0.8
211.02481	0.8
213.65172	0.8
225.53761	0.6
227.12848	3.4
235.68309	0.6
251.12761	1.3
287.07767	3.5
293.14017	4.5
331.06760	8.4
371.16965	2.2
373.11261	1.7
451.26456	0.7
465.26218	0.7
479.19302	1.3
497.20255	20.1
498.20535	1.5
541.19232	36.4
542.19391	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	541.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.4
61.98812	1.9
71.01375	2.7
71.54021	1.1
73.02942	1.8
81.03466	0.7
83.01376	1.4
85.02947	2.4
89.02380	0.9
93.03440	0.9
95.01392	2.1
99.00874	0.9
101.02470	1.8
108.02175	52.4
109.02959	38.2
113.02419	1.3
121.02938	1.0
123.00876	2.3
123.04517	1.5
125.02402	2.5
133.02945	1.5
135.04530	2.4
137.02438	1.1
139.11287	5.9
147.70036	0.6
151.04028	1.1
152.01149	57.3
153.01942	19.7
161.02438	1.5
163.03938	0.8
165.01862	0.8
167.07127	1.4
169.01372	1.8
179.03499	1.8
181.12320	1.9
183.10226	7.3
191.05666	1.5
191.65218	0.6
225.11340	3.1
225.29977	0.7
243.12350	1.3
269.46146	0.9
297.11224	1.1
453.21591	0.8
479.19089	2.7
481.17093	4.7
497.20282	6.2
503.25589	0.8
523.18103	1.9
541.19208	100.0
542.19611	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	541.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.8
67.01885	3.1
69.03445	38.3
69.39064	17.0
71.01378	13.9
73.02920	2.2
79.01888	3.0
83.44843	2.1
85.02943	5.5
88.98787	3.0
89.02444	6.9
93.03448	3.8
95.01353	3.6
95.05036	6.9
96.96008	7.8
97.02890	2.4
98.19904	4.1
101.02429	8.2
107.01385	6.9
109.02924	3.0
111.00874	6.6
113.02422	9.3
119.03528	2.8
121.02941	5.5
121.06593	8.2
123.00885	15.0
123.04494	3.5
125.02436	37.4
133.02962	3.7
135.04498	7.0
139.00398	12.9
140.01122	4.4
149.02425	4.9
150.03255	12.5
151.00403	10.3
151.03604	5.1
161.02408	7.8
165.01959	2.8
165.05557	15.1
166.05928	8.9
167.06165	2.4
167.16039	2.0
168.00629	9.9
169.00003	4.3
169.01421	68.1
179.03450	6.6
183.06671	2.0
191.05624	13.3
195.06606	4.9
196.06897	3.3
197.07207	2.8
211.02493	28.5
241.03795	2.6
252.71608	2.1
256.95410	2.0
259.14304	2.0
271.04568	46.1
271.07486	2.3
313.05676	20.4
331.06772	12.7
345.11856	6.5
374.56485	2.4
379.16061	5.9
383.09808	28.8
389.10910	4.7
467.93884	2.2
479.11893	7.1
492.19611	7.3
493.19827	14.1
497.12955	56.5
498.13184	4.6
523.11047	13.4
541.11926	100.0
541.19385	9.0
541.28510	4.2
542.12244	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	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.53129	0.7
78.95921	2.2
117.64224	0.7
143.85104	0.7
152.99632	0.9
191.99979	0.6
227.27530	0.7
248.18704	0.7
255.23291	11.4
255.25836	0.7
259.17877	0.8
277.21829	0.8
480.30917	7.0
549.77728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	35.5
67.01876	4.6
69.03454	100.0
70.03793	2.3
71.01376	9.9
71.09596	2.7
72.99316	2.4
73.02934	3.0
81.74930	1.4
83.01385	3.2
85.02962	6.5
87.00874	2.2
89.02451	11.0
93.03455	5.6
93.52744	1.2
95.01380	4.2
95.05027	21.8
96.95982	6.9
97.02939	6.8
101.02439	8.2
107.01370	6.3
109.02942	3.2
111.00871	6.2
113.02441	11.0
121.02979	10.6
121.06590	4.1
123.00887	9.6
123.04495	5.0
125.02445	33.5
129.01926	1.2
133.02936	2.0
135.04552	7.2
136.98969	1.7
137.02478	9.0
138.03125	2.9
139.00362	25.5
139.04008	3.3
139.07654	4.7
140.01129	2.4
144.82549	1.4
145.02988	1.5
146.03709	5.3
149.02434	4.9
150.03218	13.8
151.00339	8.9
151.04031	10.3
153.05571	4.8
161.02419	2.9
161.06021	1.8
163.04027	2.1
164.04729	3.7
165.05566	24.7
165.62509	1.7
168.00571	7.4
169.01414	53.2
170.01747	2.1
173.04521	1.7
177.01866	1.7
179.03496	9.2
179.05649	2.8
179.07150	4.7
180.04018	3.8
181.05055	34.8
182.05859	12.1
183.06612	33.2
191.05591	27.7
192.05721	1.8
194.05771	1.6
195.06619	12.0
209.04509	4.3
211.02406	5.0
237.07623	5.2
300.99872	2.9
313.05673	25.3
313.09076	2.4
331.06647	10.8
331.11813	2.9
343.11893	10.9
344.11069	1.6
345.11823	1.8
361.12891	1.8
373.61176	1.6
383.09744	18.6
384.10162	1.6
389.10938	2.8
426.01230	1.4
493.17245	6.6
497.12878	29.9
498.13190	2.8
505.15451	7.2
523.10852	20.4
523.18048	2.3
541.11938	97.5
542.12415	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	540.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
59.01371	1.6
61.98828	100.0
69.03452	1.8
70.03776	0.3
70.54807	0.6
70.55138	0.4
71.01373	0.8
71.05025	1.5
71.59262	0.3
72.99305	0.4
75.00896	0.3
78.95900	0.4
85.02985	0.3
86.87012	0.3
88.04680	0.3
88.98838	0.3
89.02445	0.4
91.99495	0.3
93.03461	0.8
95.05037	1.5
97.02946	7.3
98.03319	0.4
98.19704	0.3
101.02485	0.4
104.79961	0.3
107.01360	0.4
111.04521	0.4
119.03490	0.4
119.05022	3.5
120.05399	1.4
121.02951	2.1
122.03304	0.5
123.00916	0.4
123.04575	0.4
124.01665	0.5
125.02471	1.3
127.07625	0.5
135.04604	0.3
137.02466	1.0
139.04010	21.7
149.06107	0.3
155.03503	0.6
163.04010	0.5
165.01927	8.7
165.03271	0.5
165.05650	0.4
167.07411	0.4
168.00687	0.8
169.01447	1.2
183.03011	1.7
183.10263	0.7
184.10573	0.3
191.05684	0.8
193.05133	0.8
194.05542	0.5
197.11792	0.5
207.03047	0.6
213.14990	0.3
225.11296	1.0
384.87656	0.4
387.09134	0.3
440.28781	0.3
466.51572	0.3
540.22186	1.0
541.17242	2.6
541.24341	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	539.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61214	2.2
57.90779	2.3
58.64143	2.3
59.01374	3.1
61.98818	16.0
69.36460	18.0
70.32150	2.5
71.01421	2.4
74.16844	2.1
78.01409	2.0
78.29966	2.0
78.95882	2.2
84.35583	2.7
93.72620	2.2
98.19906	4.0
113.99699	3.2
143.10728	2.5
154.89876	2.8
162.56422	2.3
191.05611	6.6
346.40573	2.8
455.40860	2.6
503.33783	100.0
504.34375	11.4
539.31415	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	539.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01773	0.4
51.48206	0.4
54.67496	0.3
57.03427	0.4
59.01375	17.1
61.98827	0.4
67.94695	0.3
69.17312	1.7
69.17738	2.0
76.36134	0.3
78.95917	0.5
81.03421	0.6
85.02936	0.4
97.06568	0.4
98.20720	0.7
123.04534	0.4
125.09719	1.5
127.11275	1.6
142.83920	0.4
151.11244	2.7
152.99557	0.8
153.09164	1.0
163.11307	0.9
165.23637	0.3
166.49738	0.3
169.12334	27.9
170.12660	1.2
171.10260	79.5
172.10597	2.2
185.11845	1.4
191.05682	2.0
191.14447	1.1
192.05945	0.5
197.11871	0.9
207.10249	0.8
209.11823	1.6
213.11281	7.6
225.11256	0.5
231.12350	100.0
232.12720	4.3
245.19043	2.0
259.09177	0.4
289.18097	9.3
290.12390	0.5
307.19135	12.0
308.19302	1.0
325.20139	2.9
336.08774	0.4
501.31970	0.7
521.30939	0.7
539.32178	6.5
540.32959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39139	0.3
55.01869	0.7
56.61459	0.4
57.03424	0.4
58.00601	1.9
59.01377	43.6
61.98827	5.2
64.47148	0.4
69.03461	0.6
71.01376	27.3
71.54763	0.7
72.01727	0.6
72.99308	2.0
73.02947	1.6
78.18544	0.4
79.05527	0.4
83.01402	0.9
85.02940	4.8
87.00885	1.5
88.98838	0.5
89.02440	38.2
91.05559	0.4
93.03471	0.6
95.01394	1.8
99.00909	0.5
101.02436	16.3
107.03464	0.4
107.05045	2.4
108.02147	0.6
109.02946	1.1
113.02444	11.4
117.03494	0.5
118.01790	0.4
119.03495	16.2
121.06546	0.4
123.08145	1.1
125.02420	2.5
131.03520	1.6
133.02939	6.8
134.03743	8.8
135.04518	100.0
136.04826	2.7
137.02434	1.0
139.04004	0.4
140.01071	0.6
143.03496	3.1
149.02451	0.4
149.04576	1.2
151.03943	0.4
152.01169	0.5
161.02440	26.0
161.04446	4.3
162.02797	1.1
168.00685	0.5
169.01421	2.2
177.01967	0.8
178.02670	0.7
179.03494	82.8
179.05585	17.0
180.03865	2.8
180.05830	0.4
191.05659	1.4
193.05051	0.9
197.08157	6.6
201.97173	0.4
203.03633	0.8
219.76707	0.4
221.04532	0.8
251.05588	0.7
261.07703	1.2
281.06650	1.5
315.12360	85.4
316.09000	0.6
316.12704	5.5
333.13373	0.6
341.08691	2.0
359.11264	5.3
371.20642	0.5
377.14471	52.7
378.14716	2.8
398.16464	0.4
503.24988	6.2
504.25790	0.5
539.17603	9.2
539.23541	3.9
540.17468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34597	0.9
55.01886	2.4
57.03442	1.2
58.00053	1.0
59.01380	22.9
64.26891	1.0
69.69958	5.5
71.01377	17.9
72.99273	1.4
73.02950	4.8
73.08694	0.9
83.01385	3.9
85.02946	7.9
85.16461	1.2
85.27018	1.0
86.00133	1.4
87.00887	2.1
89.02435	13.9
93.03448	7.9
94.12706	1.0
95.01385	2.5
96.96021	14.1
97.02946	1.2
99.00871	2.2
101.02446	13.2
108.02118	1.7
111.00904	1.6
113.02428	6.3
119.03492	3.5
121.02921	7.2
122.03729	14.0
123.04521	1.9
125.02407	2.6
131.03464	1.2
133.02946	5.5
134.03702	2.1
135.04518	3.0
136.01625	1.8
137.02415	1.5
139.00371	2.4
139.03981	1.4
143.78316	1.0
149.01279	2.0
149.02434	29.3
150.03218	99.6
151.03639	2.2
161.02411	3.3
161.04591	1.5
162.03168	2.2
163.07614	1.4
164.04790	6.3
165.05559	100.0
166.06230	6.7
166.99835	1.8
167.07100	1.5
169.01361	1.8
173.04382	1.0
177.05562	2.1
179.05611	2.5
180.04211	5.5
181.08723	7.9
190.08109	0.9
191.05615	10.5
191.07198	1.6
195.06607	46.9
196.07021	1.1
219.06775	1.2
233.04604	1.0
263.05740	2.6
314.11615	3.3
315.12405	1.4
329.13947	9.5
343.13950	18.5
344.14108	1.5
357.15839	1.3
412.16342	1.2
491.19183	96.1
492.19614	9.0
495.14999	5.0
503.08258	3.1
539.21625	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	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
58.00584	1.7
59.01379	48.0
61.98831	4.2
62.38108	0.8
67.37857	0.7
69.50581	2.3
69.50993	2.2
71.01380	28.7
72.99310	2.0
83.01385	1.5
85.02950	5.1
87.00865	2.1
87.89799	0.6
88.98811	0.8
89.02443	39.7
95.01401	2.0
98.20622	1.4
101.02435	17.2
103.60649	0.7
107.05038	1.4
108.02228	0.8
113.02451	11.5
119.03497	15.4
119.04968	0.6
125.02435	1.9
131.03513	1.6
133.02936	8.1
134.03737	9.8
135.04523	100.0
136.04819	3.4
137.02440	0.9
143.03468	1.9
144.92587	0.6
149.04559	1.4
160.23326	0.6
161.02443	26.9
161.04451	4.5
162.02713	1.1
168.56682	0.7
169.01370	1.7
169.36058	0.7
173.29843	0.7
176.33231	0.6
177.69313	0.7
178.02760	0.8
179.03499	79.6
179.05595	14.8
180.03812	2.3
191.05626	1.1
197.08212	6.2
261.07651	1.6
281.06686	0.7
305.96863	0.7
315.12375	80.2
316.12708	5.6
341.08743	1.8
359.11334	5.3
377.14481	48.8
378.14825	3.4
503.25052	5.1
539.17761	9.7
539.24060	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	539.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
60.73560	0.6
60.99305	5.2
61.98839	3.7
71.01019	1.7
71.01379	3.5
75.00858	1.0
85.02959	7.2
87.00863	1.6
88.98805	25.3
88.99362	1.3
89.01436	0.6
89.02442	1.5
93.03428	3.6
96.95979	1.0
101.02423	0.8
104.13665	0.6
109.02953	1.1
111.04539	1.3
119.05018	0.7
122.03711	1.5
123.00924	0.8
123.04523	1.4
125.02429	1.8
127.04020	1.3
131.76106	0.6
133.02946	1.5
135.04526	2.3
147.95078	0.7
153.05551	2.9
161.02411	6.1
163.04013	1.3
165.01939	0.9
167.07129	18.3
169.01425	0.7
172.05293	1.1
173.04526	2.1
179.03511	1.4
187.07616	11.2
191.05609	100.0
192.05940	2.9
193.08620	0.7
200.04904	0.8
213.09123	1.1
214.06473	0.7
215.07115	2.4
227.03381	1.5
228.04234	1.6
229.08664	0.8
242.51157	0.7
257.08167	15.5
258.08261	0.7
275.09229	1.2
323.07770	0.8
427.82724	0.7
449.14633	6.2
477.13983	4.7
539.15015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.2
59.24516	0.7
61.98830	100.0
70.49725	2.6
71.01390	1.1
76.53237	0.8
77.95758	0.8
85.29598	0.8
93.03451	9.6
113.02441	1.2
121.02950	2.5
134.43805	0.8
135.04515	9.6
136.04868	3.1
137.02443	17.3
179.03503	8.7
180.03831	4.2
191.05591	1.3
207.73720	0.7
211.14455	0.9
227.07178	5.2
258.48773	0.9
263.05658	0.8
281.06735	6.8
315.15753	0.9
323.07639	1.2
353.30991	0.8
405.24771	0.9
507.09451	0.9
536.78815	0.8
537.29053	2.5
538.29700	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	538.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85332	1.2
59.01379	10.1
59.17216	1.5
60.99303	2.0
61.98823	23.5
63.60137	1.4
68.05125	1.4
69.03459	2.5
70.31819	5.2
71.01388	8.5
75.00891	1.3
78.95910	2.3
80.02634	1.5
80.96519	3.0
83.05064	2.2
85.02946	6.5
87.00833	2.0
88.98800	5.3
89.02457	4.2
91.01888	22.2
92.02244	4.1
93.03457	5.5
97.02937	2.6
98.20625	1.8
101.02444	3.1
106.12343	1.4
107.05048	2.6
108.02162	31.0
109.02346	2.3
109.03067	8.4
110.03255	1.9
113.02446	1.9
119.04991	1.4
121.02944	3.6
122.03745	6.9
123.00841	9.2
123.04524	6.5
125.02441	6.3
133.02942	4.0
135.00868	18.1
135.04524	5.7
136.01175	3.7
137.02449	10.0
147.04475	1.5
149.99525	1.7
151.02371	1.6
152.01129	24.6
153.01558	6.4
161.02455	7.1
163.04028	1.9
168.00653	2.8
169.01384	3.4
178.99847	4.2
179.03455	4.7
180.07884	1.7
183.13873	3.7
190.30008	1.5
191.05595	26.2
192.00677	1.6
192.05959	3.2
197.06065	2.6
206.99371	1.9
209.11848	1.6
211.03986	2.8
213.05577	1.7
223.09805	2.7
227.03447	4.0
239.03467	1.9
243.06598	100.0
244.06935	91.1
245.07039	2.3
255.02940	6.1
271.02420	9.4
283.02505	6.4
298.11923	1.5
299.01819	3.2
300.02643	2.3
311.01901	3.0
328.02246	26.0
329.02969	27.1
330.03180	2.3
429.09747	1.5
430.10519	2.3
444.15829	2.5
462.16449	2.7
471.52676	1.9
475.08789	50.9
476.09076	5.8
477.18970	2.0
478.19556	2.6
490.19357	3.0
495.22717	3.9
520.21008	4.6
529.45642	1.8
538.16260	12.0
539.21777	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	537.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78468	1.9
59.01376	41.8
61.98831	3.8
78.95901	4.7
83.05028	9.0
88.98788	5.0
93.03428	2.7
95.05053	3.8
97.06596	6.4
107.04999	7.5
109.06572	4.9
116.44751	2.4
123.04501	3.1
125.09705	12.7
133.02966	4.0
135.04549	3.5
135.08160	7.7
151.11232	3.2
153.09230	6.5
163.11301	6.3
166.28661	2.1
169.12340	69.4
171.10272	60.4
176.08368	3.1
178.10054	2.9
185.11845	9.2
191.05585	9.8
197.11833	13.9
207.10188	6.2
209.11804	88.9
210.12086	5.0
211.13351	5.2
213.11263	7.2
225.11330	8.2
231.12331	66.3
243.17426	3.8
261.18472	3.1
279.19540	2.6
287.16425	9.1
289.18182	4.0
301.03525	2.3
305.17566	100.0
306.17929	7.3
307.19031	3.0
323.18634	71.2
324.19083	3.6
359.44626	2.4
423.23782	3.9
441.24490	3.6
459.27350	9.9
501.28619	4.1
519.29639	27.1
537.30725	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56628	2.6
57.03433	7.3
59.01368	8.5
61.98809	5.3
69.03461	3.9
69.33183	13.9
69.33601	10.2
71.01348	6.9
81.03437	5.2
83.05013	10.3
85.02943	9.2
87.00847	3.5
93.03439	9.9
95.05048	6.8
97.06585	10.3
98.19901	4.3
101.02429	3.8
107.05014	11.7
109.06605	5.4
111.04552	3.7
121.02915	3.1
123.08146	3.5
125.09720	12.8
133.02953	3.2
135.08136	7.7
147.04497	2.9
151.07639	3.1
151.11276	31.1
153.09190	12.0
159.49300	2.7
161.06038	4.0
163.11234	9.2
165.12837	4.3
167.63234	3.1
169.08652	4.1
169.12323	75.2
173.04541	5.6
178.10028	3.4
185.11781	8.8
189.12885	3.3
191.05591	31.2
192.05983	4.8
195.10262	4.1
197.11819	27.2
207.10194	5.1
209.09917	5.6
209.11816	100.0
210.12206	3.9
213.11293	63.5
214.11710	4.0
225.11256	6.6
227.12859	6.4
239.38750	2.9
243.17529	8.1
261.18668	5.1
277.21637	9.2
279.19464	4.2
287.16473	16.7
287.19919	4.2
289.18094	10.8
305.17563	97.0
306.17932	9.7
307.19083	11.2
323.18564	17.4
457.29587	5.5
501.29181	4.2
531.42914	3.6
532.88354	4.3
536.74652	3.8
537.32544	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	537.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10864	12.8
53.59547	10.2
54.70299	10.6
54.93727	11.2
59.01361	65.3
61.98831	100.0
78.95897	29.4
88.98805	44.3
98.20766	24.2
111.00877	16.4
125.09767	14.6
129.42427	12.0
135.04526	17.0
139.00441	14.0
164.78427	12.1
191.05569	90.5
366.81314	13.7
375.06613	15.6
447.09497	19.7
490.20520	13.3
501.32251	15.5
537.30249	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01371	1.4
61.98800	0.8
69.03448	1.3
71.15672	1.5
71.33681	0.7
72.08595	0.6
73.02952	0.7
73.13339	0.7
75.00884	1.6
78.95882	0.8
82.23499	0.7
82.66733	0.7
88.98775	0.7
97.02901	1.0
97.06594	1.5
104.30000	0.6
118.15146	0.7
123.04612	0.7
123.08159	1.1
125.09695	4.4
127.11343	1.0
132.03185	0.7
135.08177	1.1
137.09679	1.4
139.11299	1.6
141.12865	4.3
151.11343	0.8
153.09222	1.2
155.10802	1.2
163.11308	1.5
167.10684	3.4
168.10880	0.7
171.10233	4.7
185.11818	100.0
186.12170	3.6
191.05551	2.3
191.14409	2.9
197.11790	0.9
201.11304	2.0
207.10175	1.4
209.11855	3.0
211.13481	0.7
225.11398	1.4
229.10782	58.4
230.11140	2.0
245.19041	6.6
247.11856	1.9
289.18085	25.6
290.18500	1.7
305.17551	0.8
307.19165	25.5
308.19382	1.0
325.20197	5.3
349.27658	0.7
353.31479	0.7
397.52411	0.7
537.30975	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97804	0.4
55.01883	2.5
56.64994	0.4
57.03453	1.9
58.00590	0.8
59.01378	29.1
60.99302	2.2
61.98827	1.4
67.01884	0.5
67.24776	0.4
69.03457	9.3
69.33939	3.8
71.01380	33.0
72.99310	1.9
73.02941	9.7
75.00884	0.7
81.03486	0.5
83.01381	6.9
84.02219	0.5
85.02948	16.3
87.00880	4.1
88.98804	13.5
89.02442	15.4
89.03996	0.6
93.03452	2.1
95.01388	3.1
96.96017	2.1
97.02949	1.4
99.00902	4.0
99.04561	1.0
101.02441	36.1
107.05022	5.4
109.02953	1.0
111.04593	0.5
113.02447	19.1
116.67791	0.4
119.03509	5.9
119.05026	0.7
121.02953	1.4
123.00871	0.6
123.04549	0.6
125.02455	2.1
125.06066	1.5
129.01968	1.0
131.03517	1.0
132.02161	1.1
133.02954	26.3
134.03703	0.5
135.04532	10.7
137.02412	0.6
139.03937	0.5
143.03529	2.5
147.04491	1.7
149.02451	0.7
151.00325	0.9
151.04019	0.5
151.07623	2.9
159.03004	1.7
159.04433	0.6
161.02438	100.0
161.04414	11.4
162.02763	4.3
163.04013	2.7
163.07690	0.7
164.04784	1.9
165.05589	3.0
169.01425	2.0
169.08681	2.0
171.92062	0.4
173.04564	1.4
177.01962	1.3
177.05524	0.6
178.06432	1.1
179.03479	7.3
179.05736	2.4
179.06996	0.7
181.59647	0.5
191.05600	8.5
192.05946	1.0
193.01376	0.5
193.06090	0.9
193.08681	3.3
195.06598	1.5
209.08118	0.6
213.07658	6.1
217.05293	0.5
255.03076	0.6
259.61218	0.5
265.05121	0.5
271.02469	0.7
281.06500	1.3
300.02795	1.4
301.03473	1.3
313.10782	0.7
331.11832	3.6
341.08609	1.0
345.61264	0.6
349.77219	0.5
351.07043	0.6
357.13422	1.2
375.07050	0.7
375.12878	4.1
375.23837	18.4
376.24258	1.8
447.09375	3.0
493.16931	1.6
537.16272	22.7
537.29114	40.5
538.16669	2.9
538.29498	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55860	0.5
57.03429	1.0
58.00602	2.8
59.01377	29.7
61.98823	0.7
62.15962	0.5
66.10950	0.6
67.97831	0.5
69.03448	1.1
69.39694	4.1
71.01379	27.4
72.99313	1.0
73.02945	8.3
74.34447	0.4
74.47691	0.5
75.00867	1.2
83.01380	6.9
85.02952	8.0
86.71458	0.5
87.00878	33.0
88.98810	1.3
89.02442	30.0
95.01400	3.1
97.02941	1.5
97.06577	0.5
99.00866	1.5
101.02441	17.5
113.02444	20.5
115.03989	1.6
119.03500	8.6
125.02437	3.7
125.06104	0.6
129.01947	1.0
131.03455	2.4
135.04480	0.7
139.07680	1.0
141.01936	2.2
142.22246	0.5
143.03496	4.7
145.19925	0.6
149.04555	1.1
159.02914	0.7
161.02492	0.9
161.04550	8.3
163.14995	0.6
167.14409	1.7
169.01411	2.3
179.05611	11.9
179.14391	1.4
183.13896	13.4
191.14391	3.0
195.13898	15.3
195.15594	1.0
197.10869	0.5
197.15479	2.6
197.31226	0.5
207.13882	1.1
209.15479	4.2
213.14949	100.0
214.15312	4.9
223.16948	0.9
227.16473	8.3
237.14944	5.6
249.14932	2.3
255.16014	11.1
267.16037	2.9
301.03564	0.5
309.17111	0.7
315.17920	0.6
323.09821	12.1
324.10153	0.9
341.10855	50.7
342.11047	2.8
386.37711	0.5
447.09274	1.2
522.01385	0.6
537.25623	4.3
538.25824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	7.6
60.99323	17.2
61.98826	6.2
69.27754	12.1
69.28183	11.3
71.01376	10.7
73.02973	3.3
78.95899	3.0
80.96508	4.2
85.02936	10.8
88.98804	100.0
89.02431	20.7
91.01888	5.9
93.03455	20.8
101.02443	11.3
108.02162	3.8
112.98587	4.1
113.02435	4.7
118.54652	2.6
123.00894	2.6
125.02439	7.7
133.02934	4.0
135.00922	6.1
135.04500	10.0
137.02441	41.4
149.99649	3.0
152.01109	4.7
161.02415	6.1
161.04523	4.3
167.31673	2.4
168.00684	3.8
179.03491	5.5
191.05611	30.0
192.06047	5.4
195.46147	2.6
234.61966	2.6
243.06584	33.9
300.02722	3.5
315.18073	3.1
447.09433	3.3
477.23273	12.8
489.18857	3.5
519.20447	3.7
537.16028	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	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26191	0.4
52.80442	0.4
58.00592	0.4
59.01377	8.7
61.98831	1.9
69.16853	0.9
69.17272	3.3
71.01383	4.5
72.99286	0.5
73.02946	0.4
78.95905	0.6
79.95705	0.5
80.96481	0.5
83.01389	0.4
85.02448	0.3
85.02954	1.7
87.00876	0.7
88.98803	1.0
89.02450	5.1
93.03446	1.6
95.01370	0.6
99.00880	0.4
101.02430	4.0
101.22945	0.4
111.04526	0.5
113.02448	1.6
115.01838	0.4
117.03465	0.8
119.03502	1.4
121.73026	0.3
123.04494	0.4
132.02193	1.3
133.02950	30.8
134.03648	0.8
135.04521	5.2
137.02425	0.7
152.78633	0.4
161.02432	100.0
162.02789	3.1
163.04005	0.6
173.04576	0.9
179.03534	2.3
191.05650	1.4
195.13905	3.3
213.14998	1.5
254.21436	0.4
300.02777	0.4
375.20206	29.5
376.20566	1.9
489.29944	0.5
536.69116	0.4
537.23358	35.1
538.23767	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	537.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83741	1.9
59.01371	9.1
60.99302	17.2
61.98833	3.3
68.60470	1.6
68.99573	4.3
70.45511	6.4
71.01375	10.0
75.00868	3.3
80.96522	3.4
85.02961	4.6
87.00882	3.1
88.98799	100.0
89.02434	18.1
91.01891	7.6
93.03448	8.1
101.02441	10.6
105.11469	1.6
108.02164	6.8
112.98599	3.3
113.02421	3.9
121.02944	2.1
123.00906	4.2
124.01626	3.1
125.02441	7.2
130.23544	1.7
133.02945	3.7
135.00906	3.7
135.04526	5.6
137.02428	15.9
149.99561	3.5
152.01155	12.5
161.02420	8.1
161.04472	4.4
161.05959	1.7
163.04102	1.8
165.62413	1.7
167.07933	1.9
168.00595	6.7
168.17178	1.8
179.03548	4.6
181.08716	2.0
191.05605	20.1
192.05934	2.8
205.05031	2.3
206.06912	2.3
206.40361	1.7
243.06595	52.3
243.08926	3.7
244.06865	2.5
281.07962	1.9
304.93616	1.8
315.17963	4.0
343.14005	2.2
447.09070	3.9
447.66586	2.0
449.75696	2.1
477.23346	6.7
489.19116	7.1
537.15961	10.5
537.27997	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07269	0.3
59.01377	9.8
61.98833	2.3
71.01373	4.9
71.14409	0.3
73.02949	0.6
80.96490	0.8
83.05005	0.4
85.02941	1.6
87.00860	0.9
88.98810	1.3
89.02441	5.1
93.03453	1.3
101.02431	4.2
105.03448	0.6
113.02444	2.1
117.03492	1.3
119.02783	0.4
119.03490	2.3
132.02162	1.6
133.02950	31.4
134.03384	1.1
135.04523	5.5
137.02417	0.8
140.32449	0.4
161.02434	100.0
162.02803	2.6
171.10271	0.4
173.04532	0.8
179.03429	1.7
183.86868	0.3
187.79945	0.4
191.05589	2.2
195.13866	2.8
213.14955	0.7
221.04457	0.4
229.45200	0.5
243.19603	0.5
256.40045	0.4
375.20203	27.5
376.20471	1.7
447.09058	0.9
510.64349	0.5
536.69269	0.7
537.23334	35.7
538.16534	0.5
538.23682	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	537.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31557	0.7
59.01367	7.0
67.01894	1.1
69.03458	2.3
71.01379	5.7
71.52917	1.0
72.99313	1.2
78.42918	0.7
85.02942	7.2
87.00886	2.5
89.02441	6.6
93.03445	6.7
97.02948	2.4
101.02426	2.5
105.04218	0.7
108.02172	1.7
109.02932	6.9
111.00839	1.0
111.04520	1.6
113.02418	2.1
119.03492	2.2
121.02953	5.7
122.03736	2.2
123.00779	0.8
123.04486	1.2
123.08553	0.8
124.01633	0.8
125.02417	1.3
127.04014	1.2
133.03000	1.5
134.03746	1.8
135.04509	2.4
136.01656	80.2
137.02484	8.2
139.04037	1.9
143.03459	1.0
146.03723	1.0
147.04520	0.9
149.02432	1.6
150.03206	2.7
151.03996	100.0
152.04367	2.3
159.04485	4.0
160.05287	3.0
161.02443	3.6
161.04527	1.3
162.03247	1.5
163.03981	1.5
165.05562	2.9
169.01419	0.8
171.02927	1.0
173.04556	3.7
173.05861	0.9
175.04005	2.7
175.07625	1.8
176.04761	1.7
177.01949	1.1
177.05574	1.9
179.03467	2.3
179.07092	0.8
183.02763	0.7
184.70180	0.8
185.05991	0.9
187.04065	3.8
188.04419	1.2
189.04376	1.0
190.06332	1.0
191.05595	50.3
191.06853	2.0
192.05988	5.5
193.06171	4.6
195.06567	1.2
203.03528	1.0
209.08180	1.0
211.07668	1.3
212.07941	0.8
218.52605	0.8
221.08063	1.0
239.07166	1.9
255.06453	1.0
256.07086	1.1
265.05081	3.3
266.05643	1.8
267.06631	6.5
268.06989	0.8
269.12680	0.8
279.06647	2.2
281.08344	1.5
282.08914	6.1
283.06277	1.1
283.09338	1.2
294.08844	1.6
295.10971	1.2
297.08316	0.6
297.11276	15.9
299.09436	1.2
301.09775	1.9
309.07767	1.6
312.09949	2.1
315.12283	3.3
327.08710	1.7
327.12286	18.7
328.12845	1.5
339.12442	1.1
342.11060	5.1
345.09244	1.0
345.13385	16.6
346.13843	1.3
357.13397	80.5
358.13736	7.0
369.08459	1.1
375.14621	4.3
415.11407	1.3
439.12616	1.7
447.13934	5.8
457.11160	0.8
537.16437	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	537.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03444	2.4
58.00585	2.5
58.58650	1.6
59.01376	83.4
69.03461	2.0
71.01379	57.6
71.53858	1.8
72.99311	3.8
73.02934	3.1
73.83691	1.3
83.01363	2.7
85.02944	16.6
86.34878	1.4
86.83497	1.3
87.00874	5.0
89.02441	80.3
93.03465	9.2
95.01408	3.0
96.95968	1.3
97.02974	3.9
99.00896	1.6
101.02439	27.9
108.02190	4.6
109.02947	5.3
113.02441	25.4
116.32014	1.5
119.03497	36.9
121.02950	3.6
122.03731	5.5
123.00887	3.1
123.04551	3.9
125.02457	2.7
127.03989	2.3
131.03474	5.6
133.02946	4.9
134.03748	2.3
135.04544	7.3
136.01653	58.1
137.02483	10.5
139.00404	1.4
143.03500	5.7
146.03665	2.1
149.02440	24.0
149.04573	4.1
150.03210	37.2
151.04004	100.0
152.04343	1.7
159.03180	1.7
159.04510	5.3
160.05264	9.8
161.02446	14.8
161.04538	9.1
161.05856	2.4
162.03085	1.9
164.04764	8.7
165.05557	36.6
171.02988	1.6
173.04539	3.1
175.03987	2.1
175.07594	9.7
176.04539	1.5
177.01906	3.2
179.03777	2.5
179.05594	23.1
179.07045	2.9
180.04346	2.1
180.05885	1.5
187.03993	4.3
191.05597	67.3
192.05977	5.2
193.06050	4.8
195.06625	16.8
216.76741	1.5
237.05464	1.4
239.07117	2.6
251.07143	2.7
263.07132	4.3
265.05109	3.9
278.06033	2.4
278.09286	2.0
279.06601	7.5
282.08844	1.5
283.06247	1.9
283.09641	4.4
293.08319	2.8
294.08893	7.3
297.10999	2.7
309.07635	5.2
309.11301	9.1
312.10043	8.5
324.09836	1.9
327.08868	4.7
327.12329	84.6
328.12625	5.1
339.12482	12.2
345.13217	2.0
357.13312	3.2
357.23981	1.6
375.14551	2.5
391.53729	1.6
436.58524	1.5
439.12616	2.6
447.14203	2.1
489.17792	5.0
519.14856	4.1
537.19427	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.9
59.01374	71.2
67.01934	1.7
69.03467	3.0
69.19682	2.7
69.20082	12.7
71.01377	56.8
72.99314	4.6
73.02945	4.9
73.54654	1.4
73.71666	1.6
83.01362	2.6
85.02939	17.3
87.00877	5.3
89.02438	75.4
93.03460	6.6
95.01398	4.2
97.02953	3.3
98.20575	3.5
99.00850	2.1
101.02438	30.9
108.02151	3.1
109.02946	5.1
111.00880	1.6
111.04555	1.5
113.02454	20.5
119.03496	28.5
121.02952	2.2
122.03733	4.9
123.00871	3.1
123.04510	3.8
124.01707	1.6
127.03943	2.3
131.03517	3.6
133.02942	6.4
135.04526	7.7
136.01657	61.2
137.02454	7.6
143.03482	6.8
146.03627	2.3
147.04532	2.5
149.02437	23.4
149.04535	3.7
150.03221	33.3
151.03995	100.0
152.04338	3.3
159.04514	4.9
160.05270	11.6
161.02406	9.1
161.04547	11.2
161.05823	2.2
164.04784	6.7
165.05547	27.1
169.01448	2.4
173.04578	3.6
175.03940	3.2
175.07617	11.1
179.03482	2.9
179.05615	21.7
179.07063	2.5
187.03989	3.1
191.05602	61.3
192.05936	5.0
193.05977	4.9
195.06627	17.3
203.07088	1.8
239.07205	1.9
251.07135	3.3
257.04199	1.7
263.07162	5.4
265.05032	4.7
278.09543	3.2
279.06702	5.0
283.09747	2.1
294.08951	7.0
297.11252	1.6
301.09808	2.2
309.07581	4.1
309.11304	9.3
312.10120	8.3
315.44327	1.8
317.30338	1.4
327.08862	4.1
327.12314	72.7
328.12683	4.6
339.12381	12.4
345.09518	2.2
345.13474	3.1
357.13510	2.2
370.08847	3.6
439.12454	3.0
489.17581	3.8
519.15228	4.7
537.20734	11.2
546.35712	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	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48351	2.1
59.01374	8.9
60.99305	2.6
61.10387	2.0
61.98832	38.8
65.03947	2.8
67.01868	4.8
67.74462	1.9
69.03444	5.8
69.40798	5.1
69.41205	10.6
71.01369	7.6
87.00883	2.5
87.45513	1.9
88.98795	10.5
89.02447	9.5
91.01907	15.9
93.03419	4.1
96.96008	2.5
97.02939	2.6
101.02435	5.8
105.01884	3.0
109.02963	26.8
113.02451	3.0
114.07964	2.1
123.00876	2.5
124.01679	2.9
125.02448	50.2
125.03328	2.0
126.98620	2.2
131.24637	2.3
133.02998	10.2
134.99931	2.7
135.00893	37.1
135.04509	28.9
135.98299	4.2
136.04816	8.7
137.02414	2.9
149.06055	5.8
151.04034	2.4
153.01933	100.0
161.02423	33.9
161.04492	3.2
162.02817	3.2
168.00603	4.0
169.01433	37.2
173.04359	2.0
177.01941	2.9
177.05559	4.7
177.78755	2.0
178.05882	2.2
179.03497	23.1
180.03810	12.8
191.05595	15.5
207.08508	2.3
221.04417	5.6
222.04851	6.1
223.18871	1.9
251.05580	7.1
252.05827	5.6
281.06625	12.0
282.06967	14.9
283.06342	2.4
285.04138	2.9
300.02551	4.7
301.03421	2.5
341.08777	10.0
342.09103	13.7
357.29068	2.0
375.13730	2.9
379.82843	2.1
429.10291	6.3
431.09821	3.9
447.09024	7.7
474.14627	4.3
493.17062	10.6
526.33807	2.3
537.16022	11.6
537.23798	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	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01375	4.9
60.19746	0.4
60.99327	0.7
61.98822	2.9
66.93982	0.4
69.03461	3.2
71.01380	3.8
72.99306	0.5
73.02954	1.2
79.01874	0.4
81.03461	0.9
83.01370	0.9
85.02954	1.5
87.00882	1.1
88.98809	3.6
89.02447	2.5
93.03473	1.3
95.01366	1.1
95.05004	0.6
97.02950	2.1
98.19849	0.9
101.02449	2.4
107.01405	0.5
108.02213	0.5
109.02932	0.8
113.02463	1.5
119.05032	0.6
121.02963	1.0
121.06582	0.7
123.00878	2.2
124.01676	4.3
125.02444	100.0
126.02773	1.8
133.02965	3.4
134.03737	1.1
135.04536	4.9
137.02454	1.1
139.00392	0.7
147.04518	1.7
149.06032	0.6
151.04039	0.6
153.01994	0.6
161.02451	5.9
161.04526	0.7
163.03957	0.9
164.04840	2.7
165.05566	9.8
166.06297	0.5
166.99818	1.0
167.03398	0.6
168.00639	4.3
169.01414	71.3
170.01741	1.5
173.04568	0.6
177.01891	1.1
177.05598	1.2
179.03490	3.0
179.07143	3.2
179.10739	2.4
191.05553	3.9
213.15030	0.6
223.09747	0.7
225.43118	0.5
229.22166	0.5
243.02901	1.1
258.05270	1.7
259.05954	1.0
266.05817	0.6
269.06689	0.9
273.07706	3.3
287.07791	2.3
295.05988	0.9
300.02789	1.2
301.03503	0.8
310.08368	0.6
313.05545	0.8
325.10760	2.0
327.11169	0.6
331.06467	2.3
345.13367	0.6
351.07114	0.8
375.13760	0.6
375.18118	1.4
447.09164	2.4
449.18271	4.3
493.17154	14.3
493.24240	0.9
494.17456	1.4
520.68463	0.7
537.15839	12.5
537.23627	9.5
538.16162	1.5
538.23987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03447	1.4
58.00592	1.0
59.01378	25.2
60.99298	0.9
64.72466	0.4
67.84007	0.5
69.03455	10.9
69.03813	0.8
69.17021	0.6
69.17355	5.3
71.01379	26.1
72.97186	0.5
72.99331	1.3
73.02947	7.5
81.03446	0.7
83.01384	5.5
85.02945	13.0
87.00883	2.9
88.98798	6.2
89.02442	13.6
93.03465	2.4
95.01388	2.4
95.05029	0.7
96.96016	1.7
97.02959	1.0
98.20674	1.1
99.00881	3.3
99.04524	1.8
101.02437	30.5
107.05020	6.3
109.02921	0.7
113.02450	15.3
116.96854	0.4
119.03496	3.8
119.05040	1.0
121.02951	1.3
123.00906	0.6
125.02438	2.1
125.06067	1.8
129.03444	0.5
131.03479	0.6
132.02184	1.4
133.02957	24.7
135.04520	10.9
136.04727	0.5
137.02376	0.7
139.28732	0.5
143.03505	1.4
145.02975	0.6
147.04494	2.1
149.02422	0.6
149.06055	0.6
151.07689	2.4
159.02985	2.4
161.02441	100.0
161.04407	10.3
162.02795	3.0
163.04042	2.8
164.04759	1.2
165.05527	3.6
169.01419	2.1
169.08736	2.0
173.04579	0.7
174.96158	0.5
178.06445	1.0
179.03482	7.6
179.05586	2.4
191.05618	7.1
192.05928	1.1
193.06090	0.5
193.08659	2.4
195.06618	1.7
211.02483	0.6
213.07709	8.0
221.04597	0.8
224.04478	0.5
281.06561	1.1
300.02878	0.5
313.03333	0.5
313.10663	1.0
327.08548	0.6
331.11774	4.2
341.08835	1.1
351.07309	1.1
353.08698	0.6
357.13208	1.2
375.13187	5.0
375.23831	16.0
376.24130	0.8
477.23581	0.6
493.17206	1.6
537.16333	23.7
537.29053	31.8
538.16321	2.5
538.29382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31269	0.4
50.43537	0.4
53.21728	0.3
55.27528	0.4
59.01373	3.2
60.99305	0.8
61.98820	2.2
65.00318	0.8
71.01369	1.9
75.00878	0.7
79.95747	0.9
80.96514	2.2
81.03415	0.5
85.02940	3.9
87.00864	1.0
88.98797	2.3
89.02420	1.9
91.01318	0.7
91.01894	13.0
93.03445	2.8
95.01392	0.8
97.02955	0.5
98.20669	0.9
101.02434	1.2
103.98663	0.4
107.05038	0.9
108.02169	16.9
109.02969	4.5
110.26542	0.4
113.02423	0.7
119.05029	0.4
121.02934	1.1
122.45812	0.4
123.00875	5.5
125.02420	1.6
127.04012	0.9
133.02946	1.7
135.00883	13.1
135.04532	2.0
137.02452	4.6
151.03983	0.8
152.01154	16.6
153.01799	0.9
161.02441	5.0
163.04059	0.5
164.98573	0.4
169.01355	0.5
177.05496	0.7
178.99876	0.8
179.03499	1.4
180.07852	0.9
181.05002	0.5
187.03941	0.6
191.05598	20.4
192.05972	3.1
195.10245	0.7
197.06076	2.0
209.11833	1.8
213.05586	0.8
215.07114	1.0
223.09700	0.8
225.00661	0.6
229.04771	0.4
243.06601	100.0
244.06941	4.1
255.03094	0.8
271.02512	1.0
281.06766	0.7
283.02420	0.6
283.13492	0.9
293.08939	0.5
297.11853	0.5
297.61658	0.5
300.02631	0.7
301.03400	0.9
328.02158	1.6
329.02911	1.9
373.15857	0.5
374.16867	1.2
375.17175	1.3
415.66110	1.1
429.10287	1.8
447.09161	1.0
459.14304	0.8
475.08774	3.0
477.19095	0.8
489.19177	0.9
491.53772	0.4
492.88843	0.5
495.20599	0.4
501.19333	0.7
511.72055	1.0
519.20465	1.0
520.72729	1.5
537.15558	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58940	0.2
55.01842	0.2
56.38333	0.2
58.00579	0.2
59.01380	7.6
60.99290	0.3
63.73167	0.2
67.01886	0.2
67.30303	0.2
68.91700	0.2
69.03455	11.6
69.18801	0.7
69.19231	1.0
71.01383	3.4
72.99328	0.2
78.48933	0.2
81.03457	0.6
83.01392	0.2
85.02935	0.8
85.38635	0.2
86.93762	0.2
87.00867	0.2
88.98791	1.4
89.02451	4.7
89.03962	0.5
91.05556	0.3
93.03454	0.3
95.01386	0.2
95.05035	1.5
99.04530	1.1
101.02440	2.1
104.32729	0.2
105.03449	0.7
105.96414	0.2
106.04240	0.4
107.05031	1.7
108.02164	0.2
109.17899	0.2
113.02448	1.9
115.01895	0.2
117.03473	0.5
119.03513	2.0
121.02963	0.7
121.06596	2.6
125.02448	0.7
125.06086	0.7
127.08697	0.2
132.02145	1.5
133.02957	25.5
134.03760	4.8
135.04523	57.4
136.04839	1.7
139.07672	0.3
143.03502	0.7
149.02563	0.2
151.07645	3.5
153.01978	0.3
161.02437	100.0
162.02783	3.0
166.20047	0.2
168.00687	0.2
169.01308	0.2
169.08694	1.0
179.03493	44.0
180.03862	1.3
185.14020	0.2
191.05571	0.3
195.06598	1.9
227.31152	0.2
245.74231	0.2
261.07748	0.8
271.02673	0.2
300.02850	0.3
301.03397	0.3
313.10983	0.3
331.06357	0.2
331.07510	0.2
331.11838	2.8
375.12930	14.7
376.13452	0.9
418.68735	0.2
440.20734	0.2
447.09399	0.6
493.17068	0.5
537.16223	8.9
538.16589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93246	1.0
66.97827	1.0
69.87885	2.6
69.88298	2.6
77.36964	1.0
81.74073	0.9
85.02959	7.3
87.00919	1.1
93.03449	2.6
110.50816	1.0
110.93743	1.0
111.04537	1.1
127.03989	2.2
137.02443	1.6
145.38187	0.9
161.02394	1.5
173.04355	1.3
191.05603	100.0
192.05930	3.9
353.08795	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	537.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.3
59.01379	7.9
60.99289	0.5
61.98833	0.2
65.39019	0.1
67.01889	0.2
69.03455	12.4
69.22684	1.0
69.23100	0.3
71.01382	4.8
72.99292	0.4
73.02941	0.3
81.03450	0.9
83.01371	0.2
85.02948	1.1
87.00877	0.2
88.98806	2.4
89.02444	4.9
89.03979	0.5
90.30658	0.1
91.05536	0.4
91.86354	0.1
93.03446	0.5
95.01388	0.5
95.05014	1.7
97.02889	0.1
99.00871	0.1
99.04545	0.8
100.52095	0.1
101.02435	2.6
102.82497	0.1
104.02708	0.2
105.03460	0.8
106.04218	0.2
107.01366	0.1
107.05026	1.8
108.02170	0.2
109.02974	0.2
113.02449	2.1
113.04086	0.1
115.01897	0.2
117.03490	0.6
119.03506	1.5
121.02969	0.9
121.06593	2.6
123.00847	0.1
123.04507	0.4
124.01641	0.4
125.02441	1.4
125.06065	0.4
131.03450	0.2
132.02161	1.4
133.02956	27.1
134.03764	4.9
135.04523	60.4
136.04843	1.7
139.07666	0.3
143.03490	0.5
149.02452	0.6
149.99591	0.6
151.00412	0.2
151.07643	3.2
153.01939	0.6
160.01631	0.2
161.02437	100.0
162.02774	3.0
163.00282	0.1
168.00658	0.8
169.01361	0.8
169.08667	0.9
179.03491	42.8
180.03831	1.2
191.05617	1.1
195.06630	1.9
195.99152	0.1
205.04971	0.2
243.06749	0.1
255.03133	0.2
261.07642	1.0
271.02509	0.4
300.02795	1.1
301.03534	0.6
313.10861	0.2
331.11880	2.8
332.12067	0.2
375.12949	15.1
376.13232	0.8
447.09390	1.2
493.17249	0.3
537.16174	9.1
538.16718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
61.59557	1.1
68.00005	1.2
69.03444	3.2
71.01370	2.8
79.23770	1.2
82.46127	1.5
85.02934	8.7
87.00870	2.1
93.03458	8.3
95.01385	1.4
96.96007	1.4
97.02949	1.7
109.02904	2.2
110.64741	1.1
111.04464	1.5
112.96107	1.0
113.02428	3.1
127.03924	2.5
133.02898	1.2
135.04494	5.1
136.01648	2.8
137.02393	3.9
139.03989	1.4
145.48825	1.4
151.03970	3.2
159.04448	2.5
161.02425	2.2
165.05777	1.3
171.03049	1.7
173.04512	8.1
179.03461	3.3
183.02927	1.9
191.05600	100.0
192.05844	7.0
193.05968	1.5
208.85805	1.1
213.07602	1.2
237.05669	1.9
239.07104	1.5
257.04636	2.5
265.04974	3.0
265.92471	1.1
266.05219	1.2
283.06171	1.7
297.11295	1.3
309.07681	2.6
327.08499	1.5
327.12189	1.6
353.08783	7.7
537.17944	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	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37466	1.4
54.67862	1.4
60.99305	17.0
62.51636	1.3
64.23653	1.2
71.53751	1.8
74.86224	1.3
77.47354	1.2
88.98807	100.0
100.62597	1.4
107.01366	1.6
121.02962	1.8
151.00348	8.4
161.02443	1.4
163.00330	2.1
178.99834	3.7
191.05582	1.6
211.71477	1.2
215.61418	1.6
243.02817	3.6
245.04581	1.8
255.02959	11.9
271.02490	21.2
272.03195	1.8
300.02747	46.1
301.03540	35.1
302.03708	2.0
415.05673	1.4
424.98987	1.6
447.09277	74.9
448.09595	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	537.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00553	0.4
59.01377	9.1
60.99303	1.9
61.98824	1.1
67.01881	0.4
69.03452	13.0
70.53115	0.2
71.01015	0.3
71.01379	5.4
72.90776	0.2
72.99312	0.5
73.02931	0.6
77.03983	0.2
81.03433	0.9
81.33591	0.2
83.01363	0.6
85.02956	1.1
85.92070	0.2
86.35359	0.2
87.00854	0.5
88.98800	12.3
89.02444	5.4
89.03951	0.5
91.01890	0.6
91.05515	0.3
93.03450	1.3
95.01396	0.8
95.05022	1.6
96.95968	0.3
97.02946	0.3
99.04514	0.9
101.02438	2.9
103.56621	0.2
105.03464	0.8
107.01366	0.2
107.05029	2.2
108.02136	0.6
109.02958	1.2
113.02443	2.4
115.01903	0.3
117.03449	0.7
117.50442	0.2
119.03487	1.7
119.05038	0.3
121.02969	1.5
121.06578	3.1
123.00867	0.5
123.04552	0.4
124.01643	1.1
125.02453	3.9
125.06081	0.5
131.03497	0.2
132.02161	2.0
133.02951	28.2
134.03760	5.3
135.00938	1.9
135.04518	60.6
136.04837	1.9
137.02440	0.6
139.00417	0.3
139.07671	0.4
143.03510	0.5
147.04459	0.2
148.05176	0.2
149.02486	1.4
149.04512	0.3
149.06064	0.3
149.99557	1.1
150.03218	1.0
151.00371	1.3
151.03995	0.4
151.07657	2.9
153.01936	2.1
156.61255	0.2
159.04480	0.4
161.02434	100.0
162.02768	2.7
163.00359	0.2
163.04042	0.4
164.04729	0.3
165.05637	0.3
168.00603	2.4
169.01405	3.6
169.08672	0.6
173.04509	0.5
177.02008	0.4
179.00099	0.8
179.03485	42.7
180.03845	1.2
181.04805	0.2
182.99432	0.2
191.05608	4.8
193.94958	0.2
195.04991	0.3
195.06602	2.0
201.07370	0.2
205.04991	0.4
243.02975	0.4
243.06691	0.3
255.03055	1.0
261.07742	0.6
271.02469	2.7
272.03159	0.3
283.02701	0.3
293.08777	0.3
300.02698	4.7
301.03476	4.0
302.03949	0.4
305.06833	0.3
317.50790	0.2
327.08755	0.4
331.07236	0.4
331.11948	2.8
351.07285	0.7
375.12930	14.6
376.13492	0.6
447.09283	7.8
448.09799	0.7
493.17252	0.5
507.20169	0.4
537.16187	8.8
538.16113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72102	1.3
59.01384	11.2
60.01723	2.0
61.98829	100.0
71.53529	1.8
71.53887	1.4
78.95911	3.2
85.02950	2.4
93.03471	2.7
141.56395	1.3
191.05606	11.4
229.10805	2.0
276.32654	1.5
283.13422	1.8
399.14490	1.9
453.29825	2.5
476.33786	6.0
501.32553	7.0
537.24304	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	536.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34636	1.6
59.01384	8.1
61.36215	1.6
61.98830	100.0
62.10578	1.7
69.35465	12.8
71.01384	5.4
89.02449	3.8
91.01912	4.2
97.02944	2.5
99.87707	1.9
101.02429	3.3
109.02951	7.1
111.87179	1.7
113.02491	1.7
125.02452	7.3
133.02925	6.9
135.00896	4.7
135.04523	51.8
136.04836	2.0
148.05283	2.8
148.11470	1.6
149.06062	8.5
153.01924	15.8
155.37953	1.9
161.02431	43.1
162.02797	3.3
169.01393	5.3
177.05582	19.3
179.03497	71.3
180.03873	2.5
191.05505	3.6
203.03441	1.7
221.04562	37.2
233.04672	1.5
251.05605	38.6
280.25873	1.7
281.06650	59.8
282.06891	4.4
323.07535	3.9
327.47458	1.9
341.08755	62.0
342.09430	1.7
343.67807	1.8
473.14621	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	535.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57154	0.7
51.76170	0.6
59.01380	100.0
60.01707	0.6
61.98831	2.2
71.01332	0.6
73.02943	0.6
75.00858	0.7
78.95900	1.8
85.02957	2.1
93.03473	1.1
134.03738	0.7
135.04521	1.1
137.02469	0.8
139.00371	0.7
152.99617	2.1
156.20497	0.7
161.02457	1.5
164.42958	0.6
173.04683	0.7
191.05612	12.8
207.16470	0.8
209.11905	1.4
227.03470	0.7
227.09264	0.7
227.12863	1.2
291.19638	1.7
307.19180	0.7
353.13901	1.1
357.67551	0.6
475.34451	2.4
491.34039	1.3
535.33142	2.4
536.24365	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	535.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48558	0.6
59.01379	100.0
60.01712	0.6
60.03562	0.6
60.35185	0.5
61.98827	7.6
62.03308	0.6
65.27560	0.6
67.01876	0.6
69.20752	0.8
69.21161	5.3
71.01386	1.3
78.95912	1.3
79.95735	1.7
80.96532	1.0
86.95433	0.7
87.00895	1.2
87.45546	0.6
93.03487	2.5
101.02424	0.8
105.27107	0.7
111.56932	0.5
125.02513	0.9
133.03004	0.8
135.04529	3.9
152.99667	1.0
156.86076	0.6
160.43456	0.7
163.04004	4.4
166.76599	0.5
178.06320	4.2
179.03688	0.6
191.05597	4.8
193.08681	6.7
253.14722	0.7
302.59674	0.6
373.16623	1.2
379.52676	0.6
455.32153	1.1
475.34290	27.5
476.34677	2.6
535.23230	1.0
535.32751	10.3
536.33215	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	535.3275
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
55.01860	1.0
55.62804	0.9
56.42341	1.0
57.03434	4.2
59.01368	1.1
67.01871	1.1
69.03453	22.6
71.01373	2.2
71.05017	5.1
76.71054	0.8
78.95884	1.8
81.03454	1.1
83.05022	1.9
93.03398	1.2
95.01393	1.0
95.05032	1.9
97.02959	1.9
97.06585	4.2
98.20762	1.8
108.02165	1.9
109.02972	0.9
109.06566	1.1
111.04531	1.4
111.08126	1.8
123.08166	5.4
124.04810	1.1
125.09750	9.9
127.11250	1.8
129.09207	2.3
133.06578	1.5
133.10295	1.0
135.08098	1.7
137.09717	2.3
149.09697	3.5
151.11282	17.3
153.12857	7.8
153.68947	0.9
161.09721	34.5
169.12326	1.3
179.10770	90.5
180.11104	3.7
181.12358	9.4
191.05661	5.4
192.05998	1.2
197.11819	80.6
198.12111	3.4
199.13420	2.5
223.09790	6.5
224.52641	0.9
228.13545	1.0
241.10803	74.8
242.11124	3.5
248.74162	1.0
249.22333	2.2
265.21704	2.0
293.21219	13.2
311.22278	68.1
312.22687	4.1
422.72073	1.1
455.31940	1.2
473.32956	4.3
491.33835	1.6
517.31732	3.7
534.77289	1.4
535.32764	100.0
536.33148	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	535.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73833	0.7
54.92558	0.8
56.70938	0.7
57.03445	0.9
59.01378	100.0
60.01706	0.8
61.98827	2.2
67.09982	0.8
71.01369	1.1
71.51917	0.9
71.52293	1.1
78.95889	1.2
82.08391	0.8
83.05046	1.0
99.00874	1.2
109.06601	1.5
111.08159	1.1
123.00350	0.8
123.08160	0.9
127.47480	0.8
141.09224	1.5
149.09645	1.2
152.99544	1.0
167.10770	1.4
185.11786	0.9
191.05605	1.8
209.11781	4.4
211.09682	1.8
229.10796	3.2
287.23859	2.0
289.18005	1.0
305.17514	3.7
305.24841	1.6
313.21494	0.8
323.18747	3.6
327.86658	0.8
331.22821	4.3
347.25848	1.7
349.23880	2.1
357.20776	0.7
375.21542	1.8
393.22787	24.9
394.23068	2.0
409.26093	1.9
473.32816	2.6
475.27386	1.6
475.34076	18.6
491.33649	5.3
517.31598	1.2
535.32825	24.4
536.33447	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	535.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01368	3.2
61.98833	1.4
69.45277	1.5
69.45682	4.1
85.02943	1.4
87.86852	0.6
95.05015	0.9
97.02944	1.1
97.06602	0.8
111.08186	1.9
112.11990	0.7
121.06680	0.7
123.04504	1.9
123.08190	0.8
125.06113	0.7
125.09743	2.0
137.09695	1.3
141.54684	0.7
149.06155	1.0
153.09180	2.0
163.11275	2.7
165.12839	26.9
166.13165	1.5
171.10251	2.2
181.12355	2.3
183.13885	100.0
184.14188	3.5
185.11807	3.4
191.05612	3.0
191.14429	3.4
197.11844	0.9
207.10214	1.6
209.11826	5.8
225.11290	3.1
227.12869	98.8
228.13237	4.7
240.61667	0.9
243.12335	1.1
245.19055	6.4
271.17096	1.5
289.18063	26.3
290.18643	0.8
291.19693	0.9
307.19113	27.6
308.19421	2.1
309.20761	1.4
325.20166	5.0
499.30811	1.1
517.32813	1.4
535.32385	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	535.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
57.14428	0.8
59.01374	3.7
61.98824	2.8
64.86898	0.9
65.87751	0.9
71.01360	0.9
71.04999	3.0
71.45378	1.2
76.56161	0.8
78.95895	1.0
83.05012	2.0
85.02976	1.0
90.44196	0.9
93.03440	1.3
95.05022	1.1
97.02951	5.1
97.06577	3.0
99.00880	19.6
109.06601	2.1
111.08160	1.2
122.94774	1.0
123.08175	1.4
125.09720	7.0
135.08199	1.1
136.05229	0.9
142.02711	2.4
153.12840	1.2
155.10779	1.0
160.09312	0.9
161.66772	0.8
163.11292	8.9
165.12791	1.1
181.12337	21.9
185.30034	0.9
191.05659	4.4
197.11757	3.0
199.13373	11.4
207.10248	40.4
209.11867	1.5
225.11311	56.1
226.11671	2.4
227.12857	1.0
227.31778	0.9
243.12354	100.0
244.12608	4.2
247.20586	1.4
281.61682	0.9
291.19687	12.3
292.20065	1.8
307.18985	1.1
309.20703	49.7
310.21024	3.0
325.20245	1.5
341.95154	1.4
344.17484	0.9
437.87668	1.0
491.34183	1.4
499.30637	1.1
517.31653	9.4
535.25262	0.9
535.32709	27.1
536.24939	1.1
536.33026	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03432	1.7
59.01373	0.9
64.63770	0.6
69.03457	0.6
69.32797	1.0
69.33124	4.6
71.01374	0.9
71.05016	3.3
81.03474	0.4
83.05044	0.7
95.05014	0.8
97.02936	3.6
97.06593	2.4
99.00876	16.9
109.06571	1.7
110.03728	0.8
111.08137	2.0
123.08134	1.6
125.09723	7.8
127.11253	1.4
142.02753	1.2
151.11348	1.0
153.09235	0.8
153.12839	3.1
155.10696	1.2
163.11272	7.4
165.12929	0.6
167.10776	1.2
169.12277	0.9
179.10756	0.7
179.14403	1.4
181.12334	18.8
182.12709	1.1
193.15985	0.5
197.11844	2.7
199.13373	4.9
207.10239	19.8
207.13834	1.5
208.10439	1.3
209.11784	0.8
215.12842	1.0
225.11298	34.3
226.11732	1.5
227.12845	1.0
228.13670	0.8
243.12352	46.0
244.12677	2.0
247.20708	3.2
265.21671	0.6
273.18591	1.9
281.21146	1.5
291.19644	20.0
292.19913	1.5
309.20691	100.0
310.21060	7.8
343.12970	0.7
431.74747	0.6
455.31668	1.1
517.31671	7.2
535.32745	23.0
536.32550	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	535.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03428	0.7
59.01381	14.4
61.98827	2.8
62.19406	0.5
66.04488	0.6
69.03437	0.7
69.27393	5.0
71.01384	10.2
72.99309	1.7
73.02947	3.6
75.00851	1.2
78.95898	0.7
80.96524	1.0
83.01379	2.2
85.02955	6.1
86.00114	0.8
87.00877	5.4
88.00395	0.6
89.02421	3.2
93.03454	1.6
95.01397	0.7
97.02934	1.1
99.00879	1.4
101.02425	4.9
105.03390	0.6
108.02163	1.6
108.65933	0.5
109.02993	1.3
111.00865	0.8
113.02438	3.5
119.03400	1.0
122.03715	1.9
123.04533	5.5
125.02408	1.6
133.02986	0.9
135.04483	1.8
135.11659	0.7
137.02440	1.9
145.02960	0.7
147.04478	0.6
149.02426	0.7
151.04001	2.7
152.01147	0.7
156.90416	0.6
158.36098	0.6
161.02455	11.4
161.04510	0.8
162.02969	0.7
163.03960	1.4
164.04715	2.8
165.05556	1.0
173.04532	1.3
179.03470	0.9
179.07146	1.0
179.10689	0.8
182.08662	0.6
191.05598	9.1
239.75070	0.6
241.08566	0.7
266.05847	0.8
267.06461	0.9
279.06531	0.7
281.08011	0.6
283.06067	0.7
284.06860	1.6
293.08142	0.8
297.07538	0.9
299.09216	2.2
307.09866	0.7
310.08423	1.1
311.09213	1.9
312.09940	1.8
313.10840	0.8
314.11511	2.8
325.10767	1.6
325.87143	0.6
326.11060	1.2
327.12299	3.6
328.09451	3.5
328.12894	0.9
329.10272	1.0
341.13995	0.8
343.11832	4.8
344.12515	1.8
345.13370	0.6
358.14258	8.3
359.14938	4.5
373.16577	9.0
374.16852	0.9
387.14429	1.3
473.32611	0.9
487.15848	1.0
490.14883	2.5
505.17178	5.2
519.19165	0.8
520.19507	7.5
535.21802	100.0
536.14423	0.8
536.22192	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	535.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
60.17434	0.2
61.98819	0.4
67.01883	0.2
71.01387	0.5
73.02947	0.2
78.95896	0.4
79.95726	0.2
80.96505	0.3
81.03455	0.5
85.02954	0.2
87.00905	0.3
89.02442	0.3
89.03973	2.3
93.03477	0.9
95.05016	0.3
96.96009	0.3
97.67365	0.2
98.20646	0.4
101.02436	0.3
102.52387	0.2
104.02676	0.3
105.03461	4.0
106.27058	0.2
107.01425	0.2
109.02937	0.4
121.02962	0.3
125.02437	0.2
133.02960	8.6
134.03287	0.2
135.04498	0.4
137.02382	0.2
139.03986	0.2
148.01665	0.4
149.02382	0.9
161.02454	0.3
163.04034	0.9
164.60353	0.1
167.03493	0.6
176.01183	1.0
177.01926	100.0
178.02261	3.7
178.06331	0.5
179.03548	0.2
183.14038	0.2
191.05624	1.4
193.08679	0.5
213.14935	0.7
219.02910	0.2
277.53348	0.2
413.99884	0.2
535.21863	12.0
536.22211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
57.95018	1.2
59.01377	13.6
60.11463	1.2
61.98829	21.1
64.44769	1.2
64.99770	1.1
66.91846	1.1
67.01868	2.0
71.01372	10.6
71.53963	1.6
73.02930	2.4
74.37003	1.1
78.95893	1.9
79.95730	2.5
80.96553	6.0
80.96938	1.9
83.01379	1.9
85.02956	10.0
87.00841	3.0
89.02428	3.3
93.03470	7.9
95.01378	2.2
97.02934	1.6
98.24932	1.1
99.00855	1.6
101.02443	7.3
105.03394	1.9
108.02137	2.0
109.02934	5.1
111.00857	3.0
112.41679	1.0
113.02414	4.1
119.03413	1.1
119.05029	1.3
121.02946	1.7
123.00892	7.4
124.01665	5.7
125.02412	2.0
133.02962	26.0
134.03691	1.5
135.04532	10.4
136.01671	13.5
136.04771	1.9
137.02478	5.9
138.03197	1.9
139.00356	2.8
139.04002	1.9
151.00389	6.4
151.03998	20.1
152.01192	5.3
153.01932	1.5
161.02434	79.5
162.02693	1.6
163.03989	3.4
163.07565	1.7
164.04730	4.0
165.05600	6.9
166.02715	18.4
167.03532	5.5
173.04507	2.7
175.07625	3.1
176.08423	1.3
177.01938	12.7
178.02579	1.1
179.03525	6.8
179.07043	3.1
181.05063	26.1
190.06326	1.9
191.05605	37.9
191.07126	4.2
192.05992	2.7
203.07147	2.2
205.08670	1.6
209.11874	1.5
215.05194	1.1
325.10699	2.6
340.13049	1.3
341.13220	1.3
343.11832	3.3
349.38055	1.2
355.15652	2.0
358.14221	9.9
373.16531	100.0
374.16766	8.2
375.06299	2.8
440.15948	1.6
505.18372	2.8
517.18054	2.9
518.64270	1.2
535.25360	44.4
536.18585	2.3
536.25891	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	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64098	1.1
55.01874	1.4
56.12069	0.8
57.03435	1.1
59.01383	12.4
60.99280	1.3
61.98839	5.7
62.26147	0.9
65.00354	1.0
68.18770	0.8
68.99817	1.3
69.03452	2.6
71.01382	19.6
71.05014	1.4
71.54143	1.3
72.99269	1.4
73.02954	5.5
75.00836	1.0
81.03448	2.5
83.01392	4.9
83.05023	3.1
85.02951	14.5
87.00869	2.6
88.98801	3.0
89.02445	3.7
93.03467	5.4
95.01398	3.5
96.96020	1.0
97.02939	3.2
99.00877	2.0
99.04516	8.9
101.02433	10.8
101.26014	1.2
107.05004	1.8
108.02180	19.5
108.02897	1.5
109.02230	1.6
109.02959	30.1
111.00844	0.9
113.02454	11.5
119.05085	2.2
121.02985	3.9
122.03741	57.1
123.04528	100.0
124.01741	1.1
124.04837	1.8
125.02460	4.5
127.04008	1.7
133.02965	1.7
135.04527	5.2
135.11809	20.3
135.13310	1.1
137.02437	21.0
143.03539	1.0
149.02461	1.4
149.06049	1.9
152.07170	1.4
159.02931	1.6
161.02425	4.2
161.04562	13.0
161.09703	3.2
163.03966	2.1
165.05536	2.4
169.01404	1.4
173.04478	2.5
177.01842	1.5
179.03508	3.2
179.10765	51.0
180.11113	2.2
187.07597	1.5
191.05617	12.6
192.05949	1.2
199.53418	1.1
203.00174	1.0
213.05600	0.9
215.07033	1.1
223.09782	1.6
285.09787	1.0
289.10760	1.0
294.25897	1.2
301.07111	1.6
302.07544	3.6
323.15033	4.8
359.04047	4.0
367.13815	1.2
373.16638	1.6
403.24789	1.5
447.20258	1.4
460.18750	2.7
473.32562	3.7
491.19238	8.6
492.19485	1.6
504.17786	3.5
535.18152	19.1
535.31165	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	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
59.01375	11.8
61.98820	5.3
66.51953	0.9
68.80875	1.0
68.99799	1.9
69.03449	2.2
69.53882	2.7
69.54278	5.6
71.01380	20.9
71.05015	1.9
72.99307	1.2
73.02942	6.8
81.03459	2.5
83.01393	3.6
83.05032	2.9
85.02944	13.7
87.00871	3.9
88.98806	4.2
89.02444	2.6
93.03459	7.0
95.01398	1.9
95.05038	1.1
96.96030	2.2
97.02948	3.6
99.00895	2.3
99.04523	9.4
101.02451	10.4
105.96200	0.9
107.04990	1.5
108.02164	21.6
109.02957	23.0
111.00898	1.3
111.04516	1.4
113.02450	11.5
119.05016	3.3
121.02938	6.4
122.03738	56.5
122.06129	1.6
123.04525	100.0
124.01643	1.0
124.04848	2.8
125.02404	4.0
127.03994	1.7
133.10210	1.4
135.04510	4.7
135.11797	19.8
137.02438	20.8
143.03513	1.0
149.02556	1.1
151.04028	1.3
152.07219	1.5
161.02490	5.6
161.04552	13.0
161.09688	2.5
163.03993	2.2
165.05559	2.9
167.03537	1.4
169.01360	2.0
173.04492	3.0
179.03537	2.1
179.10759	53.9
180.11072	2.0
183.13965	1.2
191.05571	11.4
200.28972	1.2
201.12790	1.0
275.62677	1.2
285.09781	2.0
295.11050	2.2
302.07516	2.5
323.15036	5.3
359.04068	3.9
403.24939	1.3
420.20178	1.1
430.59137	1.3
447.20325	1.8
460.18839	3.1
473.32718	3.1
477.78061	1.2
487.76648	1.0
491.19318	10.0
492.19556	1.5
504.17529	3.0
535.17871	19.4
535.31067	9.2
536.18402	1.7
536.32489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23131	0.4
59.01374	4.9
61.98833	0.6
62.76587	0.4
67.01888	1.3
68.99806	3.0
69.03455	6.2
70.50925	0.4
71.01369	2.4
71.52717	0.4
73.02925	0.6
76.03490	0.4
81.03445	0.6
83.01402	0.4
83.04989	0.7
85.02950	11.3
87.00876	2.3
89.02439	1.2
93.03457	5.4
95.01392	1.1
95.05019	0.7
96.96026	0.6
97.02948	6.6
99.04523	0.5
101.02419	1.0
108.02203	0.4
109.02956	1.3
111.00865	3.1
111.04507	2.3
113.02432	1.0
119.03502	0.6
121.02960	2.0
125.02435	0.5
127.04041	2.4
128.03537	0.4
131.05017	0.5
133.02946	1.5
134.03729	1.2
135.04518	4.3
136.04855	0.5
137.02484	0.6
139.00357	1.1
139.03998	10.8
139.05029	0.8
145.02936	0.7
147.04568	0.8
149.04570	0.5
155.03534	0.7
157.02901	0.4
158.03746	1.4
159.04515	12.1
160.04881	0.5
161.02444	4.1
161.06036	0.8
162.02794	0.6
171.03003	0.9
172.05350	0.5
173.02374	0.5
173.04552	4.0
174.03224	2.4
174.04515	0.4
175.02547	0.7
175.03993	10.7
177.01926	0.5
179.03467	1.5
183.02980	0.8
183.04512	1.2
183.06494	0.4
185.02373	0.9
185.06052	2.8
186.03246	1.2
187.03995	27.1
188.04391	1.0
191.05598	100.0
192.05988	2.7
193.06421	0.7
196.05185	0.9
200.04659	0.6
201.05542	8.5
201.07307	0.6
202.05864	0.4
203.03499	1.7
203.07135	0.6
209.06049	1.5
210.06847	0.8
211.03990	1.3
211.07605	8.0
212.08186	1.0
213.05547	1.1
221.06158	0.9
222.06833	2.7
225.05510	0.9
225.09125	0.6
227.03215	0.4
227.07162	2.0
227.10745	4.4
228.10927	0.4
229.05031	9.5
236.08414	0.8
237.05539	1.8
237.09195	7.1
238.06256	0.9
239.07149	3.7
240.07813	1.3
252.04356	1.4
253.05006	2.0
253.08696	1.8
254.05849	0.8
255.06610	12.3
255.10242	8.9
256.06857	0.7
263.07101	1.1
264.04138	0.9
265.05035	10.7
266.05402	0.9
271.09668	0.8
281.08154	8.2
282.08392	0.6
283.06046	1.4
297.07645	1.7
299.09213	25.2
300.09595	1.9
306.07553	0.7
307.07635	0.7
315.08582	2.1
325.07123	1.5
343.08173	11.6
377.08801	1.2
457.11383	5.2
473.14853	0.9
503.16296	0.6
535.14349	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72361	0.2
57.03459	0.3
59.01381	6.8
59.15058	0.2
61.98830	1.1
69.03455	3.7
69.36836	1.8
71.01384	4.4
72.99309	0.6
73.02948	0.7
75.00863	0.2
81.03446	0.3
83.01393	0.6
83.05034	0.3
85.02927	2.1
85.09238	0.2
87.00874	1.3
88.00408	0.3
88.93575	0.2
88.98801	0.3
89.02442	3.7
89.03961	0.3
93.03446	1.2
95.01387	0.4
97.02948	4.3
99.00892	0.3
99.04510	0.6
101.02440	2.3
105.03452	0.9
108.02180	1.3
109.02946	1.7
113.02464	1.7
117.03452	0.2
119.03473	1.1
119.05022	0.4
121.02947	0.5
121.06598	0.2
122.03735	4.1
123.04525	6.9
125.02442	0.5
132.02147	1.7
133.02954	28.7
134.03300	0.4
135.04518	2.0
135.11809	0.3
137.02438	1.5
141.01910	0.2
143.03485	0.3
149.02455	0.3
149.06087	1.8
152.01128	0.3
159.02933	0.3
161.02435	100.0
162.02788	3.8
165.05487	0.3
167.03465	0.6
167.07109	0.4
173.04497	0.3
179.03523	1.0
179.05591	0.2
179.10786	2.8
191.05634	1.7
193.05032	2.8
211.13304	0.3
285.09854	0.2
373.11343	8.3
374.11566	0.5
402.02658	0.2
475.29214	0.2
491.18985	0.8
535.18231	1.1
535.25293	12.8
535.31305	0.9
536.25818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46364	0.3
59.01104	0.6
59.01380	6.8
62.67970	0.3
63.40971	0.3
66.34486	0.3
69.03458	5.0
69.42863	2.1
71.01392	3.4
73.02967	0.4
83.39481	0.3
85.02956	0.7
89.02447	4.4
93.03466	1.5
95.01405	0.4
97.02946	6.6
97.03569	0.4
98.19871	0.4
101.02441	2.0
105.03443	0.8
107.06400	0.4
113.02458	1.3
115.01879	0.5
119.03515	1.5
123.04544	1.6
132.02185	1.7
133.02953	28.7
134.03340	0.7
135.04536	0.9
141.01929	0.5
147.04530	0.3
149.06056	2.0
159.60762	0.4
161.02435	100.0
162.02774	2.9
167.07121	0.8
179.03479	0.5
179.05559	0.6
193.05035	4.1
213.42523	0.3
364.26877	0.3
373.11377	11.7
374.11649	0.6
535.14618	1.2
543.20013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
62.18657	0.7
67.01890	1.4
68.99809	4.3
69.03455	6.8
71.01382	2.1
71.29437	1.4
77.23312	0.8
83.05017	1.0
85.02947	11.5
87.00883	3.2
93.03462	5.3
95.01358	1.1
97.02946	7.5
109.02937	1.0
111.00883	3.4
111.04520	2.7
121.02959	2.5
127.04002	2.9
129.07089	0.7
135.04475	0.8
139.00348	1.6
139.04004	10.6
146.70070	0.9
158.03729	1.6
159.04512	11.7
161.02431	1.8
173.04555	3.2
174.03178	2.3
175.04004	12.0
183.02901	1.5
183.04446	0.9
185.06035	3.9
186.03285	1.4
187.03989	30.4
187.05608	1.7
188.04384	1.6
190.02838	0.8
191.05602	100.0
192.05960	3.4
201.05551	9.4
203.03464	2.5
206.82570	0.7
209.06136	1.2
210.06763	1.3
211.04013	1.9
211.07587	8.2
212.08289	1.0
222.06859	3.1
224.04662	1.2
225.09300	1.2
227.07172	1.9
227.10667	4.0
229.05005	10.4
237.05533	1.0
237.09181	8.5
238.06204	1.2
239.07108	4.0
240.08098	0.8
253.05081	1.9
253.08641	2.5
255.06625	14.4
255.10231	9.9
263.07108	1.2
265.05066	11.4
281.08185	9.2
283.06198	2.2
297.07645	2.2
299.09213	25.5
300.09482	2.2
315.08923	1.6
343.08154	12.8
422.19702	1.0
457.11319	5.4
535.14282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.6
61.98817	2.2
67.01871	2.8
68.99805	2.5
69.03455	13.4
71.01376	8.4
71.53865	1.5
72.99301	1.5
73.02943	1.6
75.86255	0.9
83.01391	1.2
85.02946	11.3
87.00883	4.4
89.02436	8.6
93.03461	13.2
95.01363	1.3
95.05014	2.6
96.95985	3.9
97.02948	4.3
99.00876	1.0
100.46267	0.9
101.02433	4.6
105.03456	1.2
107.05025	1.1
108.02180	1.2
109.02924	3.3
111.00859	2.9
111.04514	3.4
113.02443	5.1
115.42471	0.9
117.03447	3.1
119.03510	2.5
119.05036	4.5
120.65875	0.9
121.02959	3.8
121.06630	1.4
123.00874	2.4
123.04517	1.4
124.01678	2.3
125.02443	2.6
127.04005	2.1
133.02954	10.7
134.03670	1.0
135.04524	24.3
136.01625	4.8
136.04851	1.2
137.02385	1.4
139.00369	1.2
139.03986	7.5
143.03494	1.1
145.02948	15.1
147.04469	0.9
149.06038	1.0
150.03224	1.1
151.04001	11.0
152.01115	1.6
153.02075	1.0
158.03723	1.3
159.04480	8.0
160.01620	1.0
160.05307	4.8
161.02443	4.5
161.05989	1.5
163.03992	8.4
165.05519	1.4
172.05316	1.2
172.83896	0.9
173.04616	6.8
173.05942	1.6
174.03168	1.4
175.03928	6.6
175.07632	4.9
177.01875	2.9
178.02670	1.0
179.03482	9.7
179.05563	1.7
180.04134	1.9
181.05070	1.3
183.02934	1.2
185.06021	1.9
186.03197	1.1
187.03992	20.5
188.04700	4.4
190.02719	1.1
191.05603	100.0
192.06006	4.5
196.05579	1.0
198.60072	1.0
201.05585	6.0
203.03517	1.7
203.07129	5.5
205.05125	1.5
209.67024	0.9
211.07584	5.5
215.05574	2.8
216.05827	0.9
222.06889	2.3
227.07137	1.4
227.10745	3.6
229.04962	6.3
237.05562	1.6
237.09215	4.2
238.06232	1.1
239.07162	3.3
241.71011	1.1
253.08609	1.4
254.05742	0.9
255.06563	7.9
255.10223	7.3
265.05066	8.4
279.06683	1.1
281.08209	5.8
283.05997	1.3
299.05963	1.7
299.09225	18.9
310.08661	1.9
325.10797	11.6
342.09579	1.1
343.08209	8.4
351.07260	8.1
352.07623	2.0
353.08847	1.5
355.11801	3.3
358.10458	1.7
367.10901	1.0
373.13071	6.9
421.11224	1.1
457.11319	1.5
482.56653	1.1
491.15616	5.2
535.03357	1.8
535.17780	18.3
536.18762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.348
Annotation	Agosterol F
Peak:m/z	Relative Intensity
51.94424	0.4
52.46115	0.4
53.76924	0.4
59.01377	100.0
60.01718	1.0
60.27603	0.5
61.98837	0.8
65.14536	0.4
71.05016	1.7
74.53366	0.5
78.95925	0.5
89.33620	0.4
95.05038	0.6
98.19925	1.0
111.04536	1.6
112.05257	0.5
117.87294	0.5
130.76038	0.6
146.71660	0.5
191.05707	0.9
270.11230	0.6
291.81744	0.5
335.23981	0.9
389.28046	0.7
401.27188	1.7
407.29578	1.3
438.54947	0.5
453.30289	2.4
455.31744	0.9
459.15833	0.5
473.32681	58.5
474.33081	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	535.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.7
59.01376	3.2
60.99275	0.8
67.01880	1.4
69.03452	13.7
71.01391	2.6
79.01884	1.5
85.02942	2.8
87.00866	1.0
89.02431	1.4
93.03458	3.0
95.05034	1.6
97.02948	100.0
98.03292	2.2
101.02457	1.7
105.03455	0.9
107.04987	0.7
108.02197	0.7
109.02924	1.8
111.04505	0.7
113.02455	1.1
119.05058	0.6
121.02954	1.1
123.04518	12.3
132.02167	1.0
133.02954	15.8
134.03705	0.7
135.04515	13.8
135.98344	0.6
137.02397	1.0
139.03955	0.9
141.01942	9.1
149.02403	0.9
149.06070	3.6
150.03261	0.8
159.04517	1.1
160.01653	0.6
161.02435	52.7
162.02818	1.5
167.07137	4.4
173.04562	1.8
175.02565	0.7
175.03996	2.1
177.01981	0.6
177.05580	2.4
178.02679	1.1
179.03490	9.1
180.03902	0.7
187.04001	1.5
191.05603	23.1
192.05988	0.9
193.05096	1.9
201.05594	0.9
203.03551	3.6
211.07771	0.8
221.04520	2.0
229.04985	1.2
237.09309	0.8
239.07202	0.9
251.05586	2.0
255.06564	1.0
255.10411	0.7
265.05090	0.9
281.06686	1.8
299.09201	2.2
307.08035	0.6
315.58456	0.5
323.07648	1.8
329.13846	1.6
341.08798	0.7
343.08063	1.4
355.11902	0.7
373.11053	2.7
491.15726	2.6
492.16580	0.6
535.14569	48.3
536.14777	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10568	0.5
59.01378	7.5
60.99295	2.3
61.98826	3.4
65.36211	0.6
71.01382	7.8
72.01707	0.5
72.39632	0.5
72.99310	0.6
73.02948	2.8
73.23248	0.4
83.01384	1.2
85.02946	3.8
87.00862	0.8
88.98813	2.0
89.02428	4.9
91.02896	0.8
92.06207	0.6
93.03434	0.7
96.96011	0.6
98.20694	1.1
99.00867	1.8
101.02444	5.3
102.02763	0.6
113.02422	3.0
119.03532	0.8
119.05014	1.5
125.02470	0.6
131.03523	0.9
133.02969	0.9
135.04509	1.0
139.03992	1.2
145.02980	0.7
146.53416	0.6
149.04556	1.1
155.03497	0.7
157.01419	0.7
159.02991	1.0
160.09454	0.5
161.02451	1.8
161.04565	1.9
163.03999	1.0
165.05582	1.3
169.01373	1.1
173.04489	0.6
179.03453	0.5
179.10815	3.0
191.05624	5.2
198.21114	0.6
234.06873	0.5
249.97443	0.6
309.80618	0.5
323.07700	0.5
327.21576	0.6
363.26917	0.9
377.28369	0.9
397.30753	0.6
401.25281	3.2
402.25769	0.6
409.31320	1.2
425.27066	3.8
432.00134	0.6
436.74448	0.6
439.28473	9.8
440.28726	0.7
441.30087	10.6
442.30585	2.0
455.28073	0.6
459.31116	9.1
460.31665	1.0
471.31088	7.9
472.31665	0.9
473.29221	0.8
485.29126	7.0
486.29199	0.7
503.30112	26.0
504.30515	4.0
533.31104	100.0
534.31458	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	533.3122
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
59.01379	10.4
61.98822	3.1
71.01363	0.8
71.05004	2.2
71.53024	0.7
74.48675	0.5
78.95900	1.9
85.02934	0.9
87.00854	0.5
89.02386	0.5
92.40733	0.5
93.03452	1.0
101.02449	0.7
129.49721	0.5
135.04532	0.8
137.54662	0.5
147.04512	0.6
152.99519	0.9
161.02374	0.8
171.10277	0.9
173.04401	0.5
175.11285	0.6
179.03477	0.6
191.05643	3.9
207.10121	0.6
218.91913	0.5
225.11128	0.6
310.65652	0.5
327.53897	0.5
381.28195	0.9
415.32352	0.8
421.27463	0.8
425.26892	2.4
427.31937	0.7
439.28519	12.8
440.28787	1.4
441.30090	11.4
459.25153	0.9
459.31195	10.0
460.31390	0.9
471.31110	8.2
472.31226	0.9
473.29144	1.7
485.29111	1.9
503.30142	34.3
504.30267	3.0
533.31177	100.0
534.31525	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3118
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
55.10568	0.5
59.01378	7.5
60.99295	2.3
61.98826	3.4
65.36211	0.6
71.01382	7.8
72.01707	0.5
72.39632	0.5
72.99310	0.6
73.02948	2.8
73.23248	0.4
83.01384	1.2
85.02946	3.8
87.00862	0.8
88.98813	2.0
89.02428	4.9
91.02896	0.8
92.06207	0.6
93.03434	0.7
96.96011	0.6
98.20694	1.1
99.00867	1.8
101.02444	5.3
102.02763	0.6
113.02422	3.0
119.03532	0.8
119.05014	1.5
125.02470	0.6
131.03523	0.9
133.02969	0.9
135.04509	1.0
139.03992	1.2
145.02980	0.7
146.53416	0.6
149.04556	1.1
155.03497	0.7
157.01419	0.7
159.02991	1.0
160.09454	0.5
161.02451	1.8
161.04565	1.9
163.03999	1.0
165.05582	1.3
169.01373	1.1
173.04489	0.6
179.03453	0.5
179.10815	3.0
191.05624	5.2
198.21114	0.6
234.06873	0.5
249.97443	0.6
309.80618	0.5
323.07700	0.5
327.21576	0.6
363.26917	0.9
377.28369	0.9
397.30753	0.6
401.25281	3.2
402.25769	0.6
409.31320	1.2
425.27066	3.8
432.00134	0.6
436.74448	0.6
439.28473	9.8
440.28726	0.7
441.30087	10.6
442.30585	2.0
455.28073	0.6
459.31116	9.1
460.31665	1.0
471.31088	7.9
472.31665	0.9
473.29221	0.8
485.29126	7.0
486.29199	0.7
503.30112	26.0
504.30515	4.0
533.31104	100.0
534.31458	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	533.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63740	0.5
55.01869	1.4
57.03455	4.8
59.01394	1.3
67.01886	2.2
69.03454	24.6
69.68828	3.7
71.01386	4.0
71.05032	4.4
78.95918	0.9
81.03466	1.6
83.05020	2.1
95.01377	1.1
95.05045	1.6
97.02957	2.1
97.06588	4.5
98.19901	0.9
99.00902	1.5
107.05002	0.8
108.02177	0.9
109.06592	1.7
111.08128	1.6
121.06599	1.1
123.08160	6.6
125.09713	12.5
127.07669	0.9
127.11274	0.8
133.06606	1.0
137.09694	2.2
138.29961	0.6
139.07716	0.6
149.09750	3.8
151.11281	20.1
152.11703	0.7
153.09187	1.3
153.12859	6.4
155.10782	1.0
161.09717	33.8
162.10063	1.6
163.11292	0.8
165.12828	1.3
167.10786	1.4
169.12317	1.4
177.09140	0.7
179.10767	100.0
179.14258	2.4
180.11072	3.8
181.12386	2.8
185.11853	1.1
196.89435	1.5
197.11823	88.4
198.12100	3.8
199.13380	1.5
207.13937	1.9
223.09764	6.7
227.12811	1.3
241.10812	82.5
242.11082	3.3
247.20700	3.3
263.20041	1.4
273.18542	1.8
281.21063	1.0
291.19644	24.4
292.20010	1.2
309.20700	59.1
310.21027	3.3
349.23535	0.8
362.20767	0.7
471.31238	2.9
489.32132	2.0
515.30066	7.2
533.31158	81.4
534.31714	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	533.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01378	1.9
67.01905	0.6
69.03459	8.7
70.28289	1.3
70.28653	0.9
71.01379	1.9
71.05023	4.9
78.95942	0.8
83.05031	2.0
95.05026	1.2
97.02940	0.9
97.06603	2.3
107.05031	1.0
108.02182	0.9
109.06580	1.0
111.08153	0.6
123.08171	3.0
125.06105	0.7
125.09709	5.4
135.08165	1.3
136.05334	0.6
137.09746	0.8
149.09726	0.9
151.11285	5.9
153.09225	1.2
153.12871	3.2
161.09709	10.2
163.11317	1.3
165.12875	3.4
179.10768	27.0
180.11104	1.1
181.12299	1.3
183.13982	3.1
185.11833	2.2
197.11823	100.0
198.12234	3.9
199.13403	1.6
207.10205	0.9
209.11797	9.2
210.95703	0.5
211.13448	0.8
223.09787	3.9
225.11359	1.4
227.12936	2.6
241.10809	89.2
242.11124	3.3
247.20650	1.3
273.18640	2.1
287.16617	0.6
289.17966	1.1
291.19650	15.8
292.19931	0.8
305.17563	11.7
305.20837	1.1
306.17853	0.6
307.19217	1.5
309.20700	15.2
310.21182	0.8
323.18600	6.8
363.25476	0.8
375.24982	0.7
437.25143	0.6
443.21896	0.5
471.31049	2.5
489.32278	2.1
497.29205	0.6
513.95221	0.7
515.30109	7.0
533.31152	72.2
534.31555	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	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03443	0.4
58.76289	0.3
59.01372	2.1
61.98826	0.8
68.99814	3.8
69.03448	1.1
71.01385	4.0
71.24608	0.8
72.71555	0.4
72.99313	0.8
73.02943	1.2
75.00856	1.4
81.03443	0.5
81.73008	0.4
83.01386	1.2
85.02943	5.0
87.00867	2.6
94.93803	0.4
95.01393	1.1
96.99290	0.8
97.02930	0.8
99.00866	3.4
101.02441	2.3
109.02908	0.6
111.00906	1.8
112.98817	0.4
113.02444	3.8
113.99584	12.9
115.00368	6.9
119.04984	0.4
125.02452	1.4
127.00378	2.1
129.01933	1.2
135.04489	0.6
139.00359	0.6
141.01869	0.6
157.01416	2.1
161.02426	0.5
169.01413	1.4
174.01680	10.6
175.02432	1.7
177.01895	0.4
181.10138	0.4
183.13950	2.2
191.05569	1.6
195.13890	1.7
213.14954	11.0
228.27846	0.4
259.04626	0.6
277.05713	1.2
301.07233	0.5
337.07693	0.4
473.20270	8.2
474.20535	0.5
533.22357	100.0
534.22656	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2951
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
53.15800	0.4
55.01878	2.4
57.03451	1.7
58.00576	0.7
59.01378	17.7
61.98820	1.5
67.01879	0.3
69.03461	1.1
70.00780	0.3
71.01380	37.3
71.53716	0.4
72.99300	1.2
73.02944	14.5
75.00880	0.7
77.17062	0.3
82.24577	0.3
83.01384	4.3
85.02948	16.6
87.00875	2.0
89.02441	13.4
90.02796	0.5
93.03468	0.3
95.01401	2.8
97.02945	1.6
97.42545	0.3
99.00878	6.7
101.02440	23.3
102.02770	0.5
104.74683	0.3
108.90572	0.3
111.00880	1.5
113.02448	14.0
115.04011	1.1
119.03467	2.0
119.05024	1.3
125.02460	2.9
129.01889	0.8
131.03477	2.3
133.02950	2.1
135.04515	1.3
137.02458	0.4
143.03482	1.5
149.04556	2.8
157.01376	0.6
159.02975	2.7
161.02483	5.7
161.04539	13.9
163.25038	0.3
173.04561	0.5
179.03426	0.5
179.05769	0.4
179.10725	0.4
191.05591	3.7
205.03482	0.3
233.06711	0.9
275.32089	0.4
293.08725	0.8
401.25446	11.6
402.25745	1.1
421.26010	0.4
425.26883	0.8
439.28415	1.2
441.30051	1.0
445.24411	1.3
459.31079	1.1
471.30853	0.5
503.30109	2.8
533.29791	100.0
534.30072	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50196	0.3
56.81039	0.3
59.01373	1.2
67.01887	0.5
70.77871	1.2
71.01366	0.6
74.18833	0.3
78.93199	0.3
79.78351	0.3
83.05021	0.6
85.02945	8.5
87.00842	1.8
88.93175	0.3
93.03455	2.9
109.02928	0.7
110.39297	0.3
111.04505	1.0
124.81636	0.3
127.04025	1.7
144.37811	0.3
150.66701	0.3
171.02919	0.6
173.04524	1.0
191.05595	100.0
192.05933	3.0
233.70671	0.3
397.37411	0.4
410.18149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19009	0.3
53.11024	0.3
55.41311	0.3
57.03441	0.5
59.01366	1.4
60.99296	0.5
67.01873	0.8
69.03464	0.5
69.49992	2.3
71.01373	1.4
73.02940	0.5
81.03458	0.5
85.02950	8.3
87.00891	2.6
93.03461	8.7
99.04491	0.4
101.02452	0.5
109.02914	1.8
111.04503	2.0
113.02496	0.4
123.04491	0.3
127.03997	1.9
135.04515	1.0
137.02412	3.1
159.04495	0.9
161.02435	1.2
161.06084	0.4
171.03004	0.4
173.04579	3.6
179.03418	0.5
191.05603	100.0
192.05927	2.6
204.63133	0.3
281.08383	0.5
282.08847	1.1
297.11331	3.0
298.11624	0.4
323.09271	0.7
341.10284	1.2
395.13510	0.6
515.15564	8.2
516.15820	0.8
533.16803	4.3
533.25305	0.5
556.81653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50568	0.1
52.78281	0.1
57.03431	0.2
59.01371	1.2
67.01881	0.4
69.03452	0.2
69.78485	0.3
69.78900	0.2
71.01377	0.7
71.31990	0.1
73.02941	0.3
75.74100	0.1
81.03457	0.3
83.05023	0.4
85.02946	9.3
86.03276	0.1
87.00868	1.9
87.88486	0.1
93.03455	3.2
94.03816	0.1
96.02154	0.1
99.04510	0.3
101.02422	0.1
108.02214	0.1
109.02950	0.8
111.04522	1.0
113.02438	0.1
125.02460	0.1
127.04007	2.2
135.37053	0.1
140.88976	0.1
145.02032	0.1
155.03421	0.2
171.02971	0.6
173.04532	1.0
191.05598	100.0
192.05931	2.9
262.50656	0.1
263.02350	0.1
266.18744	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	533.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
71.01375	0.7
83.04977	0.4
85.02947	5.3
87.00862	1.6
93.03465	3.8
109.02956	1.3
111.04520	1.0
117.03466	0.4
127.03989	1.5
133.02945	1.2
134.03760	0.5
135.04524	32.2
136.04852	0.9
137.02422	0.8
138.83325	0.3
152.63728	0.3
155.03505	0.8
161.02435	3.9
164.01688	0.3
173.04543	4.7
175.04022	0.6
176.33743	0.4
179.03471	4.3
191.05600	100.0
192.05931	2.7
197.04466	0.7
205.01350	0.6
206.89024	0.3
219.02901	2.4
229.12994	0.4
261.97144	0.4
341.06519	1.7
353.04520	0.8
353.08759	12.3
353.13129	0.6
354.09128	0.8
371.09787	10.4
372.10251	0.6
375.06604	0.3
464.28488	0.3
515.12036	0.6
533.12976	7.5
534.13220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.1
67.01895	1.4
69.03454	1.1
71.01394	1.2
72.99315	1.2
80.38344	0.7
81.03484	1.0
83.05042	1.1
85.02943	10.4
87.00875	3.2
89.03972	4.7
93.03470	10.2
96.96012	6.1
98.20734	1.5
109.02944	2.3
111.04536	2.8
117.03462	36.0
118.03829	0.9
123.04536	0.9
127.04000	2.6
129.51920	0.8
133.02959	7.7
134.03737	2.0
135.04520	88.1
136.04851	2.6
137.02454	1.2
146.03789	1.4
147.04503	1.6
149.19765	0.8
154.59489	0.8
155.03477	1.5
161.02438	23.7
171.03023	1.2
173.04541	20.7
175.03940	5.7
179.03491	15.9
184.90770	0.9
191.05605	100.0
192.05933	3.7
197.04562	1.4
205.01408	45.4
206.01720	1.3
219.02968	12.7
271.09830	0.8
297.07785	3.9
298.56836	0.8
315.08728	3.7
341.06625	41.0
342.07004	2.5
353.08640	5.5
359.07565	2.2
371.09744	11.3
400.85229	0.8
477.79813	0.8
515.11963	2.6
533.13019	18.4
534.13556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.35476	0.5
60.01700	0.5
61.98829	0.7
71.52094	0.7
76.40289	0.5
78.95891	3.3
87.86702	0.5
89.60740	0.5
101.94451	0.5
156.52805	0.5
167.65556	0.5
191.05656	0.7
196.89520	4.8
198.26152	0.5
293.68924	0.5
350.02744	0.6
531.28278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
58.00574	3.4
59.01378	65.2
60.01701	3.6
61.98829	18.8
71.01381	62.1
72.01711	5.0
72.99313	2.9
73.02947	16.2
75.50604	1.6
83.01377	3.1
85.02957	14.2
87.00871	6.6
89.02444	84.0
89.03963	2.1
89.85747	1.5
90.02782	6.0
93.03460	2.3
96.95990	1.9
97.02905	2.5
98.19909	3.3
99.00869	16.4
100.01234	2.2
101.02441	38.2
102.02779	2.2
105.03474	2.4
111.08142	6.0
113.02463	14.0
114.02773	2.4
119.03484	5.6
119.05032	61.1
120.05377	21.1
121.02940	2.2
125.02467	8.2
131.03503	23.8
132.03886	2.2
133.02980	8.9
135.04532	5.4
139.04070	2.2
143.03470	3.3
147.04509	1.9
149.04553	49.1
150.04851	6.2
158.57233	1.6
161.02464	9.8
161.04561	13.6
163.03996	44.8
164.04321	16.4
167.12752	1.6
169.01459	2.0
172.84586	1.7
173.04623	1.6
173.08180	2.1
176.01268	1.7
177.01915	100.0
178.02246	3.4
179.03484	3.6
179.10727	2.1
191.05606	25.7
192.05984	3.2
193.06190	1.7
223.98822	1.8
231.10167	1.8
233.06503	2.7
269.52612	1.8
350.69037	1.8
399.23694	4.6
400.23944	2.3
407.15286	2.0
469.11252	17.2
470.11536	1.9
502.07733	2.1
531.27716	11.1
532.28931	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	531.3324
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
51.44550	0.2
57.03391	0.3
57.26812	0.3
59.01379	1.5
61.98842	0.3
62.49796	0.3
63.39655	0.3
70.28593	1.3
83.44250	0.3
85.02959	0.3
86.29253	0.3
98.20534	0.4
102.27473	0.3
191.05586	0.5
213.60626	0.3
252.40411	0.3
268.12985	0.3
295.22775	1.0
361.25531	0.7
377.28485	1.8
393.27960	0.8
423.29260	0.4
471.25769	0.3
483.30869	1.5
531.33252	100.0
532.25574	0.6
532.33630	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78233	0.4
59.01378	100.0
59.22792	0.3
60.01707	0.7
70.02792	0.3
71.51824	0.4
75.02600	0.4
78.95908	1.1
93.03451	0.4
95.78940	0.4
108.21192	0.4
148.73340	0.4
152.99664	0.8
191.05649	2.1
194.90015	0.5
309.20764	0.4
345.85861	0.4
404.13522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01366	5.1
60.72747	1.0
69.03453	2.9
69.22559	8.6
71.05021	1.6
80.02663	1.6
81.03462	1.7
83.05036	1.9
85.02964	1.2
93.03449	1.5
95.05023	2.5
97.02962	2.8
97.06627	1.7
99.04509	1.6
109.02947	1.2
109.06567	1.9
111.08134	1.3
121.06553	1.6
123.04502	3.7
123.08159	2.7
125.09715	5.4
127.07685	1.6
135.08167	4.0
137.09700	4.1
141.05550	5.0
149.06088	1.6
153.09241	9.1
161.09683	1.2
163.11340	7.0
167.10715	2.7
171.10269	12.5
177.12811	1.8
179.10733	3.0
179.14423	2.2
181.12283	1.7
185.11784	7.6
191.05577	2.6
191.14403	9.1
195.13834	7.0
195.45543	1.2
197.11775	2.7
205.12311	6.8
207.10193	4.0
209.11827	8.1
217.15973	1.2
223.13382	48.1
224.13596	2.1
225.11308	4.5
245.19066	25.8
246.19456	1.4
271.17032	2.1
273.61243	1.4
289.18079	100.0
290.18295	8.2
307.19131	85.9
308.19470	6.3
325.20209	28.0
326.20572	1.6
341.21121	2.5
451.10043	1.2
495.14264	1.1
495.31158	2.2
513.32184	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	531.2803
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01876	4.6
57.03442	4.4
58.00592	4.8
59.01378	100.0
60.01721	1.0
61.98832	2.0
69.03445	2.1
69.24071	3.8
69.24498	1.9
71.01379	97.7
71.92144	0.5
72.99313	5.7
73.02943	17.5
73.03357	0.9
81.03458	1.7
82.95425	1.1
83.01384	10.6
85.02951	25.6
86.00116	0.9
87.00868	9.7
89.02442	99.3
90.02787	0.8
93.03447	1.7
95.01395	4.2
97.02943	4.6
98.19803	1.0
99.00879	6.4
101.02440	62.2
102.02760	0.7
111.00872	6.4
111.04501	0.8
113.02448	26.3
115.03996	1.3
119.03495	15.1
119.04926	0.8
123.04520	1.9
125.02454	7.6
129.01947	1.0
131.03500	38.0
133.02966	2.1
135.04529	2.3
137.92421	0.6
143.03514	5.3
145.03076	0.7
149.04556	46.7
150.04939	0.7
159.03000	2.2
161.02467	5.3
161.04538	13.5
163.03960	1.1
173.04521	1.1
177.05573	0.9
179.03503	3.1
179.05638	4.8
191.05605	18.0
192.05991	0.7
215.05611	0.7
221.04532	2.1
233.06656	4.7
251.05579	2.5
281.06769	3.0
291.15674	0.6
293.08749	1.6
297.22253	0.7
324.48654	0.6
341.08673	2.3
346.07114	0.6
358.86533	0.6
381.22745	1.1
399.23859	25.1
400.24252	1.7
469.29663	0.6
487.30731	1.8
502.50595	0.7
519.05933	0.8
531.28375	56.9
532.28650	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	531.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03448	0.4
59.01381	3.9
59.70893	0.4
61.98825	4.8
67.01898	1.8
69.03456	0.9
69.30926	3.2
71.01384	4.2
73.02946	1.6
81.03477	0.7
83.01397	0.5
83.05049	0.5
85.02947	10.6
85.03462	0.5
87.00881	3.1
89.02455	1.8
93.03458	12.7
98.19881	0.8
99.00883	1.1
99.04534	0.8
101.02445	2.5
104.61746	0.4
105.03443	0.6
107.05095	0.4
109.02950	1.0
111.04512	2.4
113.02460	1.3
117.03428	0.4
119.05037	3.1
120.99653	1.7
125.02440	0.8
127.04038	2.0
129.01912	0.5
131.03494	0.4
132.02159	3.5
133.02951	8.1
134.03758	0.9
135.04524	4.1
137.02467	0.6
149.04538	0.5
155.03479	0.4
160.01660	8.5
161.02438	16.2
161.04570	1.5
162.02837	0.4
163.04041	1.7
165.05588	0.7
171.03049	0.8
173.04546	5.6
173.06943	0.3
174.03194	0.5
175.04004	0.5
177.01900	2.5
179.03485	1.4
191.05606	100.0
192.05959	2.4
202.02737	0.7
215.05650	1.4
253.71439	0.4
305.50223	0.4
339.08713	20.9
340.09064	1.2
351.07263	5.1
353.08801	0.9
357.09891	1.0
367.10263	1.1
399.23892	1.7
450.14163	0.5
531.15027	19.7
531.27325	3.7
532.15430	1.7
532.28101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01369	2.1
59.10445	0.4
60.99308	1.4
61.98825	1.2
67.01891	3.5
69.03452	1.1
69.42709	2.3
69.43108	0.5
71.01373	3.3
73.02943	0.9
77.03967	0.4
78.95906	0.5
81.03453	1.1
82.17420	0.3
83.01374	0.4
83.05027	0.6
85.02950	8.7
86.33460	0.3
86.61458	0.3
87.00875	6.2
89.02444	1.1
93.03457	26.1
94.03800	0.4
94.98104	0.7
96.96021	2.1
98.20678	0.7
98.95594	2.1
99.00874	1.0
99.04524	0.6
101.02433	1.4
105.03452	1.3
109.02961	1.7
111.04536	3.0
113.02460	0.6
121.02942	0.5
123.04487	0.5
123.27326	0.4
125.02421	0.5
127.03999	2.1
129.01961	0.4
132.02158	3.4
133.02962	12.6
134.03761	1.8
135.04529	6.9
137.02417	1.0
139.29688	0.4
143.03503	0.4
146.03725	0.4
147.04488	0.5
149.06036	0.4
151.03995	0.7
155.03529	1.0
160.01645	7.9
161.02437	12.6
161.04576	1.0
162.02917	0.6
165.05565	1.1
171.02945	0.6
173.04538	9.9
174.03250	0.5
177.01929	3.8
178.02681	1.0
179.03535	2.6
179.07199	0.4
191.05603	100.0
192.05919	2.7
193.05031	1.1
215.05583	2.8
242.74171	0.4
266.66107	0.4
299.40265	0.3
308.08957	0.5
339.08691	22.3
340.08972	1.4
351.07184	8.1
352.07611	0.6
357.09717	1.4
367.10068	0.9
387.74823	0.3
399.23886	0.7
433.10400	0.5
480.08261	0.3
513.14142	0.6
531.15015	11.9
531.27563	3.4
532.15131	1.2
535.59821	0.4
552.81482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
61.98835	1.2
69.35859	4.4
78.95900	27.1
85.02949	1.4
87.00896	0.7
93.03441	1.3
96.96957	0.7
98.20650	0.6
116.92854	1.3
121.59111	0.6
142.82593	0.7
152.99583	2.0
153.20844	0.5
178.88419	14.5
179.89258	5.3
180.89990	7.9
180.91391	0.9
191.05623	4.1
192.05965	0.6
193.06078	0.6
196.89482	100.0
197.89505	4.4
209.11755	0.8
235.39853	0.5
252.92020	0.5
269.19510	0.5
277.21744	0.9
278.22253	0.7
279.22302	0.6
282.10623	0.6
400.15070	0.9
455.09308	1.3
471.34735	4.7
472.34857	2.3
473.35428	1.2
530.31390	3.5
530.75909	1.1
531.14410	6.2
531.30481	9.7
532.14429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88840	1.0
55.76397	1.2
60.99305	1.4
63.76181	1.1
67.01889	3.5
69.03445	2.3
69.28639	1.0
69.41756	8.3
71.01382	2.7
72.99310	2.9
73.02948	1.1
83.91223	1.1
85.02950	11.5
87.00882	6.9
93.03456	23.9
96.96020	1.5
97.06592	3.5
109.02953	6.8
111.04533	6.0
119.38937	1.0
125.02410	1.8
125.06075	14.0
127.04031	1.8
129.01956	1.3
133.02959	1.7
135.04543	2.9
136.01683	1.9
137.02406	1.3
143.07138	29.5
145.02892	1.5
147.04492	2.6
151.04015	2.1
155.03529	2.0
157.02972	3.3
159.04526	7.4
161.02496	1.9
161.06075	14.6
169.01488	1.5
170.90590	1.2
173.04550	14.6
175.04045	2.1
179.03500	2.1
180.68544	1.2
185.02466	1.4
191.05612	100.0
192.06023	3.4
201.01906	2.0
203.03459	1.8
205.05072	3.5
221.06296	1.2
229.01411	12.0
249.05580	1.9
267.06589	6.3
269.08267	1.6
277.04987	5.7
277.19113	1.2
278.06119	1.1
294.05585	1.4
295.06100	12.1
330.80728	1.2
339.05060	37.2
339.08356	1.8
340.05600	2.4
353.08798	2.4
357.09741	2.4
487.12384	2.5
497.55972	1.5
531.15179	46.1
532.15491	3.7
557.76593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.9
67.01882	2.5
68.98981	0.7
69.03448	0.9
69.70866	2.3
69.71268	1.6
71.01385	2.7
71.05034	1.0
72.99303	8.4
73.02966	1.0
73.07169	0.7
83.05015	1.2
85.02937	9.3
87.00864	6.4
93.03460	16.0
97.06584	9.2
109.02947	15.3
111.04523	3.3
119.05045	1.0
121.02947	2.3
125.06084	33.0
127.04021	2.5
129.03419	1.0
133.02931	1.5
135.04549	1.7
136.01666	1.9
137.02449	2.4
143.07137	96.1
144.51607	0.8
145.02933	5.0
147.04526	5.4
151.03975	1.9
155.03479	1.8
157.02893	4.7
158.03685	0.9
159.04517	9.0
161.02461	3.1
161.06036	5.0
163.03975	1.5
173.02435	2.7
173.04524	9.2
174.03091	1.0
175.03973	3.7
175.92656	0.7
177.34573	0.9
179.03500	1.2
185.02428	3.8
191.05603	97.5
192.05940	3.5
195.08162	1.1
201.01880	1.1
203.03487	1.7
211.07674	1.3
221.06075	3.0
224.04773	1.7
225.05539	0.9
229.01384	36.9
230.01979	1.9
233.05887	1.0
239.07126	3.4
248.04642	1.3
249.05478	6.7
250.06281	2.5
251.06964	1.2
253.05051	2.2
265.04974	1.1
266.05862	1.2
267.06604	14.9
268.06949	1.1
269.08313	1.8
277.05042	12.6
278.05713	2.6
279.02963	2.9
280.03683	1.0
293.04483	5.7
294.05353	3.3
295.06082	23.2
296.06442	2.0
313.07147	1.1
339.05066	100.0
340.05396	7.3
357.09988	1.6
420.45612	0.8
487.12305	2.3
531.14685	19.8
532.14545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.9
67.01882	2.5
68.98981	0.7
69.03448	0.9
69.70866	2.3
69.71268	1.6
71.01385	2.7
71.05034	1.0
72.99303	8.4
73.02966	1.0
73.07169	0.7
83.05015	1.2
85.02937	9.3
87.00864	6.4
93.03460	16.0
97.06584	9.2
109.02947	15.3
111.04523	3.3
119.05045	1.0
121.02947	2.3
125.06084	33.0
127.04021	2.5
129.03419	1.0
133.02931	1.5
135.04549	1.7
136.01666	1.9
137.02449	2.4
143.07137	96.1
144.51607	0.8
145.02933	5.0
147.04526	5.4
151.03975	1.9
155.03479	1.8
157.02893	4.7
158.03685	0.9
159.04517	9.0
161.02461	3.1
161.06036	5.0
163.03975	1.5
173.02435	2.7
173.04524	9.2
174.03091	1.0
175.03973	3.7
175.92656	0.7
177.34573	0.9
179.03500	1.2
185.02428	3.8
191.05603	97.5
192.05940	3.5
195.08162	1.1
201.01880	1.1
203.03487	1.7
211.07674	1.3
221.06075	3.0
224.04773	1.7
225.05539	0.9
229.01384	36.9
230.01979	1.9
233.05887	1.0
239.07126	3.4
248.04642	1.3
249.05478	6.7
250.06281	2.5
251.06964	1.2
253.05051	2.2
265.04974	1.1
266.05862	1.2
267.06604	14.9
268.06949	1.1
269.08313	1.8
277.05042	12.6
278.05713	2.6
279.02963	2.9
280.03683	1.0
293.04483	5.7
294.05353	3.3
295.06082	23.2
296.06442	2.0
313.07147	1.1
339.05066	100.0
340.05396	7.3
357.09988	1.6
420.45612	0.8
487.12305	2.3
531.14685	19.8
532.14545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.01386	2.9
69.03454	3.7
71.53603	1.5
72.82436	1.8
78.29030	1.1
78.95899	2.6
81.03458	4.0
83.05032	7.0
91.18306	1.3
93.03405	1.7
95.05035	3.3
97.06578	2.7
103.82571	1.2
107.05031	10.2
109.06580	4.1
110.59662	1.3
123.00913	1.6
123.04539	1.4
123.08167	2.0
125.02350	1.7
125.06069	3.7
125.09715	12.0
135.08176	9.1
142.82761	1.3
146.11249	1.2
153.09242	13.3
157.54597	1.3
163.11276	6.5
165.12868	1.6
169.91956	1.3
176.08348	2.4
177.09087	1.9
178.09921	2.2
179.10760	1.3
185.11816	12.1
191.05598	10.5
191.10744	3.2
195.13826	1.4
197.11801	12.7
205.12195	1.7
207.10245	5.8
209.11819	73.4
210.12158	3.6
211.13348	1.7
223.13359	9.8
225.11285	8.4
236.10466	3.0
243.17442	2.8
245.15469	3.0
253.10747	1.6
261.18451	3.6
279.19635	2.2
287.16504	10.4
305.17578	100.0
306.17877	5.7
313.18066	5.3
323.18613	39.0
324.18854	1.9
331.18964	2.7
341.21149	4.8
415.25052	6.7
436.68323	1.5
467.32111	1.7
493.29141	2.5
511.30719	33.4
512.30780	3.1
529.31647	15.7
530.31500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.6
62.16199	2.3
63.65220	2.5
69.31256	20.9
75.09716	2.2
76.01299	2.7
81.12959	2.4
85.06587	16.4
93.03458	3.1
98.19847	5.9
113.06072	15.1
114.53795	2.8
115.03987	35.1
131.07135	6.3
157.04959	6.0
173.04466	4.3
175.06097	100.0
191.05582	32.0
334.01352	2.9
342.60770	2.6
417.13229	2.7
487.43484	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	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86727	0.4
54.31139	0.3
55.01862	0.3
57.03423	0.4
59.01374	7.5
61.98822	0.9
69.92466	0.4
71.01373	5.8
73.02937	1.0
78.95901	0.5
81.03464	0.3
83.01373	0.7
85.02951	1.5
87.00855	0.9
89.02444	5.3
90.77530	0.4
93.03460	1.4
95.01375	0.5
97.02941	0.5
101.02437	6.2
111.08146	0.4
113.02431	3.6
119.03482	1.8
125.02425	0.4
143.03500	0.5
146.73817	0.4
156.68372	0.4
161.04532	3.4
173.04503	0.8
179.05595	1.7
179.14375	0.8
191.05574	1.6
195.13893	9.0
196.14499	0.9
205.12273	0.5
211.13214	0.4
223.13394	5.9
228.13547	0.6
231.21167	0.6
253.09264	29.7
254.09534	0.9
255.86496	0.5
256.13168	1.4
265.10922	0.4
275.20099	4.8
293.21210	100.0
294.21564	6.7
438.38165	0.4
492.22159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12879	0.4
59.01371	1.7
61.98818	1.3
62.68917	0.4
71.01377	0.6
71.53233	0.4
71.53626	0.4
78.95905	9.6
79.95753	3.5
80.84663	0.5
85.02939	0.7
93.03471	0.8
96.96010	100.0
96.96920	10.5
101.02467	0.4
113.67612	0.4
119.03449	0.5
125.02454	0.5
131.07095	0.9
133.02905	0.6
134.03745	7.0
135.04556	0.5
137.02444	0.8
149.06125	0.6
152.99591	1.4
161.02452	1.0
169.01379	0.5
173.04573	0.9
183.13927	0.6
191.05571	2.0
193.05040	7.7
213.14929	1.4
227.03484	6.0
229.05099	1.3
241.01276	0.6
255.02997	9.3
256.03448	1.2
257.04517	0.6
277.33292	0.4
284.03271	10.6
285.04004	10.2
286.04477	0.7
337.06900	0.8
367.10284	3.5
431.09796	21.2
432.10223	1.9
529.20416	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	529.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87722	0.9
53.98800	0.8
59.01376	11.1
69.03420	1.1
71.01378	15.6
71.09294	1.3
71.09621	1.5
72.99313	1.2
73.02944	1.1
82.61974	0.8
85.02945	7.4
87.00872	29.6
88.01269	1.0
92.26206	0.9
93.03457	2.2
101.57858	0.8
111.00840	0.9
115.00365	44.5
116.00687	1.0
127.04026	1.2
139.00325	1.6
143.05009	1.3
149.02466	1.2
157.01422	1.5
161.02336	2.0
161.06079	1.4
171.04445	1.7
173.04501	1.8
174.03050	0.9
175.02466	100.0
176.02759	1.5
177.01939	1.5
187.03937	1.5
189.05550	5.6
191.05600	86.2
192.05957	2.0
215.03470	3.5
233.04530	5.4
259.02411	3.0
319.04541	1.5
337.05609	25.6
338.05838	1.8
353.08755	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	527.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01883	0.3
51.67021	0.4
56.89545	0.4
57.03442	0.6
59.01379	100.0
60.01710	0.7
66.96227	0.4
70.53393	0.9
70.53723	0.5
71.01382	5.8
72.99286	0.4
73.02946	1.9
73.43279	0.4
80.94672	0.4
83.01396	0.7
83.05054	0.5
85.02963	2.9
89.02453	1.0
99.00903	1.1
101.02429	5.0
111.08173	1.7
113.02442	2.6
143.03500	0.7
159.02986	0.7
161.04552	6.0
169.22649	0.4
177.12848	0.5
179.10780	0.5
191.05615	1.1
195.13873	1.7
202.21109	0.4
253.09296	3.6
291.19647	23.3
292.19916	2.3
296.14261	0.4
439.65613	0.4
466.96585	0.5
467.30099	9.8
467.36200	0.7
468.30798	1.1
477.80902	0.5
517.38824	0.4
527.32086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37956	0.7
59.01378	100.0
61.26379	0.6
61.98835	2.2
71.01386	6.3
73.02968	1.6
78.95901	1.4
85.02510	0.7
85.02925	3.2
89.02449	0.9
93.03455	1.8
99.00898	1.5
101.02451	4.2
113.02485	2.8
160.74570	0.6
161.04539	5.4
173.04625	1.3
191.05626	4.9
291.19745	1.3
299.74734	0.7
467.30060	5.5
511.29471	1.6
527.33142	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87703	0.4
57.03442	1.1
57.85828	0.4
59.01381	9.0
61.98832	0.5
67.01868	0.4
69.03458	0.4
71.01383	4.6
71.09545	0.4
71.53750	0.6
72.99309	0.5
73.02938	0.7
73.35188	0.4
74.35545	0.4
78.95899	0.6
83.01392	0.6
83.05009	0.6
85.02946	1.4
87.00835	0.5
89.02446	3.9
93.03453	1.3
95.01369	0.5
95.05001	0.9
95.43180	0.3
96.43589	0.4
98.19192	0.3
101.02434	4.0
109.55074	0.3
109.55852	0.3
111.08154	8.0
113.02451	1.7
113.09746	0.6
119.03519	0.8
135.11790	0.5
137.09723	0.5
161.04530	1.4
167.10744	1.9
177.12837	1.6
179.05734	0.6
179.10748	1.6
185.11865	0.7
191.04094	0.6
191.05550	2.8
192.44946	0.4
195.13881	5.4
197.12068	0.4
221.15704	0.4
235.08179	0.6
247.20592	2.0
253.09279	16.5
264.32645	0.4
273.18524	1.0
291.19650	100.0
292.19992	7.9
397.23215	0.4
527.28119	2.6
529.82104	0.4
532.96741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87703	0.4
57.03442	1.1
57.85828	0.4
59.01381	9.0
61.98832	0.5
67.01868	0.4
69.03458	0.4
71.01383	4.6
71.09545	0.4
71.53750	0.6
72.99309	0.5
73.02938	0.7
73.35188	0.4
74.35545	0.4
78.95899	0.6
83.01392	0.6
83.05009	0.6
85.02946	1.4
87.00835	0.5
89.02446	3.9
93.03453	1.3
95.01369	0.5
95.05001	0.9
95.43180	0.3
96.43589	0.4
98.19192	0.3
101.02434	4.0
109.55074	0.3
109.55852	0.3
111.08154	8.0
113.02451	1.7
113.09746	0.6
119.03519	0.8
135.11790	0.5
137.09723	0.5
161.04530	1.4
167.10744	1.9
177.12837	1.6
179.05734	0.6
179.10748	1.6
185.11865	0.7
191.04094	0.6
191.05550	2.8
192.44946	0.4
195.13881	5.4
197.12068	0.4
221.15704	0.4
235.08179	0.6
247.20592	2.0
253.09279	16.5
264.32645	0.4
273.18524	1.0
291.19650	100.0
292.19992	7.9
397.23215	0.4
527.28119	2.6
529.82104	0.4
532.96741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2497
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
53.36631	0.2
55.01865	0.4
59.01380	1.7
61.98818	0.9
67.01896	1.1
69.03466	0.4
69.31062	1.7
71.01370	1.9
72.99287	0.5
73.02928	0.7
74.10903	0.2
79.01892	1.0
83.01382	0.9
85.02954	1.6
87.00880	0.4
89.02437	0.4
95.01392	1.9
96.96011	1.0
97.02946	0.5
99.00859	0.4
101.02443	1.3
107.01393	2.7
111.00114	0.3
111.00860	1.9
113.02432	0.8
121.02969	0.3
123.00885	11.1
124.01734	1.3
125.02446	11.3
127.00345	0.8
135.04469	0.4
136.98810	1.4
137.02425	0.4
139.00374	4.9
139.04050	0.3
140.01147	2.9
141.01936	1.1
151.00369	8.4
151.03931	0.4
153.01901	1.1
154.69368	0.2
157.43192	0.2
161.02420	0.5
163.03987	0.3
168.00644	3.3
169.01410	14.1
170.01753	0.4
179.03481	0.6
181.05002	0.3
183.02956	0.4
191.05609	4.2
211.02489	0.9
223.02501	0.3
253.03407	0.3
271.04398	0.8
313.05624	0.8
476.09381	0.3
495.18054	0.3
527.24939	100.0
528.17133	0.5
528.25287	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2132
Annotation	Dutasteride
Peak:m/z	Relative Intensity
63.29872	0.5
69.03459	2.5
70.85828	1.2
71.64050	0.4
71.75061	0.4
79.01881	1.4
81.03444	1.2
83.01370	1.0
83.64734	0.4
85.02938	1.0
93.03463	1.2
95.01389	2.9
97.02951	2.8
107.01411	2.2
109.02940	0.8
123.00875	9.0
124.01662	34.0
125.02448	42.5
126.02760	1.2
137.02444	3.0
149.99583	33.1
151.00366	6.4
167.03470	0.7
168.00636	56.8
169.01387	5.6
183.13884	0.9
191.05592	3.7
192.10059	0.5
213.14908	1.4
227.03331	0.8
313.05640	1.0
399.14655	0.7
439.35818	0.5
527.21313	100.0
527.73480	1.0
528.21710	12.5
552.45398	0.5
553.56451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2132
Annotation	Dutasteride
Peak:m/z	Relative Intensity
51.40364	0.4
61.92961	0.3
69.03461	1.2
69.47747	2.8
71.01362	0.4
78.18409	0.4
79.01894	0.8
81.03458	1.2
81.15861	0.3
88.92927	0.3
95.01368	1.0
95.39835	0.4
97.02953	1.8
107.01424	0.4
111.00887	0.4
119.32201	0.4
121.66776	0.4
123.00883	1.9
124.01665	4.9
125.02444	82.6
126.02779	1.9
137.02475	0.4
139.00368	0.8
164.74454	0.4
166.99861	0.4
167.03406	0.5
168.00627	7.9
169.01416	100.0
170.01746	2.6
191.05655	0.5
198.75781	0.4
200.63831	0.3
211.02475	0.5
213.14940	0.8
313.05615	1.2
331.06732	2.0
527.21320	66.0
528.21698	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	527.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21168	0.7
59.01361	1.2
61.98811	2.1
69.03456	3.4
71.01131	0.9
71.14461	0.6
79.01906	1.6
81.03442	1.1
83.01379	1.3
85.02944	1.9
87.00890	0.9
93.03468	1.6
95.01377	3.1
97.02960	3.1
100.19872	0.6
107.01403	2.1
109.02959	0.9
123.00874	8.8
123.04508	0.7
124.01664	30.2
125.02446	85.0
126.02756	2.2
137.02423	2.2
149.98373	1.5
149.99586	28.0
151.00391	6.5
167.03513	0.9
168.00642	56.6
169.01424	86.4
170.01743	2.3
191.05626	11.2
210.16359	0.6
211.79012	0.6
213.14958	1.6
244.72974	0.7
283.13391	0.7
288.60602	0.8
288.64227	0.7
313.05618	0.8
323.55148	0.7
353.13736	1.2
447.77322	0.7
462.36435	0.8
527.21289	100.0
528.21649	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37212	1.0
57.03419	1.0
59.01380	6.4
61.98829	8.8
63.96200	1.0
69.03432	2.1
70.86248	1.6
71.01378	10.0
71.59303	0.8
72.99284	1.3
73.02898	3.4
78.95867	1.6
78.98537	3.4
79.95744	7.9
80.96515	52.5
85.02940	4.8
87.00814	2.5
89.02409	1.1
93.03412	1.8
94.98095	12.8
96.96012	6.0
96.96571	1.2
97.02910	1.9
98.69319	0.8
99.00885	1.8
101.02450	6.3
103.96733	0.9
106.98013	2.5
107.22164	0.8
113.02361	2.7
117.03359	0.9
122.97562	4.0
124.01612	1.1
125.02406	5.4
126.92278	0.8
127.03992	1.0
133.02957	16.1
134.97453	3.4
135.04520	6.3
139.03938	1.6
148.99152	5.2
151.96077	0.8
152.98653	6.9
153.01718	0.9
153.05569	0.9
157.12195	1.5
161.02441	40.8
162.02673	1.0
164.98618	10.9
165.12596	1.0
169.01382	6.7
179.03320	2.3
182.99619	1.0
183.13922	5.7
191.05638	7.1
203.12889	4.1
205.18031	0.8
206.99506	1.9
218.65552	0.9
225.00743	18.2
249.11180	1.2
299.04123	2.9
330.11539	0.9
353.13528	2.8
365.18134	79.9
366.18399	4.8
366.52725	0.9
398.79904	0.9
464.09277	0.9
465.07327	1.0
483.18402	1.5
527.17609	100.0
528.18109	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	527.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60321	0.8
59.01378	2.2
61.98833	8.9
63.96244	0.8
69.03439	2.6
71.01382	8.3
73.02973	1.2
78.95895	5.8
78.98573	4.6
79.95728	8.2
80.96516	56.4
85.02937	4.1
87.00856	3.0
89.02458	1.0
94.03165	0.9
94.98087	13.6
96.96011	1.4
97.02946	1.6
98.19867	2.2
101.02443	2.9
106.98093	2.8
109.76342	0.9
120.99658	1.6
122.97578	5.5
124.56281	0.8
125.02446	8.1
134.97591	4.1
148.99126	7.1
152.98619	7.1
164.98630	9.5
169.01402	7.2
182.99666	1.4
191.05620	7.4
206.99721	3.3
209.11845	4.9
225.00706	16.5
243.01836	2.0
259.63583	0.8
299.04355	1.7
375.12799	0.8
404.95380	0.9
527.18103	100.0
528.18506	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
60.36523	0.3
61.98540	0.4
61.98827	4.5
63.96237	0.9
67.30995	0.3
69.03429	0.7
69.58882	2.3
71.01382	7.1
72.99306	0.4
73.02934	1.8
78.95919	0.5
78.98586	5.0
79.95732	8.3
80.96513	56.6
81.03439	0.8
83.01418	0.5
85.02950	3.2
87.00877	3.0
89.02446	0.6
93.03460	0.7
94.98082	15.2
95.01398	0.6
96.96015	1.3
97.02953	1.6
99.00848	0.6
101.02431	3.6
103.83111	0.4
104.20042	0.3
106.98092	2.9
109.02968	0.4
113.02436	1.4
122.97578	4.9
123.00887	0.8
124.01618	0.8
125.02452	3.7
127.04001	1.0
133.02962	2.4
134.97572	3.9
135.04517	0.8
136.99104	1.0
139.03987	0.6
148.99127	5.9
152.98636	6.7
161.02423	6.6
164.98618	11.0
165.12865	0.7
169.01404	1.0
173.04601	0.5
179.00206	0.3
182.99724	2.1
183.13885	4.6
191.05595	1.8
203.12798	0.5
206.99698	3.5
225.00737	20.9
226.01067	0.4
243.01735	1.7
274.83658	0.4
299.04401	2.1
353.13959	0.6
365.18100	10.6
366.18375	0.6
483.18832	1.0
527.17889	100.0
528.18262	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	527.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07720	0.6
55.90257	0.7
59.01379	9.9
61.98827	14.9
69.03452	15.1
69.49459	1.3
69.49866	3.4
71.01379	8.6
72.99288	0.6
73.02940	1.2
76.35825	0.7
78.98582	2.3
79.95709	3.4
80.96510	26.1
81.03447	2.1
83.01383	1.0
85.02948	2.3
87.00880	1.5
89.02443	6.4
94.98095	5.6
95.01428	0.8
95.05019	1.8
96.95953	0.8
97.02950	2.8
98.96339	0.6
99.03492	0.6
99.04510	1.3
101.02427	4.8
106.98104	1.6
107.01382	17.0
108.01688	0.6
113.02447	3.4
114.91405	0.6
119.03493	2.1
120.99684	0.7
121.02960	1.0
121.06567	4.1
122.97570	2.1
124.01678	1.0
125.02440	57.7
125.06081	1.3
126.02773	1.3
134.97595	1.2
137.63562	0.6
139.00395	1.1
139.07558	0.7
140.01131	1.0
143.03464	1.0
148.20644	0.7
148.99129	2.7
151.00383	0.9
151.07654	4.2
152.98621	2.8
164.98607	4.9
169.01410	100.0
169.08679	1.5
170.01790	2.5
181.01437	0.7
182.99590	1.0
191.05605	4.5
195.06621	2.5
206.99725	1.9
209.11824	1.9
225.00719	8.9
243.01712	1.4
251.05634	2.3
277.07050	1.4
286.92120	0.7
299.04364	1.0
303.08749	3.2
319.08328	0.8
321.09796	10.5
347.07700	3.1
365.08899	2.2
373.11267	0.8
374.11664	1.1
375.12836	18.3
465.10294	2.0
483.15134	3.4
527.13892	30.3
527.18036	30.0
528.14520	3.8
528.18463	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	526.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06034	2.0
59.01365	8.1
61.98834	11.8
68.67686	1.9
71.01389	3.4
71.53574	2.8
76.19961	2.2
78.95891	4.8
84.91905	2.0
85.02974	2.8
89.02459	3.1
96.96002	3.9
106.11221	2.3
111.00835	2.5
122.06101	8.0
124.07632	2.7
125.02397	3.3
125.79007	1.9
133.02972	3.2
137.02415	4.9
139.07649	2.4
147.24017	2.6
150.05492	2.1
151.00426	2.2
158.02460	4.0
160.04001	3.3
161.02368	5.2
169.01349	5.8
173.04637	2.8
179.03505	2.8
190.05084	4.1
191.05623	7.2
198.04225	6.0
219.13869	2.5
226.07333	2.7
227.08252	2.7
228.06674	2.4
229.14409	2.9
237.06685	5.0
239.04564	3.9
239.08047	2.9
239.11755	4.9
240.10359	3.1
251.08188	6.3
252.09064	4.8
253.06079	11.1
253.09763	5.3
255.07672	2.9
265.06171	16.7
265.09793	3.9
266.06741	3.1
267.07681	7.6
267.11230	2.6
271.07312	3.0
279.07721	6.2
280.08453	11.1
281.09207	10.8
283.10779	13.3
284.09195	3.7
293.05807	3.2
293.09119	4.2
307.07144	6.5
309.08731	3.6
311.10114	3.5
315.10962	7.4
325.08389	3.6
327.21765	3.3
333.12097	2.5
348.15042	2.4
363.16971	6.4
378.12137	3.4
402.10477	2.9
403.11847	2.7
404.16403	3.3
407.15945	13.9
416.12418	2.3
417.13150	3.5
432.15582	32.4
450.16461	19.1
451.15186	6.9
464.18271	6.0
476.14609	37.2
477.14792	4.3
494.15631	57.1
495.16068	5.9
508.17215	59.8
509.17493	4.6
526.18231	100.0
527.18274	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	527.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56937	1.4
70.15831	6.3
70.16216	2.8
70.69829	1.5
82.36251	1.9
85.02948	5.2
93.03455	1.5
142.99873	2.4
173.04576	1.7
185.06403	1.6
191.05608	100.0
192.05894	3.1
342.19666	1.7
353.08807	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	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	15.6
63.60739	3.3
69.39986	7.7
69.40394	22.7
107.01354	4.0
138.41728	4.0
151.00369	4.3
161.02493	4.3
178.99893	4.6
227.03500	4.6
243.02850	6.0
255.02919	20.7
271.02448	41.3
300.02756	95.8
301.03491	44.5
417.85852	4.2
463.08725	100.0
464.09149	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	526.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18372	1.5
58.01155	1.4
61.98828	100.0
69.44425	9.6
69.44843	3.4
71.01382	2.8
78.95891	2.0
80.96499	1.7
85.02935	1.7
99.94753	1.9
113.02438	1.8
123.00888	2.7
124.01649	13.8
125.02460	4.2
133.02966	23.9
135.04524	11.1
135.05469	2.2
139.03967	6.0
149.22437	1.6
161.02438	93.7
162.02748	3.1
168.00635	2.2
169.01498	1.5
179.03496	8.0
234.17706	1.5
243.02754	1.7
261.07309	1.6
261.28516	1.7
271.02454	4.4
272.02615	1.6
300.02789	8.1
301.03476	6.6
323.07684	3.5
463.12692	88.0
464.12805	7.3
526.17297	1.9
546.51624	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75423	0.4
55.01869	2.7
57.03440	2.0
58.00592	0.9
59.01381	13.4
61.98541	0.4
61.98831	6.6
66.44717	0.4
67.47245	0.4
68.99792	0.3
69.03444	0.9
71.01382	22.7
71.32526	0.4
72.99305	1.3
73.02948	10.5
75.00867	0.6
81.59577	0.3
83.01389	5.7
85.02949	15.3
86.00060	0.7
87.00872	2.1
89.02444	2.0
93.03457	0.8
94.98082	0.5
95.01393	2.1
96.96062	0.6
97.02962	0.9
99.00884	4.1
101.02441	20.1
109.02953	0.6
111.00885	6.4
112.74876	0.4
113.02448	8.8
119.03534	0.4
119.04974	0.6
121.02931	0.8
122.03699	0.5
122.06122	1.0
123.06458	0.6
124.01682	0.9
125.02438	3.0
129.01924	1.7
133.02953	1.6
134.03706	0.6
135.04536	8.4
136.04849	0.6
137.02481	0.8
141.01971	1.1
143.03505	0.6
149.02396	0.5
149.06076	0.4
149.99536	0.4
150.03244	2.2
152.01134	0.7
152.07166	1.6
153.01915	0.6
159.02980	2.2
161.02467	5.1
161.04546	3.3
162.02817	1.3
163.03986	0.6
165.05620	2.5
166.06335	1.4
168.00618	0.9
168.91727	0.4
169.01466	2.9
176.03488	0.4
177.05566	0.5
177.99188	0.4
179.03502	0.7
180.04051	0.5
181.08632	0.7
191.05646	2.0
195.04781	0.3
195.06599	1.5
229.12898	0.4
237.05452	0.4
240.04283	1.3
283.06061	0.8
283.10968	0.5
284.11276	0.7
298.08359	1.6
313.10858	2.6
329.13986	0.8
363.23874	12.1
364.24118	0.9
449.18781	0.8
462.15021	1.9
477.19061	1.8
489.13873	0.5
493.18018	1.6
507.19379	0.4
525.20776	7.6
525.29102	100.0
526.17975	0.7
526.21783	0.4
526.29486	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	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
58.00574	0.3
59.01376	2.9
61.98832	4.3
67.01878	0.9
69.03459	0.7
71.01382	2.2
72.99314	0.6
79.01892	0.9
83.01382	0.8
83.14178	0.3
85.02937	1.3
87.00897	0.7
89.02428	0.8
93.03429	0.4
95.01402	1.9
95.05029	0.3
97.02941	0.8
99.00871	0.8
99.75684	0.3
101.02444	2.3
104.65850	0.3
105.12527	0.3
107.01389	2.7
107.05014	0.3
108.02169	0.5
109.02962	0.9
111.00900	2.5
113.02435	1.2
119.03442	0.4
119.05052	0.4
120.99625	0.4
123.00877	11.0
123.04506	0.8
124.01625	1.0
125.02441	12.6
127.00333	0.5
133.02914	0.5
134.22461	0.3
135.04526	3.8
136.98807	1.4
137.02461	0.5
139.00362	4.7
139.03979	1.1
140.01167	3.2
141.01913	1.1
142.92464	0.3
149.02444	0.6
151.00354	9.6
151.03883	0.3
153.01891	0.9
154.99786	0.4
160.17899	0.3
161.02411	1.9
163.04015	0.6
164.04788	0.9
165.01892	0.7
167.03488	2.9
168.00645	2.9
169.01413	14.4
170.01819	0.4
179.03613	0.7
179.07109	1.0
181.05119	0.7
183.02876	0.5
191.05643	1.7
192.04041	0.3
199.60075	0.3
211.02475	0.9
253.03432	0.5
264.76743	0.4
271.04684	0.5
286.08612	0.3
301.10507	0.8
313.05725	0.9
319.11743	0.5
363.10818	1.0
363.16232	0.4
393.94730	0.3
494.14920	0.3
525.23376	100.0
526.23779	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55036	0.4
59.01378	3.1
61.98834	2.5
67.43793	0.4
68.99821	1.1
69.03456	0.6
69.57551	0.8
69.57945	2.6
71.01382	9.3
73.02948	1.2
81.03444	0.9
83.01392	1.2
83.05019	1.2
85.02956	4.4
87.00859	0.6
87.55697	0.4
88.98784	0.6
89.02447	0.8
93.02878	0.5
93.03429	2.2
95.01392	0.9
97.02950	0.9
99.00878	1.1
99.04510	2.5
101.02431	2.7
105.98412	0.5
107.05057	0.5
108.02171	7.0
109.02956	9.3
113.02447	4.3
119.03490	0.5
119.05070	0.5
121.02942	2.4
121.06539	0.6
122.03737	88.6
123.04539	29.6
124.01605	0.7
124.04883	0.7
125.02441	7.3
127.04046	1.2
135.04523	1.4
137.02434	7.4
137.06065	1.5
143.03508	1.1
147.04520	1.0
149.06061	0.9
150.03239	0.5
161.02435	0.7
161.04526	4.8
165.05588	2.3
168.00690	1.1
169.01413	8.0
177.05646	0.7
183.13881	5.3
191.05600	2.4
195.13930	6.1
213.14948	100.0
214.15259	4.6
219.13782	0.4
227.16516	1.7
228.86356	0.4
237.14923	1.6
255.02948	0.8
255.16020	2.0
258.70554	0.4
267.16000	0.7
283.02512	2.6
285.09784	0.6
297.17203	0.9
309.17218	1.2
315.04926	1.0
357.05939	0.5
431.90076	0.5
432.15582	0.6
450.16342	0.7
476.14389	0.8
508.17242	2.0
525.22980	9.7
525.34485	1.9
526.18622	1.7
526.25146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1973
Annotation	Abelioside A
Peak:m/z	Relative Intensity
57.64327	0.6
59.01373	1.9
61.98829	1.8
63.07406	0.6
69.03447	0.7
70.44240	2.3
71.01382	3.5
73.02937	1.9
76.00893	0.7
81.03452	1.1
83.01424	0.7
85.02950	4.0
89.02468	0.9
93.03457	0.6
95.01388	2.2
101.02431	1.8
108.02170	61.6
109.02960	36.1
110.03271	0.8
111.08128	1.0
113.02469	1.5
118.54731	0.7
122.03719	3.6
123.00900	1.6
123.04523	8.8
135.00906	0.7
137.02425	1.3
151.03839	0.9
152.01144	60.0
153.01935	18.9
161.04538	1.6
163.04015	1.7
165.01863	0.8
165.12894	4.3
167.03571	0.7
183.13879	10.9
191.05649	1.1
195.13901	1.2
209.11868	1.0
213.14949	12.7
227.12810	1.9
237.14841	0.7
285.10202	0.9
315.07242	5.4
345.12451	2.0
383.08301	0.8
450.17004	0.9
481.20715	2.5
482.21619	0.8
507.18619	6.7
525.19727	100.0
526.20044	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47991	0.5
59.01374	4.1
61.98820	3.6
61.99072	0.4
63.27098	0.5
64.16864	0.5
65.46369	0.5
68.99805	0.8
69.03447	0.8
71.01377	7.8
73.02955	1.9
81.03477	1.0
83.01411	1.1
83.05005	0.8
85.02946	5.8
87.00874	1.0
89.02457	0.8
93.03458	1.5
95.01382	1.2
97.02964	1.0
99.00878	1.3
99.04533	2.5
101.02435	4.2
108.02178	6.2
109.02959	8.4
113.02454	4.0
121.02958	2.4
122.03737	84.8
123.04538	29.5
125.02456	5.8
135.04530	1.1
136.05183	0.6
137.02443	6.9
137.06032	0.8
143.03502	0.6
147.04497	0.8
149.06133	0.7
150.03214	0.7
151.07669	0.7
153.01999	0.7
153.05721	0.6
159.03021	0.9
161.02486	0.7
161.04517	5.3
165.05576	1.8
168.00624	1.1
169.01402	6.9
172.02902	0.5
173.04343	0.6
177.05534	0.9
183.13898	5.6
191.05597	2.6
195.13895	5.9
209.15302	0.6
213.14946	100.0
214.15297	4.3
227.16495	1.6
237.14963	1.7
255.02901	0.9
255.16029	1.4
267.15884	0.8
283.02481	1.3
285.09863	0.6
309.16971	1.6
432.15540	0.7
450.16220	0.9
476.14841	0.6
483.32666	1.0
508.17252	1.8
525.24182	8.7
525.34540	3.2
526.18011	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	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59401	0.9
59.01381	23.9
60.97283	0.8
62.08051	0.9
66.26392	0.9
67.66946	0.9
69.35740	5.0
69.36166	2.8
70.22446	0.9
71.01377	14.5
73.02937	1.4
83.01376	1.2
85.02967	3.4
87.00876	2.1
89.02445	20.7
95.01363	1.1
97.02897	0.8
101.02444	11.5
105.96584	0.9
106.21276	0.8
108.02198	2.1
113.02472	8.2
113.07525	0.8
119.03498	10.5
121.02970	1.6
122.03752	4.2
125.02430	3.5
131.03502	1.6
134.03737	36.8
135.04564	4.8
143.03523	2.4
145.02975	1.8
146.03738	53.2
147.04541	15.0
148.04982	1.0
149.06071	35.3
150.03235	2.6
150.06392	1.1
150.32753	1.0
161.04587	3.9
161.06053	21.7
162.03258	2.1
163.03973	1.1
164.04793	29.8
165.05544	5.1
166.06328	2.2
167.07130	32.6
168.07507	1.4
169.01384	4.7
171.61143	1.0
177.05566	1.5
179.05606	14.3
179.07111	100.0
180.07425	2.9
184.22643	1.0
191.05617	1.4
192.74228	1.1
193.08745	2.3
221.08154	1.1
227.52888	0.9
249.04144	1.2
313.05676	1.3
327.12369	4.4
328.11520	1.3
329.12396	30.7
330.12827	1.3
383.13541	23.0
384.13745	1.6
477.17529	11.1
478.17532	1.0
481.13565	1.1
489.17566	13.2
507.18552	4.1
525.12366	6.8
525.19891	3.0
547.21307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.2
59.01379	36.7
61.42725	0.7
61.98824	7.1
67.01879	1.2
69.03069	1.6
69.03453	31.0
69.99402	2.1
69.99805	2.5
71.01378	18.9
72.99274	1.1
83.01389	1.2
85.02945	4.1
87.00870	1.7
89.01934	1.6
89.02446	25.1
89.02998	1.3
93.03459	8.1
95.05013	0.8
96.22444	0.7
96.96024	1.0
97.02947	43.1
98.03234	1.1
101.02428	10.9
105.03441	2.8
108.02135	0.9
113.02467	7.4
119.03499	8.6
119.05006	1.0
121.02900	1.8
121.06584	2.6
123.04521	6.8
125.02460	1.1
131.03477	0.8
141.01927	2.5
143.03412	0.9
149.02472	1.0
149.06059	14.6
161.04515	1.5
167.07124	5.2
169.01395	2.6
179.05583	3.3
193.05038	27.5
280.03098	1.0
282.62329	0.8
373.11353	100.0
374.11771	7.0
465.22342	1.1
477.83722	1.0
525.12457	19.2
526.12842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03419	0.7
58.00589	0.9
59.01376	36.7
61.98828	12.2
67.01880	1.7
68.99804	0.9
69.03458	9.6
71.01377	28.8
71.53328	0.6
72.01706	0.5
72.99294	2.2
73.02945	4.9
79.01891	1.4
79.95714	0.6
80.96489	0.7
83.01370	2.5
85.02951	4.9
87.00876	4.2
89.02441	38.7
90.02793	0.7
93.03429	1.1
95.01374	1.8
95.04993	0.6
96.96004	5.9
97.02946	37.2
98.03293	0.6
99.00859	1.0
100.11792	0.5
101.02438	22.0
107.01379	6.6
109.02954	0.5
110.00084	0.7
111.00868	3.1
111.04442	0.5
113.02450	7.6
119.03491	3.3
119.04980	1.3
121.02928	1.2
123.00882	10.1
123.04529	5.2
124.01665	1.9
125.02442	40.5
126.02762	0.7
127.00375	0.9
131.03497	16.6
132.03842	0.6
133.02852	0.7
135.04526	2.6
136.04750	0.5
136.98810	1.8
137.02470	1.0
139.00365	5.3
139.03967	0.5
140.01180	4.3
141.01913	7.3
143.03484	0.8
149.04552	37.6
149.05891	1.3
150.04825	0.9
151.00363	8.6
151.03957	0.7
153.01874	0.6
161.02399	1.9
161.04527	0.8
163.04031	0.5
165.01917	1.3
167.03439	1.5
167.07101	0.9
168.00633	11.0
169.01411	62.8
170.01787	1.2
179.03462	1.3
179.05528	0.6
181.05054	0.5
183.02946	0.5
187.88403	0.5
191.03865	0.5
191.05589	11.2
192.05818	0.6
193.01405	2.1
193.04990	0.7
211.02467	22.1
212.02821	1.1
223.02371	0.6
241.03455	0.9
251.07651	0.8
253.03421	0.7
259.42899	0.5
271.02374	0.7
271.04562	17.8
272.04971	1.2
297.06131	1.4
300.02621	0.9
301.03537	0.5
311.09619	0.8
313.05624	20.2
314.05817	0.7
316.02005	0.6
331.06656	2.5
333.19098	0.7
348.42822	0.5
373.11288	1.8
383.09790	31.5
384.10004	2.5
463.08545	1.6
464.22354	1.0
465.23312	16.2
466.23444	1.2
481.13464	15.0
482.13901	1.4
487.76465	0.5
525.12408	100.0
526.12775	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	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
61.98829	100.0
69.36527	2.0
69.36938	0.7
71.01393	0.5
81.03496	0.3
89.02457	0.7
90.99811	0.3
95.01349	0.4
108.02187	1.1
109.02989	0.7
110.03314	0.4
121.28843	0.3
123.00883	0.4
152.01170	0.7
169.01414	0.3
181.11031	0.3
184.28558	0.3
191.05672	0.5
205.15855	0.3
287.22336	1.2
288.22681	1.0
362.80283	0.3
371.12799	0.3
469.05582	0.4
518.37329	0.3
524.18689	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	524.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35715	1.3
59.01359	4.5
61.19053	1.3
61.98828	77.8
67.85622	1.5
70.69164	1.3
71.01395	3.6
71.53292	1.6
71.53667	1.9
85.02940	2.6
89.02453	1.9
90.94766	1.6
101.02431	2.0
102.98505	1.4
105.78622	1.7
107.04951	1.7
109.03029	2.0
113.02497	2.1
119.05074	2.5
124.01636	1.5
125.02419	1.7
133.02959	29.5
135.04526	15.0
137.02435	2.1
161.02429	100.0
162.02783	6.8
164.37813	1.5
169.01396	6.1
179.03465	6.5
180.03590	1.5
181.06868	1.4
191.05571	5.5
288.99878	3.4
332.01733	2.2
461.14523	89.1
462.14777	5.3
506.17490	2.6
524.23358	1.9
525.19806	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	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14106	7.1
59.01369	10.8
61.98835	8.8
67.17081	7.5
68.07176	6.6
69.44653	58.1
85.02970	19.5
93.03445	13.0
98.91082	7.6
137.42154	7.5
154.25032	7.4
159.74947	6.8
171.10320	21.7
176.07909	8.6
187.03969	16.9
191.05595	100.0
192.05907	13.0
266.09644	10.1
277.21619	24.2
291.19693	12.7
309.20670	15.2
324.83691	7.8
327.21585	12.8
403.51337	7.5
408.55792	7.9
485.32681	22.5
522.74829	11.0
523.24817	14.8
523.37213	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	523.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59106	0.8
54.71370	0.9
57.03450	0.9
59.01380	25.2
61.98820	2.6
63.31709	0.9
70.80943	0.9
73.21629	0.8
95.07124	0.8
98.20755	1.8
109.06549	0.9
111.08109	1.2
125.09719	1.1
127.07642	1.2
127.11300	1.8
151.11279	3.8
153.12863	2.6
165.12808	0.9
167.10741	2.2
169.12335	100.0
170.12630	3.0
171.10260	54.8
172.10570	1.5
179.14345	1.4
181.12425	2.3
190.29990	0.9
197.11804	3.0
197.93629	0.8
199.97664	1.0
207.13835	2.1
213.11356	7.8
226.12239	1.0
229.92607	1.6
231.12363	35.8
232.12616	1.7
247.20676	2.7
263.20160	1.1
273.18686	1.5
282.67715	1.0
291.19659	24.6
292.19998	2.1
309.20700	83.8
310.21170	6.3
348.54718	0.9
445.29431	2.5
459.11853	1.0
487.30777	1.1
505.31671	6.5
523.32721	46.1
524.32825	5.3
533.27887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98828	100.0
71.01394	3.3
71.53586	1.0
73.02955	1.0
85.02962	1.4
88.98818	1.8
89.02471	1.1
93.03453	1.2
93.43414	0.7
96.95979	0.8
100.09161	0.8
101.02426	2.0
109.03014	1.0
113.02405	1.2
121.02969	1.1
124.01664	1.7
125.02475	2.7
133.02998	3.1
135.04546	3.5
136.04906	1.0
139.04050	2.5
149.02449	4.8
150.02829	1.4
151.00327	0.7
151.45222	0.9
151.67152	0.6
153.01933	0.7
161.02406	7.2
162.02826	1.6
164.04788	6.9
165.05200	2.9
167.07230	0.9
167.09900	0.6
169.01488	1.4
179.03529	1.5
179.07103	5.7
180.07516	1.7
181.08698	1.2
191.05696	3.0
199.62715	0.7
200.24332	0.7
222.30006	0.7
228.00633	1.1
240.00685	1.4
243.02983	3.6
257.04703	1.2
271.02484	3.9
283.99619	1.0
285.04120	2.4
291.01398	0.7
299.02014	2.4
300.02805	1.4
307.97336	0.7
311.99054	11.5
314.04202	5.8
315.05035	4.2
326.11606	1.0
327.01468	17.4
327.05151	1.4
343.14157	0.8
344.12271	0.9
344.14328	0.7
363.16846	1.2
461.10666	13.2
462.11438	1.1
506.20895	4.0
523.21655	0.9
524.21460	4.3
525.20575	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	523.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.5
61.98813	3.1
66.05505	3.5
68.47923	2.9
69.91013	3.0
71.53602	5.0
75.00389	2.9
78.95903	35.7
87.00892	4.1
96.96981	3.6
126.21634	3.8
138.40100	3.3
152.99591	39.3
191.05540	7.1
195.13866	23.2
214.23152	3.3
241.61725	3.9
245.04283	4.5
277.21747	17.7
295.22800	76.0
296.23065	7.9
487.28033	3.7
487.34418	43.6
488.34558	5.1
523.26593	100.0
523.33777	5.1
524.26727	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	523.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73144	6.9
63.45343	6.7
69.81702	39.4
93.27664	7.0
116.49268	7.0
134.22446	8.3
197.11867	7.8
216.97931	7.5
335.02728	8.0
457.54578	8.1
487.34329	100.0
488.34561	11.4
494.91153	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.21092	0.9
56.83645	1.0
57.03442	3.3
58.00591	1.7
59.01376	59.3
61.98826	3.6
69.03462	2.4
69.25546	10.3
71.01379	37.3
72.99314	1.3
73.02948	12.0
83.01379	5.7
85.02951	19.0
87.00883	2.7
87.60098	1.0
88.98798	1.7
89.02446	13.7
91.79506	1.1
93.03455	1.9
95.01373	4.7
96.96024	5.3
96.96930	1.3
97.02956	1.2
98.19865	1.8
99.00874	5.0
101.01800	1.9
101.02442	29.8
109.02952	5.0
113.02439	12.7
119.03496	4.8
119.05008	1.8
121.02953	14.3
122.03762	13.1
123.04493	2.2
124.01643	1.8
125.02483	2.5
131.03505	22.5
135.04533	6.9
136.05424	1.4
137.02396	1.9
143.03595	1.6
147.04498	6.2
151.04063	1.0
154.02736	1.6
154.13618	1.1
159.02989	3.0
161.02428	2.4
161.04544	12.4
161.06076	3.2
163.04013	1.9
165.05565	28.1
166.05984	1.1
173.04500	1.3
173.05960	1.1
175.07613	1.3
177.01889	1.9
179.03476	2.3
179.07132	10.2
191.05597	6.0
191.07123	2.0
209.08153	1.7
259.06122	1.8
280.09000	1.0
287.05615	2.7
298.12094	2.7
299.13065	1.3
313.14407	3.4
315.12372	1.9
328.13312	1.9
329.13974	1.7
331.17627	34.7
332.17981	2.4
343.15378	6.4
345.13702	1.5
346.14249	9.3
347.14844	3.3
361.16544	96.0
362.16946	6.7
463.21829	14.2
464.21875	1.7
523.21838	100.0
524.22327	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	523.2314
Annotation	Vielanin C
Peak:m/z	Relative Intensity
59.01378	24.3
61.98819	13.6
70.11118	4.8
71.01361	18.3
73.02955	11.0
78.40010	4.5
85.02946	7.5
89.02424	11.3
101.02438	14.2
113.02416	5.6
116.77809	4.5
119.03446	5.6
139.56157	4.7
142.80347	4.9
165.05557	23.5
179.10201	5.0
184.28760	4.6
267.06351	4.7
288.76926	5.2
391.26886	7.6
487.25439	100.0
488.25778	11.8
523.23346	90.3
523.31201	6.6
524.23212	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22287	1.4
59.01380	4.6
61.98836	1.8
70.72211	1.0
71.01382	3.3
71.52906	1.3
73.02914	1.2
78.95876	2.8
85.02970	2.3
89.02444	2.0
93.30038	1.2
101.02445	4.3
113.02461	1.6
120.99654	100.0
121.99971	1.4
123.04535	1.3
137.02446	2.1
165.01961	2.3
175.04012	1.2
191.05626	5.7
221.07330	1.3
288.91129	1.3
329.07925	1.5
391.26907	3.9
523.18481	2.9
523.31268	5.2
524.20416	1.7
530.69666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2179
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.09040	0.8
55.01870	2.5
57.03435	1.5
58.00586	1.0
59.01378	27.8
61.98827	1.2
69.03454	0.8
69.65108	4.9
70.99691	0.7
71.01379	20.0
71.98858	0.7
72.99285	0.9
73.02946	5.1
74.59359	0.7
83.01391	3.2
85.02947	10.4
87.00872	2.8
89.02444	8.8
93.03418	1.5
95.01355	1.1
99.00874	2.8
101.02437	18.1
102.46386	0.8
105.80590	0.9
108.02219	1.1
109.02962	4.2
113.02463	6.6
113.36997	0.7
119.03486	3.1
121.02965	10.3
122.03746	13.1
123.04533	2.3
124.01620	1.3
128.98018	0.8
131.03529	5.9
135.04498	2.6
136.05251	1.1
137.02435	1.6
147.04539	6.5
149.06082	1.5
154.02647	1.0
159.03046	0.9
160.03551	0.8
161.02408	1.7
161.04521	3.6
161.06026	2.0
165.05559	23.8
175.60892	1.0
179.03508	1.1
179.07147	8.0
187.51389	0.7
191.05550	5.1
191.07118	1.7
199.70131	0.8
202.27960	0.8
209.08174	1.1
223.09793	1.1
230.95842	0.9
261.04245	1.1
313.14334	3.1
315.12436	2.0
328.13104	2.1
329.14044	1.3
331.17618	7.5
343.15402	4.7
346.14261	7.0
347.14835	1.8
361.16544	89.7
362.16815	7.7
379.61588	0.9
463.21796	3.6
489.43347	0.9
523.21820	100.0
524.22107	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	523.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.06311	0.7
68.82758	0.7
86.91853	0.7
92.92065	0.7
98.20660	2.4
120.99655	100.0
121.99989	0.8
135.04541	0.8
241.05473	1.4
294.85266	0.8
330.67203	1.0
379.14133	0.7
484.52863	0.8
547.48743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
67.01877	0.7
70.83694	0.6
70.84003	0.4
71.01369	0.5
81.03451	0.4
83.87917	0.3
85.02941	4.9
87.00878	1.7
93.03454	5.4
102.14231	0.3
102.85947	0.3
109.02950	0.9
111.04517	1.3
125.02450	0.7
126.79677	0.3
127.04001	1.3
133.02953	0.7
135.04527	3.7
137.02446	0.9
161.02437	3.4
163.03990	0.4
169.01366	0.4
171.02989	0.3
173.04549	2.7
179.03505	0.9
191.05600	100.0
192.05954	3.1
213.07936	0.3
353.08731	5.9
354.08902	0.4
371.09793	40.3
372.10187	3.0
523.10522	4.2
524.11285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82449	1.3
55.42788	1.1
58.04168	1.1
59.01373	2.8
68.76899	1.3
69.19595	5.2
69.20020	6.9
75.86532	1.6
85.02953	6.0
93.03455	4.1
96.96972	4.9
109.02953	2.0
125.02451	16.3
130.59529	1.1
133.81058	1.1
135.04449	2.5
140.95865	1.2
145.44328	1.2
148.19315	1.4
161.02345	1.6
168.99072	2.0
169.01437	17.9
173.04524	3.8
191.05602	100.0
192.05931	2.7
287.06030	1.6
330.41620	1.3
353.08762	9.2
369.24338	1.3
371.09744	6.8
523.18427	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	521.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01382	1.2
61.68365	0.4
69.03459	0.5
70.92933	0.6
70.93268	0.6
78.95917	0.6
83.05032	0.6
95.05023	1.0
97.02954	1.0
97.06599	2.0
101.18619	0.5
123.08196	0.6
125.09728	1.8
135.08171	0.5
137.09680	1.2
138.97649	0.4
141.05542	0.4
146.26024	0.4
151.11278	13.6
153.09189	1.2
163.07703	0.4
163.11316	2.1
167.10886	0.5
169.12340	86.4
170.12691	2.4
171.10281	1.8
179.10764	0.5
185.11848	3.1
191.05548	0.5
191.14386	2.2
195.10228	1.4
197.11842	0.7
207.10321	1.4
209.11813	2.5
211.09766	0.6
213.11311	100.0
214.11633	4.5
217.15794	0.5
225.11304	0.9
245.19069	6.9
255.98848	0.4
271.16925	0.7
289.18079	24.6
290.18320	2.1
300.14688	0.5
307.19135	26.6
308.19528	1.7
325.20157	4.4
503.30118	1.1
521.31024	3.9
539.52393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42846	0.6
57.03447	3.6
59.01382	1.9
61.65851	0.6
69.03413	0.8
71.01385	0.7
72.99324	0.7
75.00869	1.0
78.95898	4.5
83.05005	1.1
85.02958	1.3
93.03440	1.3
97.06585	2.0
109.06600	1.5
111.08184	0.9
118.41393	0.6
123.08160	1.4
125.09727	3.3
127.11236	1.8
139.11304	3.1
141.09193	0.7
141.12808	1.2
151.11282	0.9
152.99554	1.7
153.09232	0.8
153.12840	3.0
155.10718	1.8
165.12816	1.8
165.97273	0.7
167.10762	9.3
169.12354	1.2
171.10306	4.0
179.10789	1.3
179.14404	1.1
179.55809	0.6
181.12363	3.4
183.13814	0.7
185.11821	49.6
186.12134	2.2
191.05615	10.4
197.11784	4.3
199.13423	1.5
201.11246	1.8
207.13881	1.0
209.11812	1.7
211.09732	1.0
213.14967	1.9
227.12907	0.8
229.10806	6.3
229.46898	0.9
247.20673	5.3
263.20264	0.8
273.18533	2.7
291.19656	36.1
292.19968	2.4
307.19122	2.1
309.20697	100.0
310.21063	7.0
323.22452	1.3
337.23889	0.9
349.23868	1.2
353.47809	0.7
356.84885	0.7
367.24683	1.7
394.03818	0.8
459.31082	4.3
460.31467	1.0
477.32504	2.2
521.30542	6.1
522.30847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09570	1.4
57.03434	4.4
61.98815	5.3
64.40221	1.4
71.53637	1.9
78.95907	12.0
79.68175	1.7
85.02942	2.5
96.96931	1.8
109.24826	1.4
111.90169	1.4
125.09705	4.3
134.04733	1.8
139.11253	2.7
141.12833	2.4
152.99571	5.0
155.10854	1.4
165.12822	3.2
167.10818	7.0
169.12343	1.9
171.10268	11.1
185.11830	100.0
186.12132	4.8
191.05586	18.5
197.11823	2.8
201.11276	5.4
209.11815	2.5
211.09752	4.8
229.10773	8.0
233.94968	1.7
247.20616	5.7
273.18594	2.2
291.19650	57.3
292.19977	5.1
307.19214	2.4
309.17203	3.4
309.20697	64.8
310.20923	4.0
351.25385	4.5
357.16214	2.0
374.96408	1.9
459.31262	9.4
461.28448	1.7
477.31992	2.3
521.31012	6.4
534.05121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.8
61.34755	0.9
70.36876	0.7
71.01402	1.1
78.95907	3.8
84.68116	0.7
89.02470	0.8
91.04010	1.2
93.03472	1.9
95.05036	1.3
95.97533	0.7
105.03467	9.2
117.03467	1.1
117.91208	0.8
123.04462	0.9
132.02177	4.8
133.02956	40.7
134.03767	8.9
135.04517	4.9
136.01640	0.8
137.02420	2.6
147.04463	1.7
148.05280	2.9
149.02440	1.3
149.06020	1.5
152.99574	1.9
158.07362	1.4
160.01651	26.8
160.05226	0.8
161.02434	20.8
161.06058	2.6
162.02974	0.8
171.08043	1.2
175.03993	65.8
176.04254	1.8
177.01918	3.1
178.02695	2.8
179.03467	3.1
191.05594	6.7
193.05017	4.9
194.02151	1.1
233.08162	1.2
247.09792	2.3
261.11215	1.9
266.06021	0.8
271.22800	9.6
272.23154	0.9
275.12906	1.9
289.14484	1.6
303.15860	1.8
317.17700	1.8
327.19595	1.6
331.19214	1.8
340.51221	0.9
344.27173	0.8
345.20749	4.2
347.25842	2.1
359.22421	1.1
361.27405	2.7
415.24979	8.1
429.26434	27.2
430.26920	2.4
433.25748	2.9
447.27512	40.9
448.27988	3.3
468.24518	0.9
506.28937	2.5
521.31152	100.0
522.31525	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68594	2.1
57.03440	2.9
59.01375	6.6
71.52877	2.1
71.53294	3.1
78.95912	2.9
86.25770	1.8
93.03465	3.0
95.05084	2.2
96.96024	2.6
97.02952	3.8
97.06574	3.8
99.04472	2.1
123.04514	3.4
123.08138	2.1
125.09697	5.3
134.04684	3.2
135.99681	2.1
137.09711	3.4
151.11272	22.0
153.09177	6.0
155.10767	2.7
163.11282	4.1
167.10767	3.1
169.12335	100.0
170.12637	5.2
171.10236	9.2
177.12831	3.6
180.29314	2.0
185.11800	13.1
191.05746	2.1
191.14449	4.7
195.10283	2.6
207.10219	4.3
209.11761	5.1
213.11302	98.3
214.11655	4.5
225.11125	2.1
245.19038	17.9
289.18076	57.1
290.18445	5.8
299.56985	2.3
307.19141	61.2
308.19263	4.0
325.20117	13.0
521.31055	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	521.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50345	5.8
51.33305	5.8
59.01378	16.1
61.98821	11.1
71.16901	6.0
71.53479	6.5
71.53941	6.5
78.95892	18.4
82.02677	5.7
83.20523	5.6
84.18078	6.4
88.65016	6.0
103.84403	5.9
114.49178	6.2
117.63749	5.6
120.94583	6.7
121.02907	6.1
125.09726	13.7
139.00386	7.7
155.10808	6.9
167.58868	6.4
171.10265	21.6
176.12575	6.3
185.11812	24.6
191.05574	27.2
195.10437	6.0
209.11879	6.3
213.11322	13.8
214.59177	6.7
245.19081	13.2
289.18033	51.6
290.18359	6.4
292.35687	6.0
307.19144	57.6
325.20123	15.3
455.31879	8.8
485.32721	100.0
486.33118	11.4
521.31268	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	521.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.8
59.01347	24.9
61.98817	25.8
64.31026	9.4
66.77065	10.7
69.74860	61.4
78.95893	25.4
93.03506	12.5
105.47330	10.0
139.00359	13.9
152.99542	17.4
167.10773	10.9
171.10249	17.9
185.11795	15.9
191.05666	20.8
199.86794	9.8
213.11324	18.6
260.74057	11.1
289.18164	69.2
307.19092	72.9
325.20279	12.3
390.76706	12.0
420.57834	11.0
521.30566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
59.01377	27.4
61.98833	10.0
63.91068	1.5
68.48678	1.6
69.03408	2.0
69.45292	3.7
69.45699	8.3
71.01381	20.7
73.02927	2.4
85.02927	8.6
87.00849	4.0
89.02448	22.4
90.80578	1.6
93.03451	8.0
95.01384	2.0
96.95967	3.3
97.02937	2.8
101.02448	13.8
108.02177	43.4
108.02917	3.0
109.02954	78.0
109.03706	3.8
111.04517	2.0
113.02462	9.5
118.15720	2.4
119.03503	9.3
119.05027	4.4
121.02883	1.7
123.00877	2.4
123.04438	2.4
128.76379	1.7
133.02937	5.8
135.04485	5.9
136.30870	1.7
137.02472	2.1
149.02426	7.5
152.01143	52.6
153.01935	58.6
154.02328	2.8
161.02437	13.5
163.03972	4.6
164.04730	5.6
171.46255	1.7
173.04520	3.2
175.00363	8.2
176.01074	7.0
177.01927	3.9
178.52855	1.7
179.03534	3.7
179.05602	3.6
190.02750	15.5
191.03491	12.2
191.05600	27.2
192.05951	5.7
193.06088	4.1
205.05104	12.3
207.10260	2.4
223.03847	2.1
223.05974	2.9
225.11215	5.4
228.25325	1.6
283.09729	6.1
311.09290	9.9
315.07196	32.1
326.11581	6.2
329.09766	1.9
341.13849	15.0
353.08597	5.3
359.14963	2.2
461.20096	4.4
503.19415	2.6
521.12939	100.0
521.33813	2.4
522.13281	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	521.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04326	0.3
50.59443	0.3
51.62631	0.2
51.67599	0.3
56.45108	0.2
58.40746	0.3
59.01387	0.7
65.06322	0.2
68.95969	0.3
69.49141	0.2
78.95909	0.4
85.02917	0.3
93.03446	0.8
98.19811	0.5
108.02190	0.3
117.03463	0.2
119.05026	100.0
120.05359	3.1
163.04005	81.7
164.04376	2.7
191.05614	1.2
195.03191	0.3
229.92593	0.3
325.20151	0.5
455.60547	0.3
521.21155	0.4
521.33728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
55.29935	0.4
56.05787	0.4
56.54330	0.4
59.01383	2.5
68.55127	0.4
69.23592	1.7
69.24018	3.0
69.84312	0.5
71.01376	3.0
72.72929	0.4
73.02943	1.1
79.94401	0.4
85.02925	2.4
87.00867	0.9
89.02451	1.5
93.03461	1.1
95.01345	0.5
99.00908	0.7
100.98708	0.5
101.02435	1.3
108.02162	0.9
109.02952	15.1
111.04503	0.5
113.02458	1.1
121.02941	0.6
123.04559	0.6
125.02457	0.9
126.38792	0.5
133.03001	0.6
135.04495	2.0
149.04628	0.7
149.06104	0.7
159.04507	7.1
159.98499	0.5
161.02437	1.2
161.04541	0.9
161.06029	0.6
163.04015	0.7
169.01379	0.7
169.11879	0.5
171.04572	0.5
173.04622	1.0
173.06056	5.1
179.03503	1.1
180.14651	0.4
189.05591	4.1
190.06189	0.5
191.05618	11.0
191.07176	2.1
192.05925	1.4
193.05989	1.3
201.05685	0.6
202.79630	0.4
203.07054	2.3
213.05522	0.6
225.05525	1.3
227.16428	1.0
240.04230	1.8
241.05023	8.9
255.06627	7.4
255.79388	0.5
256.07162	1.0
265.08627	0.8
267.06473	1.0
269.08194	1.3
270.94498	0.5
271.09674	1.3
281.08066	0.9
295.09589	0.8
298.08331	1.3
299.09238	6.3
300.09613	0.6
313.10806	10.3
314.11038	0.7
327.13156	0.5
329.10242	5.8
343.11792	2.0
344.12613	32.8
345.13040	1.9
359.14975	100.0
360.11298	0.7
360.15381	7.3
431.14569	0.8
492.45627	0.5
521.19537	0.9
521.26678	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87064	0.9
55.01873	1.7
57.03440	1.1
58.00582	3.2
59.01376	100.0
69.48926	6.7
71.01376	64.1
72.99300	5.6
73.02950	1.5
83.01418	1.3
85.02943	10.8
87.00871	4.5
89.02441	89.8
93.03428	1.3
95.01372	3.7
98.20627	1.3
101.02437	37.0
108.02177	3.1
109.02934	3.7
113.02443	25.9
119.03493	41.1
119.04347	2.1
121.02908	1.7
122.03760	1.6
123.04529	2.1
125.02422	1.0
131.03490	3.9
133.02917	2.6
134.03737	1.0
135.04504	10.3
143.03481	7.4
149.04541	4.0
159.04477	3.5
160.05290	7.2
161.02467	8.4
161.04543	5.2
161.05956	2.2
172.05283	4.0
173.06096	3.8
174.06982	1.4
175.07614	3.0
179.03499	6.5
179.05609	13.9
187.07645	1.4
189.05545	8.4
190.06355	7.7
191.05499	5.9
192.05936	1.5
205.08653	6.6
281.08163	2.9
295.09818	1.9
296.10452	5.9
311.09549	1.5
311.12753	6.0
329.13834	3.5
341.13882	25.5
342.14258	2.6
394.45279	1.0
437.40125	1.1
489.14188	1.6
521.16687	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	521.2022
Annotation	(-)-Isolariciresinol 3-alpha-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.78127	2.3
52.94687	1.9
59.01381	20.0
60.18576	2.2
69.25499	19.9
69.25835	3.5
71.01382	16.1
73.02940	4.4
83.01402	4.3
85.02950	7.0
86.89881	2.0
87.00840	3.3
87.40707	2.2
89.02459	7.4
91.52766	2.2
95.01449	2.6
98.20584	4.6
101.02410	11.1
109.36809	2.1
113.02399	5.1
121.02929	3.1
135.04518	3.8
145.02950	3.5
153.79219	1.9
159.04585	2.7
161.02437	2.1
163.03976	2.2
191.05580	7.1
268.07391	3.4
269.08286	3.1
281.08090	8.0
282.08844	3.2
283.09741	8.1
293.08301	3.2
295.09869	4.1
299.09192	3.4
311.09128	4.7
314.08139	2.7
314.11633	7.5
315.12314	4.3
326.11572	10.4
327.12289	6.9
329.13904	6.0
341.13959	11.4
355.11771	4.7
473.14456	6.2
476.16827	8.6
488.17224	10.3
491.19208	88.0
492.19604	12.8
503.19205	100.0
504.19647	7.0
521.09210	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	3.9
59.01378	100.0
70.04557	4.1
71.01384	76.6
72.99313	5.9
85.02956	16.8
87.00861	6.5
89.02441	94.1
92.01634	5.0
93.03487	7.6
95.01369	11.9
97.02879	4.4
98.20686	10.0
101.02441	43.6
108.02190	29.3
109.02962	46.6
113.02457	22.9
119.03500	34.3
120.40670	4.4
131.03453	5.2
133.02968	9.8
135.04604	8.2
136.01627	6.7
152.01163	37.6
153.01939	44.8
161.02435	21.5
161.04547	8.0
163.03889	4.1
179.03554	6.6
179.05627	10.4
190.02730	8.7
191.03665	8.9
191.05627	25.3
192.05905	7.6
193.06168	5.4
205.05222	7.3
213.99222	5.5
238.78450	5.8
283.09833	34.3
311.09283	63.8
315.07294	22.8
325.10822	5.5
326.11508	40.6
341.13870	74.6
343.24475	5.0
369.78452	4.9
393.25406	5.0
489.29901	5.5
497.09799	5.8
521.12744	60.9
522.13440	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	521.1665
Annotation	Albidoside
Peak:m/z	Relative Intensity
59.01381	5.7
61.98838	2.0
69.03466	3.3
69.33966	3.8
69.82496	0.4
71.01373	2.8
71.25804	0.4
73.02945	0.4
74.06384	0.4
74.08620	0.4
81.03445	0.6
85.02949	1.3
87.00868	0.8
89.02448	3.0
93.03459	1.6
95.05016	0.6
98.20721	0.7
99.04540	0.5
101.02433	2.0
113.02434	1.2
117.03460	5.3
119.05026	60.1
120.05350	1.4
121.02888	0.5
121.06611	0.7
125.02455	1.3
125.06058	0.5
133.06599	1.4
135.04547	2.4
136.74274	0.4
137.02417	0.6
145.02951	15.2
146.03297	0.9
151.07669	1.4
151.66066	0.4
161.02435	0.5
163.04004	100.0
164.04358	3.3
167.10735	0.7
169.01425	0.6
177.05566	0.9
179.03474	0.8
191.05650	3.5
195.06499	0.5
197.27663	0.5
297.11105	0.8
311.09369	0.6
315.12354	2.0
344.12741	0.8
357.12082	0.6
359.04132	0.8
359.11020	0.5
359.15094	2.6
375.12912	4.4
506.17633	0.5
521.16541	1.9
521.21692	1.5
521.29773	2.2
532.36072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Lysidiside L
Peak:m/z	Relative Intensity
50.30595	2.3
51.53250	2.6
58.18488	2.7
59.01378	70.4
61.98810	2.9
69.03463	8.5
69.46897	8.3
69.47305	10.8
71.01379	76.4
73.02945	11.0
81.03453	7.7
83.01388	5.4
85.02944	17.4
87.52127	2.8
89.02442	92.4
93.03455	88.2
94.03791	4.4
95.01381	6.8
96.70491	3.0
97.02956	13.0
99.00874	12.8
101.02435	10.8
107.05004	3.3
108.02171	100.0
109.02248	3.2
109.02956	58.0
113.02455	11.5
115.04016	9.2
121.02946	40.2
121.30630	2.9
121.93067	2.9
123.04510	12.0
125.02457	41.0
131.03479	12.2
136.01616	2.9
137.02443	90.4
149.04515	16.1
151.03999	5.7
151.99994	5.8
152.01144	86.7
153.01967	28.8
153.05511	17.4
164.04733	8.3
167.10715	12.2
179.07169	8.8
179.10799	4.6
187.11703	3.2
191.05600	38.4
197.06082	10.6
199.07611	5.0
227.07150	55.0
233.06638	36.7
281.06531	6.2
293.08749	29.5
315.07047	9.8
413.11008	20.6
477.17615	56.3
478.18109	6.8
503.15570	10.2
521.16565	58.6
522.17126	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	521.1662
Annotation	3,15-Di-O-acetylbruceolide
Peak:m/z	Relative Intensity
55.07206	0.6
59.01372	2.4
61.98824	1.5
65.99581	0.7
69.21462	6.2
71.01387	4.9
72.99293	0.7
73.02965	1.5
78.22123	0.6
79.30250	0.5
81.03458	2.3
84.88738	0.6
85.02941	4.9
86.94614	0.6
87.00859	0.6
89.02434	1.8
93.03471	2.5
95.01360	3.4
101.02438	2.0
107.04989	0.6
108.02170	100.0
109.02956	66.0
110.03291	1.7
111.04538	0.7
113.02439	1.9
121.02946	2.4
122.03757	1.2
123.00877	2.7
123.04540	0.7
133.02959	0.7
135.00829	1.0
135.04544	1.4
135.11827	2.2
137.02448	2.0
141.00146	1.8
151.03987	1.8
152.01146	94.4
153.01933	31.7
154.02243	0.6
161.09795	1.4
163.04022	1.4
165.01894	1.6
179.03566	0.9
179.10770	3.3
191.05550	3.7
192.05948	0.6
195.02919	0.8
227.07106	1.0
296.25281	0.6
315.07199	3.3
477.17639	72.9
478.17987	8.1
503.15692	3.0
521.16583	65.9
522.16888	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	521.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	60.4
65.61417	1.5
67.01889	2.4
69.03455	100.0
71.01383	33.3
73.02950	9.6
73.98041	1.7
79.01089	1.8
83.01360	2.1
85.02943	6.8
87.00868	6.8
89.02448	30.2
93.03426	2.5
95.01398	3.2
95.05028	26.0
98.20612	3.4
101.02428	18.2
106.04221	8.4
109.02991	4.2
111.00875	2.9
113.02458	11.0
115.00336	2.1
117.85266	1.9
119.05025	2.1
121.02959	12.0
121.06587	43.6
123.04523	4.8
123.13670	1.8
124.43502	1.5
125.02457	3.7
131.03493	13.1
135.04483	2.1
139.00366	13.4
139.07648	4.1
149.04547	14.1
161.02415	2.7
165.05573	12.4
169.01462	1.9
175.02484	2.1
183.06606	5.9
191.05602	59.0
199.37537	2.0
209.04547	27.1
239.83998	2.2
241.04980	2.6
242.29860	1.9
259.24374	1.8
289.85110	2.1
300.99908	2.8
329.10245	1.8
344.12595	6.5
359.15027	21.4
477.16122	54.2
478.16431	7.1
521.15045	95.8
522.15320	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	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
60.99305	16.2
61.98814	1.4
68.84615	0.7
71.01364	1.2
82.45024	0.7
88.98806	100.0
89.99153	0.8
93.03433	1.3
98.20705	1.4
100.59336	0.8
101.02420	1.0
133.02943	0.7
134.03743	0.8
135.04535	1.3
140.25632	0.7
177.02008	0.7
191.05574	3.3
192.05997	1.1
193.06174	0.9
431.09692	1.6
440.47183	0.7
521.22485	2.4
535.75208	0.8
537.41626	0.8
537.49664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.4
60.99313	2.0
66.56727	1.6
67.01896	4.0
69.03452	7.4
71.01376	8.7
71.52432	3.5
79.31219	1.8
79.63860	1.6
83.01354	1.7
85.02947	7.9
87.00886	9.9
89.02447	4.3
93.03452	18.8
95.05058	2.0
96.96022	4.2
97.02962	1.8
99.00860	3.5
101.02531	1.9
109.02975	5.3
111.00940	2.1
111.04507	5.4
115.00371	7.5
119.05015	4.1
125.02409	1.9
133.02919	2.5
134.58543	1.8
135.04495	3.0
139.00430	2.0
149.06052	12.8
161.02455	13.5
163.04015	5.2
165.01933	2.6
165.05608	3.1
168.00645	2.6
173.04498	5.3
175.02486	2.2
175.03952	2.7
177.01929	7.2
182.95476	1.6
183.02991	38.0
191.05598	100.0
192.05934	3.6
198.37582	1.8
219.02930	3.2
233.04546	6.1
237.04021	4.2
245.15483	2.2
277.03552	11.2
285.04092	11.4
287.01859	5.4
313.03616	2.8
319.04453	3.7
329.02997	2.3
337.05527	6.6
337.09335	15.6
347.03793	2.6
359.13672	2.4
371.66815	2.0
477.16074	2.5
521.09296	7.2
521.15131	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	519.3692
Annotation	Hippuristerol F
Peak:m/z	Relative Intensity
54.46149	0.7
58.41339	0.6
59.01379	100.0
60.01721	1.2
61.98831	0.9
65.15680	0.6
69.84756	0.7
71.56529	0.6
78.95900	1.6
91.76184	0.7
111.73586	0.7
112.81229	0.6
121.02943	4.8
127.37414	0.8
135.04543	2.4
152.99580	2.6
191.05594	1.0
209.11792	1.2
233.66748	0.9
249.27963	0.7
305.17694	2.7
313.07245	2.0
459.34808	22.8
460.35077	1.7
519.33875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99068	0.3
57.92395	0.3
59.01380	100.0
59.86188	0.3
60.01714	0.8
61.98836	0.9
68.51176	0.4
70.20521	1.2
77.74661	0.4
78.95914	0.9
83.49770	0.3
85.02943	0.6
93.03453	0.7
93.86279	0.3
95.74836	0.3
98.20628	0.5
139.00432	0.9
169.07455	0.3
191.05611	3.2
223.27420	0.4
284.83536	0.3
309.20786	0.3
390.05099	0.4
427.32208	0.6
439.32294	0.4
459.34961	2.5
519.33624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98822	0.5
69.74807	0.8
69.75208	2.2
78.95903	7.8
79.26827	0.4
82.82642	0.4
95.05027	0.4
96.96976	0.7
111.00880	0.9
113.78741	0.4
121.02974	1.2
124.37469	0.4
125.09702	1.2
139.00401	1.9
152.99579	12.3
165.05554	0.7
167.10844	0.5
191.05644	0.9
193.08653	0.4
200.60144	0.4
209.11848	0.6
211.09830	0.8
258.52798	0.4
269.93640	0.5
289.18216	1.4
300.01147	0.4
305.17679	1.3
307.19278	1.4
309.20987	0.6
323.18707	0.5
325.20477	0.5
328.34427	0.5
411.32779	0.5
415.71280	0.4
419.29590	0.6
432.22577	0.9
439.31946	3.2
440.32635	0.6
459.34775	39.3
460.35110	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	519.3327
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
56.94921	0.5
59.01379	11.4
61.98817	1.7
62.05614	0.4
67.01921	0.5
68.03679	0.4
69.49493	3.3
71.01368	1.7
71.05020	28.1
73.02937	0.6
83.36080	0.4
85.02930	1.7
87.00868	0.9
89.02454	0.8
93.03451	3.2
96.95992	0.5
99.16302	0.5
101.02437	0.6
109.02959	1.1
111.04544	0.7
111.95336	0.5
113.02442	0.9
116.92839	1.7
121.68336	0.5
125.02438	0.5
133.02940	1.9
134.03758	0.9
135.04506	5.2
135.98358	0.7
137.02393	0.5
151.03951	0.9
161.02435	1.8
173.04541	1.4
177.01834	1.3
178.02748	0.4
179.03455	2.1
187.04079	0.6
191.05615	14.1
192.05902	0.6
194.52467	0.5
204.84912	0.5
215.05420	0.5
265.04840	0.9
285.17621	0.6
303.21121	0.9
308.08994	0.7
309.07724	0.5
319.24329	4.2
320.24670	0.8
327.08731	0.8
345.22287	0.8
347.23846	0.8
351.07104	2.2
352.07861	1.0
353.24841	0.7
361.21930	0.8
363.23297	2.2
365.24762	1.8
365.97665	0.6
385.27466	32.6
386.27817	3.4
399.23688	0.9
405.26437	16.0
406.26675	1.5
417.24786	0.8
421.11377	1.7
439.32199	1.3
455.31668	3.2
457.33331	3.6
471.30948	0.5
489.19098	0.9
499.30386	0.7
501.32773	0.8
519.33234	100.0
520.33594	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	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11261	0.5
56.66903	0.6
57.03452	3.5
59.01365	2.4
60.99277	0.5
61.98834	0.8
62.46445	0.6
69.18109	5.8
69.61716	0.6
71.01372	1.3
73.02945	6.0
78.95898	1.3
79.17208	0.5
95.54778	0.5
97.23364	0.6
98.19777	0.6
101.02396	0.7
109.35005	0.6
111.87357	0.5
162.26648	0.5
191.05589	2.8
245.04297	1.2
248.76790	0.5
249.19562	0.6
251.99323	0.5
291.19879	0.8
357.25995	0.8
373.29016	1.8
375.26871	1.0
389.28122	0.7
391.30191	1.0
407.29446	2.5
409.31192	1.4
419.29272	0.7
439.32169	11.1
439.37634	1.1
440.32452	1.3
441.33463	1.7
455.27921	0.9
457.33246	1.7
473.32596	2.1
485.32721	100.0
486.33078	13.3
487.33377	3.0
501.32309	5.6
502.32016	0.9
519.33496	9.3
520.33698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
59.01105	0.8
59.01376	9.3
60.10278	0.5
60.99310	0.7
61.98830	3.7
67.01880	0.7
69.03459	1.3
69.50948	4.3
71.01378	5.5
71.05016	10.7
72.99311	0.8
73.02932	1.6
73.10127	0.6
75.00848	0.8
81.03419	0.6
82.73293	0.5
83.01379	0.8
83.05020	1.3
85.02944	6.2
87.00861	2.8
89.02439	3.1
92.00654	0.5
93.03459	7.1
94.00165	0.5
95.01351	0.8
95.04993	0.7
97.02925	1.3
97.09489	0.5
98.19854	1.0
101.02434	5.0
106.04277	0.8
107.05036	3.7
109.02956	1.3
111.04517	1.0
113.02441	2.7
119.03452	1.1
119.05037	1.6
121.02944	0.9
121.06545	0.6
123.04462	0.9
125.02422	1.7
127.04028	1.0
129.01955	0.7
131.03525	2.7
131.04994	0.7
133.02936	0.8
135.04518	2.3
137.02400	1.0
145.02985	0.9
147.04485	2.4
149.02425	1.8
149.04523	1.7
151.04001	5.1
159.04503	1.3
161.02383	1.3
161.04646	0.9
161.06078	2.3
163.04031	1.0
165.12851	1.5
169.01364	1.0
171.03065	0.7
171.10406	0.9
173.04585	1.5
174.03200	1.9
177.01950	0.7
177.05544	0.8
179.03461	0.5
179.05551	0.9
187.04086	3.2
188.04768	0.8
189.05527	1.7
191.05602	33.1
192.05891	1.3
209.11815	4.1
211.04205	0.7
211.81215	0.6
214.02690	1.0
215.03494	1.4
227.12859	0.7
229.14438	0.7
231.02910	1.0
289.19397	0.8
295.08209	1.0
297.07617	0.6
305.22852	0.7
313.09296	2.1
385.27472	1.9
393.27713	0.7
407.29709	0.7
409.31290	1.3
417.27969	2.0
419.29630	1.5
425.30524	0.8
433.27914	0.8
437.30649	6.6
438.31070	1.0
457.33194	100.0
458.33487	13.7
459.22406	1.5
475.19733	11.1
476.20309	0.8
489.32260	2.0
519.18640	2.0
519.24707	1.0
519.33002	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	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70778	0.4
57.03439	2.9
59.01371	1.9
69.31615	0.6
70.28238	1.6
71.01368	2.2
73.02948	7.3
78.95921	1.1
83.22223	0.4
85.02943	0.6
93.03457	1.1
98.19898	0.6
101.02451	0.8
130.28722	0.5
135.00885	0.5
135.05807	0.4
165.12860	0.5
191.05614	5.0
194.08290	0.5
209.11768	0.7
211.13438	0.6
213.17781	0.5
215.05493	0.4
234.38533	0.4
287.20197	0.5
291.19666	2.1
351.07114	0.5
377.28549	0.8
389.28421	1.1
391.30130	0.5
392.27106	1.8
407.29575	9.8
408.29843	1.3
409.31403	0.7
419.29633	1.1
439.32172	2.0
441.33621	0.7
453.30127	0.8
469.29483	1.6
485.32712	100.0
486.33020	12.2
501.32227	2.8
519.23419	1.3
519.33203	7.3
520.33624	1.1
522.50037	0.6
529.31482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70760	0.7
57.03431	1.1
57.78682	0.7
59.01367	2.4
61.98828	1.3
68.19111	0.8
71.53101	1.5
75.04230	0.7
78.95898	1.2
83.05023	1.1
111.08154	3.1
125.09722	0.8
127.07676	0.9
127.11265	1.7
138.06378	0.7
153.12811	2.1
163.11188	0.9
165.12817	10.9
167.10760	1.3
169.12424	1.0
179.14391	1.1
181.12321	2.4
183.13892	28.2
184.14165	1.0
190.40800	0.9
191.05617	2.2
197.11761	2.8
199.13448	1.0
207.13844	2.1
209.11790	3.2
215.12939	0.9
226.11974	1.0
227.12862	22.7
228.13338	1.4
247.20700	4.1
273.18579	1.5
281.21146	1.0
282.25320	0.9
283.25519	1.5
291.19656	24.2
292.19998	1.2
309.20697	100.0
310.20963	7.1
312.99338	0.9
457.33331	4.3
483.30936	1.5
501.31992	5.0
519.33167	12.3
520.33331	1.3
531.17297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3327
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
51.62724	0.4
54.88162	0.5
57.03432	2.0
59.01377	3.4
69.67684	1.4
69.68116	1.2
78.95913	2.7
84.42519	0.4
91.06961	0.4
123.65284	0.4
148.95061	0.5
151.11237	0.9
152.99557	4.2
179.65636	0.4
191.05525	0.8
196.71086	0.5
207.10246	0.6
209.11809	2.5
213.11266	0.4
225.11148	0.6
265.03363	0.5
279.23334	0.6
305.17688	2.3
323.18741	1.2
429.33838	1.3
433.23352	0.8
457.33237	1.6
473.32626	0.9
475.34064	3.6
501.32468	3.9
508.32629	0.5
519.33234	100.0
520.33618	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.9
59.01381	6.4
61.98787	1.0
69.03452	4.7
69.74875	5.8
71.01370	2.2
71.05011	2.5
78.95893	0.9
80.02670	2.0
81.03455	3.2
83.05015	7.9
93.03459	0.9
95.05025	2.4
97.02926	1.2
97.06576	4.7
98.19962	1.1
104.25438	0.9
107.05043	7.0
109.06565	4.3
110.03720	1.6
111.04490	1.8
111.08179	6.7
121.02981	1.3
123.04523	1.0
123.08168	1.6
125.06093	2.2
125.09724	9.9
135.08153	8.6
137.09717	8.6
139.11310	2.5
147.08153	5.9
151.07668	1.1
151.11270	9.8
152.29713	0.9
153.09216	8.7
153.12834	1.3
161.06004	1.2
163.03891	1.2
163.11301	6.1
165.09207	15.1
165.12819	3.6
169.12335	34.4
170.12680	1.0
176.08395	3.0
177.09129	1.2
178.09958	2.6
181.12318	3.1
183.10254	19.9
184.10544	0.9
185.11810	6.6
189.12866	1.2
191.05484	1.0
191.10785	2.5
191.14423	3.1
197.11824	11.1
199.13339	1.0
207.10249	5.0
207.13815	1.0
209.08192	6.1
209.11813	79.5
210.12196	3.5
211.13370	1.7
213.11305	34.5
214.11647	1.2
217.12209	1.1
225.11320	6.6
227.09245	18.7
227.12787	2.3
236.10490	2.0
243.17487	3.3
247.20667	1.6
259.17014	1.2
261.18610	4.8
279.19604	1.6
287.16470	10.0
287.19992	3.0
291.19647	6.2
303.16025	1.4
305.17575	100.0
306.17856	6.0
307.34952	1.0
309.20691	12.9
323.18594	51.1
324.18912	4.1
331.18842	1.2
381.20932	1.0
405.22910	1.8
413.30618	1.1
439.28439	1.2
457.29819	5.1
475.30261	1.0
483.27203	2.2
501.28592	23.3
502.28778	2.2
519.29504	25.4
520.30060	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	518.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53573	0.7
55.90541	0.7
59.01362	1.8
61.79789	0.6
61.98828	100.0
68.93810	0.7
70.53276	2.3
78.95906	1.8
84.45711	0.7
90.76328	0.6
119.01929	0.6
136.79404	0.7
187.11441	0.7
191.05591	3.7
279.46390	0.8
404.22147	0.8
456.32159	1.0
470.29919	1.8
518.31976	8.9
519.32941	2.7
535.97821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82319	0.6
59.01371	4.5
61.61535	0.6
61.98829	100.0
64.30917	0.6
69.93147	2.9
71.01375	1.5
85.02941	0.8
89.02447	1.2
91.43579	0.5
101.02459	1.0
109.53661	0.6
113.02522	0.8
116.59306	0.6
117.27401	0.6
118.53170	0.5
171.10281	0.6
191.05666	1.8
293.21310	2.6
455.26474	18.9
455.32510	1.2
456.21249	0.7
456.26968	2.0
456.32535	0.8
518.32086	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	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22811	1.8
53.51292	1.7
59.01371	3.8
60.33550	1.9
71.01363	2.3
71.06637	2.1
71.52344	2.3
71.52711	2.7
75.00851	2.0
78.34807	1.7
78.58295	1.8
79.80931	1.9
79.95744	2.0
85.02959	10.5
87.00849	3.3
93.03458	5.6
96.96012	100.0
97.02919	3.7
121.02950	73.2
125.02375	2.3
129.91280	1.9
135.04517	6.4
137.02373	1.9
152.56799	2.2
159.04482	3.6
165.00555	4.2
165.01930	82.7
165.04016	3.2
166.02206	3.1
169.01526	3.1
173.04512	3.3
179.03448	2.5
183.04581	2.2
191.05606	80.9
192.05927	4.5
239.07217	2.0
265.05017	2.9
283.05988	2.1
290.36807	2.0
309.07651	4.6
327.08560	6.4
331.06741	3.1
340.62952	1.9
345.09616	2.4
357.10483	2.7
385.23538	2.0
405.50726	1.9
519.11383	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	517.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66892	0.6
52.46615	0.6
59.01381	100.0
60.01715	0.8
61.98826	1.5
62.48432	0.6
71.53069	1.3
85.02988	0.7
115.56248	0.7
121.28837	0.6
191.05637	0.7
360.33319	0.6
414.65497	0.7
517.31573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3533
Annotation	Agosterol C
Peak:m/z	Relative Intensity
52.17624	0.7
59.01379	100.0
60.55325	0.6
61.98826	1.4
62.56267	0.6
71.05032	1.5
71.44585	0.7
78.95895	0.7
79.86067	0.6
107.69592	0.6
139.16718	0.6
181.09190	0.7
213.86687	0.6
437.30392	0.8
457.33209	27.2
458.33591	3.8
517.34589	6.2
532.25598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08800	0.4
59.01376	5.6
59.03342	0.4
59.75469	0.4
61.98822	1.1
66.90139	0.4
71.52266	0.5
71.52647	0.6
71.53236	0.5
72.65895	0.4
78.95904	46.1
96.26043	0.4
96.96972	5.7
121.02936	0.7
139.00406	1.0
144.10074	0.4
150.98016	1.2
152.99583	100.0
153.99934	1.6
171.00612	3.6
191.05568	0.8
277.21762	1.2
305.17465	0.7
342.20465	0.4
344.88495	0.5
431.22006	21.9
432.22211	1.9
459.34933	0.7
518.25049	3.6
518.32745	0.8
519.26727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
59.01366	1.3
61.98828	0.8
64.36035	0.3
71.01386	1.1
71.53453	0.6
71.74876	0.3
73.02943	9.6
76.18877	0.3
78.95898	0.5
85.02937	0.4
87.37300	0.3
89.32337	0.3
93.20461	0.3
101.02437	0.3
109.06535	0.3
148.22064	0.3
153.09163	0.3
191.05550	1.7
220.43906	0.4
241.79414	0.3
293.21127	1.1
307.24371	0.4
321.25949	0.4
373.29330	0.4
377.28479	1.0
379.30264	0.3
383.68240	0.3
389.28394	2.0
392.27267	2.7
393.27933	0.6
407.29504	12.3
408.29788	1.3
408.34763	0.3
409.31000	0.7
415.36169	0.3
419.29651	0.6
439.32675	2.0
453.30078	3.6
454.30237	0.4
455.27112	0.4
473.32513	1.0
483.31583	0.4
485.32681	100.0
486.33069	11.4
517.32214	5.9
518.28748	0.5
518.35815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3532
Annotation	Agosterol C
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	1.1
61.17056	0.6
69.94586	1.2
69.95000	2.2
70.06145	0.7
74.48294	0.6
78.95894	4.0
83.05016	0.7
83.61320	0.6
91.28860	0.5
94.81871	0.5
96.21557	0.5
98.20597	0.8
119.46841	0.6
152.99586	6.5
162.10706	0.6
171.00742	0.8
181.27231	0.5
191.05544	0.7
209.11923	1.4
319.20975	0.6
344.18054	0.6
375.27060	1.6
391.30170	2.3
393.28156	0.7
406.13049	0.7
409.31393	1.1
431.21957	0.7
437.30740	5.0
438.30997	1.0
457.33203	70.6
458.33560	8.3
517.32123	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	517.317
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
53.49153	0.5
59.01374	18.8
60.99321	0.6
61.98805	0.9
67.34978	0.5
71.53761	0.6
78.95905	0.9
82.58981	0.6
123.08205	0.8
152.99568	0.6
189.12817	0.9
191.05547	1.1
212.77309	0.5
216.96957	0.5
219.24103	0.6
235.16862	0.7
269.09015	0.6
322.17798	0.7
377.28464	6.1
393.31619	7.4
411.32578	2.9
425.30972	0.8
429.33499	2.1
437.30640	1.4
439.28271	1.4
450.62784	0.7
455.31714	3.5
457.33255	7.8
473.32578	3.1
495.40549	0.6
517.31635	100.0
518.31952	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	517.3168
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
61.78781	0.5
67.00552	0.6
70.28615	2.1
70.29376	0.6
80.06335	0.6
209.91859	0.6
399.32706	1.4
409.27316	5.7
410.27753	0.9
411.32513	1.0
423.29022	17.2
424.29291	1.7
425.30643	14.2
426.30914	1.5
437.30420	0.7
439.28430	1.1
440.92773	0.7
443.31607	12.0
444.32123	1.2
455.25638	0.9
455.31644	10.9
456.31821	1.0
457.29419	1.0
469.29611	10.4
470.30096	0.7
487.30658	30.2
488.31180	3.6
517.31671	100.0
518.31995	10.8
527.69824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98825	7.4
66.42997	1.7
69.03452	6.4
69.39385	6.6
69.39792	7.3
71.01379	84.5
72.99294	5.1
73.02955	8.8
74.02459	2.4
81.03461	4.9
83.01369	3.8
84.52487	1.6
85.02942	12.3
87.00877	2.2
87.53289	1.9
89.02441	95.4
89.59379	1.6
90.02798	2.4
93.03490	3.2
97.02943	7.9
99.00889	2.4
101.02448	21.1
111.00902	2.4
113.02451	14.2
119.03508	4.5
125.02441	41.5
126.02854	2.0
127.38627	2.0
128.03539	4.7
131.03526	18.4
133.02950	4.2
134.03725	2.6
135.04517	26.7
136.04799	1.8
143.03506	4.9
143.04639	4.2
147.41989	1.7
148.05298	80.8
149.04556	29.3
158.03673	8.9
159.04463	3.1
160.00583	2.3
161.02536	8.6
161.04549	3.5
163.07632	41.5
164.07898	2.0
164.19174	1.9
168.00548	2.4
169.01419	15.6
173.04538	3.9
179.03494	17.4
181.06302	2.3
191.03975	3.2
191.05594	34.2
192.05942	5.4
193.06070	5.5
193.57556	1.8
194.64308	1.7
194.99254	2.4
200.08997	1.8
202.02705	9.2
233.06642	5.2
279.11926	1.7
293.08810	34.0
297.06122	2.3
306.07648	11.4
313.05634	3.4
351.95169	2.0
354.08878	3.7
355.09622	5.1
473.10678	25.7
474.11560	2.4
517.10004	13.3
517.18683	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	516.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53603	0.3
55.63232	0.3
59.01378	0.7
61.98829	100.0
70.27398	0.4
70.27795	0.7
79.02752	0.3
98.20589	0.3
117.34271	0.2
182.54576	0.3
185.25189	0.3
191.05681	1.0
342.77652	0.3
406.35880	0.3
485.32983	0.3
517.32336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46692	1.2
58.00592	1.7
58.95423	1.4
59.01379	100.0
61.98829	8.8
69.03458	4.0
69.24845	5.1
69.25266	8.4
69.85097	1.3
71.01381	69.9
72.99328	3.0
73.02946	8.8
73.06580	1.2
73.98149	1.4
74.02465	2.1
81.03459	4.3
83.01388	4.4
85.02947	14.2
87.00867	4.2
89.02444	82.2
92.06036	1.5
93.03454	5.8
95.01374	2.9
96.96992	1.6
97.02951	6.2
99.00887	4.6
101.02444	21.2
109.02937	1.5
111.00836	1.8
111.04531	2.2
113.02451	11.6
119.03503	5.0
123.00880	2.4
125.01529	2.6
125.02442	45.8
128.03516	4.0
131.03490	18.0
133.02910	3.3
134.03741	3.3
135.04529	31.1
136.04848	2.1
137.02382	1.8
140.01205	1.9
143.03481	4.4
143.04613	7.2
148.05301	69.0
149.04561	21.1
151.00352	2.4
158.03740	4.0
159.04436	3.1
160.00731	2.5
161.02475	12.3
161.04550	5.1
163.07640	36.2
168.00670	2.4
169.01393	19.5
173.04492	5.4
175.03960	2.9
179.03471	27.0
179.10701	2.3
180.03862	2.5
191.05602	36.5
192.06001	6.9
193.06134	4.1
193.98430	1.5
202.02742	8.6
230.23373	1.5
231.72949	1.3
233.06622	7.0
243.12344	1.6
254.07822	1.8
271.04651	1.4
272.08853	2.5
288.06604	1.7
293.08780	33.0
298.43036	1.3
306.07620	13.0
311.35791	1.3
313.05637	2.9
323.07635	4.3
337.09143	1.9
353.08713	2.1
354.09042	2.8
355.10016	5.9
455.19208	2.9
473.10730	24.3
474.11270	3.3
517.09277	9.4
517.30444	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	516.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44703	0.3
55.84263	0.4
59.01374	4.0
61.98829	100.0
62.43898	0.3
63.70715	0.4
71.01381	1.4
71.53859	0.7
73.02943	0.5
78.38179	0.3
79.95757	0.4
80.80682	0.3
80.96535	1.6
81.95293	0.4
82.96104	3.2
82.96918	0.6
85.02956	1.2
86.03320	0.5
88.79562	0.4
89.02438	0.9
92.36366	0.4
93.03470	1.6
96.97673	0.7
97.02917	0.5
101.02439	0.6
105.85397	0.4
113.02449	0.6
119.03503	0.4
119.75990	0.3
120.01248	0.3
125.02487	0.9
133.03036	0.8
135.04510	2.3
136.04872	0.7
150.98705	0.5
154.98181	0.5
160.78439	0.4
161.02444	2.4
166.98195	0.5
169.01453	1.1
173.04576	0.8
179.03520	2.2
180.03912	0.7
184.78671	0.4
191.05608	11.4
191.07373	0.6
192.05939	2.5
211.07697	0.4
227.00441	0.5
353.08914	1.5
354.08954	2.1
452.36536	0.4
453.17737	1.6
516.20367	11.2
517.20447	0.7
517.31329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37435	0.4
55.36997	0.4
59.01380	6.7
59.19290	0.4
60.01707	0.4
61.98827	100.0
62.38285	0.4
69.24334	4.5
70.07069	0.4
71.01385	1.8
73.02959	0.5
75.00876	0.5
76.15231	0.4
76.27018	0.4
78.95910	0.8
79.53725	0.4
81.88611	0.5
85.02937	3.6
87.00890	1.0
89.02431	0.7
93.03436	2.7
95.05042	0.6
96.96019	0.5
97.02960	0.4
101.02468	1.2
107.85992	0.5
109.02975	0.8
111.08835	0.5
113.02425	0.7
119.03510	0.7
120.99699	0.7
125.02433	0.7
127.04012	0.9
133.02953	0.5
135.04543	2.1
136.04852	0.8
161.02495	1.0
173.04575	1.6
174.49469	0.5
177.01921	0.9
179.03532	1.5
180.03877	1.4
183.13838	0.7
185.06117	1.8
187.06090	0.6
191.05602	37.4
192.05963	2.9
195.08298	0.5
197.06111	0.7
198.06827	0.9
199.07611	5.0
209.06149	0.6
211.07625	4.3
213.09247	0.9
224.04732	0.8
225.09203	1.0
227.07146	0.9
227.10759	1.0
237.05544	2.2
237.09262	1.2
239.07149	1.1
242.05859	0.9
243.06720	0.5
244.07474	1.3
251.07106	2.3
252.07878	0.8
253.08702	1.5
255.06624	1.5
255.10300	1.7
257.08310	1.1
269.08344	0.7
271.09866	1.1
279.06680	3.8
280.07443	3.5
281.08060	0.9
288.06207	0.5
298.08585	0.7
299.09296	1.7
300.09979	1.0
301.06989	0.5
343.08237	2.2
353.09030	1.1
354.09198	1.8
372.12292	0.6
410.13632	0.7
428.14981	0.9
429.12173	0.7
458.24631	0.5
463.53812	0.5
472.13727	0.8
516.12616	1.0
516.30145	2.5
517.31903	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3377
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
59.01379	6.6
59.21167	0.7
61.98837	1.1
70.28267	0.6
71.32825	1.5
85.02937	1.1
93.03422	1.0
135.04546	1.6
139.02731	0.7
147.19070	0.6
169.65829	0.7
173.04535	1.0
179.03499	2.3
191.05591	6.1
339.78143	0.7
353.08810	3.1
391.29977	0.9
437.36783	0.7
469.33331	1.8
515.33801	100.0
516.34021	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	515.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95808	0.6
54.94767	0.6
57.03431	2.0
59.01366	2.1
61.98824	0.8
69.03441	2.6
70.84401	2.0
71.04987	0.7
83.05030	1.2
84.23807	0.8
90.76587	0.7
109.06585	0.8
111.08147	1.8
125.09708	1.0
127.11271	1.5
141.09161	0.9
151.11272	1.9
153.09131	0.8
153.12823	3.1
155.10686	0.9
165.12834	1.3
167.10741	3.4
169.12146	0.9
177.12817	2.4
179.10759	1.4
179.14378	4.6
181.12331	2.7
191.05554	1.2
195.13907	5.4
197.11852	3.3
205.12297	4.8
207.13849	2.0
223.13373	41.9
224.13658	0.8
228.13705	1.1
247.20575	5.5
263.20261	0.8
273.18546	2.5
281.21140	0.9
291.19638	40.8
292.19937	2.3
309.20679	100.0
310.21036	6.3
341.35516	0.9
375.25626	0.9
407.10373	0.8
455.35345	0.7
497.32672	9.9
498.32883	1.2
515.33856	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2856
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01876	5.3
57.03433	4.2
58.00584	1.4
59.01379	37.1
59.01686	1.8
60.68443	1.0
69.03426	1.8
71.01381	93.8
71.52448	1.7
72.01687	1.3
72.99290	2.6
73.02944	34.1
75.00866	2.8
78.82526	1.0
78.95841	1.2
81.03445	1.8
82.19316	0.9
83.01374	11.2
85.02947	40.2
87.00871	4.3
89.02444	30.4
89.03005	1.5
93.03443	2.3
95.01378	6.2
97.02949	6.2
99.00272	1.6
99.00877	21.9
101.02438	55.2
111.00832	1.7
113.02447	30.9
115.04014	2.1
119.03487	3.9
125.02448	7.8
129.01910	1.3
131.03497	8.6
131.91698	1.0
135.04529	5.7
138.59001	1.0
143.03499	5.9
146.64912	1.2
149.04533	7.5
159.02963	6.7
161.04547	56.6
162.04980	1.8
169.07622	1.8
171.45740	1.0
173.04562	1.7
179.03513	5.1
179.05191	1.2
191.05606	18.1
205.03470	3.6
233.06688	5.4
263.40579	1.1
293.08887	1.8
353.08701	6.3
356.79761	1.1
383.19485	1.8
383.24356	27.6
384.24832	2.3
515.28656	100.0
516.29047	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	515.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34532	0.9
57.03436	2.2
59.01372	3.4
69.03461	4.8
69.65385	6.0
78.95892	1.0
93.03473	1.3
97.06558	2.1
98.19932	1.0
111.08139	1.4
122.14320	1.0
135.04539	0.9
139.11256	0.9
149.09628	1.7
161.13309	0.9
162.49939	0.9
165.12810	4.8
167.10721	4.5
167.14302	1.0
175.07556	0.8
177.12825	1.3
179.03386	1.2
179.10727	1.7
179.14417	5.4
181.12352	1.5
184.52802	0.9
191.05539	3.5
193.12428	1.1
195.13907	14.8
197.11740	2.9
199.13409	1.1
205.12326	12.0
206.12511	1.0
211.13437	1.7
217.15939	1.1
221.15482	1.1
223.13376	100.0
224.13701	3.6
247.20615	8.9
263.20325	0.9
273.18588	3.8
281.21262	1.3
291.19641	81.6
292.20181	4.5
292.23090	1.4
309.20682	82.0
310.21082	4.9
353.08676	1.6
365.09418	1.0
366.53564	1.0
384.54855	0.9
389.27087	4.4
497.32687	15.5
498.32986	2.0
515.33716	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	515.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.3
57.03433	4.2
58.00584	1.4
59.01379	37.1
59.01686	1.8
60.68443	1.0
69.03426	1.8
71.01381	93.8
71.52448	1.7
72.01687	1.3
72.99290	2.6
73.02944	34.1
75.00866	2.8
78.82526	1.0
78.95841	1.2
81.03445	1.8
82.19316	0.9
83.01374	11.2
85.02947	40.2
87.00871	4.3
89.02444	30.4
89.03005	1.5
93.03443	2.3
95.01378	6.2
97.02949	6.2
99.00272	1.6
99.00877	21.9
101.02438	55.2
111.00832	1.7
113.02447	30.9
115.04014	2.1
119.03487	3.9
125.02448	7.8
129.01910	1.3
131.03497	8.6
131.91698	1.0
135.04529	5.7
138.59001	1.0
143.03499	5.9
146.64912	1.2
149.04533	7.5
159.02963	6.7
161.04547	56.6
162.04980	1.8
169.07622	1.8
171.45740	1.0
173.04562	1.7
179.03513	5.1
179.05191	1.2
191.05606	18.1
205.03470	3.6
233.06688	5.4
263.40579	1.1
293.08887	1.8
353.08701	6.3
356.79761	1.1
383.19485	1.8
383.24356	27.6
384.24832	2.3
515.28656	100.0
516.29047	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	515.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06001	0.6
59.01368	1.3
62.11322	0.5
69.68106	3.4
69.68495	1.2
71.01350	0.7
85.02945	9.8
87.00913	1.3
93.03466	5.6
109.02942	2.8
111.04483	1.5
117.03444	0.9
121.86790	0.6
127.03973	2.4
132.02164	1.0
133.02946	7.5
135.04532	3.1
145.02873	1.7
160.01656	2.4
161.02438	51.7
162.02742	2.1
171.02878	1.0
173.04564	2.5
179.03473	3.7
187.04031	0.8
191.05603	100.0
192.06021	2.9
219.82182	0.6
281.04465	1.0
318.54019	0.6
323.07721	34.0
324.07993	1.8
353.08682	3.0
451.64459	0.6
515.13953	28.7
516.14380	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
59.01120	0.6
59.01381	7.9
61.98812	0.7
66.03471	1.2
69.95271	1.3
71.01375	5.7
71.04993	0.5
73.02954	1.1
83.01359	1.0
85.02965	2.4
85.69918	0.4
86.00089	0.4
87.00846	0.9
89.02437	2.4
94.02967	0.9
95.01363	1.0
97.35053	0.4
101.02459	3.1
105.70410	0.4
106.78771	0.5
109.26561	0.4
111.00871	0.7
113.02446	1.7
116.05062	0.5
119.03468	0.5
124.38757	0.4
135.04488	1.9
136.07649	0.5
142.06627	2.6
148.07625	0.6
154.08762	0.8
155.08836	0.4
156.08154	1.0
164.07156	0.7
166.06685	0.7
166.08710	2.2
168.08151	1.7
169.07611	2.6
173.04535	0.7
179.03448	1.7
181.07629	0.8
183.09299	2.5
191.05594	7.6
196.09752	0.7
210.12810	0.9
221.10838	1.1
222.07895	1.2
233.28606	0.4
237.14072	0.5
248.14384	0.6
249.10204	0.7
250.10739	0.4
250.15781	0.5
261.13925	0.5
263.15485	1.4
277.17053	5.9
279.11218	0.7
291.15051	6.5
303.14978	1.0
321.16034	8.7
323.17566	2.7
335.17532	2.5
349.15045	0.5
351.16971	0.5
353.09363	2.4
353.18661	52.0
354.19034	4.4
395.19763	0.5
515.23907	100.0
516.24255	10.4
516.31653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	3.9
59.01376	48.6
61.01178	2.3
64.93096	2.2
70.10847	11.1
71.01380	34.2
73.02951	4.6
75.00861	3.1
81.52101	2.2
83.01328	2.4
85.02940	10.7
87.00853	4.1
89.02448	39.1
89.44669	2.1
93.03447	20.6
96.60933	2.4
99.00868	4.8
101.02424	22.1
101.68433	2.1
111.04501	6.6
113.02428	15.5
119.03504	15.4
127.04033	2.8
129.01927	3.6
129.05579	3.4
131.03462	2.8
133.02927	2.8
135.04494	9.8
137.02390	3.5
142.99846	15.9
155.03415	5.0
161.02440	23.6
161.04526	6.9
164.04893	2.6
173.00909	4.0
173.04488	26.1
179.03455	6.1
179.05612	24.1
191.05600	100.0
192.05965	4.2
206.12579	2.6
323.07687	18.3
324.07889	2.9
341.10873	93.2
342.11127	4.3
353.08719	7.4
515.13794	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
67.01881	2.4
69.03450	0.6
71.00886	0.8
71.01379	1.2
75.78439	0.4
81.03461	0.5
83.05045	0.6
84.10497	0.4
85.02949	5.6
87.00875	4.2
88.87659	0.4
93.03455	17.0
94.03793	0.8
99.04488	0.4
109.02944	1.2
111.04517	3.0
114.82623	0.5
127.04009	1.4
129.01923	0.6
131.12910	0.4
133.02962	1.9
135.04517	16.6
136.04863	0.6
150.24103	0.4
155.03394	0.7
161.02437	9.0
162.71288	0.4
171.51697	0.4
173.04527	3.9
179.03484	12.9
180.03885	0.4
191.05594	100.0
192.05957	2.6
201.95190	0.5
234.22842	0.4
323.07700	1.4
341.06403	0.8
353.08746	10.4
354.09198	0.7
395.09793	2.8
463.53784	0.5
515.14008	47.8
516.14557	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	55.0
62.01175	3.1
70.41919	9.8
71.01376	40.2
75.00847	4.1
76.70173	2.9
79.44261	2.8
85.02962	8.0
87.00914	4.7
89.02438	59.0
101.02419	24.5
102.77240	2.7
107.03503	3.6
112.98779	3.8
113.02431	13.0
119.03465	17.0
124.98844	2.7
142.99876	20.4
143.03508	5.1
161.02473	4.4
161.04536	4.0
173.00888	5.6
173.04524	7.2
178.94539	3.1
179.05577	26.2
191.05598	25.7
197.66917	3.4
220.96466	3.2
323.07599	6.6
341.06693	6.4
341.10837	100.0
342.11322	8.9
368.22473	2.8
387.82617	3.9
414.54623	3.6
513.70111	3.1
515.13959	5.0
518.04486	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	515.119
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
59.01381	0.9
59.97421	0.4
68.45177	0.4
69.41244	3.2
71.01387	0.5
80.11137	0.5
85.02938	4.3
87.00897	0.6
93.03455	2.3
107.05042	0.9
111.04524	1.5
114.07620	0.5
120.66849	0.5
127.03997	1.5
133.02940	0.8
134.03726	2.0
135.04518	43.3
136.04854	1.2
137.02402	0.7
143.51685	0.5
155.03490	1.1
161.02451	5.1
169.07693	0.9
171.02748	0.6
173.04472	3.4
179.03487	55.6
180.03844	2.1
184.59686	0.5
191.05600	100.0
192.05978	2.5
213.36595	0.5
250.48114	0.5
353.08746	70.4
354.09103	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	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58305	1.1
59.34204	1.3
67.01882	1.4
68.66422	1.1
69.42112	7.3
71.01367	1.9
84.57147	1.2
85.02950	6.7
87.00877	2.3
92.38332	1.3
93.03469	8.2
111.04497	3.7
127.04026	2.3
130.88039	1.3
133.02919	1.8
134.03708	5.1
135.04524	67.5
136.04817	1.4
137.02361	1.4
155.03412	2.5
161.02412	6.5
173.04536	29.2
179.03488	53.0
180.03764	2.5
191.05605	100.0
192.05896	4.5
197.85802	1.3
259.33301	1.3
335.07809	1.9
353.08746	73.2
354.08994	5.9
365.13449	1.2
368.15176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1191
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
57.03443	0.6
58.47269	0.4
59.01374	2.9
61.98824	1.5
64.84914	0.5
67.01886	2.0
69.39301	3.7
69.39696	0.8
71.01375	3.6
77.33691	0.5
78.91867	0.7
78.95912	0.8
79.87646	0.5
81.03457	0.5
82.95396	1.2
83.05045	0.8
85.02938	5.9
87.00886	1.4
89.02428	0.6
93.03455	12.4
96.96004	0.6
96.96958	0.8
101.02423	0.6
108.02115	0.6
109.02949	2.0
109.30448	0.5
110.26105	0.5
111.00856	0.5
111.04509	3.9
113.02439	0.9
116.92842	2.0
125.02451	1.6
127.03999	2.3
133.02943	2.5
134.03705	1.4
135.04523	39.7
136.04842	1.1
137.02438	2.5
143.58675	0.5
155.03477	2.6
155.25101	0.5
161.02434	5.6
169.01466	1.0
169.07681	1.5
171.21773	0.5
171.57274	0.5
173.04539	45.3
174.04890	2.1
177.01930	0.7
179.03485	39.1
180.03824	1.4
191.05598	100.0
192.05928	2.4
203.03603	0.8
335.07687	0.6
353.08746	62.5
354.09076	4.2
355.25455	0.6
360.06686	0.5
515.11597	1.8
515.20001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02007	0.9
59.01387	1.6
60.99295	1.7
67.01885	3.9
69.03448	1.4
71.01373	1.9
74.75197	1.0
85.02942	8.6
87.00885	7.8
87.01356	1.4
93.03454	35.0
95.56442	1.0
98.20663	3.1
109.02939	30.6
111.04489	5.4
127.04025	1.8
129.01947	1.1
135.04553	8.1
138.07664	1.2
139.23412	0.9
145.02950	13.4
159.04448	3.0
161.02420	7.4
161.06061	7.5
173.04518	12.2
179.03467	8.1
187.02448	2.0
187.03998	13.8
191.05594	81.5
192.05969	2.6
213.01855	5.7
214.02650	3.8
225.05591	1.1
229.13014	1.1
237.05620	1.8
239.03441	2.9
240.04205	2.1
253.05103	2.9
255.06595	4.8
279.02924	4.3
280.03696	1.2
281.04514	13.7
297.07697	7.1
298.04904	1.4
305.04407	2.4
323.05573	14.9
341.06586	9.6
342.07263	1.9
419.79227	1.1
515.11914	100.0
516.12292	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	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77670	0.7
56.13431	0.7
59.01381	6.6
69.03439	1.2
70.28499	2.5
71.01390	4.9
85.02951	7.6
87.00858	1.5
89.02441	3.4
91.05537	0.7
93.03464	3.4
93.31051	0.7
95.05033	1.8
101.02451	1.9
107.05051	1.2
111.04490	1.5
112.22017	0.7
113.02469	1.2
119.03490	1.3
121.06597	2.5
127.04000	1.7
132.34384	0.7
133.02934	1.6
134.03761	4.8
135.04524	53.0
136.04851	1.8
137.02441	1.2
142.06609	2.9
152.79842	0.6
155.03491	1.8
161.02438	6.2
164.37981	0.5
169.07712	34.5
170.08075	1.1
171.02951	0.8
173.04527	8.8
179.03496	52.2
180.03848	1.4
183.09264	1.7
191.05612	100.0
192.05959	4.1
205.09367	0.6
239.11888	1.9
262.12500	0.6
265.13470	1.6
267.34793	0.6
291.15042	4.6
335.07822	1.0
335.13995	1.7
348.37195	0.6
353.08762	68.1
354.09152	4.5
512.19281	0.6
515.12451	1.3
515.20380	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70184	0.3
54.17693	0.3
59.01372	1.5
60.99314	0.3
67.01880	1.4
67.50514	0.4
69.03470	0.8
71.01357	0.9
71.29248	0.5
81.03445	0.7
83.05025	0.8
85.02946	8.9
87.00868	2.6
93.03461	8.7
104.66745	0.3
109.02953	5.1
111.04530	1.9
125.02365	0.5
127.04020	2.4
135.04527	4.2
145.02954	2.6
147.04546	0.4
149.24213	0.4
155.03470	0.9
159.04523	0.9
161.02444	1.5
161.06024	0.9
167.74078	0.4
171.02950	0.7
173.02377	1.0
173.04559	5.3
175.03970	1.1
179.03493	3.5
186.03175	0.6
187.03996	7.0
191.05600	100.0
192.05948	2.0
198.68291	0.3
201.01924	1.1
213.01920	2.1
214.02737	1.2
219.02992	0.4
225.05443	0.4
237.05554	0.6
238.06332	0.4
239.03386	1.7
240.04337	0.4
253.05026	1.1
255.06543	1.1
263.03369	0.5
279.02994	2.8
280.03683	0.7
281.04535	5.0
295.06177	0.5
297.07678	2.3
323.05588	7.1
324.05765	0.4
341.06616	4.2
353.08734	4.2
393.08438	1.0
439.58530	0.4
515.11877	26.2
516.12323	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	514.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66669	1.2
51.54362	1.1
58.02963	7.1
58.60859	1.1
59.01382	5.1
61.98829	60.9
70.45187	2.6
70.45551	2.7
71.01369	3.2
72.00918	2.2
74.02468	16.7
82.03011	1.6
85.02958	2.1
86.02477	6.7
86.99117	1.4
87.00900	1.4
87.05641	3.8
89.02447	1.4
93.03477	4.0
97.04052	2.6
98.19964	1.3
99.05640	10.2
101.02461	1.3
101.07163	2.5
102.05643	1.9
109.02928	2.7
109.04088	2.6
111.05571	1.3
112.04044	2.2
113.02409	1.7
113.03616	1.3
121.02971	2.2
121.06604	1.4
125.02463	1.9
127.05142	2.6
128.03537	33.6
131.04568	1.5
133.02963	5.6
134.03777	10.1
135.04552	21.2
135.05634	2.9
137.02443	9.3
139.04028	3.1
141.06696	2.6
142.06622	1.3
143.04617	50.4
145.06108	2.2
146.04597	4.7
153.06705	3.5
160.00722	17.6
161.02449	9.3
166.09843	2.1
167.04596	3.5
167.08237	1.6
169.01398	1.4
169.07718	14.5
173.04544	9.9
177.03384	5.7
178.02718	3.1
179.03317	18.5
179.04947	8.9
181.06200	1.5
183.11162	1.3
185.05667	2.1
191.05606	50.2
197.05678	2.4
200.90123	1.2
210.08852	8.7
229.13579	1.2
242.07880	1.5
254.07822	16.5
261.00320	1.6
272.08887	23.2
288.06555	10.6
291.14862	2.2
306.07635	100.0
307.07840	3.9
335.13757	1.4
353.08737	27.3
398.20782	3.0
451.12418	46.1
452.12820	3.9
514.19824	2.0
515.19257	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03462	0.2
58.00615	0.2
58.17233	0.1
59.01377	6.8
61.98843	0.2
69.03459	0.1
71.01382	5.1
71.10596	0.2
72.99301	0.3
73.02950	1.2
83.01375	0.5
83.05041	0.1
85.02942	1.1
86.00043	0.1
87.00874	0.6
89.02445	3.8
90.02776	0.1
91.04007	0.1
95.00874	0.1
95.01350	0.4
97.02952	0.2
99.00891	0.2
101.02440	4.5
103.03989	0.2
113.02451	2.1
115.03998	0.1
119.03487	1.0
125.02474	0.2
127.07671	0.2
131.03534	0.2
133.05086	0.3
143.03499	0.4
157.05106	0.2
161.04553	1.9
179.05598	0.6
182.13167	0.2
198.14726	0.1
205.19629	0.1
233.22731	0.4
235.08200	1.0
253.09276	15.4
254.09633	0.5
259.20660	0.3
275.20029	0.4
277.21701	100.0
278.22049	6.9
287.23740	0.1
380.70154	0.1
458.06659	0.1
466.47342	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40404	0.1
55.01876	0.3
57.03447	0.2
58.00607	0.4
59.01376	6.8
61.98832	0.4
69.03462	0.2
71.01379	5.1
72.99311	0.2
73.02950	1.1
78.95925	0.2
83.01379	0.6
83.05034	0.2
85.02935	1.1
87.00871	0.8
89.02443	3.8
90.02785	0.1
91.04012	0.2
95.01399	0.5
97.02951	0.2
99.00887	0.1
99.04515	0.1
101.02439	4.6
103.04054	0.1
113.02438	2.4
119.03503	1.3
125.02426	0.3
127.07631	0.2
133.05064	0.2
143.03496	0.5
149.04482	0.2
152.99573	0.5
157.05090	0.2
159.00706	0.1
159.38271	0.1
161.04538	1.8
175.58191	0.1
179.05591	0.7
186.93744	0.1
205.19554	0.1
233.22687	0.3
235.08139	0.9
253.09265	16.0
254.09686	0.7
259.20648	0.5
275.20142	0.3
277.21695	100.0
278.22046	7.3
513.32043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13976	0.6
57.03434	0.7
57.60631	0.7
58.00594	0.8
59.01377	74.8
61.98825	0.8
64.88950	0.6
67.38861	0.5
71.01373	10.1
72.99312	1.0
73.02923	2.0
78.95911	0.7
83.01389	0.7
85.02930	4.3
87.00883	1.2
88.61443	0.6
89.02441	11.0
93.03539	0.8
95.01376	0.9
101.02431	9.0
104.20096	0.6
113.01728	0.7
113.02455	7.5
113.58796	0.7
114.48962	0.6
119.03506	2.4
131.03549	3.1
143.03506	0.9
148.09035	0.6
149.04556	4.2
161.04521	1.3
163.11278	1.1
165.12836	15.3
177.99251	0.6
191.05621	2.8
247.20676	7.1
267.65265	0.7
273.18610	3.9
287.20236	0.6
291.19650	100.0
292.20026	6.8
305.21182	3.9
312.72403	0.7
331.43787	0.6
333.20654	4.3
345.20615	1.5
363.21802	0.9
496.71414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33678	0.4
55.01872	0.6
57.03452	0.6
58.00584	0.5
59.01379	100.0
59.35966	0.5
60.01720	0.5
60.99316	0.5
61.98828	18.0
63.99251	1.7
67.01886	1.5
69.03456	0.9
69.29121	4.0
71.01379	14.2
72.99312	1.3
73.02945	1.5
78.95914	0.5
80.96534	0.6
81.03480	0.4
83.01392	1.6
83.05029	0.7
85.02955	6.3
87.00878	3.4
88.98791	1.0
89.02448	15.3
93.03458	9.0
94.03797	1.4
95.01391	0.9
95.04987	0.6
96.96014	0.7
97.02950	0.7
97.06622	0.8
99.00879	0.7
101.02441	8.3
103.96709	0.5
109.02930	1.2
111.00881	1.2
111.04511	1.8
113.02448	4.6
113.06097	0.5
119.03496	7.2
119.04977	0.4
124.01652	0.6
125.02464	2.0
127.04028	1.2
129.01965	0.7
130.06645	0.5
131.03499	1.1
133.02980	1.0
135.04550	1.4
137.01569	0.4
137.02486	1.9
142.06621	0.9
143.03510	1.7
149.04623	0.5
149.99548	0.4
157.05338	0.5
159.04561	0.7
161.02423	1.1
161.04581	2.0
161.05887	0.4
163.03874	0.6
169.01474	1.0
172.05331	0.5
173.04576	3.6
173.05934	0.6
174.04953	1.2
179.03555	0.6
179.03996	0.7
179.05617	5.3
179.07039	0.7
187.03990	0.5
191.05606	37.1
192.05957	4.1
193.06183	0.7
194.06288	0.6
197.06117	0.7
199.04060	0.9
201.11336	0.6
209.11842	6.1
210.09314	0.6
210.12129	0.6
211.13454	0.4
227.03439	0.9
227.12871	0.7
228.04237	0.9
228.38728	0.5
238.08749	1.2
253.09430	0.6
261.18570	1.1
262.12415	0.6
264.10284	0.6
272.10510	0.5
273.15060	0.8
276.61691	0.5
281.10367	1.4
281.60611	0.5
282.07675	3.8
283.13336	2.5
284.13745	0.9
290.11182	3.8
290.61136	0.5
291.16080	0.8
299.13116	0.7
301.14554	1.1
308.13120	0.9
309.14932	2.2
325.14600	0.7
327.16092	1.2
334.11023	0.6
351.07068	0.5
353.14139	1.2
371.14914	0.8
399.15030	1.5
399.65021	0.7
408.15311	1.2
423.23801	5.2
450.14890	3.5
453.25046	3.5
491.20364	1.3
495.20386	1.0
504.21143	2.6
504.71191	0.6
512.71460	0.9
513.20129	2.2
513.27521	0.6
514.17761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
58.00583	1.5
59.01376	43.8
68.01397	2.4
69.20952	7.6
71.01380	26.4
72.99290	1.8
73.02931	2.9
78.95889	1.0
83.01373	2.2
85.02951	7.3
87.00889	1.2
89.02446	21.3
95.01379	2.7
99.00886	1.2
100.03985	0.9
101.02431	17.2
113.02437	8.9
116.05041	3.2
119.03496	9.1
124.03992	0.8
131.03502	1.1
142.06604	5.4
143.03450	1.3
149.04547	1.8
150.33432	0.8
152.07120	1.4
156.08206	1.7
161.04526	2.7
164.07167	1.5
169.07704	9.3
179.05606	1.9
183.07745	1.2
183.09262	19.0
184.09630	1.9
191.05621	1.5
219.09183	2.5
249.10329	1.1
252.10239	1.5
257.10605	1.2
265.09753	3.4
273.13751	1.8
277.09729	1.7
279.11258	1.7
285.10315	4.0
286.11145	1.3
289.13467	1.0
299.11963	1.0
301.13431	18.6
302.14008	1.0
319.14478	1.5
321.13419	0.8
321.16156	7.4
333.16058	78.5
334.16437	6.1
336.80664	0.9
351.17102	23.8
352.17203	2.3
381.22546	1.0
421.26651	0.8
513.22247	100.0
514.22662	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19516	0.6
53.04880	0.6
55.01863	0.9
58.00587	1.3
59.01378	23.9
61.98802	0.5
64.26321	0.6
68.01398	0.9
69.03460	0.9
71.01014	1.1
71.01380	17.7
71.53676	0.7
72.99294	1.6
73.02932	2.1
81.49180	0.5
83.01373	1.7
85.02952	6.0
86.65190	0.6
87.00848	1.6
89.02436	13.0
95.01340	1.4
95.82845	0.6
99.00874	1.7
99.36628	0.6
100.04011	0.9
101.02438	12.6
113.02467	5.2
116.05038	1.6
117.16608	0.6
119.03493	4.6
131.03448	1.1
142.06618	4.4
149.04546	1.6
156.08185	0.7
161.04477	2.4
164.07115	2.3
169.07703	6.9
179.05547	0.9
181.07721	1.0
183.09267	11.6
191.05582	2.4
194.08144	1.9
195.93881	0.6
206.09726	0.7
219.09122	1.4
222.07822	0.7
235.08432	0.6
241.83339	0.5
248.09480	1.3
249.10283	1.9
259.12210	0.8
265.09521	0.6
273.10394	0.9
273.13962	1.4
275.15527	4.0
276.15686	0.7
279.11163	0.9
285.10303	1.7
286.11084	1.3
287.11768	0.7
289.13535	3.9
291.15054	0.7
301.13406	10.0
302.13589	1.0
303.15042	3.1
319.14389	3.3
333.16052	28.7
334.16263	2.7
335.17432	1.3
351.17099	36.5
352.17453	3.1
381.22586	2.1
513.22186	100.0
514.22632	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	513.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85191	0.5
59.01384	5.0
61.98837	2.6
63.25539	0.4
63.96240	1.2
69.03468	1.1
70.63417	1.5
71.01384	9.0
73.02954	1.1
78.98589	5.1
79.95727	7.9
80.96516	53.9
85.02944	3.2
87.00886	2.5
89.02457	2.4
93.03469	1.5
93.32785	0.4
94.98089	13.3
95.01382	0.6
96.96017	1.4
97.02943	2.1
101.02452	3.3
106.98093	3.3
109.86059	0.5
113.02483	1.0
117.10357	0.5
117.84094	0.5
119.03486	1.1
119.05009	0.7
121.02965	0.7
122.97577	2.7
125.02444	4.5
127.04020	1.1
134.97585	4.9
136.99156	1.4
146.97624	0.9
148.99136	5.5
149.99565	0.6
150.06825	1.1
152.64133	0.4
152.98639	5.5
155.19090	0.5
161.02405	0.6
164.98618	9.7
167.00252	0.8
168.00566	1.3
169.01407	1.0
179.10756	0.9
191.05586	4.4
206.99635	2.6
213.14977	1.9
225.00748	14.5
226.01143	0.6
245.06429	1.4
299.04489	2.5
351.21634	0.7
380.78500	0.5
397.20151	0.5
409.14960	1.0
425.12769	4.2
513.20123	100.0
514.20569	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	513.201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
63.96230	0.6
69.03452	0.4
69.29438	2.9
70.31391	0.3
71.01376	5.4
73.02953	1.4
78.98592	4.8
79.95734	6.9
80.96515	51.2
81.03449	0.9
83.01418	0.5
85.02936	1.8
87.00873	2.2
87.89863	0.4
94.98084	12.3
96.96004	1.1
97.02942	1.3
101.02429	2.8
106.98094	2.3
122.97601	4.0
125.02444	3.5
127.04000	0.7
133.31749	0.3
134.97575	4.4
136.99139	0.7
148.99139	4.8
152.98634	7.0
164.98625	10.6
167.00203	0.6
179.00226	0.6
182.99678	2.3
183.13873	0.5
195.13870	0.5
206.99673	3.1
213.14946	2.6
225.00739	18.1
226.00790	0.4
243.01723	1.9
264.11502	0.4
299.04364	2.2
410.57928	0.4
473.34317	0.4
513.20074	100.0
514.20428	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1035
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
53.69658	0.2
57.03458	0.4
59.01375	1.2
60.99296	0.4
67.01892	1.8
69.03438	0.5
69.63760	1.4
71.01373	1.1
79.68375	0.2
81.03449	0.8
83.05011	0.5
85.02943	3.4
87.00869	3.6
89.02422	0.4
93.03455	10.8
94.03789	0.3
96.95995	0.3
96.96960	0.3
98.20613	0.3
99.00889	0.3
109.02953	1.0
111.04511	2.2
111.53460	0.2
113.02430	0.3
121.02924	0.4
125.02447	0.3
127.04013	0.7
129.01924	0.7
132.02214	0.2
133.02948	1.0
135.04556	1.4
155.03561	0.2
159.04562	1.1
160.01640	0.8
161.02415	2.9
163.03989	0.5
167.08470	0.3
169.01312	0.4
171.02925	0.4
173.02341	0.6
173.04518	1.5
174.03156	0.5
177.07094	0.4
179.03484	0.7
183.04575	0.3
183.08134	0.6
191.05606	15.0
192.05934	0.6
193.06570	0.8
195.08125	3.5
196.05290	0.5
196.08530	0.3
197.06088	0.5
206.07309	0.4
207.08089	0.7
209.06082	0.7
211.04076	0.3
211.07533	2.1
220.05307	0.5
221.06042	3.1
222.06784	2.1
223.07642	5.1
224.04749	1.4
225.05460	0.5
234.06825	0.4
236.04694	0.3
237.05522	2.3
238.06210	1.1
239.07098	4.7
248.04770	0.7
249.05540	3.4
250.06300	1.8
251.07126	7.5
252.04262	0.6
252.07370	0.6
253.05011	0.6
265.05020	1.9
266.05820	1.4
267.06592	11.4
268.06979	0.9
271.10962	0.5
277.05060	3.6
278.05753	0.6
279.11514	0.3
280.03632	0.5
283.06155	0.4
292.03717	0.3
293.04547	2.3
294.05191	0.6
295.06079	13.7
296.06433	0.9
296.63831	0.3
311.05603	4.7
312.05853	0.3
321.04019	6.7
322.04382	0.7
339.05060	77.5
340.05432	6.1
451.17233	0.6
495.09286	1.1
513.10339	100.0
514.10675	11.9
538.84985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
61.98827	100.0
62.56449	1.1
65.00327	5.2
69.58626	6.1
71.01376	1.8
71.05025	1.6
78.72121	1.0
81.46656	1.0
83.01381	3.1
85.02957	2.1
89.02412	1.7
93.03445	3.0
96.61422	1.0
97.02944	1.9
104.49644	1.2
107.01387	8.7
109.02930	1.9
112.94762	1.0
122.02481	1.8
125.02434	3.8
133.02892	1.8
135.04520	39.3
136.04898	1.2
139.04015	15.1
140.04330	4.5
151.00363	67.0
152.00723	1.9
161.02422	4.9
163.04008	1.5
169.01389	2.0
175.42989	1.1
179.03441	1.3
184.89699	1.1
185.07199	5.9
186.37524	1.3
191.05576	3.2
222.19562	1.0
281.09332	9.2
282.79428	1.1
287.02335	2.3
287.05597	46.9
288.05917	2.6
302.03284	1.7
311.10297	1.5
333.12396	3.9
418.17767	1.4
436.18921	2.7
449.10751	43.6
450.11072	3.4
480.17645	5.1
512.19379	2.6
513.19629	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	512.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98817	2.9
69.36286	7.5
85.02950	7.6
93.03459	3.9
98.19852	1.6
98.24841	1.1
109.02931	2.5
125.02459	1.0
127.03987	2.3
133.02946	2.9
135.04515	2.7
172.05283	1.5
173.04526	2.1
179.03403	1.4
187.07663	9.6
191.05605	100.0
192.05920	2.2
192.70314	1.0
213.09132	1.6
215.07184	2.3
216.93512	1.2
227.03481	1.9
231.10509	1.1
257.08170	15.4
312.87399	1.0
351.07138	1.7
449.14355	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	511.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24703	1.8
55.01868	2.9
57.03445	3.7
59.01381	57.8
61.98820	7.6
71.01379	44.6
71.53712	2.0
72.99277	2.2
73.02940	13.9
77.24158	2.3
78.95878	1.9
81.03434	2.8
83.01385	10.4
85.02955	21.8
85.16598	1.6
87.00878	6.3
89.02440	24.6
89.15158	1.8
93.03461	8.7
95.01366	3.7
97.02956	2.4
99.00885	5.5
101.02440	45.6
105.35847	1.8
108.07404	1.6
109.02956	3.4
111.00867	4.0
111.04492	2.2
113.02455	12.0
119.03481	3.1
125.02415	3.6
130.43431	1.7
130.49515	1.7
131.03499	18.4
133.02983	2.7
133.46681	1.6
135.04541	4.0
137.02449	2.0
139.39731	2.0
139.70244	2.1
143.03571	3.2
149.04546	7.5
151.00334	2.7
153.01941	23.8
161.04544	8.8
173.04462	2.3
177.01959	2.3
191.05603	32.4
192.05975	1.8
209.11731	2.6
211.13315	2.8
227.12854	2.2
272.02744	2.0
289.23889	3.3
300.02890	3.4
301.03165	3.5
302.03970	3.1
319.21234	51.6
320.21481	4.4
324.11392	2.4
399.14621	2.0
424.20471	2.1
448.09723	8.5
451.25293	100.0
452.26025	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	511.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09068	0.6
61.35195	0.5
61.98825	7.0
68.86733	0.5
69.37611	3.4
69.38033	1.0
71.01420	0.8
81.03452	1.7
85.02953	1.6
93.03481	1.2
95.01380	1.3
101.02418	1.0
102.07549	0.5
104.30440	0.5
108.02170	93.5
109.02959	30.6
110.03275	0.9
123.00855	1.5
123.04485	0.9
135.04318	0.5
144.10391	0.4
151.03989	1.2
152.01141	67.2
153.01939	17.5
157.91620	0.6
163.03966	1.5
165.01888	1.0
177.01866	0.5
183.13913	1.1
191.05623	1.6
195.13853	1.4
213.14961	6.4
297.52588	0.5
315.07281	1.1
466.51761	0.5
473.19449	0.5
511.21793	100.0
512.22156	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	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23408	0.3
61.98829	100.0
68.82502	0.3
70.29585	0.3
71.02175	0.5
71.02510	0.5
97.00276	0.3
100.02560	0.3
127.30108	0.4
141.37199	0.4
203.56798	0.3
219.11118	0.4
300.02573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.76196	1.4
83.47380	0.3
86.56470	0.4
93.05221	0.3
98.19965	0.4
126.44707	0.3
136.73003	0.3
187.37019	0.3
447.09555	0.8
474.55692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40277	0.6
58.54103	0.6
59.01392	1.0
61.98826	6.0
63.96230	0.7
67.94923	0.7
69.43774	4.5
71.01382	5.7
73.02943	2.2
78.98582	4.7
79.95737	6.7
80.96515	57.0
81.03487	0.8
85.02939	2.2
87.00870	1.6
93.03468	0.7
94.98083	15.2
96.95996	1.0
97.02967	1.7
101.02419	2.8
106.98098	1.8
111.01714	0.6
112.62930	0.7
113.02464	1.0
119.05023	8.6
122.97586	4.8
125.02462	3.8
127.04023	1.4
133.02971	1.1
134.97591	4.1
136.99071	1.1
148.99091	4.2
152.98622	6.4
161.02406	1.9
163.04001	16.0
163.05273	1.5
164.98611	11.2
177.89421	0.7
182.99602	1.9
191.05598	1.7
205.79210	0.6
206.99623	3.3
211.13420	3.7
214.12540	0.8
225.00743	18.1
243.01717	1.2
299.04355	1.6
301.02991	1.7
309.21265	0.7
316.71509	0.8
365.18112	0.9
448.09628	3.2
511.18488	100.0
512.18854	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	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97375	0.3
54.24310	0.3
54.68749	0.3
55.42836	0.3
59.01365	0.9
61.98827	100.0
67.97042	0.3
69.40048	2.1
71.01395	0.5
80.96539	0.5
85.02965	0.5
86.36633	0.3
99.09904	0.3
101.02425	0.4
107.02503	0.2
109.02985	0.3
118.25480	0.3
119.15697	0.3
133.02950	0.5
135.04532	2.7
151.00359	0.5
155.85553	0.3
161.02444	0.5
178.99815	0.3
179.03476	2.0
181.05083	0.4
191.05637	0.9
248.89267	0.3
255.02966	0.4
260.69415	0.3
271.02515	1.3
300.02765	2.2
301.03476	1.8
316.18436	0.3
425.73865	0.3
447.09302	3.4
449.81564	0.3
511.22165	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	12.0
65.34127	1.5
69.33000	2.1
69.33484	7.6
69.33930	1.5
70.17748	2.8
70.18070	1.7
98.19923	2.7
107.01379	2.4
108.02160	2.0
109.02981	3.1
121.02949	3.1
151.00371	9.6
172.11264	1.5
178.99825	4.6
190.15564	1.4
227.03380	1.9
243.02942	6.5
255.02968	17.8
271.02441	39.2
272.03015	1.9
283.02393	2.1
300.02722	49.6
301.03491	40.4
302.03772	2.1
447.09305	100.0
448.09738	10.2
496.17474	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69756	0.9
52.50008	0.9
55.01877	7.9
57.03455	5.0
58.00578	2.5
59.01377	52.7
60.01675	1.0
68.99806	1.0
69.76128	5.8
71.01379	80.4
72.99300	4.2
73.02947	27.2
83.00919	1.3
83.01385	17.0
85.02946	42.3
87.00852	4.8
89.02441	24.3
92.76112	1.0
93.54278	0.9
95.01390	5.9
97.02931	2.8
98.20622	2.1
99.00874	9.8
101.02439	100.0
102.31540	1.0
113.02448	39.4
119.03499	10.4
125.02470	2.2
131.03493	1.3
137.34598	1.1
143.03442	4.8
143.41393	1.0
159.02975	4.7
161.03236	2.2
161.04547	27.9
179.05597	4.8
284.16592	1.0
290.83090	1.2
300.02747	1.3
347.24353	68.8
348.24722	3.5
447.09152	2.2
459.69989	1.1
509.29651	57.4
510.30029	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	509.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.6
61.98814	22.3
71.52798	7.4
78.95903	7.9
83.05022	12.9
109.06570	12.4
110.94928	6.4
111.04485	8.3
117.66418	6.3
125.09701	14.5
163.11263	9.7
171.10242	14.1
185.11852	12.4
201.75818	7.1
203.78642	7.1
207.10226	44.8
209.11816	100.0
225.11322	17.0
227.12831	14.5
232.58063	8.3
271.02435	8.4
289.18283	9.4
300.02725	29.8
301.03534	14.7
341.01801	6.5
358.52451	6.6
447.09335	29.1
453.64658	7.1
473.25211	13.2
491.26532	21.6
509.28265	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	19.7
94.57451	0.5
96.96931	1.0
98.20618	0.9
100.51160	0.5
103.66459	0.6
152.99586	29.7
171.00620	1.5
215.86722	0.4
227.03226	4.4
245.04321	1.4
281.24841	100.0
282.25223	6.7
295.70645	0.6
417.24097	0.9
509.28836	50.8
510.29059	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.2
61.98814	34.6
66.22372	24.3
67.54641	23.7
78.95908	96.6
83.55020	23.9
92.65141	29.5
93.75864	25.4
98.20705	45.3
108.64158	29.7
152.99652	44.2
191.05632	79.1
197.11809	28.2
197.41507	24.9
215.09309	26.6
225.73044	27.9
277.21747	33.1
279.22324	75.7
309.20789	63.3
332.02625	25.9
426.98480	30.1
471.34564	100.0
507.26678	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11167	1.2
54.61895	1.2
55.01867	4.0
57.01884	1.4
57.03438	4.1
58.00589	1.8
59.01377	72.0
61.98822	6.9
70.33288	5.5
71.01382	39.6
72.99313	1.9
73.02954	14.6
80.96510	4.0
83.01388	10.2
85.02948	22.9
86.03270	1.2
87.00871	3.0
87.04503	12.8
89.02449	12.7
93.03460	6.5
95.01399	1.7
97.02936	1.5
99.00877	6.2
101.02440	46.8
109.02948	1.5
111.00889	2.4
113.02445	15.9
125.02443	3.6
127.08693	1.2
131.03499	36.8
135.04544	1.6
137.02467	3.7
143.03459	2.5
146.91818	1.3
149.04526	3.0
151.00403	1.6
159.02972	2.7
161.02388	3.6
161.04538	9.5
190.40932	1.4
191.05644	7.3
222.06142	1.2
227.03331	1.7
268.73880	1.3
271.02374	5.3
300.02783	9.8
301.03683	6.8
317.19669	100.0
318.19885	6.3
447.09332	14.1
449.23889	53.8
450.24155	4.7
492.33096	1.3
509.17261	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49252	1.0
56.30099	1.1
59.01371	6.8
61.98819	2.8
65.03947	1.7
66.10931	1.1
69.03436	1.7
70.94668	2.2
71.01376	2.0
76.06224	1.2
78.95891	2.3
80.02670	1.5
81.03443	4.6
83.05024	11.5
84.02156	1.4
92.42177	1.3
93.03442	4.6
95.05023	2.6
96.95983	1.3
97.02945	6.2
97.06583	2.5
106.33952	1.1
107.05003	1.1
109.02902	2.7
109.06587	18.7
111.04513	7.7
121.06612	1.4
123.08161	1.9
125.06079	1.5
125.09696	5.8
135.08138	4.1
136.40501	1.1
137.54082	1.1
150.99225	1.4
161.09706	2.5
163.11261	16.7
165.12851	3.4
168.47366	1.1
171.09027	1.6
171.10286	21.5
173.09705	1.3
181.12383	1.8
185.11778	9.5
189.09177	1.4
189.12936	1.3
191.10776	1.4
201.11279	1.9
207.10254	42.8
209.11815	100.0
210.12112	4.7
217.12299	4.1
221.11818	1.8
223.13321	3.3
225.11290	20.3
227.12837	13.5
231.10214	3.2
235.13348	2.5
237.11292	2.4
245.11746	3.4
249.11198	3.1
263.12793	6.8
265.14377	1.9
271.02310	2.6
281.13852	5.7
294.21548	2.9
299.15033	7.8
300.02731	4.6
301.03601	3.0
305.13779	2.4
323.14981	2.1
325.16708	1.5
329.67889	1.4
337.16446	4.3
355.18423	1.4
355.22873	2.0
373.23770	3.2
399.21753	4.8
417.22604	2.7
435.23380	1.4
447.09241	6.6
447.23511	2.1
465.24612	4.8
473.25253	15.0
474.25424	2.8
491.26468	16.6
492.26895	2.0
495.80872	1.4
509.27414	45.8
510.27838	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
59.46115	0.6
61.98828	3.9
71.52367	1.0
71.93717	0.7
72.88262	0.6
75.68379	0.7
78.95905	25.5
80.25931	0.6
82.93317	0.7
85.85262	0.7
93.03431	0.7
96.95991	0.9
96.96966	1.7
102.55534	0.6
152.99577	33.1
159.71330	0.7
171.00662	1.8
191.05630	1.7
227.03221	5.2
245.04318	2.6
255.23212	0.7
279.23267	100.0
280.23657	8.3
311.21954	1.3
377.84177	0.6
507.27203	53.5
508.27560	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2805
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
53.55520	0.3
55.01878	4.1
57.03445	3.1
57.29078	0.3
58.00591	1.0
59.01378	24.8
69.03447	1.5
69.30508	1.6
69.30923	0.6
71.01378	47.8
71.65851	0.2
72.01703	0.5
72.99304	1.5
73.02942	22.3
75.00875	1.3
81.03460	0.7
83.01385	9.4
83.01891	0.4
84.02168	0.4
85.02947	23.8
86.00105	1.1
87.00879	3.1
89.02441	13.0
90.02772	0.5
93.03458	0.6
94.79508	0.3
95.01384	3.6
97.02943	2.6
99.00877	9.7
99.04533	0.4
101.02440	39.8
102.02749	0.7
111.00881	1.6
113.02448	17.9
114.02774	0.3
115.04008	1.6
115.04704	0.3
119.03498	1.0
123.04581	0.4
125.02449	3.9
127.04049	0.3
129.01939	1.2
131.03496	4.1
135.04529	0.4
141.01979	0.4
143.03502	2.4
147.04504	0.5
148.05327	0.6
149.04562	3.6
159.02956	3.2
161.04544	18.3
162.04796	0.4
163.03975	0.5
163.07642	0.4
164.04803	0.3
165.05539	0.9
173.04541	0.4
191.05640	2.3
205.03423	0.4
211.17203	0.3
215.05641	0.6
225.18456	0.3
233.06659	3.1
275.07779	0.3
293.08859	1.0
375.23862	39.8
376.24121	3.9
419.22894	1.8
507.28043	100.0
508.28375	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
57.03444	3.4
58.58024	2.0
59.01380	100.0
61.98816	5.2
68.53929	2.0
70.09575	7.4
71.01009	3.9
71.01379	56.0
73.02934	21.6
77.01875	2.2
83.01380	8.9
85.02945	26.2
87.00865	2.5
89.02438	12.9
93.03453	3.9
95.01389	4.4
99.00887	11.3
101.02435	37.6
109.03009	2.6
113.02450	29.8
119.03493	4.4
125.02423	2.2
131.03503	60.6
135.04482	2.3
139.04008	4.6
143.03464	3.9
159.02927	5.7
161.02400	7.3
161.04552	51.4
177.01845	2.8
213.14844	2.3
240.35884	2.4
267.66492	2.2
315.18100	90.6
316.18375	8.0
340.28952	2.4
345.41476	2.2
352.68518	2.2
447.22321	25.0
448.22507	3.1
493.49414	2.4
507.18192	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03439	1.0
57.16245	0.2
58.00582	1.0
59.01380	29.1
60.01702	0.3
61.98831	17.7
65.06456	0.3
68.29114	0.3
69.03442	1.0
71.01380	24.1
71.53646	0.2
72.01741	0.3
72.99300	2.3
73.02563	0.6
73.02948	9.8
75.00867	0.4
81.03455	0.6
83.01398	1.5
85.02945	6.0
87.00858	1.8
88.98824	0.3
89.02444	25.0
90.02769	0.5
93.03439	0.5
95.01372	0.8
95.97818	0.3
96.96004	0.4
97.02936	1.1
99.00881	20.1
99.92575	0.3
100.01173	0.4
100.62898	0.3
101.02441	14.1
109.02950	0.4
111.00886	0.3
113.01717	0.5
113.02448	5.9
115.03986	0.8
115.92005	0.2
116.92857	1.3
119.03506	2.9
119.04998	0.5
121.02962	2.6
124.01653	0.3
125.02412	2.2
125.06002	0.3
125.36662	0.3
129.01869	0.4
131.03503	4.1
133.02950	2.0
135.04565	1.3
137.02428	0.6
143.03497	0.8
149.04573	2.7
161.02454	5.2
161.04541	1.6
161.09650	0.3
162.33838	0.3
163.03975	0.3
169.01317	0.7
173.04492	0.6
177.01906	1.7
177.62720	0.2
179.03456	0.8
183.13882	1.2
191.05598	7.7
192.05957	0.5
195.13893	6.1
196.14221	0.5
202.73346	0.3
213.14949	4.9
227.16750	0.3
243.06647	0.3
315.18152	1.2
345.15607	0.7
345.22629	0.4
346.18823	0.3
357.19257	0.4
375.20187	7.7
376.20325	0.7
447.21869	3.6
448.22736	0.5
489.23077	0.4
507.24377	100.0
508.24652	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	507.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.8
60.01701	1.3
61.98831	2.5
63.94468	2.8
69.03455	3.9
71.01376	23.9
73.02943	2.7
75.40278	1.2
85.02940	5.8
87.00882	4.3
88.11340	1.1
89.02442	28.3
93.03442	2.5
99.00909	2.3
101.02444	14.9
102.98586	7.7
106.10386	1.1
107.05030	22.3
108.02258	1.7
109.02923	1.5
113.02465	10.0
119.03484	13.2
119.04992	2.4
120.99665	11.8
121.02969	2.0
122.03738	3.3
125.02425	2.4
131.03458	1.3
133.02963	7.7
134.03746	33.9
135.04593	7.1
143.03479	2.8
145.02882	1.6
146.03734	68.2
147.04527	14.8
149.04675	2.8
149.06073	31.0
161.02455	23.0
161.04599	4.8
161.06081	22.9
162.03107	3.0
163.04036	2.6
164.04787	34.0
167.07130	14.5
169.01451	1.3
177.05496	2.0
179.03593	4.4
179.05603	15.1
179.07104	100.0
180.07515	3.8
183.10223	10.3
191.05621	5.0
235.30176	1.3
243.02856	1.2
251.05783	1.5
253.03828	6.9
258.89493	1.3
275.16797	1.3
281.06601	1.4
327.12363	1.3
328.11542	1.5
329.12357	15.9
445.16888	1.5
470.81430	1.3
477.17459	9.1
489.17487	13.1
490.18314	1.8
507.18600	7.5
507.27576	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	507.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
61.98833	1.7
69.03453	2.9
69.19881	4.3
69.20286	1.3
71.01379	3.9
73.02948	0.9
77.34700	0.6
79.24889	0.5
81.03436	0.8
82.37712	0.5
83.01376	1.7
84.85161	0.6
85.02946	1.5
87.00874	1.2
89.02430	1.9
93.03456	1.6
95.01367	1.9
97.02943	2.5
98.20678	1.3
99.00828	0.6
101.02428	3.2
106.06664	0.6
107.01368	1.8
109.02935	2.0
113.02422	1.7
117.03368	0.7
117.97324	2.9
118.97817	0.6
119.05040	0.8
121.02918	1.0
123.00904	7.5
124.01659	21.0
125.02441	40.8
126.02757	1.1
131.03500	0.7
132.02121	1.8
133.02937	1.8
134.03741	6.7
135.04546	4.3
137.02412	2.9
139.04002	1.1
139.63365	0.6
149.02415	0.6
149.06113	0.9
149.99582	36.9
151.00307	2.4
153.01903	1.0
155.22243	0.6
160.01663	8.3
161.02402	4.8
161.04495	1.0
163.03984	1.0
165.01917	0.7
167.03377	1.0
168.00633	57.3
169.01387	5.9
173.04582	0.5
175.03983	10.4
179.03450	2.4
181.04973	0.8
190.02751	1.3
191.03862	0.8
191.05603	4.8
191.07204	0.7
193.05035	3.7
205.05077	0.8
217.05006	0.7
258.96442	0.6
268.02505	1.1
275.09354	0.9
305.00055	0.6
313.05692	4.2
315.67523	0.6
320.69635	0.5
331.06671	16.8
337.09131	2.0
353.06564	2.1
375.23923	1.5
463.48849	0.6
477.19135	1.1
489.10446	0.8
496.86786	0.7
507.11398	100.0
507.27628	11.2
508.11719	9.5
508.28552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1143
Annotation	Moghanin A
Peak:m/z	Relative Intensity
57.44058	0.5
59.01376	6.4
61.98817	1.5
63.96265	0.8
69.03472	3.2
69.03790	0.8
69.23656	3.4
69.24083	2.3
71.01376	4.9
72.99277	0.9
73.02923	1.4
79.01878	1.2
80.45998	0.6
81.03443	0.8
83.01381	1.6
85.02931	2.2
85.69751	0.6
86.24564	0.6
87.00881	1.2
89.02415	2.1
89.69013	0.7
93.03448	1.6
95.01368	2.2
97.02969	3.0
98.03299	0.8
101.02432	2.6
107.01372	2.2
109.02943	2.1
113.02457	1.3
115.00369	0.7
116.92878	0.8
117.97324	3.7
119.04992	0.8
121.02891	0.7
123.00890	8.8
123.04525	0.7
124.01662	24.0
125.02448	46.1
126.02771	0.9
132.02156	2.6
133.02950	1.6
134.03723	7.9
135.04492	4.1
136.01688	0.9
137.02408	3.7
139.03946	1.1
149.04520	1.0
149.06053	1.8
149.99583	36.7
150.05592	0.8
151.00238	2.3
160.01657	10.7
160.34698	0.6
161.02478	5.2
163.03944	0.7
165.01909	0.8
167.03456	1.1
168.00630	65.9
169.01349	7.7
175.03981	13.7
175.17291	0.6
176.04434	0.7
179.03540	4.0
181.90793	0.6
191.04082	0.7
191.05605	4.8
193.01385	1.5
193.05011	4.2
200.64142	0.6
205.04922	0.8
217.04988	0.9
243.03061	0.9
268.02591	1.5
275.09192	0.7
311.05624	0.9
313.05734	4.5
319.19760	0.6
327.21429	0.7
331.06677	18.6
332.06952	0.8
337.09171	2.1
353.06726	2.4
489.10596	1.0
507.11368	100.0
507.27591	11.2
508.11798	10.4
508.28564	1.6
510.23300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88360	0.7
57.01952	0.7
59.01384	10.2
61.98539	0.8
61.98831	10.9
69.03459	0.8
69.55119	4.6
71.01379	4.4
73.02934	1.9
84.07207	0.6
85.02945	2.8
87.00842	1.6
88.98801	2.2
89.02438	2.9
93.03452	2.0
96.96008	3.6
98.20621	1.3
101.02422	3.4
101.71361	0.6
113.02395	0.7
116.92815	0.7
120.68383	0.6
121.02938	0.8
125.02444	1.6
133.02933	1.1
134.03740	1.2
135.04501	2.8
137.02422	3.1
139.04050	0.8
146.03760	1.1
148.05298	0.7
149.04967	0.8
149.06076	5.7
161.02454	5.5
161.04558	1.6
163.04021	1.6
164.04869	0.7
169.01451	1.2
173.04524	1.3
178.02806	1.6
179.03497	1.2
179.07079	1.6
191.05608	4.5
191.07149	0.7
192.06004	1.1
230.99197	1.0
233.11815	0.6
258.98831	0.8
282.98849	0.8
285.97488	8.6
286.98294	5.0
299.99109	1.4
300.99866	8.4
302.00458	0.8
311.99011	2.1
312.99783	1.6
313.97028	22.3
314.97806	58.1
315.98123	4.2
328.99362	35.6
329.03375	0.9
330.00137	60.0
331.00577	3.6
343.00830	0.9
344.01669	14.1
344.40631	0.8
345.02496	73.5
346.02838	4.4
444.11432	1.1
447.26138	1.8
492.05551	1.8
506.26569	1.2
507.07779	100.0
507.28244	5.4
508.08105	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	505.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91746	0.5
56.62547	0.5
57.03431	1.4
59.01371	1.0
78.95950	0.5
83.05021	0.9
85.02969	0.5
91.57466	0.8
93.81721	0.6
95.05005	0.7
97.06575	4.4
109.06605	0.8
111.08154	1.5
125.09734	0.6
127.11324	1.1
151.11281	13.5
153.12907	2.7
155.10794	1.0
165.13000	0.6
167.10764	1.6
169.01443	0.7
169.12331	28.2
170.12669	1.2
171.10220	0.6
179.14392	1.2
181.12350	2.5
181.76767	0.6
185.11716	0.7
191.05624	2.0
193.16010	0.9
195.10255	2.3
197.11789	3.0
199.13385	0.7
207.13916	2.0
213.11316	23.3
214.11665	0.9
227.12727	1.0
247.20547	3.1
263.20172	0.6
273.18677	1.6
281.21155	1.0
291.19641	23.6
292.19928	1.8
301.82797	0.6
309.20694	100.0
310.21066	6.9
343.06473	0.6
411.05258	0.5
443.31503	3.0
461.32562	0.6
469.29324	0.9
483.02829	0.6
487.30609	4.3
505.31647	10.8
506.32019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02401	0.4
57.97464	0.4
59.01368	1.5
69.21741	3.3
78.95905	9.9
85.74171	0.4
86.64270	0.4
96.96967	1.1
98.19846	0.6
108.62704	0.4
111.08141	0.4
127.07634	0.3
152.99585	16.8
169.01401	0.8
171.00662	1.4
179.80896	0.4
191.05594	2.2
197.11743	0.4
227.03255	2.8
245.04271	1.5
275.20169	0.7
277.21707	100.0
278.22052	8.2
289.18027	0.7
299.63889	0.3
307.19247	0.7
312.90814	0.4
343.06586	0.8
413.20816	0.4
505.25699	27.0
506.25983	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79330	0.9
57.03453	2.5
59.01368	3.1
69.03437	1.6
71.01382	5.3
75.00861	2.9
78.78077	0.8
78.95903	2.5
83.01397	1.1
83.05009	0.8
85.02944	3.6
87.00877	1.8
89.02431	1.5
92.06689	0.8
95.01378	1.8
97.06576	4.0
99.00851	2.5
113.02460	7.1
125.09749	1.1
131.03494	1.0
151.11273	21.5
152.69298	0.8
165.12814	1.6
167.10767	1.7
169.12335	100.0
170.12723	4.6
171.10316	2.2
181.12334	1.7
185.11809	1.6
191.05618	7.6
195.10237	2.4
197.11783	0.9
211.13449	0.9
213.11308	74.5
214.11679	3.7
231.27202	0.9
247.20734	3.1
249.06079	6.6
255.23265	25.0
263.19894	0.9
291.19647	30.0
292.20029	1.2
309.20682	75.0
310.21030	4.9
335.25885	2.8
399.32590	0.9
443.31592	5.7
461.32156	1.0
469.29724	1.7
487.30508	9.9
488.30963	1.2
505.31152	42.6
506.31635	5.6
509.57767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.7
60.77456	0.5
69.24497	1.5
69.24907	3.0
78.76288	0.4
78.95903	25.5
80.10501	0.5
85.02959	0.6
93.19396	0.5
96.96955	2.4
125.02460	1.4
152.99583	40.0
158.89134	0.5
169.01442	1.8
171.00633	1.6
171.10295	1.4
185.11894	0.6
191.05646	6.4
195.10170	0.8
197.11826	1.2
217.96323	0.5
218.44879	0.6
227.03271	5.7
233.22716	0.6
245.04324	1.7
259.20618	0.8
275.20203	0.7
277.21716	100.0
278.22073	7.6
289.18021	1.1
291.19736	1.2
307.19135	1.3
309.20651	2.7
343.06763	1.6
505.25711	55.1
506.26089	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	505.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97565	0.7
57.03435	1.3
59.01360	2.1
65.38181	0.6
69.03450	3.2
70.86266	1.6
71.01383	2.4
71.04999	0.8
73.02940	2.7
81.03453	2.2
83.05017	1.0
85.02948	6.9
87.00900	1.0
87.04504	1.4
88.15487	0.7
93.03454	2.3
97.84407	0.7
99.04506	2.4
109.02981	0.8
109.68502	0.8
111.04505	1.1
115.04027	1.4
117.05575	16.0
127.04058	1.4
145.05060	6.2
160.79250	0.6
161.04518	1.7
163.06117	100.0
164.06473	3.3
173.04477	0.8
187.75156	0.8
191.05602	69.8
191.92627	0.8
192.05959	2.4
193.06032	0.9
348.18024	0.7
394.50409	0.7
478.24496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27686	0.3
59.01376	0.8
60.99289	0.3
62.95532	0.3
69.29780	1.0
69.30205	1.4
77.03957	0.3
78.95901	1.6
85.02981	0.4
85.44431	0.3
93.03454	1.4
97.20238	0.3
113.55217	0.3
121.02955	100.0
122.03294	3.0
122.12206	0.3
125.02422	0.8
152.99599	0.8
169.01436	1.3
180.05814	0.5
181.06560	3.4
181.70903	0.3
191.05618	5.7
197.06046	3.1
207.04497	1.6
207.08325	0.5
208.05000	0.3
223.04176	0.6
225.05569	2.2
257.09671	0.9
269.08289	0.5
292.22351	0.3
313.07193	5.0
314.07431	0.5
329.07889	0.4
343.06696	1.3
353.09009	0.6
357.06134	0.9
373.10867	0.5
383.07745	0.9
417.09753	10.3
418.10300	0.9
461.12112	0.6
504.34204	5.0
504.41046	0.4
505.11386	8.4
505.18329	0.3
505.34518	2.3
506.11981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19614	0.3
55.01868	0.7
57.03442	0.7
58.00592	0.9
59.01379	23.8
61.98827	1.0
69.03447	0.9
69.41402	2.2
70.09627	0.3
71.01379	19.7
71.05015	0.4
72.09652	0.3
72.99310	0.8
73.02948	5.3
81.03453	0.8
83.01383	2.1
85.02946	6.1
87.00876	1.6
89.02443	20.8
89.03956	2.2
90.02766	0.5
93.03452	3.7
95.01398	1.0
96.96014	3.4
97.02945	0.9
97.06575	0.4
98.20669	0.5
99.00875	3.6
101.02441	13.3
101.03109	0.6
104.02688	0.4
105.03455	3.2
107.01349	0.5
107.05054	0.4
108.02187	0.9
109.02922	0.7
110.08716	0.3
111.00900	0.3
111.04528	0.4
113.02456	5.9
115.04001	0.6
116.92806	0.3
119.03490	3.8
119.04983	0.4
121.02918	0.5
125.02425	2.7
127.04068	0.4
129.01962	0.4
131.03491	4.4
133.02957	8.1
134.03458	0.3
135.04491	1.1
137.02425	2.7
139.11292	0.4
143.03499	0.8
144.91074	0.3
147.04518	0.6
149.02480	1.1
149.04546	9.4
150.03203	0.5
151.00182	0.3
152.01166	0.7
153.01888	0.5
159.03000	0.5
161.02400	0.6
161.04626	2.3
161.05942	0.6
163.04044	0.4
165.05569	0.8
169.01378	1.8
173.04561	0.5
176.01186	1.1
177.01923	100.0
178.02301	4.0
179.03511	0.4
179.05602	0.4
183.10272	0.6
191.05602	15.9
192.05957	0.9
198.03195	0.4
209.11861	0.7
211.16922	0.4
213.07661	0.4
233.06590	0.8
243.12184	0.3
251.07593	0.6
271.02731	0.4
283.13400	0.4
293.08871	1.2
300.02686	0.3
315.07309	2.0
343.06775	2.0
343.15491	0.6
353.08707	1.2
373.22281	10.8
374.22604	0.5
445.20715	0.5
504.34171	0.8
504.71570	0.6
505.17279	11.9
505.26532	35.5
506.17377	1.0
506.26834	3.1
526.33466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00542	0.5
58.97627	0.4
59.01376	3.9
61.98837	0.9
67.01884	1.4
68.68553	0.5
71.01365	2.0
71.02161	0.9
71.49234	0.5
73.02952	0.7
81.03436	0.9
83.05015	0.8
85.02946	13.5
87.00874	5.4
89.02442	1.4
93.03452	8.8
94.03796	0.5
99.04520	0.6
99.67583	0.5
101.02412	1.1
109.02955	0.9
111.04507	2.5
113.02429	0.6
114.95350	0.5
125.02405	1.1
127.04015	3.5
131.03471	0.7
133.03024	0.8
133.57846	0.5
135.04501	0.5
137.02443	0.6
143.03445	0.6
149.04550	0.6
155.03593	0.6
158.03726	1.2
161.02403	0.6
163.03925	0.6
169.01454	1.6
169.02815	0.6
170.03725	1.7
171.03004	1.0
173.04538	3.3
174.03191	2.0
176.04747	1.0
177.01909	4.2
182.03712	2.1
183.04488	2.1
185.02504	0.5
186.03160	0.9
190.79970	0.5
191.05598	100.0
192.05946	3.2
197.02440	1.8
198.03214	19.3
199.03798	2.1
201.05597	0.9
202.02661	4.4
203.03532	1.7
209.02428	0.6
210.03145	2.9
211.04001	2.4
213.01912	2.4
214.02701	2.3
225.01939	2.2
226.02711	4.2
227.03482	2.7
229.01360	3.9
229.05086	0.9
230.02129	2.7
241.04973	2.6
253.01425	3.9
254.02121	2.8
255.02995	1.9
257.04550	2.1
259.06076	4.6
269.00552	0.5
269.01297	0.6
269.04529	7.9
270.04791	0.5
273.04022	2.5
281.00967	1.9
284.03223	0.6
285.04037	4.5
287.05545	2.1
297.00330	5.2
298.01154	53.8
299.01395	3.3
303.05057	4.5
313.03522	37.1
313.07281	1.0
314.03851	2.5
331.04556	25.2
332.04892	1.7
343.06750	1.6
353.08752	0.6
461.10886	3.0
505.09894	15.5
505.26822	0.8
506.10330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43983	0.2
55.01846	0.2
55.55936	0.2
59.01377	1.6
59.31451	0.2
61.98819	0.4
65.91995	0.2
66.09999	0.2
67.01881	0.3
69.03457	0.3
71.01381	1.6
73.02929	0.6
79.04393	0.2
83.01391	0.2
85.02949	5.1
87.00862	1.3
89.02409	0.4
92.01515	0.2
93.03459	2.3
98.56131	0.2
101.02453	1.1
109.02958	0.5
111.04506	0.7
113.02440	0.4
125.02419	0.5
127.03998	1.6
133.02902	0.8
135.04500	0.7
143.03383	0.3
161.02429	2.7
161.04544	0.5
169.01396	0.9
171.02991	0.4
173.04543	1.0
179.03471	0.9
191.05600	100.0
192.05928	3.1
229.23085	0.3
343.06558	0.7
353.08737	22.0
354.09042	1.7
364.29053	0.2
373.22415	0.5
403.85925	0.3
465.12601	0.2
505.09851	2.0
505.26596	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	505.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65044	0.2
59.01371	0.5
70.97168	0.4
71.01356	0.5
85.02946	5.3
87.00869	1.1
93.03465	1.7
94.79007	0.3
95.81313	0.2
109.02983	0.3
111.04499	0.6
113.99548	0.3
122.02136	0.2
122.60361	0.2
125.02403	1.2
127.04001	1.8
133.02921	0.7
135.04553	1.2
161.02417	3.4
169.01436	1.2
171.02893	0.3
173.04477	1.1
179.03459	0.9
191.05597	100.0
192.05931	3.5
205.74699	0.2
343.06656	1.2
353.08740	17.7
354.09039	1.2
469.13535	0.6
505.09818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99643	0.7
59.01365	1.7
69.62286	2.9
69.62712	1.9
71.01376	0.9
80.57600	0.7
84.79604	0.8
85.02948	10.4
87.00869	1.9
93.03467	4.3
98.19864	1.1
107.01383	27.3
111.04559	3.4
123.00860	1.1
125.02441	60.1
126.02773	1.8
127.04001	2.8
133.02985	1.2
135.04555	0.9
139.00333	0.8
150.42311	0.8
155.03465	2.6
161.02411	2.2
169.01411	80.7
170.01746	2.7
173.04541	2.0
191.05600	100.0
192.05913	3.0
204.07182	0.8
259.69421	0.8
280.10330	0.7
335.07571	1.0
343.06659	72.4
344.07004	4.5
353.08734	3.2
468.18976	0.7
505.09933	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	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
70.53417	0.6
71.05012	0.8
73.64421	0.2
75.16621	0.2
75.47365	0.2
81.32051	0.2
83.05029	0.3
85.02988	0.2
87.00868	0.4
87.58663	0.2
93.03449	0.5
104.71509	0.2
110.89876	0.2
133.02933	0.4
135.04489	0.3
143.32455	0.2
156.58926	0.2
173.04541	0.2
191.05602	2.4
192.05946	0.3
209.11774	0.5
211.13390	0.7
215.05536	0.2
264.18982	0.2
306.52216	0.2
316.79462	0.2
325.14627	0.2
351.07083	0.3
377.28094	0.3
387.29236	0.3
393.31793	0.3
401.28394	0.4
419.29373	0.7
421.31085	1.1
439.32071	1.1
440.32120	0.3
441.33829	1.1
443.31540	1.6
459.34753	1.5
471.31311	0.3
485.32690	17.2
486.33075	2.5
503.33755	100.0
504.34103	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	503.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
67.91508	0.2
70.34963	0.6
73.02966	0.1
78.95898	0.4
81.71195	0.1
85.02930	0.4
93.03441	0.2
94.87826	0.2
95.57439	0.2
146.48154	0.2
173.04433	0.2
191.05624	2.3
283.13260	0.2
391.29828	0.2
409.30923	0.3
503.33755	100.0
504.34122	13.5
504.41946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01376	2.3
59.64754	0.4
61.98804	0.5
67.01879	0.4
69.85254	0.4
71.01376	1.2
71.05041	0.4
71.53684	0.6
73.02931	0.7
81.03463	0.7
83.05035	0.8
85.02948	2.7
87.00875	1.6
89.02415	0.7
93.03473	4.5
101.02428	0.7
109.02948	1.3
109.06579	0.6
111.04536	1.3
113.02425	0.8
123.04533	0.9
132.02191	0.5
133.02954	4.2
134.03784	0.5
135.04515	3.2
137.02414	0.7
155.03465	0.7
163.11226	0.6
173.04515	3.5
175.53641	0.8
176.03862	0.6
177.01927	2.4
179.03487	1.4
183.13956	0.6
191.05605	19.0
192.05898	0.9
207.10281	1.3
209.11827	6.8
211.13409	7.1
211.15364	0.6
212.13763	0.5
215.05559	2.9
225.11357	0.9
227.12769	0.6
253.09402	0.8
273.93396	0.6
281.10178	0.6
351.07190	3.4
353.13733	0.8
363.26834	1.2
377.28506	1.0
377.95422	0.5
379.29837	1.6
384.63782	0.5
387.26764	0.8
389.28522	0.6
391.29810	1.1
393.31873	1.0
399.14917	0.6
401.28491	0.6
403.30246	0.6
407.29538	1.1
409.31134	12.3
410.31638	0.6
419.29462	0.7
421.31180	3.9
425.30426	0.4
439.32315	0.8
441.34000	4.0
442.34094	0.6
453.30121	5.1
454.30328	0.6
457.33212	2.7
459.34879	0.6
461.20636	0.6
473.32605	2.0
485.32715	5.0
486.33151	0.6
494.19199	0.5
503.33786	100.0
504.21988	0.6
504.34167	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	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36018	0.2
71.05004	1.0
78.36816	0.3
92.77716	0.2
113.31510	0.2
123.58009	0.2
125.92248	0.2
126.45651	0.3
139.22444	0.2
191.05576	0.8
229.67188	0.3
393.31488	0.4
419.29410	0.5
421.31097	1.4
439.32083	0.9
441.33762	0.4
443.31479	1.1
444.31613	0.3
459.34818	1.8
485.32693	15.8
486.33191	2.3
503.33762	100.0
504.34128	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	503.3376
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
56.67293	0.1
59.40080	0.1
69.72906	0.5
72.05698	0.1
78.99010	0.1
79.15994	0.1
91.85925	0.1
98.19875	0.2
104.37085	0.1
115.51994	0.1
175.11269	0.2
178.48138	0.1
191.05615	0.4
218.65637	0.1
377.28510	0.9
379.29968	0.3
389.28738	0.2
391.30002	0.2
407.29437	1.4
408.29706	0.1
455.31577	0.3
503.33734	100.0
504.34064	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32789	3.7
53.99327	3.4
58.00585	7.8
58.68902	3.1
59.98531	8.4
60.99312	32.8
61.98832	7.1
69.37270	26.9
71.39492	3.5
73.02952	6.3
78.95914	12.3
97.02939	8.2
97.06592	10.1
121.02948	4.2
132.27414	3.6
152.99585	8.7
181.12234	3.7
191.05603	6.6
231.21013	5.2
245.04259	14.4
251.16444	6.4
275.19983	8.4
278.22061	9.8
309.20734	22.0
374.26538	4.7
381.28076	4.2
387.30820	4.6
389.28546	8.9
393.31555	5.1
405.31607	5.0
406.28751	36.5
407.29260	6.4
421.31033	13.7
423.32672	47.4
424.32977	4.3
425.34155	14.9
433.22464	7.0
439.32135	5.7
457.33273	22.9
467.31561	9.1
469.33221	100.0
470.33301	14.6
485.32526	4.3
503.07211	5.1
503.33957	73.2
504.33939	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.1
59.01374	0.8
71.01360	0.5
71.05256	0.3
73.02942	0.6
74.87517	0.4
76.91338	0.3
78.95890	0.5
97.06584	1.4
105.19648	0.3
191.05594	1.1
318.37274	0.4
374.26120	0.6
381.27991	0.7
387.30591	1.0
389.28586	2.7
390.28961	0.6
405.31760	0.6
406.28683	5.6
406.37094	0.5
407.29434	2.2
421.31262	3.2
423.32709	8.1
424.32971	1.0
455.31168	0.6
457.33307	1.0
469.33191	100.0
470.33527	13.2
473.28708	0.6
485.32870	1.7
503.34216	9.9
504.33875	1.1
512.04321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37696	0.2
52.00004	0.2
52.55970	0.2
59.01110	0.3
59.01380	3.5
61.98811	0.8
69.50262	1.7
71.01380	3.1
73.02936	0.8
78.95889	0.3
82.75294	0.2
82.94464	0.2
83.01388	0.6
83.05035	0.3
85.02947	1.9
87.00871	0.6
89.02435	1.8
93.03442	1.3
94.20695	0.2
94.74689	0.2
95.01365	0.3
95.20775	0.2
96.23125	0.3
97.03002	0.3
98.19950	0.5
101.02439	1.8
109.02949	0.5
111.04478	0.2
113.02423	0.8
119.03482	0.5
131.03513	0.5
133.02980	0.5
135.04517	0.8
137.02394	0.7
143.03473	0.3
155.25835	0.2
161.02412	0.5
161.04594	0.3
173.04491	0.9
178.02711	0.3
179.03392	0.5
181.12357	0.7
191.05598	10.2
192.06033	0.3
195.13960	0.3
199.04115	0.3
209.11804	0.6
223.13457	0.3
225.11313	1.8
227.03522	0.3
267.12323	0.4
279.19568	1.2
281.10297	0.5
281.60709	0.3
283.13382	0.7
311.12811	0.4
353.13953	0.5
371.20584	0.6
399.14996	0.4
429.06595	0.3
439.32153	0.6
449.14017	0.3
457.33127	0.7
458.15265	0.3
459.27402	0.5
459.34726	0.4
485.12064	0.2
485.19891	0.3
503.33722	100.0
504.21298	0.7
504.34076	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	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.84511	0.6
57.03459	1.3
59.01363	1.4
61.98837	0.9
71.01392	0.6
71.52464	0.9
78.95908	8.3
80.98138	0.6
85.88528	0.6
97.02956	1.1
97.06565	0.8
112.64987	0.6
135.04555	0.8
166.99834	0.9
191.05646	2.0
224.06993	2.5
225.07341	0.8
277.21750	7.6
278.22070	22.4
291.19803	0.9
309.20740	3.7
355.26587	1.3
383.29706	1.6
399.29010	4.7
400.28729	0.9
457.33261	4.2
459.34622	0.7
469.33408	0.8
471.27591	1.1
485.32986	1.8
503.33917	100.0
504.34219	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01878	3.2
57.03458	2.8
58.00580	1.3
59.01380	21.9
61.98824	1.7
69.03446	1.8
69.58471	2.2
69.83496	0.5
71.01379	47.9
72.99284	1.6
73.02941	19.8
75.00864	1.5
81.03449	1.1
83.01385	7.3
85.02946	22.6
87.00885	2.7
89.01879	0.6
89.02439	11.4
93.03433	1.0
95.01388	3.8
96.95979	0.8
97.02940	4.0
98.19935	0.8
98.38023	0.4
99.00874	9.3
99.04503	0.8
101.02438	37.1
102.02768	0.7
109.02930	0.7
111.00854	1.0
113.02454	17.4
115.04006	2.6
119.03444	0.9
123.04512	0.7
125.02432	4.4
129.01939	0.9
131.03477	3.2
133.02946	4.9
134.03719	1.9
135.04521	23.1
136.04929	0.5
137.02423	1.1
139.03920	0.7
143.03496	2.5
148.05327	0.7
149.04535	2.7
149.06007	3.7
159.02982	4.0
161.02426	16.7
161.04538	25.4
162.02797	0.8
162.04814	0.7
164.80046	0.4
165.12852	0.6
173.04518	0.5
177.01956	1.1
177.05550	6.8
179.03484	22.4
180.03766	1.0
191.05617	3.9
203.03484	0.5
209.15462	1.9
221.04535	10.8
233.04546	0.7
233.06609	3.9
251.05576	12.9
251.08029	0.8
252.05768	0.4
281.06650	21.4
282.07028	1.4
293.08817	2.3
311.07922	0.6
311.15015	1.0
323.07733	0.5
341.08707	6.1
341.12326	1.0
371.20721	22.3
372.21088	1.3
443.19385	0.7
503.24960	100.0
504.25333	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	503.1561
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
55.01873	0.6
57.03441	1.1
59.01122	0.5
59.01373	13.5
65.79488	0.4
68.86073	0.4
69.03448	0.9
69.16769	4.1
71.01378	13.8
72.99299	0.6
73.02947	3.9
79.50486	0.5
83.01396	2.5
85.02943	5.3
87.00864	0.6
89.02445	4.4
90.41497	0.4
93.03396	0.7
95.01392	1.7
96.32845	0.4
96.96010	0.9
97.02939	1.3
99.00873	1.8
101.02437	10.7
105.03442	0.7
108.02162	0.5
109.02944	2.2
111.00878	0.8
113.02448	5.7
119.03495	0.8
121.02969	1.0
125.02446	1.4
131.03543	0.6
132.02158	0.9
133.02951	18.1
134.03770	4.5
135.04520	92.1
136.04852	2.1
137.02455	3.3
139.04005	0.9
145.02966	0.6
147.04523	0.5
148.05261	3.0
149.06068	16.7
159.03023	0.7
159.04425	0.6
159.24487	0.4
161.02432	74.0
161.04367	5.3
162.02797	2.8
163.03958	1.1
164.04665	0.7
173.04602	0.7
175.03986	1.2
177.05559	33.1
178.02716	0.8
178.05939	1.5
179.03487	100.0
180.03838	3.4
189.05560	0.9
191.05557	1.4
203.03520	2.4
207.06555	0.7
219.25626	0.5
221.04535	45.6
222.04909	1.9
233.04553	1.0
233.06729	1.1
251.05589	51.2
252.05904	2.1
258.92648	0.5
281.06647	83.8
282.06900	4.6
293.08853	0.8
305.06537	1.2
311.07709	1.1
323.07623	3.1
341.08740	27.5
342.09119	1.9
371.20724	5.8
503.16852	0.9
503.25021	19.3
503.32471	0.7
504.25327	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.81748	1.2
57.03455	2.3
58.00603	1.2
59.01376	20.6
60.81068	1.1
61.98845	6.0
62.90757	1.2
63.35993	1.2
69.03447	5.4
71.01380	20.8
71.53421	2.3
73.02948	8.0
81.03457	2.2
83.01379	3.6
83.05038	1.4
85.02938	10.2
85.06577	7.1
87.00874	3.5
88.98782	2.9
89.02442	15.1
93.03439	2.9
95.01369	3.2
95.05029	1.4
96.18345	1.2
96.43044	1.4
97.02926	5.0
97.66909	1.1
99.00872	8.1
101.02441	16.9
107.01363	1.5
109.02930	3.7
113.02470	6.6
115.04025	14.5
123.00877	7.4
123.04517	2.2
124.01669	18.4
124.53757	1.3
125.02448	51.4
131.03514	3.2
133.02992	7.4
135.04529	31.3
137.02467	6.5
139.00377	1.6
139.03996	4.0
149.04509	6.6
149.06149	1.7
149.99573	30.1
151.00320	4.0
161.02428	27.0
161.04469	8.2
163.03993	1.6
167.03458	2.8
168.00635	57.6
169.01425	12.2
173.04611	2.1
177.01810	1.6
179.03511	22.8
180.95607	1.3
189.05516	1.8
191.05566	12.6
204.48581	1.3
205.01370	2.8
208.80121	1.4
211.04340	1.6
221.04507	2.1
251.05626	3.7
299.09219	2.8
313.05594	12.3
323.07736	5.1
329.02951	3.4
341.08905	1.5
366.49240	1.4
371.20660	10.5
395.33621	1.9
436.34650	1.4
441.17636	2.3
459.12897	1.7
503.13922	100.0
503.24942	28.2
504.14407	11.6
504.25360	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	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03417	0.6
58.00586	0.7
59.01377	15.1
59.88342	0.5
61.75957	0.5
61.98827	0.9
69.03486	0.6
71.01380	12.4
71.53324	0.8
72.99313	0.9
73.02940	3.2
75.00902	0.7
77.51650	0.5
83.01391	2.6
85.02943	4.6
86.00096	0.5
87.00893	1.3
89.02437	5.5
91.05572	0.6
93.03481	0.8
95.01369	0.9
95.94686	0.5
97.02959	0.7
99.00895	2.3
101.02438	7.8
107.05027	1.1
109.02922	1.1
111.00887	1.5
113.02445	4.2
119.03532	1.0
125.02459	0.9
131.03535	1.0
133.02948	7.0
134.03741	4.0
135.04520	100.0
136.04866	2.3
145.02991	1.2
147.04498	0.7
149.04587	1.4
149.06064	1.4
157.06857	0.5
159.02951	1.1
161.02434	15.6
161.04420	2.4
161.05801	0.6
175.03998	0.9
177.05576	1.6
178.05934	0.5
179.03487	93.4
180.03816	3.5
189.05621	1.0
191.05646	2.8
192.63350	0.5
203.03479	1.6
207.06506	0.7
221.04573	2.2
223.27800	0.5
233.04514	1.8
233.47557	0.5
238.06313	0.6
239.07085	0.6
245.04507	0.7
248.08640	0.5
251.05573	31.4
252.05904	2.0
255.10262	0.8
265.08661	1.2
267.06577	1.9
268.07413	0.8
280.07376	1.4
282.08960	3.4
283.09723	1.6
293.08398	3.2
293.11267	0.5
294.08801	1.5
295.09833	3.0
309.11292	1.2
311.09348	2.9
312.09906	1.4
314.07935	2.3
323.07690	2.2
325.10452	0.7
325.96027	0.6
326.11566	8.9
327.12360	7.5
328.12793	0.8
340.09341	0.8
341.08810	2.5
341.13885	9.5
355.11731	5.0
369.13538	1.8
371.20636	1.8
445.15051	1.2
473.14413	3.9
488.16821	7.1
503.11890	15.9
503.19168	65.8
503.25015	4.6
504.12302	1.8
504.19504	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	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43337	0.1
59.01377	0.9
59.98542	0.1
61.98838	0.2
63.03890	0.1
65.54855	0.1
68.48346	0.1
71.01402	0.3
71.52478	0.2
78.95901	7.0
83.05033	0.3
96.96969	0.1
105.18488	0.1
107.08514	0.1
127.07655	0.2
152.99573	0.7
168.04297	1.9
191.05714	0.1
198.89650	0.1
223.94844	0.1
224.06943	1.3
233.22748	0.4
242.07973	3.4
259.20673	0.5
275.20123	0.4
277.21701	100.0
278.22049	7.9
278.25287	0.1
347.55478	0.1
502.29306	6.8
503.28687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1191
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
54.46358	0.4
55.01867	0.5
56.56178	0.4
56.98172	0.4
57.03456	0.7
59.01379	10.3
59.01654	0.8
61.91097	0.4
61.98840	1.7
66.86327	0.4
69.39532	1.0
69.39932	2.9
71.01380	8.5
72.99313	0.8
73.02953	2.0
78.95917	0.7
83.01404	1.3
85.02946	3.2
87.00870	0.9
89.02437	3.3
93.03461	0.5
93.92078	0.4
95.01392	0.5
98.19971	1.0
99.00880	1.2
101.02451	5.6
107.05058	1.6
109.02942	1.2
111.00866	0.9
112.93692	0.5
113.02472	2.9
117.03464	0.6
119.03519	1.1
125.02436	0.7
131.03535	0.9
132.02185	0.5
133.02966	6.8
134.03761	4.1
135.04527	100.0
136.04865	3.2
142.49837	0.4
145.02939	0.9
147.06563	0.6
149.04541	1.1
149.06099	1.2
161.02441	16.2
161.04578	1.8
161.05988	0.9
162.02863	0.6
175.03954	0.7
177.05557	1.3
178.05815	0.5
179.03494	93.4
180.03868	3.6
184.92841	0.5
189.05542	1.2
191.05579	2.8
203.03496	1.3
213.90175	0.4
216.02673	0.4
221.04556	2.7
232.64528	0.4
233.04530	2.7
251.05602	31.0
252.05916	1.9
265.08807	0.7
267.06613	1.6
268.07462	0.6
280.07401	0.9
282.08923	1.3
283.09698	1.2
293.08276	1.7
294.08951	0.6
295.09692	2.0
311.09155	1.7
314.08005	1.5
323.07684	1.7
326.11557	5.4
327.12277	3.9
341.08783	2.4
341.13864	5.6
355.11801	2.4
356.12479	0.6
369.13226	0.6
371.20706	1.3
473.14612	2.7
488.16742	3.9
503.11804	16.5
503.19138	36.9
503.25006	2.4
504.12155	2.8
504.19492	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	502.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.68551	0.7
71.52106	0.5
71.52478	0.7
79.38825	0.6
117.64087	0.5
120.63753	0.5
146.88115	0.5
155.84178	0.6
191.05545	0.7
196.83022	0.5
234.14645	0.6
305.24991	1.3
435.08734	0.5
451.91095	0.6
458.99872	0.6
502.32779	0.7
503.33847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
66.26567	1.0
69.26865	7.7
82.31824	1.1
85.72147	1.0
92.28845	1.0
93.57043	1.1
95.78405	0.8
218.15002	1.0
495.60910	1.0
498.44888	1.3
502.32526	2.2
503.33710	2.2
513.36127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50996	1.0
61.98829	100.0
62.65382	1.0
66.62771	0.9
90.72352	1.1
98.20662	3.5
110.21284	0.9
179.47588	1.0
182.81161	0.9
191.05551	1.0
229.25478	1.2
279.79120	1.1
394.08740	1.2
434.42221	1.1
500.36624	1.0
502.32477	3.0
503.33893	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	501.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95953	0.4
59.01380	5.1
60.99308	1.7
69.20102	0.9
69.20507	2.9
71.01396	0.6
72.36130	0.4
73.02944	0.6
83.05013	0.8
98.20615	0.8
101.02473	0.5
101.12582	0.4
102.93214	0.4
109.06641	0.4
135.04553	0.6
191.05559	0.6
241.52567	0.4
247.13197	0.6
295.03564	0.4
297.22186	0.8
327.23145	0.7
335.23972	0.5
353.24789	0.5
363.26984	1.8
377.28552	1.2
379.30063	1.9
391.30133	1.1
407.29907	0.5
409.31223	4.7
410.31958	0.6
425.30463	0.6
435.29413	0.5
453.29996	2.2
463.67780	0.4
471.31134	55.0
472.31406	8.3
501.32205	100.0
502.32584	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	501.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.3
60.99305	1.4
61.98831	0.3
69.17053	1.1
69.17476	1.0
71.01346	0.6
73.02914	0.4
78.95879	0.3
81.03418	0.3
83.05024	0.4
89.02415	0.5
93.03464	0.2
101.02433	0.5
106.46363	0.2
109.06573	0.2
135.04486	0.4
140.35411	0.3
161.02505	0.3
189.12654	0.3
191.05617	0.6
195.13837	0.3
245.00977	0.3
247.13223	0.2
252.67401	0.2
277.03381	0.3
279.12775	0.2
295.20547	0.4
297.22122	0.4
327.22852	0.3
335.23630	0.4
353.24899	0.5
361.25003	0.3
363.27081	1.4
369.24255	0.5
375.27197	0.3
377.24606	0.3
377.28516	1.6
379.30090	2.2
385.23724	0.2
391.30188	1.1
393.28064	0.3
402.37732	0.3
407.29874	0.5
409.26425	0.4
409.31192	4.3
410.31427	0.4
423.29199	0.7
425.30389	0.6
439.32129	0.3
453.30060	2.4
455.31653	0.3
471.31113	54.7
472.31454	6.6
501.32199	100.0
502.32529	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	501.3222
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
57.03424	0.4
58.79275	0.3
59.01353	0.3
61.16117	0.4
61.98830	0.4
62.38604	0.3
69.65036	0.9
69.65450	1.9
73.02929	2.0
83.05031	0.9
85.41763	0.3
89.55754	0.3
98.19931	0.8
100.34245	0.3
169.42159	0.4
191.10919	0.4
242.06190	0.4
321.20828	0.4
349.05908	0.4
357.25922	0.6
373.25256	0.6
375.27002	0.6
389.28586	2.1
391.30316	0.8
393.28052	1.0
395.29654	0.5
405.28152	0.4
407.29807	1.8
409.31454	0.6
417.41476	0.4
423.29776	0.5
437.30515	3.6
438.30746	0.6
439.32779	2.1
453.30084	0.9
455.31635	41.2
456.31955	5.4
457.33328	1.4
471.31058	1.6
501.32227	100.0
502.32584	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	501.3222
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
61.98816	0.3
69.80997	1.5
95.94939	0.2
98.19969	0.4
99.59787	0.3
100.30762	0.3
104.57597	0.3
146.22523	0.3
175.11281	1.1
189.12848	1.0
377.28506	0.9
379.30197	0.7
413.34265	2.2
423.29004	21.5
424.29373	2.3
439.32159	21.0
439.38400	0.7
440.32458	2.8
452.87949	0.3
455.31836	1.0
457.33218	9.3
458.33438	0.8
469.33319	4.3
470.33511	0.6
483.31201	2.3
484.31583	0.5
489.67865	0.3
501.32230	100.0
502.32584	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01340	1.4
61.98800	0.6
69.04726	0.4
71.01334	1.3
73.02947	5.1
83.58707	0.4
85.02935	0.5
85.11955	0.3
98.20748	0.8
110.75114	0.3
113.02425	0.4
191.05519	1.6
229.84558	0.5
349.25427	0.9
358.23120	0.4
377.25217	0.5
389.28693	0.6
391.26413	0.7
405.27979	0.9
407.25458	0.5
407.29681	4.7
408.29794	0.6
409.31409	0.8
423.29120	2.3
425.26782	1.2
425.31503	0.7
437.30673	1.4
439.28381	1.1
441.29910	0.5
455.31641	59.1
456.32034	6.9
457.33109	2.8
471.31189	1.3
501.32217	100.0
502.32620	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74882	0.3
52.23888	0.3
57.11285	0.2
59.28227	0.2
62.09748	0.3
63.73698	0.2
71.01155	0.4
98.96515	0.3
142.54170	0.2
204.23943	0.3
213.65546	0.2
253.66658	0.3
256.90533	0.3
279.00482	0.3
309.16513	0.3
323.93716	0.3
366.92715	0.3
377.28412	0.7
378.14572	0.3
379.30258	0.5
389.28271	0.3
407.29605	0.9
423.04483	0.3
453.30072	33.5
454.30444	4.1
458.76440	0.3
461.91193	0.3
471.31128	18.4
472.31339	2.3
483.31113	5.4
484.31659	0.6
501.32208	100.0
502.32550	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28764	0.3
56.58477	0.4
61.98833	0.5
69.51460	0.4
71.15076	0.3
71.53546	0.3
73.41811	0.4
75.68229	0.3
99.96799	0.3
110.77476	0.4
113.54632	0.3
122.67416	0.3
141.08168	0.3
200.75745	0.4
409.30948	0.4
427.32181	0.6
439.28329	0.6
453.30096	26.1
454.30396	2.9
471.31128	3.6
472.31750	0.6
483.26456	0.5
483.31577	0.7
501.32208	100.0
502.32584	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61087	0.4
59.01365	0.5
82.90433	0.4
87.41477	0.4
106.25205	0.4
106.43291	0.4
107.45138	0.4
181.01547	0.4
200.41696	0.4
377.28442	0.7
407.29761	0.7
426.02460	0.5
439.32297	0.8
448.71835	0.5
453.30063	56.8
454.30432	6.7
457.33163	2.0
471.31027	3.1
501.32199	100.0
502.32571	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	501.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80278	0.4
57.03556	0.4
69.27631	3.5
98.20671	0.7
122.89673	0.4
190.16371	0.4
218.19603	0.4
377.28406	0.6
381.07593	0.5
407.29526	1.2
453.30066	73.8
454.30362	10.5
471.31122	21.9
472.31418	2.0
501.32300	100.0
502.32578	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	501.026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	73.7
61.98811	1.9
69.57233	3.8
81.18724	0.6
90.97135	1.0
109.79723	0.6
117.67741	0.7
126.93363	0.7
132.98203	1.5
133.68631	0.7
157.03624	3.3
157.04654	0.7
159.01390	0.8
164.49905	0.6
164.51404	0.6
174.99237	19.4
201.02539	30.8
202.02704	2.1
217.00279	100.0
218.00603	1.7
248.25574	0.7
250.95308	0.7
292.96143	1.6
343.03641	2.6
359.01459	59.2
360.01611	5.8
425.96353	0.7
507.41006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72873	0.8
59.01374	15.9
61.98832	1.4
69.03456	1.0
69.62249	5.8
71.01376	10.8
71.12608	1.0
73.02929	2.1
85.02975	2.5
87.00853	1.4
89.02438	19.1
93.03456	3.0
101.02435	4.9
103.05556	2.4
113.02444	2.5
119.04998	1.8
125.02445	4.1
131.03529	5.8
139.04036	2.2
147.04523	100.0
148.04861	4.1
148.27048	0.8
149.04568	8.7
169.01414	1.1
173.04478	1.7
174.63002	0.9
175.62358	0.9
191.05606	13.9
192.05949	3.4
193.06111	3.1
293.08762	10.1
441.13950	2.1
446.26917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.4
57.43553	1.2
59.01377	38.8
61.98822	2.6
63.73265	1.2
69.03471	1.8
71.01011	2.5
71.01384	42.0
71.05038	2.4
71.53641	1.4
72.99308	2.9
73.02942	10.1
73.89223	1.4
75.80931	1.2
78.95898	2.6
79.05514	1.2
81.07086	1.5
83.01379	3.9
83.05022	2.8
85.02950	12.6
87.00871	3.9
87.04513	4.4
89.02444	19.2
93.03444	4.6
95.01439	1.4
97.02945	3.8
97.06598	1.9
97.77728	1.5
99.00877	2.6
99.04507	2.7
101.02447	20.8
106.06626	2.6
107.05070	1.6
107.08662	2.3
109.06602	3.5
111.04504	1.8
113.02444	15.5
115.04036	1.5
119.03503	8.0
119.05001	6.6
121.06609	1.9
125.02442	2.9
125.06077	4.2
131.03526	2.4
133.05051	3.6
133.06612	1.7
133.10277	1.7
135.04475	1.5
135.08145	4.3
135.11780	8.0
137.02467	9.1
143.03571	1.9
147.08266	1.4
147.11766	1.5
149.04562	2.0
150.05582	2.5
159.08139	5.5
159.11794	11.4
161.02382	1.9
161.04529	8.3
161.09720	21.9
163.04008	3.7
163.11255	2.6
173.04555	3.0
175.11276	5.0
177.12825	16.9
179.05688	1.5
179.10768	45.7
180.11082	2.3
190.27321	1.3
191.05617	11.5
193.12335	7.5
203.10863	7.7
205.08669	5.0
213.54019	1.3
221.11833	29.6
223.09708	10.4
251.13048	1.7
265.10767	15.8
281.13904	2.0
295.10129	7.7
325.12961	7.5
457.20764	59.9
458.20715	6.5
483.18460	1.8
501.19766	100.0
501.30972	9.8
502.20215	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	500.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
61.98829	100.0
62.87580	0.4
71.01369	1.1
71.53156	0.4
71.53640	0.8
72.15508	0.4
73.79063	0.4
85.02968	0.6
93.03470	0.4
98.42675	0.4
101.02457	0.6
108.57245	0.4
125.52994	0.4
132.27258	0.4
191.05637	1.5
223.25517	0.4
471.31244	1.0
500.31192	3.6
501.32294	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1454
Annotation	kn-93
Peak:m/z	Relative Intensity
56.32066	0.7
57.03457	1.0
59.01373	1.7
60.99303	4.0
62.06672	0.7
67.01882	10.5
69.03451	2.1
71.01390	4.7
72.99293	1.1
81.03458	2.2
85.02950	4.2
87.00873	15.7
93.03454	73.2
94.03783	1.7
96.58519	0.8
99.00867	1.4
111.04536	9.0
111.41082	0.9
113.02461	1.0
118.38985	0.7
119.05024	29.0
126.74074	0.9
127.04032	1.4
129.01950	2.3
145.02968	2.0
155.03464	2.9
163.03989	18.6
164.04375	1.1
173.04529	19.9
191.05595	88.2
192.05954	2.8
196.04303	0.7
221.01913	0.9
229.41479	1.1
252.58136	0.9
337.09265	14.8
338.09534	1.3
379.09988	1.0
499.14545	100.0
500.14816	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	499.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82512	0.2
59.01373	1.4
67.01879	0.4
69.99525	0.5
69.99931	0.6
71.01375	0.8
73.02935	0.5
81.03452	0.3
83.05051	0.4
85.02946	8.8
87.00870	1.8
93.03459	3.3
96.32043	0.2
99.04531	0.3
108.02171	0.6
109.02954	1.9
111.04516	1.3
125.02454	0.3
127.03995	2.2
134.03746	0.6
134.14149	0.2
152.01120	0.3
153.01921	0.6
155.03374	0.3
161.02383	0.4
166.28749	0.3
171.02971	0.5
173.04550	2.0
176.04695	0.2
187.04034	1.8
187.07654	1.3
191.05602	100.0
192.05930	3.1
202.06335	3.2
203.06905	0.3
205.08669	0.3
213.09280	0.3
215.07170	0.4
231.10161	0.7
245.11859	0.3
247.09799	0.3
263.12772	0.4
275.09384	0.4
289.10867	1.4
300.02783	0.4
307.06290	0.3
307.11829	2.4
325.12704	0.4
448.10440	0.3
463.08478	0.4
481.17072	1.7
499.18735	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88101	0.5
59.01363	1.1
61.98824	0.7
67.01878	1.2
69.49722	3.3
71.01369	1.4
73.02943	0.7
81.03445	1.3
85.02941	5.7
87.00879	2.3
93.03453	10.8
98.19852	0.4
99.04576	0.5
107.05003	1.1
111.04507	3.5
112.52749	0.5
113.02460	0.6
117.03452	0.9
119.05025	21.9
120.05325	0.8
125.02455	1.1
127.03991	1.8
133.02948	2.0
134.03709	2.0
135.04520	28.8
136.04819	0.6
137.02505	0.5
145.02895	1.7
155.03546	2.5
161.02432	6.1
163.04001	49.8
164.04314	1.6
169.01395	0.7
171.03055	0.5
173.04526	10.1
179.03485	25.7
180.03909	0.8
191.05597	100.0
192.05952	3.4
202.06352	0.8
206.06400	0.5
335.07645	1.3
337.09235	24.9
338.09662	1.5
353.08728	24.6
353.13129	1.0
354.09113	1.3
481.17569	0.7
499.19070	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	499.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01371	2.5
60.57211	0.7
61.98829	66.3
66.14390	0.8
67.01886	2.0
69.03442	1.0
69.42774	1.6
69.43166	5.3
71.01386	2.2
81.03478	0.9
82.47534	0.9
85.02940	6.2
87.00877	2.9
93.03458	17.2
97.58770	0.7
107.05046	0.9
107.34497	0.8
109.02952	2.1
111.04510	4.9
119.05029	29.3
120.05358	1.3
123.04530	1.2
125.02428	2.1
127.04005	1.3
133.02950	2.8
134.03688	2.0
135.04521	33.6
137.02417	3.1
145.02953	1.4
155.03487	3.5
161.02449	8.9
163.04004	51.5
164.04401	2.2
167.03471	2.9
168.03702	0.7
169.01448	0.9
173.04543	52.7
174.04887	2.0
179.01891	1.8
179.03487	33.4
180.03767	1.4
191.05602	100.0
192.05936	3.2
214.05377	0.8
237.59398	0.8
245.00887	1.0
273.07767	2.2
274.07977	4.3
275.08212	0.7
319.08170	1.4
335.07834	1.7
337.09250	47.3
338.09592	3.0
353.08768	26.7
354.08954	2.2
362.18411	0.8
499.18372	3.2
522.01605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.4
59.01377	100.0
59.75167	0.4
60.01722	0.6
60.16792	0.4
61.98827	5.1
69.34336	3.2
71.01379	8.2
73.02957	0.9
78.95907	0.9
83.01410	1.0
83.43733	0.4
85.02964	1.6
87.00876	0.9
89.02442	13.0
91.45522	0.4
98.19976	0.9
101.02435	6.3
113.02448	3.9
119.03507	6.9
131.03531	0.4
143.03474	1.9
149.04578	0.5
152.99600	1.3
161.04570	1.6
170.50381	0.4
179.04015	0.4
179.05594	3.7
191.05630	2.0
211.13470	0.5
273.64996	0.4
305.19962	0.4
331.30566	0.4
437.25113	3.3
453.85880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72778	1.9
55.01882	3.0
57.03437	3.3
59.01379	67.6
61.98830	22.8
71.01382	35.3
71.53571	2.4
73.02944	11.6
77.33672	1.9
78.39780	2.5
78.95895	10.7
83.01385	10.0
84.64293	2.2
85.02939	17.1
87.00861	2.9
89.02440	7.4
93.03452	5.0
95.01370	5.6
96.96000	2.8
99.00859	7.0
99.48885	2.3
101.01802	2.8
101.02441	41.8
111.00800	2.3
113.02474	15.8
123.00878	14.7
124.01654	5.7
125.02436	2.4
131.03500	36.0
139.03952	5.2
140.63214	2.3
143.03438	2.5
152.99597	9.7
161.02425	3.8
161.04523	12.4
172.20508	2.1
173.04482	3.6
191.05597	48.0
195.13766	2.6
213.14925	18.4
272.12289	4.0
305.19684	100.0
306.19888	7.0
335.01889	2.2
437.23956	39.6
438.24191	5.0
438.71243	2.1
497.25125	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	497.1924
Annotation	Vincosamide
Peak:m/z	Relative Intensity
57.03453	0.3
58.00589	0.8
59.01376	15.2
61.98813	1.4
68.99813	0.2
69.03450	0.6
71.01377	10.8
72.99300	0.7
73.02929	0.3
74.05289	0.2
77.03973	0.1
78.95876	0.2
83.01386	0.3
85.01178	0.1
85.02941	1.8
87.00884	0.5
89.02438	12.6
93.03468	0.2
94.02974	9.5
95.01381	0.9
97.31060	0.1
101.02440	6.1
105.03535	0.1
107.05013	0.2
113.02441	4.5
116.05065	0.6
119.03494	4.6
122.02475	17.1
123.00891	1.4
123.02785	0.4
123.04536	0.3
124.01663	0.7
125.02390	0.2
130.06570	0.2
131.03516	0.5
133.02939	0.5
136.07687	0.3
136.38206	0.2
138.03207	0.4
139.04044	1.0
142.06586	1.8
143.03479	0.4
146.06055	0.3
148.04031	0.4
149.04529	0.3
152.99559	0.4
154.05389	0.2
154.06621	0.2
156.08176	1.0
161.04547	0.5
164.07124	0.3
164.32651	0.2
167.06131	1.0
168.06924	2.4
168.08226	0.3
169.07698	54.2
170.08051	2.2
171.69984	0.1
174.05557	0.8
179.05606	0.5
181.07722	0.6
183.09256	8.1
184.09506	0.4
191.05583	0.5
193.07816	0.2
195.09221	0.5
207.09235	0.7
209.07228	0.2
213.14915	1.3
217.46486	0.1
219.09250	0.4
220.06552	0.3
221.07338	0.3
221.10823	2.6
222.07918	1.4
222.11107	0.3
233.07133	0.4
235.08733	9.1
236.09174	0.6
237.10287	1.9
263.08228	2.4
264.08862	0.3
265.09784	100.0
266.10117	6.4
275.12000	0.3
277.13452	0.3
279.14935	0.4
287.11945	0.2
289.13449	0.6
299.12064	0.2
305.12811	0.3
307.14548	1.4
317.12909	30.7
318.13309	2.5
318.97763	0.2
331.14441	0.3
335.13965	4.5
336.14337	0.5
349.15918	0.2
359.13809	0.3
377.15057	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	497.1666
Annotation	Globulusin B
Peak:m/z	Relative Intensity
59.01367	0.8
61.98816	1.8
69.03443	2.3
69.36414	1.1
69.36823	4.0
71.01366	1.0
79.01895	0.9
81.03429	0.7
83.01373	1.5
88.98793	0.7
89.02451	0.8
93.03446	2.2
95.01387	1.5
97.02936	2.6
107.01382	2.1
109.02948	1.0
115.65340	0.7
115.78092	0.6
123.00880	8.2
124.01664	25.1
125.02451	55.5
126.02775	1.6
128.79041	0.5
135.04518	5.2
136.01683	0.6
137.02458	3.6
138.70769	0.6
143.10791	1.0
149.99590	32.2
151.00374	3.7
161.02440	2.5
167.03484	0.8
168.00639	56.6
169.01392	7.6
179.03503	3.9
191.03406	0.6
191.05614	1.6
193.01431	0.6
237.56487	0.5
261.07712	1.9
281.56372	0.5
313.05530	1.2
335.07782	0.8
416.96341	0.6
479.15945	0.7
497.16653	100.0
498.10315	0.9
498.16989	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	497.1661
Annotation	Globulusin B
Peak:m/z	Relative Intensity
59.62009	0.4
61.98829	3.7
67.01895	0.7
69.03447	2.0
69.42682	0.9
69.43105	1.5
71.01374	0.4
72.32222	0.3
78.78735	0.3
79.01871	0.5
81.03454	1.0
87.00924	0.4
93.03437	0.6
95.01397	1.0
97.02947	1.5
107.01414	0.5
111.00897	0.4
114.60959	0.3
115.94691	0.3
121.02950	0.4
123.00871	2.4
123.04475	0.5
124.01668	5.4
125.02444	80.7
126.02775	2.4
133.02948	0.4
134.03677	0.6
135.04514	0.7
137.02466	1.0
139.00342	1.0
139.04152	0.3
140.01216	0.3
142.73444	0.3
161.02434	1.2
166.99818	1.0
167.03470	0.5
168.00636	8.8
169.01418	100.0
170.01791	3.1
179.03491	0.4
191.03766	0.5
191.05612	2.2
209.76196	0.3
211.02443	1.1
265.09796	0.8
313.05704	2.3
331.06671	3.7
340.79086	0.4
352.69247	0.4
389.10324	0.5
404.12283	0.4
461.14413	0.4
497.16605	62.8
498.16916	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	497.1302
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
54.63206	1.1
56.75592	1.1
59.01366	6.4
61.98824	3.1
69.03457	1.5
71.01377	6.5
71.52966	2.1
73.02954	1.4
81.03446	2.8
81.07087	3.3
83.01388	1.5
85.02934	7.2
87.00853	3.0
89.02443	2.4
93.03429	3.0
95.01379	2.8
96.95987	5.1
101.02420	4.0
107.04999	4.9
108.02169	54.6
108.02915	2.8
109.02255	1.7
109.02966	33.7
119.03514	1.3
121.02919	1.9
123.00932	2.1
124.93448	1.3
125.02409	4.6
133.02928	2.6
135.04501	3.1
136.01663	1.5
148.03970	2.9
150.03123	1.4
151.03954	3.2
152.01147	56.5
153.01945	23.8
155.07124	4.7
161.02402	9.6
163.03973	2.1
165.01941	2.1
168.00565	2.6
169.01407	4.3
173.04491	2.0
174.03174	1.8
177.02040	1.2
177.05553	1.3
179.03470	2.6
181.05051	2.6
191.05606	29.7
191.07355	1.6
192.06036	1.5
199.06108	1.5
203.12767	1.2
249.07750	1.3
255.11423	1.6
273.12433	1.4
281.51755	1.4
315.07187	14.2
346.52533	1.2
365.18079	7.9
497.12866	100.0
497.22183	12.7
498.13312	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1663
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
57.03441	1.2
58.00581	2.0
59.01380	9.7
61.98822	2.9
67.01877	1.9
69.03452	2.6
69.18641	7.9
71.01385	7.8
71.05029	1.0
71.12472	0.6
72.99308	1.0
73.02908	1.2
78.60352	0.7
79.01888	3.8
80.38615	0.7
83.01382	1.2
85.02935	2.1
86.03798	0.7
89.02428	2.2
93.03460	2.0
93.07104	1.0
95.01402	3.6
97.02945	2.1
99.00863	1.2
101.02432	2.6
107.01392	9.0
109.02962	1.7
109.06561	1.0
111.00895	1.3
111.08134	1.1
113.02443	2.1
119.05035	1.0
120.99609	1.3
123.00884	32.6
123.04493	0.8
123.08147	1.2
124.01684	1.1
125.02446	35.1
125.06015	0.8
126.02769	1.2
127.07636	4.4
133.02945	8.7
134.03780	1.1
135.04497	6.3
137.02437	2.7
137.06071	2.6
139.00359	6.7
139.03949	1.4
139.11276	2.9
140.01129	1.5
141.01900	2.8
150.99205	1.5
151.00365	19.3
152.00771	1.0
153.01886	1.9
155.07091	2.6
161.02441	22.2
163.03935	1.7
165.01935	0.8
167.03484	1.7
168.00693	5.5
169.01421	60.9
169.69379	0.7
170.01735	1.9
173.04578	1.0
177.01880	0.8
178.02818	0.8
179.03452	4.2
183.02911	0.8
183.10223	3.9
191.05620	4.5
193.01360	1.2
197.11765	1.8
211.02466	9.6
225.11282	3.4
232.19261	0.7
253.03485	1.6
291.08862	0.9
313.05649	4.7
317.13870	2.5
335.15073	1.2
437.14331	1.9
497.16046	100.0
498.16452	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	497.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50745	1.1
59.01371	2.8
67.01871	1.1
69.03464	1.3
69.11671	1.1
69.45384	7.4
71.01377	5.7
71.05016	25.0
78.93003	1.0
79.01906	1.3
83.01376	1.4
85.02967	1.3
92.02891	1.1
93.03459	1.4
93.32154	1.2
95.01369	2.2
95.05033	2.2
97.02931	7.0
100.26258	1.1
101.02431	2.2
107.01379	11.1
108.02190	1.9
109.02922	1.6
111.00857	1.2
113.02454	2.1
119.06923	1.2
121.02942	1.6
123.00885	11.0
124.01674	1.5
125.02446	65.7
126.02808	2.2
127.18505	1.0
135.04521	2.1
136.98691	0.9
137.02428	4.3
139.00371	5.0
139.04012	100.0
140.01135	2.6
140.04362	3.0
141.01891	1.4
151.00395	10.0
152.01131	1.8
153.01944	2.5
163.04021	3.6
164.01103	1.3
165.01936	15.4
167.03537	1.2
168.00604	5.0
169.01422	95.8
170.01741	3.8
179.03455	1.9
181.05098	2.3
182.29218	1.0
183.02962	3.7
191.05582	4.6
193.01343	1.5
196.10292	1.0
211.02472	9.5
223.02405	1.3
241.03403	1.9
249.07655	1.6
271.04538	4.5
313.05655	35.7
314.05930	1.3
453.10336	36.3
454.10690	4.0
479.08276	75.8
480.08551	7.9
497.09296	85.1
498.09509	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	497.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.23424	0.5
61.98825	4.0
69.03442	0.6
71.01371	1.3
71.52806	0.9
83.01398	0.5
85.02961	1.0
87.00903	0.7
93.03445	2.1
103.05535	2.6
108.02140	0.9
109.02949	16.8
110.03295	0.4
113.02522	0.5
115.93648	0.5
117.61448	0.4
119.05022	2.8
121.02953	0.5
123.00841	0.8
123.04520	1.6
125.02448	11.8
126.02763	0.6
133.02940	1.4
135.04510	2.3
137.02420	1.0
139.04021	0.6
147.04504	14.7
149.02441	8.4
153.01941	0.7
161.02415	3.3
162.02766	0.9
163.04024	1.0
165.01920	1.2
168.00555	0.6
169.01413	25.2
170.01761	1.0
173.04480	0.7
176.01196	0.6
179.03476	1.3
189.01932	1.5
191.03497	100.0
191.05504	7.8
192.03813	4.3
192.05615	0.6
217.01338	2.3
235.02463	14.7
236.02693	0.5
301.07227	1.3
327.05008	1.5
345.06128	39.1
346.06378	2.3
413.45483	0.5
434.11789	3.5
497.12830	1.4
497.16992	2.2
497.25366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03378	1.2
59.01367	4.2
61.98829	75.7
71.01376	5.0
71.53285	1.9
85.02937	3.5
89.02423	2.0
93.03447	1.5
96.93364	1.2
101.02432	4.6
108.02187	4.2
108.68227	1.1
109.02944	11.9
112.66133	1.2
113.02443	1.8
119.04998	1.4
125.02468	7.0
133.02943	24.0
134.03346	2.1
135.04543	14.2
137.02478	1.1
147.04495	3.3
149.02382	2.0
161.02435	97.2
161.91946	1.1
162.02713	6.2
169.01384	11.0
177.05643	1.5
179.03474	6.8
191.03462	21.6
191.05562	14.3
201.14697	1.1
217.01466	1.6
221.04463	1.2
225.80168	1.3
235.02426	1.5
271.05859	1.5
323.07816	3.6
331.07001	1.5
345.06134	8.1
433.11353	100.0
434.11694	9.2
496.14029	7.4
497.12506	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	496.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75113	0.4
59.01386	0.9
60.66034	0.4
61.98827	100.0
63.02362	0.3
65.00323	1.3
66.68133	0.3
69.03443	1.1
71.01379	0.5
71.53627	0.4
81.03478	0.4
83.01386	1.3
85.02953	0.5
88.10086	0.3
88.98810	1.1
89.02473	0.4
93.03470	2.0
97.02962	0.6
107.01398	3.1
108.02175	0.7
109.02960	1.0
119.05011	4.6
123.00843	1.1
124.01674	3.1
125.02444	22.9
131.80238	0.3
133.02979	0.6
135.04549	1.5
137.02438	1.0
141.06728	0.4
145.02922	1.0
149.99577	4.5
151.00356	10.9
152.01122	1.2
152.07175	0.6
153.01857	0.6
153.70004	0.3
161.02446	1.5
162.02885	0.4
165.01973	1.3
167.03543	0.9
168.00636	7.3
169.01414	31.0
173.04568	0.6
177.01982	1.4
178.66650	0.3
179.03537	1.2
183.10239	0.3
185.05818	0.4
187.03947	0.4
191.05602	5.1
192.05974	1.2
193.01476	0.4
205.32060	0.4
220.39333	0.4
227.07178	0.6
255.11562	0.4
256.88016	0.4
271.06104	17.5
272.06497	1.3
313.05908	1.2
344.23080	0.5
360.01346	0.4
433.11401	8.2
434.11801	1.2
449.45056	0.4
452.16702	0.4
464.18542	0.8
496.19485	0.6
497.16437	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	495.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.1
59.01382	1.5
59.11116	0.5
61.98825	1.2
69.03423	1.1
71.51428	0.8
76.96877	0.5
78.95899	3.8
81.03453	0.9
83.05048	0.8
93.03450	1.3
95.05022	1.3
97.02963	1.1
97.06586	10.6
112.67267	0.4
112.93176	0.4
113.06123	0.8
116.73649	0.5
121.02899	0.4
121.84618	0.4
123.04527	1.4
123.08139	5.5
125.09722	76.9
126.10073	3.6
137.09723	1.4
143.10780	1.3
153.09151	1.2
159.08099	0.7
163.11293	2.6
165.12843	1.0
169.08714	2.1
171.10226	2.0
175.11293	0.5
181.12337	0.9
183.13818	0.8
185.11833	3.4
187.09749	100.0
188.10103	3.0
189.12845	0.5
191.05565	3.4
191.14366	3.8
197.11806	0.7
207.10233	1.9
209.11858	5.9
211.13379	6.5
217.15961	0.8
225.11237	1.8
242.84225	0.5
245.19119	9.6
271.16940	1.3
289.18082	38.0
290.18445	2.6
307.19144	37.3
308.19461	3.2
325.20206	3.3
343.26840	0.6
437.33917	0.6
477.28726	1.2
495.29657	2.5
509.57428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58238	1.8
59.01382	6.4
60.25451	1.8
61.98827	29.7
62.38190	2.1
69.28896	16.1
93.03452	2.5
107.01404	3.0
109.02961	3.3
112.04040	2.3
125.02457	12.6
151.00359	10.7
151.04002	2.7
161.02492	3.4
169.01413	12.9
172.92047	1.8
178.99840	5.2
191.05612	7.8
239.92557	1.8
243.02928	8.2
255.02982	21.0
271.02463	46.2
272.02863	5.0
283.02655	2.5
300.02737	88.1
301.03445	47.6
303.66913	2.1
384.63431	1.8
433.07709	100.0
434.07956	10.5
458.11142	7.3
497.12567	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.8
58.00597	1.0
59.01378	35.5
60.01680	0.9
61.98829	38.6
69.03444	3.7
69.37929	6.9
71.01378	67.3
72.01727	1.2
72.99303	3.4
73.02945	27.7
75.00866	2.0
78.95909	1.9
81.03464	0.8
83.01382	11.7
85.02457	1.7
85.02950	32.4
86.00091	1.3
87.00874	4.7
89.02446	15.1
93.03417	2.5
95.01370	6.0
96.96960	1.1
97.02934	4.2
99.00876	13.3
101.02440	54.3
102.02822	0.8
108.02184	1.6
109.02946	2.4
111.00864	4.4
113.02442	23.9
115.03983	1.9
119.03492	1.3
119.04987	1.1
120.99644	4.0
125.02452	6.5
128.96033	1.0
129.01941	1.8
131.03497	4.6
133.02950	8.6
135.04523	4.3
137.02420	2.5
143.03473	3.1
148.89516	1.0
149.02490	0.9
149.04512	3.4
152.01128	1.5
152.99583	0.8
153.01962	0.9
159.02954	3.9
161.02457	23.1
161.04527	24.4
162.02763	3.8
163.02861	2.0
170.97530	0.8
173.04485	1.3
177.01930	2.8
179.03459	2.4
185.13603	1.1
191.05573	12.0
199.16859	1.0
201.18576	1.1
233.06610	3.3
293.08762	1.2
363.23859	91.7
364.24081	7.9
495.21588	13.6
495.28116	100.0
496.22375	1.4
496.28525	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	495.1515
Annotation	Oxypaeoniflorin
Peak:m/z	Relative Intensity
59.01377	2.5
69.03475	0.4
69.23780	3.9
71.01371	1.5
73.02959	0.9
78.60075	0.4
81.76048	0.4
83.04993	0.7
85.01019	2.0
85.02946	4.3
87.00869	1.5
93.03452	4.1
98.19907	0.6
99.04504	1.1
103.77759	0.4
109.02982	0.6
111.04509	1.5
113.02426	1.4
115.02052	0.5
115.29069	0.4
127.03997	1.2
135.04494	0.4
137.02391	0.5
141.03571	0.4
143.03453	0.8
145.03101	0.6
155.03503	0.6
157.03159	0.5
159.04622	0.7
169.01430	0.6
173.04475	2.0
179.03476	0.4
191.05603	38.4
192.05994	2.1
199.04187	1.5
205.03094	0.6
205.05211	0.5
217.05225	8.3
218.17459	0.4
259.06320	0.9
275.97366	0.6
277.89133	0.5
287.05640	2.1
289.07440	1.1
290.79132	0.5
301.07446	1.5
315.08929	1.6
319.08527	0.7
320.05508	1.4
321.09891	2.9
333.10071	0.6
361.09375	1.1
375.10934	0.5
379.10599	2.0
477.14264	0.5
495.15320	100.0
495.99466	0.6
496.15640	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	495.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.8
58.00597	1.0
59.01378	35.5
60.01680	0.9
61.98829	38.6
69.03444	3.7
69.37929	6.9
71.01378	67.3
72.01727	1.2
72.99303	3.4
73.02945	27.7
75.00866	2.0
78.95909	1.9
81.03464	0.8
83.01382	11.7
85.02457	1.7
85.02950	32.4
86.00091	1.3
87.00874	4.7
89.02446	15.1
93.03417	2.5
95.01370	6.0
96.96960	1.1
97.02934	4.2
99.00876	13.3
101.02440	54.3
102.02822	0.8
108.02184	1.6
109.02946	2.4
111.00864	4.4
113.02442	23.9
115.03983	1.9
119.03492	1.3
119.04987	1.1
120.99644	4.0
125.02452	6.5
128.96033	1.0
129.01941	1.8
131.03497	4.6
133.02950	8.6
135.04523	4.3
137.02420	2.5
143.03473	3.1
148.89516	1.0
149.02490	0.9
149.04512	3.4
152.01128	1.5
152.99583	0.8
153.01962	0.9
159.02954	3.9
161.02457	23.1
161.04527	24.4
162.02763	3.8
163.02861	2.0
170.97530	0.8
173.04485	1.3
177.01930	2.8
179.03459	2.4
185.13603	1.1
191.05573	12.0
199.16859	1.0
201.18576	1.1
233.06610	3.3
293.08762	1.2
363.23859	91.7
364.24081	7.9
495.21588	13.6
495.28116	100.0
496.22375	1.4
496.28525	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	494.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	7.6
63.08591	1.7
69.60637	2.0
73.55722	1.9
78.95901	45.1
78.96330	3.8
92.15151	1.9
96.96950	9.1
125.06145	1.9
136.81592	2.3
152.99586	100.0
167.40080	2.1
171.00626	5.9
175.91777	2.1
219.85666	1.9
228.34164	2.0
244.13904	2.0
431.22125	22.3
432.22562	1.9
463.72430	2.0
502.15848	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	495.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70514	0.5
59.01379	4.9
61.85242	0.6
61.98831	3.7
69.03456	0.7
71.01389	4.5
71.54176	0.6
73.02940	1.3
75.00836	1.0
78.95886	0.6
83.04984	0.6
85.02950	2.6
87.00860	1.0
89.02444	1.6
93.03461	3.0
95.01403	0.8
97.02991	0.7
101.02453	2.1
108.02168	2.6
109.02950	16.8
111.04510	0.9
113.02448	1.9
117.03471	2.6
119.03477	0.7
119.05086	1.4
123.00921	0.8
123.04543	1.5
124.01642	2.5
125.02454	6.9
131.03505	0.6
132.02129	0.7
133.02957	13.4
134.03271	0.7
135.04527	5.9
137.02449	1.2
145.02965	4.0
147.04514	0.7
149.99586	3.6
161.02441	42.7
162.02805	4.3
163.02846	0.8
163.04095	1.0
165.01926	1.0
166.05087	1.1
168.00647	7.3
169.01390	0.7
173.02419	1.7
173.04543	0.7
179.03514	3.0
189.01921	66.2
190.02266	2.4
191.03574	3.0
191.05598	23.7
202.02737	1.6
203.07127	0.7
216.00671	1.9
217.01399	100.0
218.01721	3.7
221.04604	0.7
240.46333	0.6
246.47687	0.6
249.04021	25.0
250.04608	1.4
257.04608	1.0
257.47369	0.6
285.04053	3.1
327.05063	50.9
328.05417	3.9
331.06662	2.1
333.15408	3.4
334.15649	0.6
336.89972	0.6
341.85535	0.6
353.08612	1.1
359.07669	18.7
359.12112	1.0
360.07956	2.3
451.19522	0.8
463.06586	3.0
464.07477	0.6
477.17621	1.7
494.21194	1.2
495.08813	2.5
495.19690	14.9
496.19742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	100.0
123.94172	32.1
152.99545	67.7
201.11298	49.3
236.32222	35.1
451.27097	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78308	0.2
61.98829	100.0
64.27709	0.2
69.30836	2.4
91.04420	0.3
102.01797	0.2
108.02195	0.3
122.03770	0.5
123.04549	0.8
125.02431	0.4
129.53519	0.2
129.83751	0.3
139.11295	0.3
151.00473	0.3
161.04640	0.3
163.00371	0.4
183.10362	0.6
227.03493	6.3
228.03813	0.4
229.05115	0.8
255.02972	9.6
256.03445	1.2
257.04672	0.4
284.03262	11.2
285.03998	9.6
286.04391	0.6
431.09827	18.1
432.10126	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	494.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64062	0.5
57.86672	0.5
59.01383	6.8
61.98829	53.3
63.93889	0.5
69.45103	1.8
69.45506	1.7
71.01375	5.0
72.01702	0.5
73.02936	1.4
75.00850	1.3
78.95896	0.5
83.01402	0.6
85.02932	3.0
89.02440	3.1
93.03448	1.0
93.15561	0.5
95.01406	0.6
99.00882	0.6
101.02421	3.5
101.13806	0.5
108.02175	0.6
110.46689	0.5
113.02435	1.2
117.03485	1.0
119.03442	0.6
125.02437	0.6
131.03517	1.1
132.02202	1.5
133.02957	33.7
134.03268	9.5
135.04535	7.9
136.04823	2.2
137.02466	0.8
149.04472	0.6
161.02435	100.0
162.02777	27.6
163.02959	1.0
173.04414	0.6
178.02719	0.5
179.03490	3.9
179.04886	0.6
180.03851	1.0
191.05605	12.0
192.05948	0.5
281.06854	0.6
302.16763	0.8
431.13443	36.2
432.13641	3.8
446.97305	0.6
447.14328	1.0
493.20712	5.0
494.21140	53.6
495.22058	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	493.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03435	1.1
59.01378	49.5
61.98844	0.9
69.46299	4.0
71.01381	14.9
72.99316	1.1
73.02939	3.0
78.95893	2.0
83.01382	2.4
85.02944	6.4
87.00868	1.3
89.02440	6.6
91.52269	0.6
92.62151	0.5
95.01376	1.6
98.20723	1.1
99.00878	2.0
101.02441	14.1
113.02429	5.9
119.03473	2.3
143.03494	1.1
159.03055	0.6
161.04541	2.4
186.65695	0.6
191.05591	1.3
254.14215	0.7
267.23215	1.0
270.98767	1.3
271.22766	1.8
300.22580	0.6
406.34174	0.7
418.17603	1.3
433.28082	2.7
475.28934	3.8
489.59903	0.6
493.30164	100.0
494.30478	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	493.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03443	0.7
58.00591	0.6
59.01378	8.5
61.98815	0.5
69.03453	0.4
69.37710	1.0
69.38129	1.8
70.00513	0.3
71.01009	0.7
71.01380	8.8
72.99300	1.0
73.02954	2.3
78.32767	0.3
83.01375	1.5
85.02951	3.7
86.00103	0.6
87.00906	1.8
87.19810	0.3
89.02453	1.9
91.05479	0.4
95.01375	0.7
98.19924	0.8
99.00870	0.9
101.02444	4.4
107.04990	0.4
111.00851	0.6
113.02456	2.5
115.06583	0.3
119.03494	0.6
124.01682	0.5
125.02446	1.0
127.11280	1.5
133.02965	2.3
135.04515	0.6
140.22263	0.3
143.03546	0.4
143.10757	0.5
157.12354	1.0
161.02426	5.7
161.04486	0.5
171.10222	0.6
191.05502	0.4
194.33047	0.4
195.06700	0.6
211.82120	0.4
233.51224	0.4
249.10020	0.3
263.50781	0.3
286.01538	0.4
295.22708	0.5
313.23856	3.6
315.18008	0.4
329.23328	1.5
331.24863	21.5
332.25275	1.6
373.25928	0.6
395.31580	0.4
417.10855	0.6
447.22537	2.6
475.29108	4.4
493.21548	3.0
493.30170	100.0
494.22784	0.6
494.30466	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	493.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01370	3.1
61.98830	3.8
80.02660	1.6
83.05026	7.1
95.05043	2.6
97.02979	1.6
97.06586	6.3
106.04263	1.8
106.53959	1.6
107.05032	5.6
109.06637	2.1
121.14892	1.4
123.04510	2.2
123.08183	3.4
125.02466	2.0
125.06075	2.6
125.09721	47.8
135.08177	8.2
153.09190	6.4
163.11342	5.6
165.12827	2.7
176.08336	2.2
178.09947	2.4
185.11838	10.2
187.09770	38.9
188.10141	1.8
191.10799	2.4
197.11772	10.5
207.10243	7.1
209.11826	81.7
210.12204	4.3
211.13408	3.6
225.11278	7.1
236.10414	2.7
243.17650	4.4
261.18582	4.4
269.15540	2.3
279.19604	2.3
279.94315	1.8
287.16501	11.6
305.17566	100.0
306.17776	10.5
307.15479	2.5
323.18646	48.4
324.18976	4.8
379.20999	4.8
382.75607	1.9
457.25662	3.5
475.26944	30.5
476.27225	3.5
493.27615	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	493.2076
Annotation	Glaucarubinone
Peak:m/z	Relative Intensity
59.01379	2.4
61.98816	1.2
63.96243	0.4
71.01366	1.4
75.00852	0.4
83.01385	0.4
85.02942	0.7
85.46331	0.3
87.79517	0.4
89.02422	0.7
92.14040	0.4
93.03458	2.0
98.20737	0.8
101.02440	1.2
106.04233	1.6
107.04961	0.5
109.02937	0.8
109.70994	0.4
111.00880	0.9
113.02454	0.6
121.02952	4.3
124.01671	0.4
132.02173	0.4
133.01929	0.8
133.02948	15.6
134.03741	28.5
135.04524	27.6
136.04793	0.8
137.02437	29.8
138.02753	1.0
139.04004	9.2
140.04341	0.6
147.04494	0.4
149.02405	0.6
150.03191	3.0
161.02434	11.4
162.02699	0.4
165.01904	0.8
177.01924	0.4
178.02702	13.9
179.03485	22.5
180.03847	0.7
187.07773	0.4
188.08368	1.2
191.05666	0.8
255.02966	0.4
271.17117	1.8
283.02673	0.6
287.16367	0.8
294.40707	0.4
294.74689	0.4
313.14404	1.1
315.15955	22.7
316.16318	1.7
331.15369	0.6
420.79980	0.4
449.21719	0.9
472.18237	0.4
493.20755	100.0
494.21063	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	493.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.3
59.01377	10.6
61.98837	2.2
69.03442	0.6
69.19566	2.4
69.19982	0.7
71.01382	6.2
72.99309	0.6
73.02936	0.8
78.80525	0.3
79.62078	0.3
83.01371	0.6
85.02942	2.2
87.00870	0.7
89.02446	4.5
91.05533	3.2
93.03485	0.4
95.01373	0.6
95.05041	0.4
101.02444	4.0
105.03458	0.9
107.05022	5.2
107.08630	0.3
109.02949	0.3
109.07468	0.3
113.02439	1.9
117.03460	3.5
119.03503	1.5
119.05045	0.7
120.99640	0.6
121.06551	0.3
123.04541	0.5
124.01655	0.4
125.02438	5.5
125.06031	0.5
132.02159	1.7
133.02951	37.6
133.06578	2.3
134.03340	1.1
135.04517	13.4
136.04829	0.5
151.07642	2.8
152.78209	0.3
161.02432	100.0
162.02739	3.4
163.03970	0.9
165.05554	1.7
169.08775	0.3
177.05569	0.5
179.03476	4.5
191.05550	0.8
195.06613	7.2
199.09767	1.0
221.04671	0.4
269.11856	1.6
269.14453	0.4
281.06635	0.4
287.05331	0.3
287.12860	1.1
315.18027	0.5
331.11877	3.2
331.14597	1.0
331.24628	0.5
357.11981	2.7
375.13297	0.4
398.60922	0.3
399.83713	0.3
418.17740	0.5
447.22113	1.0
493.20898	67.5
493.29919	5.0
494.21210	8.3
494.30295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98830	2.6
70.65889	0.3
70.66257	0.8
71.01389	2.9
73.02956	0.5
75.00896	0.3
83.01410	0.3
85.02948	1.0
89.02426	1.3
89.03976	0.4
99.00903	0.3
101.02446	1.3
104.02688	0.3
105.03455	0.7
113.02478	0.6
116.21427	0.3
117.03471	1.2
119.03496	0.3
131.03510	0.4
132.02158	1.6
133.02954	38.0
134.03662	1.0
134.68074	0.3
135.04518	7.8
147.62926	0.3
149.04588	0.6
161.02435	100.0
162.02769	3.6
177.05621	0.4
179.03481	3.9
180.03836	0.3
191.05650	0.4
209.12801	0.3
221.04550	0.4
281.06558	0.3
308.58456	0.3
431.13431	1.9
493.20779	76.1
494.21109	7.9
494.28384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01380	6.4
61.98829	4.2
69.03421	0.4
71.01379	4.3
71.54955	0.4
73.02936	0.9
75.00872	0.7
83.01374	0.8
85.02965	2.1
89.02447	3.4
93.03451	0.7
93.80162	0.3
95.01427	0.4
96.96002	4.3
99.00888	0.6
101.02431	4.1
105.03461	0.5
107.05058	0.5
108.02168	0.5
109.02956	1.2
113.02441	1.4
117.03471	0.9
119.03489	1.0
119.05022	1.0
121.02941	0.6
125.02467	0.8
132.02185	1.7
133.02953	27.7
134.03642	1.5
135.04520	13.1
136.04904	0.5
137.02431	1.2
139.04005	0.5
149.06073	1.2
151.03999	2.1
152.01111	0.5
152.07216	0.6
153.01939	0.4
161.02437	100.0
162.02792	3.8
163.04076	0.9
169.08705	0.4
175.03889	0.4
177.01915	1.1
177.04204	0.5
177.05505	1.8
179.03493	9.0
191.05539	2.3
221.04494	2.7
248.02972	0.4
251.05618	2.1
281.06699	3.3
282.06952	0.5
331.14072	14.2
332.14365	1.5
339.07297	0.5
341.08728	0.6
449.18250	3.6
475.15820	2.2
493.17230	12.5
493.21158	9.0
494.16989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
61.50213	0.6
61.98812	1.8
66.48143	0.5
69.03439	2.2
69.25199	5.9
71.01364	2.8
77.87756	0.6
79.01864	0.8
83.01381	1.2
85.02937	1.5
87.00864	1.4
89.02428	3.0
93.03455	1.2
95.01382	2.1
97.02922	1.8
99.00851	0.7
99.56178	0.6
101.02412	1.6
107.01434	1.0
109.02919	2.1
113.02422	1.3
117.03438	1.0
119.03479	0.9
120.99641	0.8
121.02969	1.5
122.02449	0.8
123.00875	7.2
123.04505	0.9
124.01671	19.6
125.02445	52.7
126.02809	1.9
133.02959	10.6
135.04527	9.6
137.02406	2.9
139.00287	0.9
144.62141	0.7
149.02429	1.1
149.99582	34.3
151.00372	3.3
152.32697	0.7
153.01910	0.9
161.02448	30.3
162.02798	1.5
163.39281	0.7
167.03491	1.6
167.13216	0.7
168.00633	74.8
169.01355	8.5
179.03459	4.2
183.10260	0.6
187.00308	1.3
189.12634	0.6
191.05574	3.2
193.01309	1.1
195.06686	0.8
238.86365	0.8
273.04120	0.7
281.06204	0.6
308.98416	0.7
313.05667	8.9
323.07697	2.2
331.06693	77.0
332.06927	4.1
433.24344	1.2
449.10089	1.4
458.11093	2.5
475.08646	1.4
493.09744	100.0
494.10138	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
59.01385	7.1
61.98822	2.5
65.00316	1.8
67.01868	1.4
71.01379	6.0
77.93506	1.3
83.01376	1.8
85.02939	3.5
87.00854	1.5
89.02457	1.8
93.03473	3.1
95.01420	2.1
101.02421	2.1
107.01380	6.2
107.05011	1.6
108.02200	1.7
109.02940	17.7
113.02441	2.1
116.02468	1.2
117.68609	1.3
121.02982	2.2
123.00871	5.4
125.02443	45.7
126.02815	1.5
133.02946	1.8
134.03734	5.3
135.04521	100.0
136.04832	3.4
137.02438	6.1
139.00394	1.7
151.00346	17.3
161.02431	10.0
164.01273	1.3
165.01907	4.0
168.00598	2.3
169.01424	65.8
170.01686	1.8
177.01927	2.7
178.02657	2.1
179.00082	6.5
179.03490	95.7
180.03825	3.6
191.05565	9.2
193.01401	1.8
211.02509	3.5
229.37729	1.7
233.04462	1.5
241.03510	2.8
243.02943	1.9
243.06416	1.6
271.02518	1.5
271.08124	2.5
286.04742	1.9
301.03650	1.6
313.05618	53.2
314.05997	3.4
317.03003	34.2
318.03412	1.9
331.06836	9.6
341.08801	6.0
449.10922	10.0
450.11230	1.5
493.09906	84.9
494.10223	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	493.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49912	0.5
59.01376	5.0
68.71400	0.5
68.98541	0.5
69.03461	0.9
71.01390	3.9
72.99323	0.7
73.02940	0.8
83.01385	1.0
85.02967	1.7
87.00867	0.6
89.02437	4.1
91.86689	0.5
93.03465	0.8
95.01393	1.2
97.02943	0.8
101.02429	3.1
107.01385	1.3
108.64990	0.5
109.02943	1.3
113.02460	1.9
119.03487	1.7
123.00866	1.6
123.04524	0.6
124.01650	2.0
125.02438	65.2
126.02796	2.0
133.02959	2.6
134.03679	0.7
135.04524	13.3
135.68921	0.5
136.04784	0.6
137.02472	1.9
139.00354	0.9
151.00348	3.4
161.02441	8.1
161.04573	1.4
165.01918	0.7
168.00644	7.9
169.01408	100.0
170.01762	3.6
177.05554	0.6
178.99854	1.7
179.03488	9.1
179.05460	2.6
191.05611	1.8
221.04459	0.9
221.06625	0.7
241.03406	0.7
269.08109	0.6
287.07571	4.5
313.05646	3.0
317.02945	7.4
323.07587	1.6
331.06674	71.2
332.07065	4.2
341.08890	0.9
433.23962	0.6
449.11240	3.0
475.08835	0.7
493.09772	22.3
494.10095	1.7
512.18311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84170	0.5
59.01379	1.2
63.02386	2.0
65.00329	3.3
71.01379	1.9
72.99326	0.7
83.01369	2.7
85.02950	0.6
89.02446	0.7
107.01389	7.4
109.02950	7.2
113.02441	0.9
114.06177	0.6
124.01665	0.7
125.02460	5.2
135.00780	0.6
137.02444	18.1
151.00362	35.2
152.00624	0.8
161.02455	0.9
163.00363	2.5
164.01186	0.6
165.01906	1.9
169.01414	5.2
178.79333	0.5
178.99846	23.2
180.00189	0.8
183.04570	0.6
190.73354	0.6
190.99832	1.0
192.00621	1.9
193.01305	1.2
193.03494	1.1
199.04028	1.2
203.03448	0.9
227.03496	1.5
229.39876	0.7
243.02974	2.5
261.04013	0.9
271.02518	4.4
299.01962	3.9
316.02359	1.9
317.03009	100.0
318.03345	7.7
331.06610	3.0
387.37924	0.6
493.06082	15.1
493.12881	1.2
494.06497	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	493.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55080	0.5
59.01381	4.6
63.02394	3.0
65.00315	3.8
68.47665	0.5
69.19855	5.0
71.01379	3.6
72.99274	0.7
83.01379	2.5
85.02953	1.5
87.00857	0.6
89.02437	2.7
93.03472	0.6
98.20696	1.0
99.00837	0.8
101.02451	1.5
107.01390	9.6
109.02947	17.0
110.03281	0.5
113.02434	1.8
119.01371	0.7
119.03492	0.7
123.00910	0.6
125.02452	9.3
131.03514	0.9
133.02902	0.5
135.04526	2.9
137.02437	17.8
137.48363	0.4
151.00357	35.3
152.00760	0.9
161.02457	2.3
161.04559	0.9
163.00385	4.2
164.01125	1.0
165.01944	3.0
169.01419	8.5
171.04546	0.6
175.02477	0.5
177.01884	1.7
178.99857	23.7
179.03464	2.2
180.00183	0.7
183.04662	0.6
187.04042	0.9
189.05519	0.6
190.99792	1.6
191.05534	2.2
192.00650	1.7
193.01396	1.2
193.03481	0.9
194.01758	0.6
196.53169	0.5
199.03932	1.0
200.88165	0.5
203.03520	0.7
215.03474	0.6
217.05121	0.6
220.63451	0.5
227.03409	1.7
242.02191	0.5
243.02945	2.5
255.03035	0.8
261.04025	1.2
271.02505	5.0
271.08194	1.5
287.02069	0.6
289.03683	0.7
299.01935	4.3
316.02112	1.0
317.02997	100.0
318.03326	6.6
331.06625	2.0
433.24313	2.0
449.10962	2.3
493.05554	11.6
493.22870	0.8
494.06503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Lurasidone
Peak:m/z	Relative Intensity
50.97770	0.6
56.09557	0.6
57.03434	0.9
58.00580	2.2
59.01384	16.4
61.98822	1.6
69.03428	1.5
69.21749	1.0
69.22154	5.7
71.01376	16.4
71.05013	1.2
72.99287	1.2
73.02946	11.9
75.94426	0.6
83.01373	1.5
85.02921	2.6
87.00877	0.7
89.02431	3.1
89.20602	0.6
96.96010	3.1
97.02963	0.7
97.49451	0.6
98.20914	0.5
99.00868	1.0
101.02451	3.7
107.05040	0.7
110.91302	0.7
113.02404	2.3
115.04013	1.0
119.03474	0.8
125.02390	1.4
125.06041	2.8
129.36046	0.6
132.17104	0.7
133.05045	1.7
135.04416	0.7
137.02438	4.3
139.07617	1.4
163.14938	1.5
167.14420	3.3
168.14656	0.6
173.13385	0.8
175.14873	0.8
179.14397	2.7
183.13882	6.1
191.05643	1.7
191.14438	6.3
195.13892	15.5
196.14264	0.9
197.14130	0.6
197.15468	5.5
207.13901	4.2
209.15472	10.2
213.14943	44.4
214.15250	2.2
227.16492	27.6
228.16833	1.0
237.14925	13.8
238.15219	0.8
249.14839	1.2
255.15987	23.8
256.16248	1.5
267.15836	2.3
315.18225	0.8
431.25696	0.6
491.24884	100.0
492.25119	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	492.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25031	0.3
54.38747	0.4
59.01381	4.6
61.98828	100.0
62.99149	0.3
71.01363	2.3
85.02946	0.5
87.00797	0.3
87.82533	0.3
89.02441	2.6
93.03461	0.3
101.02470	1.3
113.02457	0.8
115.12175	0.3
119.03484	1.5
119.79969	0.3
133.02957	0.4
135.04538	0.6
143.03438	0.4
155.59085	0.3
161.02467	0.9
161.04616	0.5
161.13412	0.5
179.03502	0.5
179.05632	1.3
191.05579	1.7
205.12306	2.6
249.11320	4.3
250.79015	0.3
277.88803	0.3
331.12500	0.4
415.06403	0.3
429.17596	2.0
493.16956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24561	0.2
59.01379	0.9
61.98816	0.4
69.26843	0.5
69.27235	2.0
70.29926	0.2
71.01366	0.5
85.02945	0.4
87.68529	0.2
89.02440	0.3
93.03463	1.0
98.20611	0.4
101.02431	0.4
106.36115	0.2
111.00796	0.2
116.65400	0.2
119.05023	100.0
120.05345	3.4
121.92156	0.2
163.04001	81.3
164.04347	3.6
184.29268	0.2
191.05585	1.3
197.11771	0.2
205.90900	0.2
307.08032	0.4
491.19260	1.2
491.28592	1.7
494.17224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40470	0.4
53.95024	0.4
56.55567	0.4
57.03430	0.4
59.01103	0.6
59.01379	6.7
61.98838	1.9
68.49461	0.4
70.20934	0.4
71.01376	2.5
71.54691	0.5
72.99284	0.6
73.02945	0.6
74.99601	0.3
75.00863	1.0
75.26794	0.3
76.04469	0.4
79.77885	0.4
83.04987	0.4
85.02939	1.4
87.00871	0.7
89.02432	1.9
93.03464	2.1
95.01360	0.4
99.00944	0.5
101.02440	1.4
107.42707	0.3
109.02949	0.7
113.02451	1.0
119.05022	100.0
119.19004	0.4
120.05341	3.7
124.01644	0.4
131.03505	0.4
133.02948	0.9
134.03711	0.5
135.04486	3.1
136.04874	0.6
137.39478	0.4
139.82506	0.4
149.04558	0.5
153.01871	0.5
153.12848	0.7
155.40935	0.4
161.02391	2.2
161.04521	0.5
162.03215	0.4
163.04004	89.6
164.04326	3.5
173.04544	0.6
179.03481	1.1
179.10678	0.4
191.03964	0.8
191.05586	6.2
192.06050	0.5
197.11815	1.2
201.01939	0.4
201.11343	0.7
271.02292	0.5
273.03018	0.6
301.02966	0.5
313.13800	0.5
353.08755	0.6
453.18323	0.7
472.04013	0.5
491.27902	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	491.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23697	0.9
59.69267	0.8
63.96237	29.7
65.10101	0.8
66.00106	0.9
71.01365	1.0
71.59581	0.8
72.99312	23.3
73.98320	7.2
74.99101	1.5
78.95850	1.1
98.20783	1.5
98.24571	0.9
102.33876	1.0
114.62128	0.9
117.97301	18.4
135.98354	100.0
136.98595	0.9
167.17519	0.8
191.05569	3.9
229.99939	1.1
250.33156	0.9
263.50482	1.0
269.85904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86046	0.7
57.03437	0.7
59.01376	11.6
69.23831	5.0
69.24250	2.4
71.01376	2.8
73.02936	4.1
75.00866	5.0
85.02960	1.4
85.08994	0.7
86.55312	0.8
87.00870	1.3
89.02432	9.3
98.20710	1.6
103.04021	1.7
122.56533	0.8
131.03479	8.8
149.04547	100.0
150.02292	1.8
150.04881	1.9
171.99304	0.8
176.74846	0.8
188.51659	0.8
258.05206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1916
Annotation	Toonaciliatin F
Peak:m/z	Relative Intensity
55.01867	0.9
57.03440	0.6
58.00596	0.4
59.01379	10.7
62.76861	0.3
71.01015	0.5
71.01382	8.4
72.75324	0.3
72.99302	0.9
73.02943	2.2
83.01388	1.9
85.02955	3.8
86.00095	0.7
87.00861	1.5
89.02444	3.2
93.03428	0.6
95.01370	0.5
97.02903	0.3
98.19855	0.8
99.00871	1.0
101.02439	5.6
102.69523	0.3
109.02931	1.2
113.02460	2.2
119.03502	0.8
121.02950	6.4
122.03768	0.4
123.00878	0.3
129.58612	0.3
135.04504	1.1
145.02977	0.3
147.04539	0.7
159.03149	0.6
159.04466	3.0
161.02469	0.5
161.04504	0.4
161.06026	0.3
173.04536	0.6
178.65552	0.3
179.03598	0.5
191.05621	4.5
192.05966	0.5
211.03853	0.3
212.04724	0.3
219.02950	0.5
224.75919	0.3
227.03464	1.0
227.07178	0.5
237.05609	0.3
239.07030	0.4
240.04233	1.2
241.04691	0.3
251.06987	0.5
252.07938	0.3
253.08617	1.0
254.05804	0.9
255.03064	0.5
255.06544	2.2
256.07339	0.5
263.07138	0.9
265.08487	0.5
267.06479	0.4
268.07391	3.0
269.08185	5.3
270.08878	3.1
271.09686	1.0
281.08170	12.8
282.08780	2.3
283.09732	5.7
284.10208	0.6
296.10434	1.7
297.11237	0.9
299.09238	4.2
300.02838	0.4
300.09866	1.9
302.07855	1.5
313.10489	0.4
314.11554	8.6
315.05026	0.6
315.12289	4.1
328.09412	0.6
329.09909	0.5
329.13889	9.9
330.14224	1.2
343.11880	2.9
344.12094	0.4
355.72186	0.3
356.12637	0.5
357.13446	0.7
359.01907	0.3
406.72281	0.3
461.14404	1.8
476.10043	0.5
476.16818	8.7
477.17255	1.1
491.19193	100.0
492.19528	13.6
492.26831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1194
Annotation	Isopyrenin
Peak:m/z	Relative Intensity
51.01279	0.7
59.01371	2.6
61.98793	0.7
69.03407	0.6
71.01390	0.8
71.54020	1.1
73.02959	0.6
78.95889	1.3
85.02962	0.7
91.01894	1.3
93.03455	0.7
95.05018	1.5
101.02422	0.8
110.07494	0.7
119.01398	1.3
137.02385	0.8
147.00877	4.0
160.01599	0.6
161.02475	1.5
163.00372	2.5
164.01144	4.3
165.01909	1.0
172.01756	0.8
173.02475	0.7
173.52176	0.6
175.00365	6.9
176.01070	2.0
177.02003	1.4
179.03485	1.4
183.41992	0.6
187.00247	0.9
190.99799	0.9
191.05699	1.5
199.00298	0.8
200.01099	2.6
201.01961	2.8
202.99826	5.4
204.00595	1.4
214.99870	1.6
216.00639	0.9
217.01392	2.3
228.00606	3.7
229.01309	1.4
229.98581	1.8
230.99257	1.0
234.01595	2.0
235.02509	3.2
241.05005	0.7
242.99236	1.4
244.00108	2.3
245.00903	10.6
246.98825	2.1
256.00143	3.2
259.99417	1.3
260.03290	1.2
261.04010	11.7
262.01190	2.1
263.01892	0.9
270.98880	4.3
271.99500	2.6
273.00360	1.6
275.01956	1.1
285.03738	0.8
288.02783	1.3
296.06696	0.9
297.07550	1.2
299.98984	1.1
301.03210	0.7
303.01428	3.3
304.01807	0.6
309.03973	0.7
323.05618	1.2
324.06201	1.0
343.75836	0.7
351.05026	1.3
355.08206	2.3
383.07495	1.2
387.54877	0.7
459.09387	3.7
491.11917	100.0
491.33612	5.6
492.12247	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	491.1194
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
54.08185	0.3
57.03446	0.4
59.01370	1.3
69.33070	1.8
69.33503	1.3
71.01381	2.3
73.02934	0.9
78.81276	0.4
83.01353	0.4
85.02954	1.6
89.03960	0.5
95.01376	0.5
96.96949	0.9
101.02457	1.4
105.03435	0.6
108.02171	1.1
109.02944	1.0
113.02464	1.2
117.03474	1.0
121.02952	1.6
122.03731	6.6
123.04538	7.6
124.04910	0.4
125.02458	0.6
131.36743	0.4
132.02184	1.6
133.02956	36.5
134.03653	1.2
135.04521	13.7
137.02423	1.2
149.02423	1.0
159.04526	0.5
161.02437	100.0
162.02747	3.6
177.05557	1.4
179.03490	7.3
191.05618	2.1
203.03561	0.7
205.82018	0.4
221.04500	1.1
263.05722	0.5
323.07733	6.3
324.07852	0.4
329.08768	2.2
332.92279	0.4
353.14072	0.4
447.12943	39.2
448.13339	3.6
452.23734	0.5
473.10837	10.3
474.11188	1.4
491.11957	27.5
492.12280	3.2
498.17670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0829
Annotation	8-Hydroxyluteolin 4'-methyl ether 8-glucuronide
Peak:m/z	Relative Intensity
59.01379	12.9
60.28206	1.1
61.98817	2.5
71.01381	9.9
72.63712	1.3
85.02937	11.6
87.00879	3.2
93.03475	3.1
95.01375	2.7
99.00898	3.3
101.02417	1.7
103.00394	2.4
109.02956	2.3
113.02446	13.5
120.99622	5.3
135.04526	4.8
137.02414	2.8
151.00423	3.8
161.02437	2.2
163.00325	1.5
164.48540	1.5
169.01375	1.4
170.83112	1.2
173.04535	1.8
175.02429	2.6
179.03459	4.4
191.05634	15.5
191.07248	2.3
192.05911	1.7
227.03439	3.0
243.02979	7.2
254.02348	1.6
255.02951	14.2
256.03491	1.8
271.02438	26.2
272.03061	5.6
300.02728	44.3
301.03226	2.4
315.05075	100.0
316.05328	7.9
329.13702	1.7
335.47937	1.4
351.04608	1.4
352.38892	1.4
383.01489	1.3
414.92950	1.5
491.08139	2.8
491.21008	2.3
491.28131	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	491.1193
Annotation	Quercetin 3,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
55.48347	0.7
56.99573	0.6
59.01374	7.2
61.98824	5.6
69.03445	1.0
71.01388	5.6
71.54549	0.8
73.02940	0.9
75.00855	0.8
81.03434	1.5
83.01373	0.8
84.49362	0.7
85.02956	4.6
87.00835	1.0
89.02443	2.2
93.03462	3.2
95.01399	1.1
96.95979	0.7
101.02434	2.5
108.02174	51.4
109.02957	34.2
110.03306	1.4
113.02437	2.3
113.10857	0.6
117.03436	0.9
119.03442	0.9
119.05003	2.0
119.41167	0.7
120.99608	1.0
121.02921	1.8
123.00877	1.5
123.04501	1.2
125.02451	1.7
132.02180	5.5
133.02959	9.9
134.03738	8.0
135.00879	1.3
135.04529	10.8
136.04807	1.1
136.72099	0.6
137.02422	1.5
139.03932	0.8
140.36462	0.6
147.04433	1.0
148.05252	1.0
149.06070	1.6
151.04004	0.9
152.01149	63.6
153.01942	29.6
154.02318	1.2
160.01656	32.4
161.02443	27.7
161.04463	1.4
162.02806	1.1
163.03981	3.1
167.03488	0.9
173.04507	1.8
175.03986	24.4
175.05524	1.2
176.04330	1.3
177.01878	2.7
179.03464	5.8
191.04004	1.1
191.05627	17.6
192.05917	2.0
193.04861	3.7
199.04062	1.1
201.05443	0.9
211.03967	1.2
221.04565	0.8
225.03961	0.8
227.03403	1.7
228.04092	1.0
243.06467	1.1
255.02959	1.1
265.07025	0.9
271.02435	1.2
273.03821	0.7
285.03946	1.9
285.07355	0.8
299.01834	0.9
300.02679	1.3
301.03281	1.4
312.02747	0.9
313.03445	5.6
315.07190	20.0
316.07623	1.3
323.07709	4.2
329.06683	1.2
337.09195	2.3
353.08707	0.9
447.12933	2.5
448.08722	0.9
456.01050	0.6
459.09103	2.9
461.18112	1.3
473.18243	0.9
476.09726	1.1
491.11819	100.0
492.12186	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3221
Annotation	Homaline
Peak:m/z	Relative Intensity
50.23767	0.3
59.01367	1.2
60.02626	0.3
61.98817	1.2
71.01373	0.9
73.02950	1.6
78.08553	0.3
78.95898	3.6
85.02932	0.6
93.03436	0.3
98.20661	0.8
109.12672	0.3
110.68610	0.3
152.99519	0.7
171.00601	0.9
175.77248	0.3
183.01144	0.3
191.05603	1.1
231.29965	0.4
293.21298	0.6
361.25031	0.3
377.28534	0.5
393.28018	1.2
441.30106	0.5
471.31195	0.4
489.32178	100.0
490.25662	1.8
490.32443	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	491.083
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
53.32933	0.3
59.01378	1.9
60.58725	0.3
60.89259	0.3
61.77650	0.3
65.28958	0.2
66.96770	0.3
68.17335	0.3
69.03440	0.3
70.84312	0.4
70.84644	0.6
71.01382	0.9
71.84789	0.3
73.68148	0.3
74.42227	0.2
75.05406	0.3
81.03441	0.5
85.02945	0.4
89.02430	0.4
89.03975	1.9
89.55096	0.3
90.45716	0.2
93.03461	0.8
101.02437	0.6
104.02702	0.3
105.03455	3.1
107.01385	1.6
109.02948	0.5
111.00906	0.4
113.02403	0.4
123.00872	0.9
123.52005	0.3
125.02439	6.5
129.58925	0.3
133.02953	7.4
135.04510	0.9
149.02444	0.9
151.00307	0.5
154.63463	0.3
161.02440	0.9
169.01405	7.0
170.01625	0.4
173.04521	0.4
176.01131	1.4
177.01917	100.0
178.02252	3.8
179.03571	0.3
191.05586	3.2
192.05849	0.3
215.75308	0.3
217.01439	0.3
227.03488	0.3
255.03070	0.4
285.07532	0.6
299.05652	0.6
313.01880	0.4
313.05597	7.6
321.02505	0.3
339.07169	22.2
340.07361	1.6
347.00250	0.4
469.45154	0.3
491.08234	19.3
492.08469	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81987	0.4
57.03429	1.3
58.00581	1.2
58.99946	0.5
59.01379	29.8
61.98827	1.4
68.83022	0.4
69.03452	0.6
71.01379	17.6
72.99298	1.5
73.02947	1.4
78.95891	0.9
80.94357	0.4
83.01377	1.0
85.02940	5.1
87.00887	1.1
89.02444	10.7
93.03456	0.9
95.01375	1.5
95.38240	0.4
97.06592	0.9
99.00890	0.5
100.60673	0.5
101.02430	8.6
111.04494	0.6
113.00505	0.5
113.02467	3.6
119.03492	3.6
119.04970	0.5
125.09737	0.5
133.03011	0.6
135.04602	0.6
137.02420	1.1
137.09671	0.5
143.03464	0.8
147.04495	1.2
155.10780	1.5
161.02428	0.7
161.04532	0.6
161.05968	0.4
162.41855	0.5
163.11256	0.5
165.12817	1.4
171.10280	4.1
179.14468	0.7
183.13855	1.6
191.05609	4.3
193.16037	0.5
209.11795	1.0
211.13388	4.3
223.13365	0.5
227.12842	0.7
229.14417	6.3
239.16515	1.0
247.20602	1.3
258.54626	0.6
291.19656	11.7
292.19977	0.6
309.20700	7.9
310.21066	0.7
311.22418	0.9
327.21725	5.2
453.31873	0.5
455.31924	0.5
489.27026	100.0
490.27383	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	489.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30722	2.8
56.65812	3.2
57.58818	3.4
59.01368	15.6
59.69615	2.8
61.98824	5.1
71.01369	4.4
85.02937	5.2
88.26959	3.3
94.63882	3.3
101.02473	3.6
116.03040	3.4
132.54993	3.5
161.02467	3.6
164.17578	2.9
165.12825	14.2
191.05576	14.9
197.02226	6.3
243.35634	2.9
247.20639	5.5
273.18503	5.1
291.19641	100.0
291.82007	3.9
292.19910	10.7
419.35007	4.1
456.32535	4.1
488.34436	6.0
489.22095	3.6
489.32663	26.0
490.24902	4.2
490.33841	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03451	0.8
58.00584	1.5
59.01380	38.0
61.98810	1.8
65.54459	0.4
69.03430	0.5
69.27021	3.9
70.85916	0.4
71.01382	15.8
71.40937	0.4
72.99303	1.9
73.02937	2.2
76.57368	0.4
78.95890	0.4
82.18053	0.4
82.70938	0.4
83.01376	1.6
85.02956	5.1
87.00883	1.3
89.02447	12.0
93.03439	0.7
95.01398	1.5
97.02991	0.6
99.00872	0.6
101.02445	10.1
102.98590	1.5
107.08665	1.6
109.02930	1.7
113.02455	5.6
115.72039	0.5
119.03509	4.0
119.04919	0.5
119.08672	0.8
125.09718	1.9
125.57272	0.5
127.11304	2.9
134.03749	0.8
135.04527	28.3
136.04851	0.8
137.09685	0.6
151.00330	0.9
155.10739	1.1
161.02441	1.4
163.03999	1.1
165.09171	1.3
171.10281	5.0
178.06320	0.8
179.03523	0.6
183.10255	0.4
191.05641	3.9
193.08694	1.3
199.09727	1.0
201.11333	26.9
202.11589	1.6
238.65565	0.4
243.02962	1.1
253.03926	1.0
255.02936	2.8
266.89267	0.5
271.02478	6.8
273.18631	1.2
285.04037	1.1
291.19592	1.8
299.01984	0.7
300.02731	11.9
301.03229	2.0
309.20688	3.8
327.21780	1.3
349.62976	0.5
387.20712	0.5
427.13959	1.5
453.17548	1.0
471.25760	1.0
489.11343	4.9
489.27017	100.0
490.10910	0.7
490.27374	12.6
493.41467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05947	0.7
59.01108	1.2
59.01378	15.2
64.69817	0.8
67.01885	1.0
71.01009	1.5
71.01380	20.5
71.19147	1.1
72.99304	2.0
73.02933	1.8
75.77990	0.8
83.01363	3.8
85.02957	3.2
87.00871	26.5
88.98794	2.0
89.02435	2.3
93.03458	1.9
96.95992	2.7
99.00880	0.9
101.02438	2.1
109.02950	1.5
111.00880	7.8
112.98707	1.0
113.02457	2.7
115.00369	51.7
119.90046	0.8
121.02915	1.5
125.02437	2.1
127.00374	1.6
135.04515	1.8
139.00357	12.2
146.03706	3.6
146.06087	1.1
153.01909	2.0
157.00166	1.6
157.01405	27.2
161.02467	2.0
161.06062	2.0
167.07123	0.9
169.01387	3.5
173.04424	0.7
174.05592	1.8
175.02463	100.0
176.02818	2.3
191.05602	10.9
216.92081	0.8
226.12335	2.7
241.07422	1.3
257.13068	0.8
269.12888	12.3
270.13235	0.9
271.02414	1.3
285.80771	0.8
297.12405	1.3
299.13861	1.2
313.11917	12.4
314.12170	0.9
327.07590	1.9
327.12854	1.7
329.12408	3.1
341.11523	1.1
343.06836	1.0
343.12918	2.0
365.15280	1.2
371.12430	7.1
385.14169	1.5
399.15579	0.9
409.14114	7.2
410.14417	1.0
427.15033	10.2
429.12924	3.2
471.14197	1.3
489.17267	4.4
490.16653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65676	0.1
55.76910	0.1
59.01380	1.3
61.98821	0.5
62.46086	0.1
69.29702	0.9
69.30109	0.3
71.01372	0.5
72.99310	0.2
74.50165	0.1
78.95895	0.2
87.00875	0.5
89.02443	0.2
107.05016	0.4
109.02948	2.3
117.03443	0.3
119.92494	0.2
133.02930	0.2
134.03748	1.7
135.04521	100.0
136.01648	0.5
136.04854	3.9
137.02438	5.6
137.06041	0.2
138.02853	0.2
138.98657	0.2
139.98616	0.2
143.56834	0.2
145.02916	0.4
147.04555	0.8
151.03987	0.5
153.01878	0.2
153.05562	0.2
161.02408	0.8
161.06081	0.4
163.03879	0.1
171.45499	0.1
177.01924	0.8
179.03569	0.3
181.05080	0.5
191.05603	0.7
191.79323	0.1
203.17757	0.1
243.02917	0.2
255.02977	0.7
256.03357	0.2
271.02530	1.0
281.06799	0.2
294.09048	0.3
300.02768	1.5
301.03348	0.2
309.11328	0.2
327.11282	0.3
427.14273	0.3
489.14978	1.4
489.26828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16340	0.6
52.60620	0.5
59.01379	5.4
60.99313	0.8
67.01883	2.3
69.03447	2.1
70.81741	0.5
71.01390	2.8
71.22482	0.7
81.03452	1.2
83.05006	0.7
85.02946	5.9
87.00867	4.0
89.02403	1.3
93.03453	11.9
94.00613	0.5
96.95992	1.5
97.02948	1.3
98.34763	0.6
99.04536	0.7
101.02428	1.1
107.01385	13.4
107.05126	0.6
109.02948	2.4
111.00834	0.5
111.04494	3.3
113.02474	0.8
117.03481	0.6
119.05021	4.4
123.00880	1.1
124.01660	0.7
125.02441	41.4
126.02751	0.7
127.03966	1.4
133.02892	0.6
135.04486	2.0
137.02391	0.7
141.01930	0.7
145.02953	1.5
149.99626	0.7
153.01930	4.4
155.03467	2.0
158.23599	0.5
161.02409	1.0
163.04016	4.3
167.71317	0.5
168.00677	0.9
169.01414	78.9
170.01762	2.4
173.04562	6.5
179.03459	0.9
190.26358	0.5
191.05602	100.0
192.06067	2.9
287.49265	0.5
287.52487	0.6
327.07278	2.9
331.06711	1.5
337.05301	1.2
337.09262	18.4
337.13315	1.3
338.09567	1.3
343.06677	49.4
344.07150	3.5
489.09933	3.9
498.72571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16340	0.6
52.60620	0.5
59.01379	5.4
60.99313	0.8
67.01883	2.3
69.03447	2.1
70.81741	0.5
71.01390	2.8
71.22482	0.7
81.03452	1.2
83.05006	0.7
85.02946	5.9
87.00867	4.0
89.02403	1.3
93.03453	11.9
94.00613	0.5
96.95992	1.5
97.02948	1.3
98.34763	0.6
99.04536	0.7
101.02428	1.1
107.01385	13.4
107.05126	0.6
109.02948	2.4
111.00834	0.5
111.04494	3.3
113.02474	0.8
117.03481	0.6
119.05021	4.4
123.00880	1.1
124.01660	0.7
125.02441	41.4
126.02751	0.7
127.03966	1.4
133.02892	0.6
135.04486	2.0
137.02391	0.7
141.01930	0.7
145.02953	1.5
149.99626	0.7
153.01930	4.4
155.03467	2.0
158.23599	0.5
161.02409	1.0
163.04016	4.3
167.71317	0.5
168.00677	0.9
169.01414	78.9
170.01762	2.4
173.04562	6.5
179.03459	0.9
190.26358	0.5
191.05602	100.0
192.06067	2.9
287.49265	0.5
287.52487	0.6
327.07278	2.9
331.06711	1.5
337.05301	1.2
337.09262	18.4
337.13315	1.3
338.09567	1.3
343.06677	49.4
344.07150	3.5
489.09933	3.9
498.72571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
82.32481	0.2
98.20663	0.6
138.16624	0.2
355.11038	0.2
364.11349	0.3
384.01700	0.2
423.32626	0.6
443.35303	0.4
469.33374	2.1
477.96619	0.3
487.34305	100.0
488.34665	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	487.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
70.64648	0.7
118.76171	0.3
122.35397	0.3
128.62152	0.3
194.40906	0.2
254.45734	0.3
409.30942	0.5
423.32803	0.4
427.32230	0.8
441.34067	0.3
457.32297	0.4
469.33316	2.9
487.34280	100.0
488.34595	13.8
488.85928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89548	0.8
59.01376	4.0
61.98829	100.0
69.03452	0.9
71.01391	2.4
71.53977	1.0
72.99297	0.8
78.95947	0.9
79.11964	0.9
85.02972	2.1
89.02455	1.9
93.03461	2.7
101.02425	1.2
113.02424	1.1
119.05026	5.7
120.05379	3.1
125.02445	3.5
126.02798	1.0
133.02948	7.6
134.03807	6.3
135.04535	16.4
136.04898	2.0
137.02449	6.7
139.04054	3.1
147.04518	1.7
149.06107	1.0
161.02431	14.0
162.02789	3.5
163.04031	3.4
164.04343	1.3
165.05580	0.9
169.01442	6.3
173.04524	2.0
178.02737	4.0
179.03517	13.8
180.03822	1.0
191.05608	36.0
192.06058	1.1
193.06203	1.1
246.72398	0.7
247.09804	1.0
323.07608	5.5
324.08121	4.5
343.06836	2.1
353.08762	5.4
359.49734	0.7
425.14545	46.7
426.15134	3.3
451.43823	0.8
470.16837	2.1
471.12759	1.2
487.34454	1.5
488.12732	4.4
488.19211	1.1
489.10541	1.4
491.28333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79052	0.3
70.85233	0.8
94.46761	0.3
190.86935	0.2
203.54556	0.2
421.31036	0.5
428.05515	0.3
441.33377	0.5
487.34262	100.0
488.34583	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	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.00571	0.4
68.18008	0.4
71.29312	0.7
78.87502	0.3
83.05022	0.8
84.96588	0.3
103.30308	0.3
121.66171	0.3
128.55800	0.3
159.23767	0.3
292.11011	0.4
377.28156	0.4
379.26462	0.4
393.31641	0.9
395.29520	0.4
407.29193	0.5
409.31223	0.6
423.32797	1.6
425.30115	0.7
425.34979	0.6
427.32098	1.5
441.33582	1.6
443.35324	1.4
487.34280	100.0
488.34653	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
65.75746	0.8
71.53059	1.1
71.53455	1.2
71.92870	0.9
77.51622	0.7
89.85166	0.7
97.06579	3.3
191.14426	1.6
389.28461	2.7
391.30276	3.8
405.31595	5.2
406.32129	1.0
407.33350	10.4
408.33749	1.1
409.31259	1.2
423.32773	2.4
437.30576	1.8
439.32095	1.9
441.33685	19.1
442.34119	3.1
449.30753	1.2
451.32138	17.7
452.32568	2.7
453.33731	100.0
454.34015	13.6
467.31592	2.5
469.33289	4.5
471.34799	1.3
485.32690	1.1
487.34283	42.5
488.34579	7.1
497.32767	2.2
513.32300	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	487.3428
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
57.03442	1.1
57.34286	0.8
58.16324	0.8
60.99304	1.2
64.15749	0.8
65.70382	0.8
69.76755	0.9
70.38461	1.4
70.38822	1.8
76.17965	1.0
80.86067	0.9
97.06586	4.8
191.14455	0.9
289.21817	1.2
389.28503	1.6
391.29947	2.9
393.27832	1.1
405.31577	3.9
406.31253	0.8
407.33350	13.1
408.33475	1.9
409.30917	1.7
423.32831	2.1
441.33743	15.3
442.33804	1.6
449.30524	1.5
451.32196	17.6
452.32413	2.5
453.33722	100.0
454.34076	16.4
467.31573	3.0
468.32394	0.9
469.33090	2.0
471.34106	1.0
485.33099	1.8
487.34747	41.8
488.35104	5.0
497.32660	2.4
513.32166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60450	0.5
55.06809	0.5
56.87345	0.4
60.13677	0.4
71.05023	1.1
86.87785	0.5
90.57166	0.4
144.07761	0.5
147.70332	0.5
185.01654	0.5
258.14517	0.6
389.28427	1.3
390.01071	0.5
397.41940	0.6
406.28720	0.9
407.33182	1.8
417.95602	0.6
421.31531	1.0
423.32730	3.3
425.34079	1.5
427.32114	1.2
443.35431	0.6
469.33176	27.6
470.33530	3.6
487.34268	100.0
488.34619	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	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.51178	0.2
56.54132	0.1
60.99308	0.9
66.42841	0.2
69.03443	0.2
70.84623	0.2
82.47678	0.2
83.05046	0.2
84.88951	0.2
110.40845	0.2
162.96486	0.2
183.11949	0.2
205.16010	0.6
218.05266	0.2
276.67178	0.2
335.24014	0.3
351.26907	2.2
352.26996	0.2
377.28195	0.4
391.30121	0.2
393.31674	0.5
399.29004	0.4
401.26917	0.8
407.33292	3.0
408.33688	0.3
423.32675	0.5
425.34357	1.5
439.32294	0.2
441.33572	0.3
457.33173	0.3
467.32098	0.2
469.33246	1.9
470.33585	0.3
487.34256	100.0
488.34601	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	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86668	0.3
71.30191	0.3
71.30554	0.6
86.92071	0.3
200.60023	0.3
275.35104	0.3
374.57605	0.3
379.29819	0.3
388.12643	0.3
409.31174	1.1
421.30908	0.4
487.34265	100.0
488.34601	13.8
488.41766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.7
60.76566	0.3
61.98827	0.9
71.01377	2.4
73.02937	0.4
75.00878	0.6
85.02952	0.7
87.00876	0.4
89.02431	1.3
93.03458	1.6
99.00825	0.6
101.02426	0.7
105.03465	0.8
108.61707	0.4
109.02953	0.6
113.02477	0.7
117.03483	1.1
119.05024	62.4
120.05336	2.3
121.02955	0.5
125.02433	0.6
132.02161	1.6
133.02954	31.5
133.06575	1.4
134.03671	1.8
135.04521	29.0
136.04832	1.2
137.02415	0.8
145.02979	0.8
149.06113	0.9
159.04527	0.5
161.02432	100.0
162.02788	4.1
163.04004	22.1
164.04312	0.8
169.01378	0.7
173.04584	0.7
175.04019	0.4
177.01997	0.7
177.05519	3.2
178.02620	0.5
179.03488	24.4
180.03802	1.0
187.07608	1.0
191.05594	2.7
192.06042	0.5
203.03476	1.2
221.04501	4.0
231.10188	0.6
237.06174	0.6
251.05656	0.5
263.05594	1.0
268.15741	0.4
280.05847	0.6
293.08630	0.5
307.08301	0.9
323.07681	34.4
324.08179	2.5
324.11359	0.5
367.88278	0.4
378.62427	0.4
443.13428	4.2
444.13724	0.5
487.12402	47.1
487.34338	0.9
488.06253	0.7
488.12769	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	487.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23339	0.5
50.40995	0.3
55.01878	4.5
57.03452	3.4
58.00589	1.4
59.01379	36.2
60.01706	0.4
69.03446	1.1
71.01380	53.0
71.53536	0.4
72.01716	0.4
72.99304	2.1
73.02943	22.3
75.00884	1.5
78.95905	0.9
81.03451	0.8
83.01383	9.1
84.01689	0.4
85.02948	21.5
86.00105	1.4
86.03243	0.4
87.00877	3.5
89.02444	27.7
95.01384	3.9
97.02947	1.9
99.00887	9.0
99.04533	0.5
101.02441	43.5
102.02777	0.7
111.00874	1.3
113.02450	20.0
115.04025	2.1
119.03492	10.1
121.19853	0.4
125.02431	3.0
127.04005	0.6
127.66241	0.4
129.01952	0.7
131.03516	3.3
135.04533	0.4
141.01930	0.4
143.03494	3.0
149.04549	3.7
151.67578	0.5
159.03015	2.7
161.04550	15.2
179.05637	4.8
191.05615	1.9
233.06696	2.4
289.37909	0.4
293.08768	1.6
327.92645	0.5
355.21240	41.5
356.21524	3.3
487.25586	100.0
487.34128	18.9
488.25906	11.6
488.34506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68481	3.1
53.05407	4.1
70.99970	7.3
71.01362	17.3
72.99332	7.5
75.29432	3.3
77.46263	3.0
78.95902	35.1
85.02954	3.9
96.96014	9.6
96.96964	42.0
113.83253	3.4
115.00377	38.5
133.01424	100.0
191.05530	18.9
214.99815	3.7
295.10229	4.4
389.10965	4.3
487.11179	5.9
514.15228	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	487.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
59.01386	2.4
60.99318	0.2
61.98817	0.5
67.01872	1.2
69.03452	0.4
71.01376	1.6
71.52683	0.3
72.99299	0.3
73.02934	0.6
81.03464	0.4
85.02945	8.3
86.03284	0.3
87.00877	2.4
93.03459	6.1
94.03805	1.2
96.96014	3.4
97.07190	0.3
99.04515	0.5
108.02188	0.3
109.02939	1.1
111.04524	1.9
113.02449	0.4
119.05007	0.4
125.02446	0.6
127.03996	2.3
129.01917	0.3
133.03008	0.3
135.04494	0.9
145.02988	0.4
149.02495	0.3
155.03465	0.5
161.02422	1.1
163.04044	0.3
163.99373	6.4
165.00160	1.2
166.00987	1.8
169.01370	0.4
171.02972	0.7
173.04523	3.2
174.04834	0.4
175.05089	0.3
176.04701	0.3
177.09235	0.4
178.55809	0.3
179.01747	0.5
179.03465	0.5
180.99594	0.4
181.03288	3.6
187.07626	0.4
191.05602	100.0
191.98859	17.0
192.05934	7.0
192.99236	0.5
193.06091	3.9
203.07121	0.4
207.01189	19.1
207.09190	0.5
208.01534	0.9
225.02228	1.2
251.11940	0.3
269.04907	2.5
295.02878	0.4
313.03836	1.1
325.10907	0.4
339.91562	0.2
379.09244	0.2
399.07587	3.4
469.16202	2.7
470.15732	0.2
487.09149	9.1
487.17081	5.8
487.34412	0.8
488.09656	1.0
488.16400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
60.18070	0.6
61.98834	5.6
65.00112	0.6
65.09937	0.7
69.03453	2.0
69.17591	6.4
79.01913	0.9
81.03448	0.9
87.00848	1.1
93.03456	12.9
94.03809	0.6
95.01417	1.2
96.96005	1.7
97.02962	2.3
98.20761	1.4
107.01411	3.6
107.05022	1.4
107.20570	0.6
109.02938	4.9
111.00883	1.7
111.04551	0.9
115.03992	0.9
117.03478	0.9
121.02934	0.9
123.00864	1.1
123.04571	0.8
124.01660	5.5
125.02445	59.5
126.02781	1.9
132.48659	0.6
133.02942	7.5
134.03709	2.2
135.04524	27.7
135.45543	0.6
137.02437	4.9
139.00359	2.2
140.01137	1.2
147.04521	0.8
153.01880	1.0
159.04503	2.4
161.02432	34.8
162.02788	1.6
165.07085	0.9
168.00635	14.2
169.01416	100.0
170.01787	3.7
170.02936	0.6
172.05327	0.9
173.04529	1.8
173.06044	1.3
174.05003	0.8
174.06792	0.9
179.03497	15.3
185.06030	2.4
191.05603	2.8
192.06017	1.0
193.06290	1.9
197.94766	0.6
201.05588	1.8
201.09245	0.9
209.06078	2.6
209.11804	1.2
211.07642	13.3
212.07980	0.8
229.08636	3.9
242.71832	0.8
242.97508	0.9
255.06570	5.0
256.06781	0.8
263.05670	1.0
273.07675	22.7
274.08075	1.3
288.95099	0.7
289.03564	1.3
299.05566	1.8
317.06659	12.5
318.07181	2.3
325.05515	2.1
335.07681	0.9
469.15872	3.2
487.08600	13.1
487.14859	1.5
488.08987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77471	0.7
59.01387	11.6
69.03456	13.1
69.26491	4.7
69.26917	2.9
71.01373	3.9
73.00790	0.9
78.95883	1.2
79.95736	3.2
87.87472	0.8
89.02452	4.2
93.03502	0.9
95.05039	4.0
96.96013	100.0
98.20602	1.9
101.02421	1.7
113.02454	2.8
114.93344	1.3
116.92873	4.7
119.03513	1.5
121.03014	0.9
121.06590	7.1
123.04483	1.4
125.02456	1.5
135.04520	1.1
161.02469	1.0
165.05582	2.6
169.01318	1.0
179.03517	1.1
183.06598	1.7
191.05588	6.8
209.04506	1.8
345.11801	4.1
353.88269	0.8
389.10904	26.9
390.11221	2.0
461.64780	1.0
487.34399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02733	0.9
54.09721	0.8
58.93538	0.9
59.01378	11.9
62.82442	0.8
67.01894	1.0
69.03455	11.9
71.01381	3.7
72.99300	0.9
78.95870	0.9
79.95736	2.7
85.02955	1.7
89.02460	4.0
95.05034	3.3
96.96009	100.0
101.02441	2.7
102.22418	0.8
113.02450	1.6
114.93378	1.5
119.03558	1.5
121.06588	6.4
122.69904	0.9
125.02490	1.1
133.02959	1.0
139.00351	2.0
161.02434	2.5
165.05624	1.4
167.23289	1.0
191.05600	8.0
207.01230	1.0
209.04475	1.6
213.00000	0.8
216.97508	0.9
217.45583	0.8
282.15875	1.2
324.65378	0.9
345.11957	3.7
389.10864	24.0
390.11191	1.5
451.67377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03137	0.9
59.01367	1.5
59.91990	0.9
59.94308	0.9
61.33963	1.0
61.98828	100.0
70.37894	3.8
70.58448	1.0
89.46142	1.0
96.70503	1.0
105.92994	0.9
122.40823	0.9
125.14920	1.0
148.56061	1.1
150.29588	1.0
155.57089	1.0
173.98529	1.2
197.45613	1.1
202.60713	1.1
205.01596	1.0
226.61890	1.1
297.56262	1.2
356.26764	1.3
424.29068	4.8
439.32361	1.7
440.32361	9.8
442.29926	2.1
485.32584	7.4
486.33078	74.1
487.34338	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54358	0.4
70.37400	1.9
70.54854	0.5
72.18533	0.5
78.95911	3.1
88.04037	57.1
89.04366	1.0
95.95892	0.5
106.68775	0.4
110.38292	0.5
147.08156	1.7
149.09668	1.8
152.99529	1.1
161.09688	1.0
163.11269	3.3
173.04622	0.5
183.13792	0.5
187.11238	2.3
191.05571	2.3
195.76569	0.6
222.60596	0.5
239.17691	0.5
248.54320	0.6
255.23215	1.7
265.12161	0.7
277.48334	0.6
280.14783	1.4
307.16919	1.1
309.22260	2.7
322.19144	0.6
337.21716	100.0
338.22052	10.3
382.27246	0.9
428.26208	0.6
486.26978	10.4
487.26984	1.3
487.34207	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	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80019	0.3
64.75020	0.3
67.92776	0.3
69.93792	0.5
69.94193	1.5
71.50007	0.3
78.91493	0.3
79.08936	0.3
86.27363	0.3
99.88850	0.3
103.78960	0.4
379.29877	0.4
409.31161	0.6
437.30463	2.0
438.31064	0.5
448.12543	0.3
455.31653	18.1
456.32001	2.2
467.31787	0.8
485.32736	100.0
486.33066	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	485.3269
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
51.22341	0.3
56.14982	0.3
58.17316	0.2
71.16702	0.4
77.03426	0.3
84.73365	0.3
104.44038	0.3
116.99016	0.3
123.43324	0.3
173.09549	0.3
173.50681	0.2
189.12897	0.8
219.42299	0.4
355.26328	1.0
377.28427	0.8
379.29950	0.4
393.31485	0.4
395.33075	0.3
413.33951	0.6
423.28156	9.4
423.33234	3.3
424.28665	1.5
425.30707	0.5
437.30463	1.6
439.32129	20.0
440.32507	2.7
441.33698	6.1
442.34018	1.1
455.31323	0.8
467.31601	1.5
483.30972	1.0
485.32697	100.0
486.33032	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	485.3272
Annotation	Celastolide
Peak:m/z	Relative Intensity
59.01368	0.5
61.98830	0.8
71.05023	0.5
78.95921	0.5
87.00854	0.6
91.84518	0.4
93.03468	1.2
111.41431	0.4
191.05591	1.3
365.47964	0.6
395.33322	4.0
396.33676	0.5
413.33649	0.5
421.30750	0.5
423.32477	1.4
439.32129	3.4
440.32391	0.6
441.33719	19.6
442.34207	2.8
451.32382	1.2
485.32703	100.0
486.33099	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	485.3632
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
52.73022	0.5
71.05038	1.1
78.95906	1.1
91.36257	0.5
97.06583	7.2
98.20757	0.8
98.85998	0.5
131.47726	0.5
137.09718	0.6
152.99617	0.6
191.14366	0.5
238.67233	0.5
249.55231	0.5
255.23285	2.0
256.23584	1.3
257.23837	2.0
312.00250	0.6
374.25931	0.6
389.28549	3.1
391.29984	3.7
405.31586	7.9
406.32019	1.1
407.33151	9.7
407.83945	0.5
408.33618	1.7
423.28705	1.0
437.30435	0.9
439.32196	1.7
441.28024	0.9
441.33710	10.6
442.33865	1.5
451.32147	36.0
452.32443	5.0
453.33710	100.0
454.33987	16.7
471.34863	4.1
485.27567	0.9
485.36682	13.5
486.36603	1.9
497.32697	9.8
498.32965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65011	1.4
56.79859	1.4
59.01380	17.0
61.98829	100.0
64.84871	1.7
69.03469	1.9
71.01381	6.9
71.53709	2.4
72.83066	1.6
73.02958	1.7
73.72784	1.6
78.95907	4.0
80.66443	1.6
85.02954	4.8
87.00899	2.9
89.02449	6.7
93.03472	3.7
93.33728	1.7
101.02449	4.5
111.04473	2.1
113.02467	2.6
116.92830	7.8
119.03475	2.0
125.02533	2.2
130.08739	24.5
133.02939	16.9
135.04498	6.1
136.04774	1.7
149.04526	1.6
161.02428	65.7
162.02899	1.9
173.04539	2.9
179.03511	3.2
191.05609	15.1
192.05870	1.9
209.10159	1.8
209.11778	9.5
289.17963	2.0
307.19113	14.4
325.20013	8.4
384.64227	1.7
423.16571	58.0
424.16800	5.5
431.68781	1.8
448.22623	7.9
486.20593	3.0
486.26904	18.6
487.25858	6.9
487.34378	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	485.3269
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
66.46960	0.2
69.70390	1.1
98.20660	0.3
123.65955	0.2
153.18980	0.2
363.26822	0.5
375.26395	0.3
379.30020	0.7
409.31238	1.2
410.31015	0.2
437.30585	3.0
455.31619	68.9
456.31940	10.4
485.32727	100.0
486.33060	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	485.327
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
53.23684	0.3
61.98833	4.4
70.00063	0.8
70.00456	0.7
176.46346	0.4
355.26468	2.2
407.25931	0.6
423.28607	7.9
423.33698	0.6
424.29333	1.0
439.32138	14.1
440.32590	2.0
441.34665	2.3
467.31607	1.2
483.31235	1.3
485.32706	100.0
486.33081	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34570	0.3
60.99290	0.8
65.08953	0.2
71.30132	0.6
161.01125	0.3
216.33820	0.3
316.94934	0.3
341.24734	0.3
377.28574	0.7
393.31653	1.2
409.31158	0.8
423.32687	0.9
437.30573	3.6
438.30856	0.5
455.31662	9.1
456.31851	1.2
467.31680	0.7
485.32709	100.0
486.33057	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	485.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97523	0.2
59.01374	0.8
61.98825	1.0
69.16209	2.2
71.01379	0.5
73.99422	0.2
79.15610	0.2
81.03461	0.5
81.93307	0.2
85.02962	0.3
89.02445	0.3
89.03960	2.1
93.03454	1.4
95.05119	0.2
95.62222	0.2
104.02713	0.5
104.32288	0.2
105.03459	3.8
109.02929	0.2
113.06110	0.3
119.05032	1.5
125.02441	0.3
133.02953	8.4
134.03268	0.4
135.04533	0.4
137.02434	0.7
145.02939	0.7
148.01718	0.6
149.02399	1.1
159.08368	0.2
161.02467	0.3
163.03966	1.8
165.01886	0.2
173.04573	1.6
176.01155	1.0
177.01918	100.0
178.02257	4.6
179.03618	0.2
191.05598	2.1
300.02771	0.2
301.03436	0.4
339.07184	6.4
340.07657	0.5
447.09259	0.4
467.15533	1.0
485.10800	9.1
485.16733	0.6
486.11227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1965
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
59.01383	21.7
61.98829	100.0
71.01373	12.1
78.95875	3.0
85.02943	7.4
89.02406	5.1
93.03461	16.1
96.96036	4.0
97.71091	2.9
101.02431	7.9
113.02448	4.0
114.93382	3.1
119.03432	3.3
124.01635	3.3
125.02399	6.5
127.04073	3.7
131.03452	3.6
133.02945	7.4
135.04475	5.6
137.02425	6.1
140.01118	3.6
161.02428	16.4
162.02684	4.9
168.00536	4.2
169.01402	7.1
171.10303	4.6
173.04515	12.8
191.05598	46.0
197.16783	3.3
203.10692	7.7
229.70897	2.9
231.10255	6.3
263.61169	3.1
275.09290	7.6
291.18045	4.0
293.04547	3.5
293.18741	5.1
296.91071	2.9
307.15402	4.1
315.66263	3.0
420.64233	3.1
425.22623	4.1
447.09399	2.8
449.14575	6.3
467.15628	3.9
485.20139	45.7
485.30789	5.3
486.20868	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	485.3271
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
54.11018	0.4
56.58534	0.3
59.01362	0.4
61.57927	0.3
69.22534	3.0
96.91643	0.3
103.74464	0.3
118.39247	0.3
124.88277	0.3
191.05640	0.4
215.84972	0.3
250.26816	0.3
254.94992	0.3
319.30969	0.3
337.25241	0.7
393.27621	0.4
395.29602	0.5
411.32687	1.3
439.32019	1.0
441.33826	0.8
442.33911	0.5
455.31622	6.5
456.31949	0.9
485.32715	100.0
486.33096	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27568	0.3
61.76963	0.3
71.29111	0.3
78.95901	7.2
92.48308	0.3
96.96970	0.4
116.04135	0.3
128.40834	0.3
132.02991	0.3
152.99583	13.3
171.00642	1.1
175.17635	0.4
227.03242	3.0
245.04222	1.2
246.92581	0.3
255.23274	100.0
256.23627	7.2
434.01904	0.3
483.27267	23.2
484.27451	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44548	0.5
69.76039	1.2
69.76459	1.7
76.84385	0.5
78.95899	17.6
96.96947	1.3
98.19958	0.7
134.98453	0.5
152.99576	28.6
171.00621	1.5
227.03294	4.5
237.22424	0.7
245.04349	1.2
255.23268	100.0
256.23581	7.5
273.85269	0.6
391.22495	1.1
483.27258	51.4
484.27496	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	484.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36124	3.2
55.62099	3.4
55.77829	3.3
57.47871	3.8
57.91820	3.6
59.09281	3.4
60.76794	3.2
61.98827	100.0
71.52279	5.4
80.96539	3.9
88.33824	3.8
93.03462	6.2
95.36654	3.6
139.62448	3.5
149.55913	3.5
150.39847	3.5
191.05650	18.8
246.26645	3.7
252.86076	4.3
270.30884	4.0
388.28702	3.7
455.31552	4.3
484.31622	5.1
485.32724	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73517	0.3
57.03450	1.9
59.01368	0.6
61.98821	0.8
67.01897	3.1
79.11595	0.3
85.02945	0.6
87.00876	5.6
88.84811	0.3
111.00881	100.0
112.01221	2.6
112.98779	0.3
124.11716	0.3
154.99805	0.3
173.00908	5.1
191.05637	0.5
309.20648	1.1
357.22629	0.4
447.09192	0.4
483.26181	0.9
487.57300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01392	1.4
61.98805	0.3
62.14515	0.2
67.01894	0.4
69.03452	0.5
69.85784	1.1
70.03010	0.3
71.01371	1.0
73.02940	0.3
81.03437	0.5
83.05024	0.8
85.02948	10.2
87.00864	2.2
89.02432	0.3
93.03450	4.4
99.00824	0.2
99.04533	0.6
109.02936	1.3
111.00879	0.8
111.04517	1.1
125.02448	0.3
125.06004	0.3
127.04012	2.3
133.41423	0.2
136.72151	0.3
137.02388	0.3
143.07057	0.4
152.44521	0.3
155.03554	0.3
161.16273	0.3
165.12848	0.5
167.14352	0.3
171.02968	0.6
173.00978	0.4
173.04541	1.4
181.12323	0.4
191.05602	100.0
192.05942	3.2
240.13654	0.3
247.20636	0.7
291.19635	3.4
292.20123	0.3
309.20694	19.9
310.21124	1.9
465.25015	0.4
483.25687	2.5
495.25592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92812	3.4
58.93097	3.9
59.01379	52.1
61.98815	17.2
71.01384	63.7
72.99304	24.1
73.02954	7.7
75.00874	9.2
82.55126	3.2
83.01381	8.1
85.02959	9.4
85.07348	3.7
85.29967	3.6
87.00882	7.7
89.01915	6.4
89.02444	49.2
93.03471	6.7
96.96008	4.4
99.00890	14.4
101.02436	28.6
111.00878	6.0
112.85564	3.9
112.98827	27.1
113.02441	21.2
115.00369	5.9
119.03490	14.1
125.02462	6.5
125.06100	4.7
135.02985	16.5
135.04553	4.0
135.93970	3.5
137.02405	4.1
141.09254	3.7
142.99855	47.5
156.00685	6.7
161.02400	6.3
161.04546	11.2
173.00909	30.9
173.04543	5.8
174.01689	100.0
175.02434	12.2
175.65427	3.5
179.05634	3.6
181.54665	4.3
185.11879	4.7
187.61745	3.7
191.05663	23.9
193.12242	3.8
195.13882	3.9
197.11841	4.9
223.13441	5.5
225.11429	3.5
231.13805	4.0
237.11299	10.8
239.12881	4.5
251.12729	4.8
254.99242	4.8
279.12454	4.3
291.19656	13.7
300.02832	3.5
309.20694	99.6
310.20993	8.5
321.20679	11.1
335.22244	4.9
347.18619	6.3
361.20398	5.0
365.19754	18.8
395.20197	6.0
405.19061	10.6
439.13199	3.7
447.09424	7.5
465.21201	18.0
483.22733	7.2
483.30984	4.1
498.16473	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	483.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53048	0.2
54.15415	0.2
57.03450	2.0
59.01372	0.5
61.98820	0.4
67.01570	0.3
67.01892	3.4
71.09342	0.3
75.00859	0.6
83.01408	0.2
85.02947	0.6
87.00874	5.9
87.01392	0.5
88.14533	0.2
111.00878	100.0
112.01212	2.4
112.98814	0.3
119.78129	0.3
123.34340	0.2
135.02963	0.6
142.99950	0.2
154.99779	0.5
173.00882	6.4
174.01224	0.3
191.05624	0.5
291.19662	0.3
293.21338	1.8
300.02646	0.4
301.03497	0.2
309.20663	1.0
453.29868	0.3
483.26065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.3
59.01369	28.2
69.57291	21.0
71.01384	61.9
72.99306	15.8
73.02953	13.0
75.00868	7.5
83.01402	10.4
85.02959	27.0
87.00890	6.7
89.02455	17.5
98.20641	5.3
99.00885	14.9
101.02466	34.0
112.28374	3.9
112.32397	3.7
112.98830	26.4
113.02447	21.7
114.35983	4.0
115.00375	8.8
119.03497	6.1
119.47584	3.5
135.03018	14.2
139.74353	3.8
142.99847	59.1
159.03014	5.9
160.16913	4.2
161.04527	24.6
162.20503	3.8
173.00818	21.2
174.01680	100.0
175.02428	11.2
191.05626	7.3
193.12495	4.3
212.04851	3.8
237.11253	6.6
257.61337	4.6
279.12265	4.9
291.19647	15.8
309.20706	75.3
310.21112	4.6
321.20718	8.3
325.71487	4.6
365.19473	7.2
405.19009	5.4
465.21216	16.0
483.22546	5.1
483.29703	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60770	8.4
60.92859	8.7
71.01373	24.4
71.01840	13.9
71.02200	12.2
79.54521	10.3
89.02465	15.4
93.03463	12.7
98.30844	9.4
101.02452	16.6
113.02448	10.7
117.46099	8.8
147.56261	9.3
154.36520	8.6
161.04547	11.3
168.69626	9.3
172.07448	10.9
429.70654	9.8
447.22278	100.0
451.14841	11.4
464.60526	9.7
483.20132	49.9
483.67548	9.1
497.15302	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	483.0778
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01364	1.5
68.86824	0.9
69.03443	1.2
71.01359	2.0
71.09640	0.9
76.11132	0.9
81.03465	1.0
81.12688	1.0
85.02940	2.8
93.03458	1.6
95.01351	1.3
97.02928	1.9
107.01366	6.5
111.04489	1.1
123.00879	9.4
124.01660	18.9
125.02438	74.4
125.94297	1.0
126.02788	3.0
136.98781	1.2
137.02449	2.4
137.74553	0.9
139.00323	2.3
141.01884	1.2
149.99582	29.3
151.00372	6.1
153.20433	0.9
161.02350	1.4
167.03505	1.6
168.00629	70.3
169.01421	30.5
170.01732	1.4
173.04425	1.6
174.03227	1.0
191.03941	0.8
191.05598	19.2
193.01370	1.4
193.98561	2.2
194.99284	3.1
203.07129	1.5
211.02403	2.7
271.04556	1.4
272.70541	1.1
287.07748	1.3
313.05603	12.5
331.06674	69.2
332.06931	4.2
439.08755	10.0
465.06921	1.6
483.07715	100.0
484.08136	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	483.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98826	4.6
63.71675	0.6
71.01395	4.6
71.53583	0.7
71.53958	0.9
73.02924	1.1
78.78826	0.8
78.95898	1.5
81.03434	0.9
83.01376	1.2
83.05042	0.9
85.02951	2.2
86.85478	0.7
89.02454	2.5
93.03451	5.1
96.95988	1.0
101.02412	1.9
103.05534	1.9
106.84251	0.7
111.04510	1.6
113.02424	1.6
119.05067	1.2
123.04498	1.4
125.02412	1.2
127.03983	1.1
129.01917	0.8
133.02972	2.1
135.04480	3.7
137.02455	1.2
145.10484	0.7
147.04514	100.0
148.04842	3.7
153.05511	1.1
155.03471	3.1
161.02440	7.0
161.04594	1.3
173.04527	9.8
174.01640	0.9
179.03499	2.8
191.05557	4.9
216.87038	0.7
226.10750	0.8
280.34836	0.7
288.27844	0.8
300.02646	1.1
301.03610	1.0
321.09793	28.8
321.13596	1.4
322.10107	2.4
331.11725	1.7
335.07846	0.9
447.09195	2.6
483.21649	2.7
483.29816	2.6
489.45428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52745	3.9
69.27631	37.3
71.12350	4.6
97.76907	4.2
124.73749	4.4
151.00258	9.3
161.18100	5.2
178.99934	4.5
191.05595	7.4
211.96613	3.7
218.63141	4.4
243.02982	6.3
255.02995	25.6
271.02423	37.7
272.03000	4.8
287.23410	4.4
300.02731	84.7
301.03488	50.3
353.40579	5.3
447.09250	100.0
448.09677	11.8
458.98703	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	483.0773
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.82397	0.5
57.03414	0.7
59.01376	1.4
60.31983	0.4
61.25154	0.5
67.01870	1.0
69.03459	1.8
71.01385	3.3
71.23720	1.0
73.02938	0.6
76.24057	0.5
79.01893	1.1
81.03426	0.6
83.01371	0.8
85.02938	4.0
89.02408	1.0
93.03508	0.5
93.42801	0.5
95.01398	1.9
96.96000	1.1
97.02951	2.0
101.02438	2.4
107.01384	8.7
111.00870	1.3
113.02438	6.5
113.03163	0.8
123.00888	5.9
124.01688	0.9
125.02439	81.8
126.02788	2.3
128.90167	2.2
139.00372	2.6
140.01106	1.4
141.01921	0.8
151.00372	5.2
167.03407	0.5
168.00597	2.8
169.01411	100.0
170.01755	4.3
179.03514	1.1
191.05600	2.2
193.01399	1.6
211.02463	7.5
223.02394	0.7
241.03566	1.0
265.10767	0.5
271.04553	3.6
271.07138	0.5
287.07761	1.1
309.09473	0.6
313.05652	10.9
331.06683	20.6
332.06818	1.2
439.08716	1.7
483.07748	66.7
484.08142	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38096	0.9
78.95901	66.0
96.96947	6.3
107.82486	1.1
124.09511	1.0
144.57504	1.2
150.97989	2.0
152.99579	98.1
153.99948	2.3
171.00638	16.0
191.05534	1.5
226.96454	1.1
227.03381	8.4
245.04292	78.9
246.04573	3.1
253.21712	53.7
254.21996	4.7
255.23360	1.2
309.20804	2.0
357.80444	1.1
479.45544	1.2
481.25653	100.0
482.26093	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	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83884	2.0
75.17800	0.9
77.96253	1.0
78.95898	39.0
85.88359	0.8
93.92859	0.9
96.96975	2.9
97.80598	0.9
114.50713	1.0
121.16665	0.9
152.99580	62.1
160.46719	1.0
171.00632	17.5
172.88434	0.9
183.33223	1.0
227.03220	3.6
233.45216	1.0
245.04292	100.0
246.04678	3.4
253.21703	64.5
254.22089	4.1
428.80386	1.1
481.25687	39.1
482.26141	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	482.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93898	0.6
57.03431	0.6
59.01378	11.1
60.99294	1.0
61.98825	17.0
63.99287	0.8
67.01890	2.0
69.03459	1.8
69.58669	4.1
71.01383	5.4
72.99284	0.6
73.02961	0.9
79.48099	0.5
81.03456	1.0
83.01405	0.5
83.05003	0.7
85.02950	9.7
87.00884	3.2
89.02452	3.7
93.03457	13.8
94.03799	2.5
95.01395	1.5
97.02938	1.5
101.02454	3.9
105.03517	0.8
107.01375	6.8
108.02207	1.4
109.02960	2.1
111.00917	0.6
111.04536	2.7
113.02444	2.5
117.03420	0.7
119.03485	2.3
123.00895	2.7
123.04486	1.4
124.01601	0.6
125.02444	34.3
126.02798	1.3
127.04024	2.2
132.02153	1.9
133.02959	29.6
134.03226	5.9
135.04532	6.1
136.04854	1.2
137.02446	1.6
139.00389	1.3
139.07649	3.0
140.01149	0.7
140.07999	0.8
140.30298	0.5
145.02960	1.3
151.00356	1.2
153.05547	1.3
155.03494	0.7
159.04547	1.4
160.01656	0.8
161.02438	100.0
162.02771	32.3
163.00385	0.7
163.02866	0.8
168.00647	0.7
169.01418	44.5
170.01721	3.2
171.02979	0.7
173.04546	5.6
174.03287	1.0
174.04924	0.7
177.01932	1.1
178.02701	1.1
179.03494	2.0
187.00424	1.2
187.04004	1.7
188.01044	0.8
188.04523	0.7
189.01897	1.2
191.05605	85.5
192.05945	15.4
193.06152	0.9
201.01927	0.9
203.10793	1.4
213.09277	1.4
214.09499	1.1
214.99904	1.0
216.00571	0.9
217.01436	1.3
229.01424	2.1
230.99315	2.0
231.10191	2.7
232.10623	1.9
247.02434	0.9
257.08151	2.9
258.08484	2.4
259.99500	1.7
263.12653	0.6
271.02472	1.1
275.01981	1.6
275.09012	0.8
276.09494	0.9
277.03421	1.0
286.98291	1.4
300.02527	0.8
301.03433	0.8
303.01373	2.5
319.13956	11.5
320.14395	7.8
321.02539	0.8
329.12595	0.6
330.03085	1.0
347.00458	1.8
406.03555	2.9
406.53583	1.3
432.13522	1.3
447.08978	1.2
481.17139	22.8
482.17462	36.2
483.17636	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64570	0.8
55.43727	0.9
57.03444	1.1
59.01373	2.1
59.53505	0.7
60.08859	0.6
60.99298	6.1
67.01884	14.5
69.03452	4.6
69.46491	2.8
69.46915	3.0
71.01381	2.8
73.02938	0.9
81.03449	3.5
83.05019	1.8
85.02947	1.2
87.00874	19.6
93.03455	100.0
94.03797	3.2
95.64687	0.7
99.00883	2.3
99.04510	1.8
108.16473	0.7
109.02937	2.0
111.04517	15.2
113.02448	1.6
129.01959	2.6
133.02940	2.9
134.03755	9.1
135.04544	2.6
137.02448	2.1
143.03537	1.0
155.03485	3.4
173.04536	56.8
174.04926	2.4
177.01920	1.7
177.88719	1.1
178.02682	8.8
179.03523	0.8
191.05629	1.9
226.66051	0.8
279.36823	0.8
351.07397	1.0
352.07874	1.4
449.14496	46.4
450.14777	5.4
481.17075	19.8
482.17621	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01379	1.7
60.99304	6.4
61.98830	3.2
65.03960	0.6
67.01891	12.9
68.02209	0.4
69.03455	4.4
69.30735	2.9
71.01381	4.5
71.05016	0.4
73.02938	0.4
81.03462	3.2
83.05020	2.3
85.02949	0.5
87.00420	0.2
87.00874	18.0
93.03458	100.0
94.03783	2.2
99.00883	2.2
99.04504	2.2
101.32476	0.4
109.02967	0.8
111.04525	12.9
112.04865	0.6
113.02449	1.9
115.01318	0.4
115.04021	1.1
129.01956	2.5
133.02962	2.6
134.03749	9.2
135.04536	4.3
136.07054	0.3
137.02461	2.2
143.03502	1.0
151.04115	0.5
153.01842	0.4
155.03491	3.6
161.02495	0.5
162.03297	0.7
173.04547	53.1
174.04889	2.1
177.01930	1.4
178.02715	8.8
179.03424	1.5
184.18892	0.4
191.05643	2.6
275.09195	0.6
307.11795	0.6
308.08984	0.8
351.07031	0.8
352.07968	1.4
353.08795	0.5
418.71893	0.4
441.83414	0.4
449.14496	35.0
450.14926	3.1
460.98764	0.4
471.81207	0.4
481.17062	24.2
482.17188	2.3
508.31760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14685	0.3
53.55231	0.2
59.01375	1.1
61.53981	0.3
65.76080	0.2
67.01875	0.6
69.03482	0.3
69.45953	1.6
69.46374	0.5
71.01375	1.0
71.01729	0.3
81.03457	0.3
85.02946	7.8
87.00883	1.9
93.03455	5.1
99.00835	0.3
109.02960	0.9
111.04521	1.0
124.01588	0.3
127.04022	2.2
137.02438	0.5
171.02985	0.5
172.05325	0.3
173.04512	1.7
187.04080	1.4
187.07600	2.0
189.03172	0.3
191.05603	100.0
192.05959	2.9
202.06348	2.5
203.07019	0.6
213.09178	1.1
215.07060	1.3
227.06866	0.3
231.10255	1.3
245.11850	0.3
247.09685	0.4
257.08221	1.5
263.12805	0.3
275.09299	1.1
289.10727	1.9
307.11874	0.9
435.26849	0.3
449.14539	4.4
450.14853	0.7
481.10355	0.3
481.17090	1.2
497.01868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82234	0.4
57.03428	0.8
59.01371	0.5
61.98828	1.9
67.76408	0.4
68.83421	0.4
69.03455	1.1
71.01005	0.9
71.01383	2.8
73.02935	1.0
81.03439	1.5
83.01386	0.6
85.02946	3.7
85.67802	0.4
93.03461	0.7
95.01372	1.6
101.02449	1.4
108.02171	67.2
109.02956	46.9
110.03286	1.3
113.02441	1.7
113.06046	0.4
121.02939	0.5
123.00893	1.7
135.00873	0.7
139.11282	1.6
139.65157	0.4
151.03946	0.8
152.01146	60.4
153.01949	16.8
161.04549	0.8
163.04053	0.9
165.01929	1.4
173.04556	0.7
183.10272	2.3
191.05612	1.8
195.02931	0.4
205.87234	0.4
315.07303	2.1
320.78983	0.4
481.17123	100.0
482.17426	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16370	0.6
57.03446	1.7
59.01366	2.0
60.99309	4.1
61.98813	0.7
63.05316	0.5
67.01891	16.0
69.03453	4.3
69.44210	4.2
69.44618	1.2
71.01379	4.5
71.51717	0.5
73.02967	1.1
74.75467	0.6
81.03468	3.1
83.05020	2.4
85.02960	1.9
87.00332	1.2
87.00872	21.6
93.03457	100.0
94.03799	1.9
97.02898	0.7
97.06586	0.6
98.19893	0.8
99.00880	2.2
99.04528	1.7
109.02940	1.8
111.04518	14.4
112.04857	0.7
113.02448	1.8
115.03999	1.6
126.22106	0.6
127.98682	0.6
129.01938	2.3
133.02927	1.4
134.03734	20.3
135.04527	2.1
137.02444	1.1
143.03479	0.9
155.03526	2.8
158.87604	0.6
159.04572	0.6
173.04538	63.8
174.04863	1.7
177.01906	0.9
178.02679	3.3
188.04669	0.6
191.05611	17.7
203.10764	0.7
231.10275	1.6
275.09326	0.7
289.10764	0.7
307.11804	3.5
449.14423	11.0
450.15140	1.7
481.17123	42.4
482.17496	6.1
493.02567	0.6
494.06793	0.6
503.68039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36059	0.4
53.44905	0.3
59.01371	1.0
61.98828	100.0
69.77489	1.9
71.01389	0.7
78.95920	0.7
85.02940	0.4
87.00880	0.5
93.03464	2.5
108.67399	0.4
111.04550	0.7
113.94110	0.3
117.21902	0.3
133.02977	0.7
134.03825	0.4
135.04532	0.5
137.02557	0.4
153.01907	0.4
154.46411	0.4
154.86491	0.3
160.01743	0.5
161.02440	1.8
173.04578	1.2
177.02048	0.3
191.05595	6.4
192.06027	0.3
288.09579	0.4
288.30270	0.4
352.67926	0.4
449.14706	1.3
481.16382	0.6
481.22018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37000	0.5
54.57079	0.5
55.01875	2.0
56.05120	0.7
59.01373	0.7
69.03458	0.9
70.35448	1.4
71.01382	0.9
71.05016	8.6
74.93135	0.5
83.01385	0.9
85.02972	1.5
87.00889	0.9
92.13154	0.5
93.03466	4.7
95.05022	23.2
96.95980	0.9
97.02950	30.3
98.53369	0.6
108.02168	2.3
109.02946	51.6
110.03288	1.1
111.04527	1.3
115.04026	4.6
119.05039	8.1
121.02956	2.2
125.02480	1.0
131.07153	0.9
135.04521	1.0
137.02448	8.2
139.04004	69.2
140.04347	1.9
152.01180	1.8
153.01926	100.0
154.02267	2.6
155.03471	2.4
159.04507	0.6
163.03993	7.2
165.01918	40.3
166.02251	2.1
169.01341	1.0
173.04553	0.9
179.03467	0.7
183.02971	77.9
184.03339	3.2
191.05600	12.7
213.01782	0.6
231.02788	0.7
245.08183	0.8
271.06024	1.8
275.05563	1.5
280.95773	0.6
301.03391	1.0
313.04825	0.5
315.07190	54.6
316.07474	3.0
319.04611	1.9
319.08194	5.8
320.04962	0.6
437.10907	0.8
463.12338	0.8
481.09314	8.3
482.12671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
61.98829	40.7
62.53437	0.4
67.01896	0.5
69.78887	1.4
69.93936	0.3
71.01377	4.7
73.02966	0.5
73.91643	0.3
81.03439	0.4
82.44279	0.3
83.01390	0.5
83.05057	0.4
83.99962	0.3
84.24856	0.3
85.02953	3.5
87.00862	1.0
89.02447	3.9
93.03468	3.2
95.01401	0.6
98.20606	0.4
101.02448	3.4
108.02189	1.9
109.02966	1.6
110.06135	0.3
111.04522	0.8
113.02441	2.2
117.03486	0.4
119.03491	1.5
119.04958	0.4
123.04510	0.8
125.02460	0.4
127.03999	0.8
131.03487	0.4
132.02155	1.5
133.02953	24.3
134.03711	0.9
134.82950	0.3
135.04535	4.4
137.02423	0.9
139.07646	3.1
149.02486	0.3
151.00334	0.3
151.71201	0.3
152.01208	2.1
153.01894	1.1
153.05586	0.7
161.02438	100.0
163.04077	0.5
173.04576	2.0
177.01874	0.4
178.02556	0.4
179.03464	2.1
184.17651	0.3
191.05606	27.4
192.05859	0.5
195.18021	0.4
213.09264	0.6
231.10289	1.5
257.08081	1.6
275.09256	0.6
297.03830	0.4
300.99930	0.5
319.13956	14.4
360.20831	0.6
367.27185	0.4
405.02393	0.4
421.20590	0.5
431.13461	0.6
436.22855	0.5
448.15521	0.4
449.14688	0.4
456.54721	0.3
480.30927	0.4
481.17136	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	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71221	0.5
51.66560	0.6
59.01373	0.5
60.17007	0.4
61.98830	100.0
67.01889	0.9
69.23684	3.1
69.24095	1.5
71.01386	0.6
78.37193	0.4
83.05021	0.5
85.02976	0.7
87.00890	1.9
93.03462	9.8
93.04028	0.7
109.03017	0.7
111.04539	1.4
118.87435	0.6
129.02023	0.5
134.03740	1.4
135.04602	0.5
140.89868	0.5
142.90111	0.5
161.02475	0.6
173.04515	5.6
191.05615	8.5
282.86780	0.5
449.14737	1.1
481.17047	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	479.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13416	0.8
55.01872	6.7
57.03449	6.7
58.00593	3.4
59.01381	75.1
60.01718	1.5
61.98834	1.0
69.03472	1.9
71.01380	100.0
71.53677	1.2
72.01712	1.9
72.99303	6.8
73.02945	28.3
75.00871	2.0
83.01388	20.5
85.02950	39.5
86.00105	2.8
87.00891	5.7
89.02442	49.6
90.02786	1.0
95.01371	4.6
97.02938	3.9
99.00886	12.1
101.02442	89.6
102.02733	1.5
111.00876	7.9
113.02446	24.8
115.04002	2.3
119.03487	2.1
125.02444	6.2
129.01959	2.2
131.03499	35.8
132.03905	1.0
140.21953	0.9
143.03481	5.1
149.04527	12.0
152.99623	1.0
159.02979	4.4
161.04555	19.9
191.05606	3.8
203.89494	0.9
215.05576	1.8
233.06638	5.7
234.06993	1.0
297.68530	0.9
303.04013	1.0
347.24371	92.9
348.24731	6.0
380.84772	1.0
391.23639	1.2
444.28436	0.9
479.28595	60.5
480.29010	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	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16839	0.7
57.26963	0.7
57.88720	0.7
57.95387	0.6
59.01358	0.7
61.98829	100.0
71.01421	0.8
71.52534	0.7
78.95898	5.0
81.90721	0.6
88.24373	0.6
93.03461	0.8
100.04104	0.9
124.01642	1.0
125.02479	2.1
135.04547	1.8
144.03056	1.0
149.99583	0.9
152.99614	2.0
168.00685	1.9
191.05673	2.3
209.11826	0.6
268.47998	0.6
295.55957	0.6
306.20926	0.7
433.52213	0.7
480.19714	0.9
481.17273	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	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.7
61.98829	40.7
62.53437	0.4
67.01896	0.5
69.78887	1.4
69.93936	0.3
71.01377	4.7
73.02966	0.5
73.91643	0.3
81.03439	0.4
82.44279	0.3
83.01390	0.5
83.05057	0.4
83.99962	0.3
84.24856	0.3
85.02953	3.5
87.00862	1.0
89.02447	3.9
93.03468	3.2
95.01401	0.6
98.20606	0.4
101.02448	3.4
108.02189	1.9
109.02966	1.6
110.06135	0.3
111.04522	0.8
113.02441	2.2
117.03486	0.4
119.03491	1.5
119.04958	0.4
123.04510	0.8
125.02460	0.4
127.03999	0.8
131.03487	0.4
132.02155	1.5
133.02953	24.3
134.03711	0.9
134.82950	0.3
135.04535	4.4
137.02423	0.9
139.07646	3.1
149.02486	0.3
151.00334	0.3
151.71201	0.3
152.01208	2.1
153.01894	1.1
153.05586	0.7
161.02438	100.0
163.04077	0.5
173.04576	2.0
177.01874	0.4
178.02556	0.4
179.03464	2.1
184.17651	0.3
191.05606	27.4
192.05859	0.5
195.18021	0.4
213.09264	0.6
231.10289	1.5
257.08081	1.6
275.09256	0.6
297.03830	0.4
300.99930	0.5
319.13956	14.4
360.20831	0.6
367.27185	0.4
405.02393	0.4
421.20590	0.5
431.13461	0.6
436.22855	0.5
448.15521	0.4
449.14688	0.4
456.54721	0.3
480.30927	0.4
481.17136	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	479.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43613	2.9
59.01373	12.3
60.99306	17.1
65.45524	2.9
69.03452	9.1
71.01393	4.0
71.53911	4.8
72.78467	2.7
79.11729	2.5
85.45747	2.8
88.98805	100.0
88.99358	5.7
89.02459	4.2
96.96008	32.4
109.02950	2.9
120.99660	30.3
121.06573	2.7
142.23657	3.4
191.05536	6.7
209.25011	2.9
209.74290	3.2
330.81616	3.0
389.10907	19.5
399.11066	4.8
458.74557	2.9
479.06702	15.2
501.47226	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	479.1557
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
57.21035	0.4
58.00591	0.5
59.01376	20.1
61.98829	6.7
69.44752	0.3
69.57982	2.2
71.01379	12.6
71.01785	0.7
72.99316	0.8
73.02956	0.5
76.01772	0.4
83.01382	0.8
85.02950	3.0
87.00875	3.4
89.02443	10.6
95.01372	0.6
95.05018	0.4
101.02438	5.5
101.42056	0.4
105.77892	0.4
107.05005	4.3
113.02439	4.5
119.03490	3.9
121.02950	100.0
122.03280	3.3
131.03528	0.4
133.06613	0.5
149.06061	0.8
151.07608	2.9
161.02519	0.5
161.04477	0.5
177.05557	2.0
179.05547	1.0
191.05573	0.8
195.06647	1.7
255.10223	4.2
255.12531	0.5
273.11325	8.2
274.11520	0.8
317.10263	27.5
318.10614	2.5
357.11905	1.7
479.15488	6.5
480.15735	0.8
498.35007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
61.98830	100.0
62.84840	0.4
66.22353	0.4
69.56124	2.9
71.01380	1.5
80.10145	0.4
81.14890	0.4
83.01411	0.4
85.02930	0.7
89.02435	0.6
101.02471	0.5
109.02945	0.4
113.02415	0.4
121.02914	0.5
135.12480	0.5
137.84607	0.4
151.00424	1.1
161.02472	0.4
172.03174	0.4
173.54683	0.4
191.05641	2.7
205.51265	0.4
301.03674	1.8
302.03790	3.1
418.25238	0.6
478.07178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0829
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
59.01385	1.2
63.02401	0.9
65.00340	1.1
65.03642	0.6
69.37134	5.7
76.57050	0.6
81.33938	0.6
85.75089	0.6
102.71336	0.7
107.01391	1.1
109.02934	0.9
124.01663	2.9
135.04523	5.9
137.02460	3.1
151.00371	6.2
152.01105	1.9
161.02438	0.8
163.00371	1.3
164.01190	1.9
169.01410	0.9
178.99817	5.6
179.03523	0.8
191.05594	1.7
203.03436	1.0
214.02737	6.2
215.03224	0.9
242.02115	4.9
243.03101	3.9
244.03731	0.8
259.02411	5.2
270.01700	6.4
271.02454	40.1
272.02808	2.7
276.88705	0.7
280.64880	0.8
281.06946	0.8
281.49094	0.8
287.01959	20.7
288.02615	2.5
315.01263	1.1
316.02213	100.0
317.02841	20.2
349.09210	0.8
479.08221	70.0
480.08493	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	478.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.0
61.98537	2.2
61.98830	29.2
64.77367	1.5
65.00321	3.3
69.03426	2.6
69.46706	10.2
69.57986	1.2
71.01379	8.9
73.02945	2.3
76.67039	1.4
79.39040	1.3
83.01386	2.7
85.02938	15.7
87.00851	4.3
89.02431	3.5
93.03447	11.0
95.01372	1.9
97.02934	4.5
101.02431	3.8
107.01379	6.2
109.02940	5.2
111.04533	1.8
113.02477	3.2
121.02927	4.2
122.03249	1.7
123.00858	4.9
124.01630	4.6
125.02450	46.7
126.02781	5.8
127.04021	2.5
135.04454	4.6
136.03986	1.6
137.02419	6.9
145.02911	4.0
149.99550	8.0
151.00412	13.8
152.00667	6.8
153.01895	1.7
161.02425	3.4
163.00311	5.1
163.04063	2.1
165.01840	2.1
168.00670	16.0
169.01416	55.3
170.01764	4.6
173.04539	2.2
177.01888	2.5
178.99850	7.5
181.56647	1.4
183.04565	2.7
189.01701	1.5
191.05598	100.0
192.05846	4.1
193.01355	2.3
193.33305	1.4
194.01595	1.6
198.03201	3.1
199.03894	4.9
201.05540	2.8
211.03963	6.3
212.04340	1.9
217.01384	3.2
219.31174	1.7
225.01910	4.2
227.03485	12.5
229.04858	3.2
239.75082	1.5
245.04579	2.1
253.01375	18.7
254.01630	2.2
255.03009	10.6
256.03278	2.2
258.05060	1.6
271.02328	3.4
272.02792	2.8
273.03955	4.9
281.00714	8.0
285.04114	2.0
286.04364	3.8
287.09222	2.8
298.01105	4.7
299.01895	3.4
301.03543	22.6
302.03851	41.4
303.03885	3.2
313.05634	5.1
313.08920	1.7
314.04340	6.1
315.04623	14.9
316.05209	7.0
331.06631	4.6
332.07098	4.2
443.05936	1.5
465.06421	8.6
477.10400	1.6
478.11041	33.9
479.10995	2.4
491.08542	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03435	1.8
59.01379	100.0
61.98827	4.3
63.02388	1.2
66.51554	1.0
69.36143	6.8
71.01379	28.6
72.99323	1.2
73.02931	6.4
83.01387	5.0
85.02954	12.6
87.00884	1.3
89.02444	18.4
89.29391	0.8
93.03458	1.4
95.01386	2.1
97.02934	1.1
97.46451	0.8
99.00848	3.1
99.14318	1.0
101.02436	25.0
107.01329	2.1
109.02972	1.6
113.02439	11.7
116.37402	1.1
119.03503	7.2
121.02950	2.3
139.03996	1.7
143.03487	3.3
149.04565	1.4
151.00337	7.8
159.02985	2.2
161.04543	22.7
163.00381	1.4
178.99837	3.9
179.05597	7.2
191.05533	1.7
222.63397	1.1
255.02907	2.2
255.19707	1.7
273.04047	1.3
289.42941	1.0
301.03516	31.7
302.03833	2.1
357.09485	1.3
417.24951	37.0
418.25330	3.3
477.06662	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	1.2
61.98830	5.9
71.01379	7.8
71.53336	0.5
72.99311	0.4
73.02938	2.3
75.00865	6.3
75.78736	0.4
80.10754	0.4
83.01386	0.9
85.02944	4.2
87.00889	0.6
88.98817	0.3
89.02441	1.7
93.03455	0.7
95.01382	0.8
96.96008	5.7
99.00914	1.4
101.02448	5.4
107.01375	0.4
109.02967	1.6
113.02456	3.4
119.03461	0.4
119.05057	1.5
120.99638	0.3
121.02978	2.2
122.03320	0.8
123.00887	0.5
125.02471	2.6
135.04529	0.4
137.02467	0.4
143.03589	0.5
143.07242	0.3
149.06140	0.5
151.00441	0.8
153.01945	1.5
159.03003	0.8
161.04556	8.5
163.04028	1.0
167.00009	0.4
169.01431	2.9
191.05640	1.9
193.05054	0.5
301.03650	1.9
313.05722	1.2
339.05566	1.5
405.11853	0.5
405.29486	0.5
417.24963	10.1
417.30679	0.5
418.25491	1.5
477.10489	2.8
477.16516	1.1
477.26981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44356	0.9
55.01877	8.0
57.03446	7.6
58.00592	2.2
59.01377	62.4
61.98827	3.0
69.03453	1.8
69.80728	1.8
69.81149	3.8
71.01380	96.9
72.99297	2.3
73.02943	33.6
75.00870	1.1
76.93282	0.9
78.95921	1.2
81.03487	1.2
83.01393	18.8
83.62931	0.9
85.02948	45.1
87.00876	5.2
89.02443	30.3
95.01386	8.3
97.02956	2.6
99.00873	15.2
100.53112	1.1
101.02441	100.0
102.02811	1.1
107.01411	2.4
109.02941	2.8
111.64534	0.9
112.84167	1.0
113.02449	45.7
114.02761	1.1
119.03510	12.2
121.02966	2.1
125.02447	2.8
129.01939	1.0
131.03499	1.7
143.03485	7.6
151.00357	8.4
159.02966	8.5
159.22954	0.9
161.04546	46.1
161.05905	2.3
163.00374	1.8
178.99864	3.5
179.05661	5.7
184.85791	1.0
245.04402	1.2
250.29428	1.1
255.02824	1.8
271.02625	1.0
283.02518	1.1
301.03522	33.4
302.03763	2.9
305.34140	1.4
315.18091	38.5
315.21686	2.1
316.18472	3.4
360.82834	1.1
362.36258	1.1
477.06924	3.3
477.23410	41.4
478.23730	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	477.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98385	0.7
59.01377	8.7
61.98848	0.8
71.01388	4.7
72.99311	3.7
75.00870	26.4
75.42152	0.8
79.44749	0.7
87.00874	2.7
89.02444	7.6
96.95998	0.9
98.20653	2.3
101.02423	0.8
106.97971	0.7
117.01960	2.3
119.03516	1.5
135.02995	100.0
136.03334	1.5
164.40959	0.7
170.37875	0.8
179.05583	2.0
180.65361	0.8
241.97166	1.0
272.38007	0.8
300.11584	0.7
319.45850	0.7
341.10818	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	477.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36328	1.1
59.01381	31.3
60.99303	4.2
61.98822	4.5
65.12994	1.1
67.69769	1.2
69.28784	7.0
69.29186	2.4
71.01382	5.2
71.51365	1.0
72.99297	1.1
73.02926	2.2
81.03430	1.2
83.01404	1.2
85.02946	4.2
87.00877	1.9
88.00401	1.2
88.98804	28.2
89.02443	23.6
93.03456	2.0
95.01344	1.1
101.02436	4.2
103.60241	1.0
107.01374	4.0
108.02175	11.7
109.02951	6.2
113.02435	2.7
119.05044	12.8
121.02922	1.4
123.00862	3.7
123.04533	2.3
125.02447	22.7
133.02957	3.6
135.04475	3.0
137.02461	1.0
151.00365	5.2
152.01151	10.3
153.01889	3.2
159.04672	1.1
161.02422	12.2
161.04485	2.4
163.03993	7.0
165.01900	1.0
168.00630	1.3
169.01408	28.5
178.99754	1.5
179.03481	2.3
183.10204	4.1
188.83727	1.1
191.05653	6.4
203.03535	1.2
242.99382	1.5
270.98819	21.3
271.09897	1.4
271.99265	1.8
289.99088	1.1
298.98340	22.1
299.99094	100.0
300.99512	10.4
301.03488	10.3
301.05908	1.0
312.99869	3.3
313.05600	6.7
314.00677	13.0
315.01456	76.7
315.06717	6.4
316.01700	5.8
335.13220	1.1
357.46381	1.1
417.25061	5.4
433.11017	2.9
477.06750	57.5
477.11017	13.4
477.22870	1.9
478.07104	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	477.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92831	1.2
57.03446	1.5
59.01376	10.2
59.07855	1.1
61.98821	5.7
63.02399	2.8
65.00316	6.9
67.01881	2.0
67.46725	1.1
68.99548	4.6
69.03447	1.9
69.73162	2.6
69.73568	5.3
71.01382	8.7
73.02946	1.4
75.00870	1.3
78.95903	5.6
81.03448	3.2
83.01379	5.9
85.02929	4.2
89.02428	2.1
91.01862	1.9
93.03443	6.0
95.01386	1.9
101.02448	2.3
107.01369	7.9
108.02176	3.2
109.02956	12.4
111.00918	1.6
112.98544	4.2
113.02419	3.0
119.01382	2.3
119.76412	1.4
121.02971	8.1
123.00883	2.3
125.02415	2.6
137.02438	50.1
138.02771	2.0
139.00328	2.7
147.00848	3.8
151.00360	35.1
152.99506	1.7
153.01968	1.8
153.44766	1.2
155.03467	1.8
163.00346	14.9
164.01138	10.1
165.01915	56.4
166.02313	1.9
171.10269	1.9
175.00357	3.6
176.01204	1.4
178.99857	23.5
179.01364	2.8
180.00523	3.0
191.05571	12.3
192.00554	1.8
199.04156	1.3
202.02754	2.3
202.99849	11.7
206.99359	4.7
208.00104	63.1
209.00893	92.1
210.01234	4.3
211.03922	2.6
227.03522	3.2
229.04988	1.8
230.02222	1.8
245.04501	3.6
246.98820	43.8
247.99229	3.2
255.03004	5.1
266.01956	1.4
273.03998	2.4
281.60449	1.5
283.02258	2.1
296.42087	1.9
301.03519	100.0
302.03912	7.1
357.09702	1.6
358.39615	1.3
373.09409	1.8
401.08609	5.3
433.11319	9.6
476.69180	1.4
477.06326	9.8
477.20712	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53191	1.8
53.98343	1.8
59.01385	9.2
59.33857	1.8
60.32206	2.0
61.98825	5.2
63.02380	2.3
65.00327	5.1
69.51936	4.8
69.52347	8.0
71.01382	4.4
78.95879	4.6
81.03469	2.2
83.01375	4.3
85.02930	3.9
91.29330	1.9
93.03472	5.7
105.71919	1.7
106.78571	1.8
107.01398	7.8
108.02179	2.0
109.02940	14.8
111.00845	2.2
113.02422	2.1
117.25263	1.9
119.01359	2.9
121.02948	8.2
126.15308	2.1
137.02443	53.8
147.00890	5.7
151.00378	26.4
153.02002	2.6
163.00362	12.0
164.01118	7.9
165.01920	74.1
166.02298	2.7
175.00269	2.1
178.99878	19.0
180.00600	2.3
191.05482	9.3
195.60216	1.8
202.99844	14.2
206.99353	4.6
208.00114	74.9
209.00894	100.0
210.01216	5.6
227.03485	2.3
229.04984	2.7
230.02086	2.9
245.04512	2.5
246.98814	55.7
281.60648	2.0
283.02530	2.4
297.07693	2.5
301.03522	74.9
302.03809	5.4
401.08908	5.0
433.11362	11.1
477.06647	10.2
477.20718	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	477.1035
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
54.03389	0.8
59.01379	13.5
70.95935	2.7
71.01387	5.3
71.01714	1.0
71.36652	0.9
85.02968	1.4
88.98775	1.6
89.02444	3.0
89.20218	1.0
95.01414	1.0
101.02451	2.0
107.01392	9.7
108.02172	2.9
109.02944	2.6
111.00884	1.4
113.02435	1.3
119.05020	60.6
120.05350	3.5
121.02981	1.2
123.00874	9.8
125.02441	44.1
125.81445	1.0
133.02951	2.3
135.04466	1.1
139.00368	2.3
140.01181	2.1
151.00369	10.4
152.01097	3.6
153.01953	2.3
161.02438	4.7
161.04590	1.0
163.04004	24.6
168.00598	2.1
169.01413	61.0
170.01712	2.6
179.03558	1.3
191.05615	2.5
193.01230	1.0
211.02478	1.7
218.96288	0.9
301.03531	7.0
313.05630	22.9
314.05728	1.2
315.07217	2.4
399.76611	0.9
426.28989	1.0
433.11292	6.9
434.11761	1.3
459.09109	2.7
477.10349	100.0
478.10727	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88714	1.3
59.01377	60.3
61.98819	2.4
64.21365	1.1
69.03458	1.9
71.01382	10.9
71.02688	1.2
71.52882	1.7
73.02940	2.2
82.08945	1.3
85.02938	5.2
87.00877	1.7
89.02433	3.1
93.03439	1.9
95.01417	2.2
99.00817	1.2
101.02418	6.6
107.01401	11.9
108.26379	1.4
109.02960	2.2
111.00867	2.8
113.02422	4.3
116.84747	1.2
119.05021	85.6
120.05355	2.9
123.00891	14.7
124.01714	1.6
125.02445	60.5
126.02834	1.7
133.02934	2.0
134.03757	7.2
138.03163	1.5
139.00366	4.6
140.01154	2.2
143.03584	1.6
149.06058	6.2
151.00360	9.2
151.01376	1.6
152.01207	1.4
161.02498	1.3
161.04520	3.4
163.04008	41.6
164.04317	2.2
168.00581	2.6
169.01413	95.0
170.01659	2.5
179.05528	1.3
191.05608	6.5
211.02458	1.7
241.03687	2.3
242.99335	2.3
258.01669	3.7
270.98822	35.7
271.99124	3.0
283.99564	5.0
285.00336	8.9
286.01163	5.3
298.98303	51.9
299.98938	7.3
300.99841	2.3
301.03464	4.6
313.00119	16.1
313.05612	59.6
314.00638	50.2
314.06091	3.2
315.01138	5.6
387.11789	2.1
417.24832	6.2
433.11224	4.0
461.23676	1.6
477.05887	37.5
477.10315	100.0
478.10498	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	477.0669
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.25815	0.3
59.01376	1.6
63.02396	2.7
65.00319	4.1
66.69183	0.3
69.46354	0.7
69.46777	1.5
71.01373	2.7
77.79006	0.3
83.01390	3.0
85.02963	1.5
89.02460	0.3
91.01896	0.5
93.03453	1.3
95.01385	0.6
98.20661	0.4
99.00876	0.7
103.00359	0.5
107.01389	7.8
108.02206	0.3
108.99246	0.3
109.02954	5.2
113.02469	2.2
119.01389	1.1
121.02949	7.0
122.03263	0.3
123.00912	0.5
125.02430	0.3
135.00838	0.7
135.14780	0.3
139.04002	0.8
145.03011	0.3
149.02412	1.1
150.80722	0.3
151.00360	25.1
152.00735	0.5
159.04443	1.0
161.02446	0.6
163.00380	4.6
164.01123	0.4
167.05009	0.5
169.01418	0.3
173.06065	0.6
175.02454	1.2
175.03967	0.5
178.99857	8.4
180.00235	0.4
183.04449	1.2
185.06145	0.4
187.03958	0.7
193.01456	0.3
199.04015	0.4
201.05615	1.4
203.03508	0.8
211.04016	1.8
212.04652	0.4
217.05093	0.4
227.03453	2.2
228.04108	0.6
229.04985	1.5
239.03459	0.7
243.02869	0.6
245.04558	2.5
246.04921	0.4
255.02982	4.4
256.03497	0.7
257.04520	0.5
265.84457	0.3
266.02182	0.4
271.02542	0.7
273.04065	2.0
283.02432	1.9
284.02841	0.5
300.02835	0.6
301.03503	100.0
302.03864	10.8
319.23120	0.3
397.29703	0.3
477.06665	12.8
478.07111	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31215	0.8
52.90567	0.8
57.03447	0.9
59.01080	0.6
59.01376	18.8
59.01657	1.6
61.98824	4.2
63.02392	1.8
65.00327	4.0
71.01379	7.7
71.53499	1.4
73.02943	1.3
75.86932	1.0
83.01392	4.0
85.02958	2.9
86.05779	0.9
89.02469	2.2
93.03495	1.9
101.02455	3.0
103.00363	1.0
107.01393	8.4
109.02943	6.1
110.51752	0.8
113.02448	2.8
116.07365	0.9
118.13020	1.0
119.01443	0.9
121.02922	7.2
125.02448	16.1
126.02905	1.1
130.27792	1.0
133.02971	5.5
134.03783	1.2
135.04517	20.2
137.02452	2.4
145.02962	1.0
149.02530	1.2
149.04762	1.2
149.06102	4.1
151.00368	30.4
153.01970	1.6
161.02437	19.3
161.04553	1.4
163.00420	3.9
163.04076	1.2
168.00699	1.0
169.01419	21.9
170.01794	1.1
171.04639	1.3
175.03986	1.7
177.02687	0.8
177.05620	6.1
178.99866	12.5
179.03477	18.4
179.04953	1.4
180.03886	1.2
183.04575	1.8
187.04007	1.7
191.05670	2.4
197.02568	0.9
199.03966	5.2
201.01949	2.3
203.03471	1.1
211.04123	1.8
213.01773	1.1
215.03470	4.8
221.04532	8.6
226.02823	1.0
227.03555	4.5
229.01552	1.4
239.03534	0.9
242.02133	8.8
243.02960	43.2
244.03372	3.4
245.04611	2.6
251.05592	12.0
255.02946	5.0
256.03555	0.9
257.04556	12.4
270.01617	11.3
271.02448	40.0
272.03012	3.1
273.04047	2.3
281.06644	18.6
282.07101	1.2
283.02570	2.2
285.04044	24.6
286.04654	7.3
299.01974	6.7
300.02710	5.5
301.03503	89.2
302.03842	7.9
314.04291	47.9
315.04916	9.8
341.08871	6.5
357.06165	1.1
393.66644	0.9
417.24774	1.3
477.10590	100.0
478.10843	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24849	0.3
59.51573	0.3
62.96386	0.4
66.17751	0.3
71.45001	0.4
71.45358	0.4
77.49702	0.3
78.95903	100.0
96.96959	7.8
104.35566	0.3
121.02988	0.3
122.98498	0.3
140.01245	0.5
152.99580	17.3
171.00641	19.0
172.00970	0.3
214.04724	0.7
258.30664	0.3
279.23288	1.4
301.03525	1.5
402.05496	0.3
402.24265	1.4
476.27808	60.6
477.28082	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
60.67272	0.2
70.03584	1.0
72.13534	0.2
75.96424	0.2
78.95902	8.9
96.96948	0.3
98.19843	0.2
140.01183	2.1
151.00372	0.4
152.99603	1.3
171.00555	0.7
196.03816	1.4
214.04837	2.8
233.62480	0.2
242.51279	0.2
261.22104	0.5
268.24097	0.2
279.23260	100.0
280.23608	7.9
280.26663	0.4
301.03503	0.9
396.63309	0.2
476.27832	9.2
477.28180	1.2
498.96960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
61.98808	0.9
67.63196	1.1
69.03432	1.0
71.01389	7.1
72.99315	3.0
73.02933	1.1
74.65671	1.0
78.36524	0.9
85.02953	1.4
85.19726	0.9
87.00874	1.6
88.98788	2.7
89.02439	8.6
95.01370	1.3
96.96015	1.1
97.02942	1.8
101.02422	4.1
108.48534	1.0
113.02421	1.9
113.05238	0.9
119.03468	1.6
120.99639	1.7
121.02956	100.0
122.03260	2.8
123.00890	1.7
125.02427	4.1
131.03539	2.5
135.04485	2.2
138.03249	2.4
139.04005	1.1
147.06664	1.0
148.97809	0.9
149.04555	3.8
149.05931	1.0
151.03931	1.3
153.05594	6.4
159.77797	1.0
161.02435	3.0
166.99821	1.0
169.01408	4.0
176.04778	1.4
179.03490	1.2
191.05617	4.8
191.07153	2.0
217.04903	1.4
225.05815	8.0
242.46271	1.1
293.08749	1.7
387.11435	1.4
415.12454	2.2
475.12772	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	476.2779
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01393	0.5
62.96383	0.4
71.01370	0.4
78.95901	40.4
84.63487	0.3
88.33092	0.3
96.96950	1.6
122.00125	0.9
122.98536	0.3
134.98595	0.3
140.01193	6.0
146.52380	0.2
151.00392	0.7
152.99579	4.6
156.60860	0.3
166.02701	0.2
171.00623	4.3
183.69537	0.4
196.03784	10.7
214.04871	2.5
229.44618	0.3
261.22195	0.5
279.23276	100.0
280.23615	8.7
301.03531	2.5
425.61850	0.3
435.38010	0.3
476.27789	36.2
477.28091	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	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
68.95736	0.5
69.03459	0.7
71.01379	5.1
76.14645	0.4
76.43151	0.4
85.02951	1.4
89.02441	6.0
89.03999	0.5
95.05045	0.6
101.02442	3.5
107.05045	1.0
113.02455	1.8
117.03457	1.3
119.03494	2.0
119.08566	0.4
123.04604	0.5
125.02467	0.9
132.02165	1.4
133.02948	29.1
134.03766	3.1
135.04520	48.9
136.04817	1.7
151.06039	2.3
161.02429	100.0
162.02745	3.9
169.01413	0.8
174.43797	0.4
177.05539	0.8
179.03484	37.8
180.03862	2.2
191.05510	1.5
218.08250	0.7
221.04512	1.3
281.06641	2.2
314.10437	0.6
341.08566	0.6
398.14929	0.5
421.19412	0.5
475.14529	84.0
476.14932	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.27488	0.2
59.01377	8.5
61.98826	0.4
69.03430	0.2
71.01378	1.2
71.05019	11.1
74.97556	0.2
81.03477	0.2
83.01379	2.8
85.02959	0.6
89.02446	0.8
93.03432	0.2
95.01411	0.2
95.05025	2.4
97.02948	11.5
98.03315	0.3
98.19868	0.5
101.02447	0.7
110.00438	0.2
111.04503	0.3
113.02457	0.5
116.92877	0.4
119.03497	0.2
134.71509	0.2
135.04523	0.8
137.02457	0.2
139.04010	100.0
140.04353	3.5
147.04544	1.5
153.05579	0.8
161.04544	0.8
163.03989	3.4
179.03482	0.5
179.05438	0.2
181.05098	1.1
183.02971	1.7
191.05643	0.5
192.05975	0.2
193.05035	0.4
207.02936	0.3
262.63599	0.2
283.08383	0.2
295.84647	0.2
299.01788	0.3
345.19382	0.2
415.23633	0.9
475.12323	3.6
476.12573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
61.98811	1.4
62.86234	0.9
69.53127	7.4
70.99607	8.0
71.01360	3.9
72.05241	0.9
74.99081	2.1
79.72799	1.0
83.01351	1.0
84.83430	0.9
89.02450	1.2
91.15468	1.0
95.01373	1.3
101.02418	1.2
118.97637	1.3
120.99665	14.0
123.00859	9.1
125.02451	5.6
126.25148	1.0
133.02950	1.5
138.03224	34.5
138.63625	1.1
153.05566	78.9
154.05899	3.0
161.02431	13.9
161.04529	1.2
169.01431	7.4
173.76013	1.1
176.03337	1.7
176.04778	25.8
177.05107	1.6
191.05765	1.9
191.07133	32.0
192.07532	1.9
194.00436	4.9
195.01112	2.1
202.00444	1.0
209.02757	8.7
210.03511	4.7
223.04248	2.8
224.05066	1.2
225.05888	100.0
226.06213	5.4
239.55629	1.0
241.34537	1.1
313.07501	10.4
314.07880	1.4
346.49216	1.0
387.11108	19.0
388.11383	1.3
475.12723	15.3
476.13074	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	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
59.01377	13.0
61.98818	0.8
69.03454	0.4
71.01371	3.1
71.05021	7.9
73.02933	0.6
77.83302	0.3
83.01385	1.0
85.02947	1.3
89.02446	1.7
91.05473	0.3
93.03460	1.0
95.05032	5.4
96.05360	0.3
97.02949	21.3
98.03262	0.3
101.02449	1.8
103.05527	0.5
109.02980	0.5
111.04504	0.5
111.14380	0.3
113.02438	0.6
119.03490	0.6
121.02957	0.7
121.06596	0.5
123.52805	0.3
133.02928	0.4
135.04526	0.4
137.02444	7.1
138.02951	0.3
139.04008	100.0
140.04350	3.2
147.04524	1.8
153.05563	0.6
161.02434	0.7
161.04581	1.7
161.05858	0.4
163.04018	1.2
165.01932	7.0
166.02252	0.3
172.76965	0.3
173.04544	0.3
179.05646	0.6
181.05005	0.5
183.02965	5.9
191.05618	1.8
222.67076	0.3
299.02029	0.3
299.07700	0.3
387.25153	0.3
411.16788	0.3
415.23340	2.9
475.12402	17.1
476.12799	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	475.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.6
59.01381	8.6
61.98820	1.7
63.87658	0.5
65.00306	1.3
68.99818	0.7
69.87737	1.6
69.88147	1.1
71.01368	2.1
73.02933	0.6
75.00837	0.5
77.39767	0.5
83.01365	0.8
85.02924	1.1
87.00837	0.8
89.02451	1.9
91.01930	0.5
93.03426	0.5
96.57831	0.5
97.02980	0.5
98.00873	0.4
101.02425	2.1
104.85896	0.5
107.01354	0.6
108.02157	0.6
109.02946	2.7
111.00862	0.7
113.02423	1.0
116.92835	0.6
119.01337	1.0
119.03513	0.4
121.02938	1.7
123.00822	0.7
124.01666	0.7
124.22761	0.5
129.87762	0.5
135.00845	2.0
136.01698	0.7
137.02449	0.6
148.01688	3.8
149.02388	0.9
151.00339	1.1
159.04427	0.9
161.02417	0.9
161.04538	1.0
161.36612	0.4
163.00381	4.2
164.01163	1.0
165.01917	1.4
165.58945	0.5
176.98326	0.6
177.01921	0.9
178.99841	13.4
183.04529	2.0
185.02422	0.6
186.03162	0.7
187.03922	1.3
189.99055	2.0
190.99858	4.7
191.05603	1.8
192.00591	5.3
193.01315	1.2
198.03168	1.1
199.03969	1.6
200.04803	0.8
203.03474	0.6
206.99336	2.2
211.03986	8.7
212.04674	1.1
213.01820	0.7
215.03455	1.0
216.04137	0.6
226.02664	5.0
227.03482	8.7
228.04103	2.2
229.05000	1.4
237.02145	0.7
239.03462	6.4
240.04068	0.8
243.02995	2.4
245.04453	0.9
254.02138	1.3
255.02965	17.4
256.03604	2.7
257.04480	1.8
266.02124	1.3
271.02454	39.1
272.02902	4.0
273.04074	1.4
281.00958	1.0
282.01624	4.0
283.02460	28.4
284.02911	2.1
299.01926	7.9
300.02768	4.7
301.03482	8.3
302.03503	0.6
311.01971	7.5
328.02216	75.5
329.02975	100.0
330.03403	6.5
415.23273	4.4
475.08801	60.4
476.09103	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
69.37743	3.8
78.95901	53.8
90.60113	0.5
96.96960	2.1
104.97474	0.6
116.98911	0.4
122.00120	1.4
135.49547	0.5
136.63333	0.4
140.01172	5.1
152.99556	7.7
171.00633	5.8
196.03795	13.5
214.04787	3.4
277.21698	100.0
278.22055	9.7
381.01541	0.6
400.22583	0.7
474.26257	40.4
475.26617	5.1
475.32932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
61.98810	1.3
62.07649	0.3
71.01385	3.2
72.07737	0.3
72.99283	0.3
73.02927	0.8
76.90361	0.3
83.01376	0.4
85.02940	0.7
87.00818	0.4
89.02435	2.5
90.18781	0.3
93.03425	1.1
98.20692	0.7
101.02432	1.9
103.45557	0.3
109.02956	0.3
110.29079	0.3
113.02405	1.4
119.03494	1.1
119.04967	0.6
119.60979	0.3
125.02434	1.1
128.02641	0.4
128.82930	0.3
132.02177	0.8
133.02988	0.4
135.04512	1.9
141.00174	0.4
143.03474	0.4
144.02196	0.3
147.04498	0.3
149.04495	0.4
150.22058	0.3
151.03993	1.9
156.02168	1.6
160.01599	0.6
161.02480	2.4
161.04535	1.4
163.04016	0.7
169.01376	0.7
169.02878	0.4
172.01622	0.4
173.02393	0.9
173.04518	0.5
176.01114	0.4
177.05484	0.3
179.03467	0.6
179.05659	0.5
184.01633	2.4
184.89470	0.3
185.02457	1.7
187.00237	0.4
188.01099	0.5
191.05588	1.9
200.01147	3.1
201.01810	1.0
212.01158	1.9
213.01904	2.7
214.99857	0.5
216.00731	0.4
226.99829	2.2
228.00620	2.1
229.01314	1.4
230.99210	0.5
240.00607	3.8
241.01384	1.8
254.99261	4.0
255.99950	1.5
257.00903	1.0
268.00107	1.2
282.98792	5.9
283.99582	8.6
285.00348	11.8
286.00787	0.8
299.01849	0.5
309.11969	0.6
310.98260	2.7
311.99106	21.1
312.99866	100.0
314.00238	7.8
415.23218	1.7
475.05157	63.9
475.22192	1.3
476.05508	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	474.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23882	0.4
59.01362	0.9
59.20623	0.4
62.09841	0.4
69.03454	1.9
69.52416	3.2
71.01368	0.7
79.01887	0.5
81.03450	1.0
82.05415	0.4
83.01395	1.3
84.04550	2.8
85.02952	1.0
88.04037	15.4
89.02409	0.8
90.54070	0.4
95.01383	1.2
97.02931	2.2
98.06099	0.7
107.01392	1.5
108.02171	1.0
109.02943	1.9
112.04032	1.4
113.02443	1.0
118.05116	1.2
119.03439	0.5
121.02933	0.6
123.00887	7.6
123.04506	1.1
124.01665	17.7
125.02443	48.4
126.02773	1.4
130.05106	7.1
133.02933	1.2
135.04520	7.1
136.01674	0.9
137.02438	6.0
142.05118	0.5
149.99583	26.7
151.00394	3.0
151.03970	0.7
160.06160	5.5
161.02449	3.2
166.01077	0.5
167.03525	1.8
168.00635	50.4
169.01411	8.1
170.01813	0.6
179.03499	5.4
180.03835	0.4
181.03354	0.5
185.36729	0.4
191.05643	1.0
211.02522	0.7
287.07715	0.8
313.05612	12.0
314.06033	0.9
317.04721	0.5
331.06689	3.3
444.11447	1.4
456.11230	0.9
474.12506	100.0
475.13034	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98826	0.3
69.03465	0.4
69.93409	0.2
71.01384	0.3
78.57619	0.2
78.95903	21.8
83.05019	0.3
83.85715	0.2
96.96969	1.2
98.20647	0.5
140.01192	2.8
152.99574	2.8
171.00627	2.3
196.03770	1.1
214.04839	3.5
233.22775	0.3
259.20624	0.5
275.20166	0.5
277.21704	100.0
278.22055	8.8
291.19550	0.2
309.20740	0.5
338.04742	0.2
457.25757	0.2
474.26199	15.0
474.32953	1.2
475.26404	1.9
475.34140	1.4
499.22232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3271
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
58.51328	0.2
59.01378	0.4
63.12874	0.2
68.63702	0.2
69.75906	1.1
90.51548	0.2
107.40921	0.2
109.06547	0.3
113.16240	0.2
140.80199	0.2
216.48207	0.2
247.91530	0.2
254.43675	0.2
265.46866	0.2
278.55753	0.2
365.28375	0.5
367.29944	0.3
377.28317	0.3
379.30099	0.3
395.29593	2.1
407.29370	0.8
437.30722	0.3
455.31580	0.6
473.32684	100.0
474.33051	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	473.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13132	0.2
56.49043	0.2
57.03437	0.3
58.88655	0.2
59.01387	2.1
61.98834	1.2
70.91785	0.3
74.30424	0.2
74.45860	0.3
88.67599	0.3
286.83762	0.3
407.29660	0.8
411.29364	0.8
413.26926	2.4
414.27502	0.5
425.26959	2.1
427.28253	0.3
429.30389	0.9
441.26770	0.7
443.32043	0.4
473.32953	100.0
474.33307	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	473.3634
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
55.79240	0.2
57.03437	0.3
58.68700	0.2
58.69215	0.3
59.01373	0.9
61.98820	0.6
71.05023	2.1
71.53322	0.4
93.07436	0.2
109.06589	0.3
135.57152	0.2
263.60718	0.3
283.95709	0.3
300.93604	0.2
328.85611	0.3
341.08240	0.3
389.28854	0.3
406.17975	0.2
409.34680	1.2
410.35065	0.3
411.32706	1.1
413.34244	6.4
414.34705	0.8
429.37625	0.3
473.36447	100.0
474.36746	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	474.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84145	2.7
56.98028	6.9
58.99603	4.2
59.01380	78.9
60.97532	10.9
68.99793	6.6
69.03448	9.0
71.01372	42.5
71.09438	6.1
71.09772	2.8
72.99300	4.9
74.99073	3.5
78.95921	3.0
85.02958	10.5
88.61738	2.6
89.02444	45.3
94.02981	12.6
95.01353	3.8
96.96969	6.5
101.02448	28.9
106.50622	2.7
111.96017	2.5
112.04050	10.4
113.02486	18.4
118.98123	5.5
119.03497	24.3
122.02483	61.6
123.04520	3.7
125.02486	4.4
135.04524	12.9
142.06624	3.2
143.03496	3.2
146.06114	10.9
149.04547	3.1
152.01753	3.9
161.02496	3.6
161.04535	3.0
163.02251	5.1
168.91660	2.5
169.01332	5.6
170.06007	4.8
172.04057	7.9
173.04826	4.7
174.05598	8.5
179.03490	7.8
179.05585	12.0
180.01233	100.0
181.01491	3.6
186.05597	6.0
188.07158	6.4
190.03523	4.1
190.05133	8.2
191.05560	12.3
192.06616	4.8
198.02296	8.6
198.05550	8.4
201.04201	3.0
204.04893	4.5
216.06567	24.7
221.65498	3.0
232.04349	96.2
242.01204	5.4
244.06116	3.3
294.04309	7.9
312.05252	9.2
412.10519	9.1
474.10693	88.2
475.11063	9.5
491.22815	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	473.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92117	1.0
78.95887	0.9
98.80181	0.5
100.33033	0.6
140.81969	0.5
189.12834	1.3
205.15939	20.4
206.16284	1.7
216.43974	0.5
220.02551	0.5
260.28354	0.5
267.11459	0.9
426.14496	0.4
441.21420	0.5
443.23627	1.0
457.25092	10.1
458.25400	1.4
472.72507	0.6
473.28201	100.0
474.28592	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	473.327
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.39062	0.4
57.03448	3.2
59.01382	1.0
59.32735	0.4
59.71053	0.4
61.98827	0.7
65.57969	0.4
66.50254	0.4
68.66532	0.4
71.01376	0.9
71.05029	0.4
71.90437	0.4
73.02944	2.1
97.06589	0.8
109.06589	0.6
111.04536	0.6
111.08171	0.8
139.07645	0.8
143.51532	0.5
148.43764	0.5
154.08214	0.4
189.12830	3.6
191.14404	6.1
233.15547	0.6
285.18701	0.4
307.24362	0.4
321.20764	0.5
363.26920	0.5
377.28592	0.7
379.30093	0.8
391.30255	0.8
392.27222	2.4
405.27908	0.6
407.29633	3.8
409.31073	4.4
410.31085	0.5
421.31189	1.0
423.29001	1.8
437.30750	0.7
439.32208	13.3
440.32553	2.6
441.29785	0.7
455.31534	3.3
456.32251	0.9
473.32693	100.0
474.33124	13.7
492.75467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39923	1.8
59.01374	12.9
61.98835	2.1
66.66833	1.9
71.01393	12.3
89.02428	16.7
98.19956	4.9
101.02433	3.3
113.02402	2.9
117.54664	2.2
174.81445	2.0
179.05525	3.8
195.13789	2.5
200.13013	2.1
293.21204	18.5
352.85272	2.0
393.32822	2.1
411.32724	4.5
426.05573	2.3
458.93527	2.0
463.62064	1.8
471.33887	3.5
472.35077	5.2
473.36215	100.0
474.36517	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61945	0.5
55.01880	0.8
57.03436	1.6
58.00572	1.9
59.01379	44.9
61.98821	1.5
71.01382	27.9
72.99297	2.8
73.02940	1.2
78.95892	0.6
82.03736	0.5
83.01378	2.0
85.02950	5.4
87.00845	1.2
89.02444	22.2
95.01349	1.5
96.96014	18.1
101.01805	1.0
101.02441	13.9
113.02439	9.0
115.00394	0.7
119.03508	8.7
143.03499	1.2
161.04533	1.0
171.10233	1.0
179.05626	0.8
183.13898	7.4
191.05643	1.0
201.11041	0.6
206.43985	0.6
211.13370	2.0
229.13055	0.8
275.20090	2.9
290.07498	0.7
293.21231	21.4
294.21619	1.1
311.22226	2.0
329.14096	0.7
329.37997	0.7
418.06461	0.7
473.27518	100.0
474.27911	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	473.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03432	2.4
58.00579	1.1
59.01379	26.9
61.27053	0.6
61.98820	2.1
66.89083	0.6
71.01380	18.4
71.52974	0.8
72.99306	1.1
73.02951	2.0
83.01394	1.2
85.02940	5.2
85.75648	0.7
87.00878	1.7
87.04525	1.3
89.02447	10.8
95.01392	1.3
99.00874	0.7
101.02438	9.8
113.02451	6.1
119.03506	3.7
121.02962	8.4
121.03783	1.1
122.03255	0.8
125.02354	0.8
183.13892	4.1
201.11266	1.1
223.17001	4.8
225.05533	0.9
231.20842	0.6
235.17009	1.0
275.20129	2.5
293.21204	10.8
311.22321	5.8
313.07095	1.3
351.70331	0.7
357.06567	0.7
401.08780	6.2
455.26303	0.9
455.31921	1.3
473.27609	100.0
474.27884	12.9
476.71622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99880	8.7
55.75191	10.3
58.28696	9.1
59.01378	100.0
61.98814	28.9
63.64808	9.5
71.01374	34.2
71.53886	11.5
75.45391	9.1
78.95905	21.4
85.02955	10.7
89.02443	30.3
91.17918	11.4
93.03490	13.9
101.02425	23.4
135.04517	17.2
191.05600	37.0
251.16499	20.6
264.94397	9.3
311.22067	14.8
437.23758	15.7
473.27658	36.5
473.33575	20.8
474.28928	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
59.01378	100.0
59.24136	0.5
60.01722	0.7
61.98828	6.9
68.86073	0.4
69.03450	0.7
71.01377	10.2
72.99307	0.6
73.02952	2.4
75.79358	0.5
83.01398	1.7
85.02955	5.0
87.00869	0.6
88.98806	0.5
89.02440	5.7
93.03480	1.0
95.01410	0.6
97.02970	1.2
99.00909	1.3
101.02442	7.9
109.02976	1.8
113.02438	4.1
119.03495	2.7
119.05026	1.2
125.02493	1.2
130.04294	0.8
131.05011	2.9
133.02913	6.4
135.04512	4.8
137.02507	0.8
143.03534	0.9
149.06065	3.0
159.02962	1.4
161.02449	17.2
161.04526	9.0
163.04034	0.6
169.01468	0.9
171.04677	0.5
179.03540	4.0
179.05630	0.7
189.05620	0.8
191.05591	10.0
192.06035	0.7
203.03447	1.0
221.04663	1.5
280.90784	0.6
303.01553	1.0
323.07733	5.0
353.08743	1.0
397.93088	0.6
410.14929	0.7
413.21738	10.2
414.22177	1.1
473.14865	7.4
473.20395	0.4
474.15027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	93.9
60.01707	1.6
61.98821	4.1
70.03265	3.8
70.03676	2.3
76.25562	1.1
98.19969	1.9
103.73434	1.2
107.43355	1.2
128.78023	1.2
139.30150	1.3
150.07239	1.1
215.93164	1.2
266.70700	1.1
299.10855	1.2
387.08923	1.3
397.29205	1.2
427.35822	1.8
472.35052	4.2
473.32660	100.0
474.32214	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	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49758	0.9
51.18402	1.0
58.00578	1.0
59.01378	61.6
61.98829	7.8
65.03961	1.7
67.01885	1.3
67.04941	1.0
69.03455	100.0
69.49067	6.4
70.03823	1.1
70.98220	0.9
71.01380	17.8
72.99294	1.6
73.02939	2.5
75.00860	1.5
78.95895	4.6
83.01393	1.9
85.02958	3.8
87.04496	1.9
89.02435	5.7
93.03442	1.4
93.07097	2.0
95.01399	1.1
95.05021	25.2
96.96013	2.1
96.96958	5.2
97.02947	1.1
97.06578	2.1
99.00933	2.0
101.02454	10.3
101.06081	62.0
102.06440	1.5
103.05527	1.7
106.04250	7.2
111.00923	1.8
113.02450	6.7
113.06113	1.5
115.07648	93.0
115.18860	0.9
116.07998	3.9
119.02754	1.0
119.05040	2.4
121.02958	11.7
121.06593	59.0
122.06937	2.5
123.04539	6.4
125.02438	1.7
130.30573	0.9
133.02907	1.1
135.04526	4.0
139.00381	8.3
139.04008	2.8
139.07648	5.8
143.07129	12.4
147.04475	1.4
152.63390	1.0
159.06613	1.8
161.02428	2.0
161.04544	1.0
161.05975	1.0
163.04016	1.3
165.05569	24.8
166.05858	1.1
166.50659	0.9
173.08183	1.3
179.03503	2.7
183.06624	12.4
191.03981	1.1
191.05617	7.0
191.09300	1.4
192.05957	1.3
193.53223	1.0
197.08128	1.3
203.09207	5.1
209.04556	8.9
268.03668	2.4
269.04520	1.4
327.10788	1.6
412.38937	1.1
429.17606	12.4
430.17902	2.0
451.36588	1.1
466.33224	1.2
473.10159	2.0
473.16602	21.7
473.23215	2.3
474.16919	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	471.3476
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.71368	0.5
57.49371	0.5
59.01370	0.6
60.99289	1.7
69.03458	0.7
71.05009	0.7
71.44921	0.9
83.05057	1.3
97.06571	1.2
108.94542	0.5
206.72206	0.6
388.92578	0.5
391.30145	1.6
399.32513	0.7
407.33218	14.3
408.33447	2.2
409.30988	1.3
411.32666	3.6
423.28525	0.8
425.26984	6.4
425.34326	2.8
427.35754	2.0
439.32138	1.4
441.29584	1.6
441.34705	0.8
451.32144	1.1
453.33957	2.7
469.33252	1.7
471.35623	100.0
472.35831	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	471.3477
Annotation	Triptotriterpenic acid B
Peak:m/z	Relative Intensity
59.01378	2.0
60.99307	13.6
61.98845	1.5
69.03455	13.6
69.95520	1.2
71.05031	2.2
78.95913	1.6
80.02676	2.0
93.03498	1.4
112.24836	1.3
137.09714	2.6
152.99510	1.5
165.22450	1.3
169.26634	1.3
191.05667	1.5
210.35692	1.1
375.26770	2.6
377.28348	2.8
391.30035	12.6
392.30508	1.7
393.31693	2.1
399.29053	2.6
400.29147	1.5
405.31671	2.1
407.33182	100.0
408.33493	11.4
409.34717	19.0
410.34702	2.6
421.30914	2.1
423.33002	2.6
425.21457	2.5
425.26953	31.4
425.32733	1.9
426.27264	5.2
427.29263	1.2
427.35800	10.1
433.35388	1.3
437.30502	3.6
441.33578	7.9
453.34128	18.9
454.34064	2.9
471.35358	88.9
472.35614	12.4
485.32675	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.3
62.73605	0.6
64.99535	0.6
71.01383	6.7
77.87807	0.5
78.69723	0.5
83.01381	0.6
85.02948	1.5
89.02448	3.6
93.03488	0.7
101.02409	3.1
107.04980	0.7
109.02961	2.0
113.02460	1.6
121.02940	1.3
123.04513	0.6
130.96381	0.6
132.02240	0.6
133.02953	17.7
134.03790	4.5
135.04523	88.0
136.04840	3.8
137.02434	5.0
147.04546	0.8
148.05281	3.3
149.06073	17.6
161.02435	69.0
162.02762	3.2
167.03481	0.8
174.67291	0.6
175.03949	1.2
177.05560	31.7
178.02737	1.8
178.05919	1.4
179.03491	100.0
179.45772	0.5
180.03787	4.1
189.05548	0.7
191.05588	3.6
203.03537	2.6
207.06636	0.6
221.04543	42.5
222.04895	1.9
251.05606	45.7
252.05899	2.9
273.07809	1.2
281.06659	80.9
282.07220	4.4
323.07599	3.3
341.08734	32.2
342.09058	2.2
473.14383	1.2
481.84045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.3
69.94115	0.6
69.94528	1.0
79.57261	0.3
85.20187	0.3
99.20311	0.3
144.92908	0.3
154.76784	0.3
238.94286	0.3
256.66672	0.3
377.28183	0.7
393.31430	0.9
423.32617	0.9
445.94189	0.4
454.38849	0.3
471.34753	100.0
472.35065	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60167	0.3
70.02419	0.7
91.62942	0.3
102.56936	0.3
144.69136	0.3
184.51123	0.3
204.19177	0.3
310.15140	0.3
363.43860	0.3
377.28183	0.3
423.32983	0.5
471.34750	100.0
472.35107	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	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
59.76799	0.4
60.99312	0.4
61.98853	0.4
70.99529	1.0
71.05000	0.6
77.78569	0.4
89.61630	0.4
90.56823	0.4
91.49337	0.4
97.06593	3.7
147.13707	0.4
192.15584	0.4
239.90018	0.4
299.66779	0.4
375.26874	0.7
389.28485	1.6
391.30002	4.2
392.30453	0.6
405.31580	3.4
406.31949	0.8
407.33240	8.6
408.33572	1.0
423.28873	1.0
441.33795	1.4
451.32187	8.3
452.32397	1.3
453.33734	35.6
454.34113	6.1
471.34793	100.0
472.35175	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14344	0.5
53.80293	0.5
54.69962	0.6
59.01341	0.7
61.98816	0.6
64.45137	0.5
70.54066	1.1
78.91020	0.5
96.81294	0.7
159.31578	0.5
252.64987	0.5
318.98441	0.6
322.07254	0.6
351.95200	0.5
407.33255	0.7
427.32333	0.8
439.32025	2.7
441.33707	75.5
442.34149	11.8
453.33539	2.6
469.33273	4.0
470.33655	0.9
471.34894	100.0
472.29114	1.0
472.35202	15.6
489.35159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32846	0.3
62.24813	0.3
71.00877	0.6
71.62579	0.3
84.39807	0.3
99.47311	0.3
103.48672	0.3
113.48360	0.4
187.43021	0.3
262.43155	0.3
278.44235	0.4
280.76202	0.3
376.98120	0.3
471.34750	100.0
472.35092	18.5
472.42075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83872	0.4
79.98837	0.2
89.69204	0.2
92.83052	0.2
102.89924	0.2
189.36081	0.2
332.54468	0.2
407.33212	0.3
420.81067	0.2
471.34741	100.0
472.35092	17.3
486.84659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3113
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
62.92973	0.4
67.12859	0.4
70.53268	1.4
85.52672	0.4
98.20502	0.5
117.59869	0.3
120.11464	0.4
175.48120	0.4
208.92740	0.4
352.55975	0.5
363.26947	0.4
377.28558	0.6
395.68393	0.4
407.29385	0.5
423.29337	0.5
427.28534	2.8
444.76221	0.4
453.33957	0.5
469.33270	1.2
471.31113	100.0
472.31451	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15192	0.2
59.01371	0.3
60.99318	1.4
77.45903	0.3
97.06573	0.4
98.19923	0.8
106.40279	0.3
135.42529	0.2
152.73376	0.3
157.21967	0.3
194.98059	0.3
201.10567	0.3
204.25192	0.3
239.28166	0.3
252.99042	0.3
351.26895	2.6
353.28540	4.6
354.28647	0.5
369.27853	0.3
405.31415	0.5
407.33221	4.5
408.33493	0.7
423.32965	0.3
425.34195	0.6
439.32062	0.5
451.31946	0.4
453.33841	2.8
454.34531	0.3
469.33258	0.8
471.34821	100.0
472.35172	15.8
472.42145	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	471.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01377	100.0
60.01713	1.4
61.98827	15.0
63.93160	0.5
69.03474	1.3
71.01378	12.9
71.53761	0.8
72.99297	0.7
73.02967	1.8
74.02482	0.7
75.39612	0.6
83.01383	1.0
85.02946	3.1
87.00868	1.4
89.02444	12.7
93.03467	2.6
95.01383	1.0
96.96994	0.9
97.06625	0.9
99.00887	0.9
101.02434	6.5
106.06647	2.0
108.02178	1.4
109.02967	2.7
112.04013	0.7
112.07671	0.9
113.02438	5.3
113.99583	0.8
115.00368	0.9
119.03498	5.4
119.05029	0.8
123.04524	0.6
125.02473	2.5
133.03017	1.4
135.04541	2.2
136.04918	1.1
137.02487	1.1
140.07196	0.8
143.03511	0.7
149.06100	0.6
150.05623	2.2
153.01901	1.2
155.08313	1.4
161.02451	2.0
161.04532	2.8
164.07182	1.5
168.00673	0.8
169.01457	2.7
176.97020	0.8
177.05551	4.0
179.03511	1.5
179.05629	1.7
180.03853	0.8
180.84006	0.6
183.07828	1.6
187.11333	0.8
191.05580	4.4
192.06700	1.3
194.04684	0.6
201.05641	0.9
201.11423	0.6
205.12437	1.3
206.96152	0.6
213.19420	0.6
227.06680	4.1
231.13933	3.8
249.11267	0.7
249.15068	2.0
262.08246	0.7
311.57639	0.7
332.12317	1.9
372.12057	0.6
428.15701	0.8
471.18539	2.4
471.25882	1.3
471.34933	3.5
472.14813	1.7
472.34995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98603	2.1
57.31109	2.3
59.01369	3.7
60.41732	2.8
71.52354	2.3
78.95899	3.6
122.81647	2.2
141.81223	2.5
152.99564	2.5
192.53264	2.7
240.29402	2.7
266.80994	2.4
277.21692	56.0
304.28076	2.4
355.62643	2.6
379.35815	2.7
406.72247	2.6
471.34793	100.0
472.35269	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25821	0.6
57.03449	0.7
59.01378	100.0
60.01718	1.2
61.98840	2.0
67.88924	0.6
69.03462	1.0
71.01384	12.2
71.53238	0.8
72.99329	0.9
73.02953	1.3
79.05559	1.1
85.02956	3.0
87.00893	1.4
89.02440	15.6
93.03464	2.1
95.01391	0.7
96.96009	0.6
97.02981	0.7
99.00888	0.8
101.02437	7.9
105.83373	0.6
109.02962	2.2
113.02461	6.2
119.03510	6.0
125.02450	2.8
133.02959	1.5
135.04485	3.4
143.03574	1.2
153.01913	1.2
153.09251	0.6
159.02971	0.7
161.02486	4.3
161.04601	2.4
162.02832	0.7
168.00693	1.1
169.01468	2.8
175.14095	0.7
179.03491	1.3
179.05646	2.1
187.11272	0.8
191.05678	3.0
201.38257	0.6
225.11482	0.7
231.13914	4.4
249.15062	1.9
273.07605	0.7
314.69662	0.7
317.06824	0.7
334.85736	0.6
349.36227	0.6
358.39410	0.6
380.60129	0.7
411.20355	1.3
471.09079	1.1
471.34885	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	471.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
57.83927	0.7
58.00597	1.3
59.01377	25.3
61.98817	1.6
69.03455	1.1
71.01376	16.1
71.52697	1.0
71.53104	1.0
72.99313	2.1
73.02948	1.3
78.69546	0.7
80.96566	0.9
83.01382	1.9
83.05041	2.0
85.02975	3.7
87.00881	1.8
89.02442	15.1
89.84589	0.8
93.03439	1.1
95.01393	1.2
97.02923	1.2
97.06585	2.0
99.00857	0.9
101.02432	13.2
107.01382	1.4
109.02985	1.0
111.04501	2.5
113.02436	5.4
119.03509	5.1
123.00879	2.0
125.02435	12.5
126.02812	2.7
127.02957	1.0
129.05583	17.2
132.02229	1.5
133.02957	19.5
133.06540	0.9
134.03690	1.2
135.04539	10.8
136.04877	1.4
137.02461	1.1
139.04063	1.1
143.03549	0.9
147.04529	8.8
147.06621	4.3
147.09766	0.7
149.99574	0.9
153.20059	0.8
161.02440	68.7
161.06108	3.6
162.02747	4.4
163.02844	1.0
163.04114	0.9
168.00676	2.3
169.01440	18.0
170.01823	3.2
171.01877	1.8
177.04100	1.0
179.03510	8.2
179.05574	1.3
180.03769	1.3
181.96428	0.8
189.05559	2.0
191.05611	3.8
192.05814	0.8
221.04448	1.0
273.17752	1.0
281.06830	0.9
309.11893	100.0
310.12405	5.6
471.15134	57.0
472.15469	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26875	0.5
54.32058	0.6
59.01308	18.4
59.01637	1.8
70.65437	1.4
71.01376	10.2
72.99261	1.1
73.02879	1.5
83.01337	0.9
83.04951	2.2
85.02955	3.9
85.14572	0.5
87.00797	1.0
89.02439	10.7
93.03379	1.2
95.01355	0.7
97.02854	0.9
101.02446	9.8
101.06022	1.4
104.19701	0.6
107.01320	0.8
111.04407	2.2
113.02427	4.4
118.83190	0.6
119.03479	3.1
124.01615	0.9
125.02435	5.0
129.05571	15.0
132.02089	1.8
133.02953	24.2
135.04515	5.4
147.06607	3.9
149.05930	1.0
149.99486	1.0
161.02432	74.5
162.02730	2.9
168.00551	2.2
169.01427	5.0
170.01692	0.6
179.03539	3.7
191.05592	9.3
193.05814	0.7
195.06738	0.6
253.01437	3.0
297.00412	2.7
309.11890	100.0
310.12262	6.2
313.05893	0.7
425.56470	0.7
462.64923	0.6
471.15225	53.1
472.15594	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	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01379	6.0
61.98829	2.2
69.03446	0.5
70.41548	0.8
70.41924	0.8
71.01376	2.4
72.99295	0.6
73.02942	0.9
78.95904	2.3
85.02959	5.5
87.00876	0.6
89.02434	1.3
93.03468	0.9
94.92818	0.4
97.02965	0.5
101.02441	1.3
103.04018	5.6
105.84128	0.5
107.05058	1.1
113.02416	0.9
119.03581	0.9
121.02883	0.5
130.75981	0.4
133.02936	0.6
134.03729	3.9
135.04520	96.1
135.11766	0.6
136.04845	3.4
152.99582	0.5
160.58714	0.4
161.02449	1.8
161.09724	1.1
178.02713	0.6
179.03490	100.0
179.10759	4.3
180.03838	4.6
189.53632	0.5
191.05623	6.1
203.10808	0.5
221.11826	1.2
237.09113	0.6
247.08147	0.7
265.09100	2.4
266.96994	0.6
276.84525	0.5
325.10501	0.6
339.07410	0.6
353.10181	1.7
374.06305	0.5
427.19702	17.3
428.20175	1.5
471.12714	0.9
471.18240	3.5
471.34903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
61.98827	15.2
69.03446	0.5
71.01369	2.7
73.02956	0.9
73.59456	0.5
82.83990	0.4
83.01397	0.4
85.02957	1.4
87.00878	0.6
89.02444	0.8
91.06734	0.4
93.03462	2.4
94.03811	0.5
96.96007	0.4
101.02441	1.4
109.02958	0.7
113.02447	1.2
117.03457	13.0
118.03744	0.5
119.05022	100.0
120.05367	3.5
125.02444	1.0
133.02945	2.2
135.04510	1.5
137.02405	0.6
145.02948	61.6
146.03329	2.4
147.04581	0.6
152.21346	0.4
159.04575	0.5
161.02449	6.2
161.04474	0.5
161.06036	0.9
163.04002	57.5
164.04347	2.2
169.01419	1.2
173.04602	0.7
175.07603	0.5
175.11490	0.4
179.03442	1.0
187.03984	0.8
188.16603	0.5
191.05617	3.5
192.06059	0.4
193.06030	0.7
202.32527	0.5
211.13385	1.4
223.04695	0.4
247.06090	0.6
249.11111	0.5
307.08200	41.8
308.08517	2.5
332.12149	1.0
409.14972	4.0
471.12817	16.9
471.17700	0.8
471.35339	2.2
472.13306	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	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98831	2.1
69.03447	0.5
70.44296	0.9
71.01372	1.6
73.02946	0.3
78.95904	1.8
79.08727	0.2
85.02956	2.3
87.00900	0.5
89.02460	1.1
91.05529	0.5
93.03473	1.0
94.47695	0.3
97.02947	0.9
98.20005	0.3
101.02453	1.1
103.04003	1.9
103.08756	0.3
107.05033	1.1
109.02951	0.4
110.16445	0.2
113.02453	0.4
117.03451	0.4
119.03461	0.5
120.39288	0.3
120.84720	0.3
133.02966	0.7
134.03734	4.0
135.04521	97.6
135.11792	0.4
136.04843	3.8
137.02440	0.7
147.04524	0.5
161.02434	1.2
161.09750	0.4
173.04503	0.4
178.02689	0.6
179.03490	100.0
179.10663	1.5
180.03830	4.6
191.05606	4.4
192.06058	0.3
194.99236	0.3
201.05730	0.3
221.11797	0.5
237.09169	0.8
238.09621	0.3
265.09250	0.6
295.06305	0.3
339.07281	0.5
353.10083	0.4
373.11780	0.3
388.32486	0.3
427.19641	4.6
428.20093	0.6
453.15475	0.4
471.18338	1.2
471.35364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
61.98827	15.2
69.03446	0.5
71.01369	2.7
73.02956	0.9
73.59456	0.5
82.83990	0.4
83.01397	0.4
85.02957	1.4
87.00878	0.6
89.02444	0.8
91.06734	0.4
93.03462	2.4
94.03811	0.5
96.96007	0.4
101.02441	1.4
109.02958	0.7
113.02447	1.2
117.03457	13.0
118.03744	0.5
119.05022	100.0
120.05367	3.5
125.02444	1.0
133.02945	2.2
135.04510	1.5
137.02405	0.6
145.02948	61.6
146.03329	2.4
147.04581	0.6
152.21346	0.4
159.04575	0.5
161.02449	6.2
161.04474	0.5
161.06036	0.9
163.04002	57.5
164.04347	2.2
169.01419	1.2
173.04602	0.7
175.07603	0.5
175.11490	0.4
179.03442	1.0
187.03984	0.8
188.16603	0.5
191.05617	3.5
192.06059	0.4
193.06030	0.7
202.32527	0.5
211.13385	1.4
223.04695	0.4
247.06090	0.6
249.11111	0.5
307.08200	41.8
308.08517	2.5
332.12149	1.0
409.14972	4.0
471.12817	16.9
471.17700	0.8
471.35339	2.2
472.13306	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	471.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00969	2.0
58.00598	2.4
58.10005	1.4
59.01381	21.0
60.09123	1.6
61.98825	3.1
63.37968	1.5
67.62498	1.8
67.70918	1.5
69.03458	3.4
71.01389	14.1
71.52305	1.6
71.70119	1.5
72.88261	1.7
72.99316	2.5
73.02954	3.6
78.95894	6.3
81.03431	1.6
83.01392	1.7
83.05012	1.6
83.43045	1.6
85.02941	5.7
87.00869	2.7
89.02432	7.3
93.03471	5.0
95.01392	3.3
95.05002	6.2
96.95967	2.4
96.96947	14.4
97.02924	4.4
99.00873	2.9
101.02445	10.1
105.07130	2.2
107.01381	6.9
107.05064	2.0
108.02187	2.8
109.02950	9.6
109.06588	2.4
113.02439	6.6
113.06087	30.4
119.03498	2.8
123.00882	13.6
123.04545	2.5
123.08169	3.0
124.01650	5.6
125.02447	98.1
126.02747	3.1
127.07631	6.9
129.05573	2.6
131.03502	2.0
133.02956	24.8
135.04518	30.7
135.08127	2.5
137.02469	2.2
137.06065	16.8
139.00307	2.6
139.03987	4.8
149.06047	4.1
149.99614	2.3
151.00337	5.0
152.01169	3.2
153.01888	6.6
155.07126	2.4
157.05038	32.3
158.05319	2.3
159.03006	1.7
161.02438	77.2
161.04573	3.6
162.02756	2.9
167.07114	3.5
168.00644	9.9
169.01421	100.0
170.01740	5.4
173.04482	3.5
174.42653	1.6
179.03488	23.8
180.64122	1.7
181.05080	1.7
191.05623	21.3
192.06010	2.1
197.08168	3.9
211.02463	5.3
229.07204	7.7
259.08185	21.2
279.14429	7.2
281.06699	2.1
287.07748	7.1
295.02347	2.1
309.11914	19.9
313.05487	3.2
319.06540	2.0
319.10281	33.0
320.10663	1.9
323.01987	5.6
331.06723	9.0
381.02481	5.0
388.36475	1.7
427.08032	1.4
427.12396	13.3
428.12186	1.7
453.10397	3.9
455.65823	1.9
471.11194	44.8
471.15652	27.7
471.34586	8.8
472.11060	3.0
472.16290	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	470.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
61.98829	30.6
66.12658	0.7
66.43472	0.7
67.01883	1.5
69.03455	5.5
69.72315	2.8
69.72720	1.4
71.01377	2.6
74.46431	0.7
78.95922	2.4
81.21288	0.7
85.02966	0.9
87.00904	1.3
89.02457	1.3
93.03455	4.3
94.03761	1.1
94.12700	0.8
98.19900	1.4
101.02435	0.8
104.35836	0.7
107.05035	1.0
111.04506	1.2
117.03444	1.0
133.02943	4.5
133.92976	0.8
134.03745	5.2
135.04523	92.6
135.92749	0.7
136.04852	1.6
147.04529	1.6
161.02449	14.1
162.02779	3.6
169.01494	0.9
174.04890	1.0
178.02780	0.9
179.03493	100.0
180.03885	1.2
191.05582	4.6
227.18083	0.9
261.07608	4.5
331.11877	36.6
332.12115	3.4
363.14511	2.0
374.06088	1.8
438.20322	1.0
451.16492	0.8
452.15375	2.0
470.21350	5.7
471.12845	5.0
471.31241	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	471.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65963	0.4
59.01383	2.3
63.62239	0.4
69.03455	1.9
71.01371	1.4
71.18951	0.8
71.98006	0.4
78.95901	56.1
79.95712	0.7
85.02931	0.5
89.02436	1.5
90.70409	0.4
91.59959	0.5
96.96038	16.4
96.96957	100.0
97.02933	2.5
97.93121	0.6
101.02438	0.5
108.02204	0.6
109.02925	0.8
113.02415	0.6
119.03486	0.5
123.39378	0.6
125.02474	1.2
133.02896	0.5
135.04477	0.6
147.06645	0.9
149.06075	1.1
153.01910	0.4
161.02467	0.6
163.38133	0.4
169.01419	0.7
179.05666	0.5
191.05640	0.7
193.05032	2.1
242.15636	0.5
315.07330	0.5
373.11365	5.6
419.39594	0.5
471.11081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68084	1.3
53.72522	1.4
54.94514	1.7
56.87177	1.4
59.01376	7.6
61.98829	100.0
63.66811	1.4
67.01886	3.2
68.02212	1.6
69.03452	12.3
69.27564	3.6
69.27975	12.0
71.01389	4.3
71.48027	1.4
73.06936	1.4
78.95925	2.3
80.73048	1.5
82.16521	1.6
85.02937	3.2
87.00887	3.4
89.02429	2.5
93.03464	19.4
94.03790	7.0
94.98105	2.0
95.04016	1.6
111.04475	2.8
120.99661	1.8
125.02427	1.7
133.02901	2.3
134.03705	3.1
135.04526	35.1
136.04813	3.1
153.12054	1.9
161.02478	9.8
165.01971	1.7
169.01411	2.8
173.04549	6.5
173.05849	1.6
174.04875	4.1
175.05092	2.9
179.03496	32.5
180.03860	2.0
181.03746	2.3
181.74112	1.7
191.05602	18.8
192.05957	3.5
194.06415	1.9
221.82242	1.6
227.06725	1.9
261.05338	1.8
261.07681	6.0
322.90277	1.8
331.11841	41.5
332.12161	3.2
452.15256	15.2
470.16342	4.9
471.31519	1.9
482.10602	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	470.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27100	0.7
59.01373	2.3
61.98831	100.0
67.01871	0.9
69.03459	8.9
69.17371	7.1
71.01413	1.3
78.95904	0.7
85.02945	0.9
87.00905	1.2
87.52384	0.8
93.03458	4.5
94.03815	2.3
95.05048	0.8
107.05007	0.8
109.02990	0.8
112.31387	0.7
117.03500	1.0
119.05044	6.2
125.02499	1.1
133.02992	2.6
134.03743	1.1
135.04539	31.9
136.04858	1.5
139.52895	0.8
145.02968	4.3
151.07649	1.0
161.02440	10.9
162.02763	1.0
163.04036	3.3
173.04561	1.9
179.03502	34.9
180.03841	1.3
191.05638	5.4
192.05984	1.2
243.04868	1.4
245.64717	0.6
261.07629	12.8
289.14566	0.7
305.71579	0.8
307.08109	3.7
313.10809	1.3
331.11856	43.8
332.12259	3.4
385.65207	0.8
450.15518	0.8
451.15311	1.0
452.15610	3.2
469.22070	0.9
470.16211	1.6
471.12949	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
57.01486	0.5
74.57516	0.3
78.66940	0.4
82.74946	0.4
98.20684	0.8
104.40389	0.4
133.60510	0.4
253.77673	0.5
263.24377	0.4
290.19333	0.4
293.29153	0.4
301.25769	0.4
352.95483	0.4
358.50937	0.4
360.27328	0.4
377.28415	0.5
423.32410	0.4
445.10919	0.4
469.33194	100.0
470.33539	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	470.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00948	0.8
59.01376	4.4
61.98828	100.0
69.03455	6.0
71.01373	2.2
71.53693	1.2
72.99329	1.0
73.02927	1.3
74.28139	0.9
85.02930	1.3
87.00914	1.5
89.02435	1.3
93.03457	4.1
94.03788	1.3
99.00898	1.0
101.02444	1.6
109.05993	0.8
117.03476	5.5
119.03612	1.5
119.05025	21.7
125.02443	9.1
133.02930	6.9
134.03671	1.3
135.04523	21.9
136.04822	1.5
137.02364	1.5
145.02928	11.7
161.02434	19.1
162.02734	1.1
163.03998	20.0
168.00603	2.7
169.01407	15.9
179.03499	19.0
191.05574	5.1
192.05922	2.1
193.05997	2.0
249.11267	1.0
261.07678	4.6
285.03757	1.7
307.08170	7.3
313.10693	1.1
331.11844	24.5
332.12155	2.8
376.99997	1.0
432.10059	2.6
452.15677	1.0
470.16507	2.7
471.02719	1.1
471.12976	4.6
471.19028	5.5
471.34872	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	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57152	0.2
59.06236	0.2
62.46159	0.2
69.23837	0.9
69.24252	0.7
82.17685	0.2
96.91460	0.2
103.70164	0.2
136.24194	0.2
163.11279	0.3
169.01407	0.3
213.31090	0.2
244.27014	0.2
287.84988	0.2
306.21774	0.2
337.21609	0.2
360.93094	0.2
377.28442	0.4
393.31424	0.8
394.32108	0.2
406.08450	0.2
407.29413	0.3
421.31314	0.3
423.32813	1.0
469.33185	100.0
470.33539	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	469.2958
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
50.67206	0.9
57.03431	1.4
60.99272	3.6
61.98803	1.5
71.52536	1.5
80.65292	0.8
96.67564	0.9
99.04487	1.0
125.02441	6.5
169.01401	6.2
195.79156	0.8
339.83286	0.8
363.26492	2.1
389.28351	1.3
391.26266	1.2
407.29526	10.8
423.28815	2.8
429.76593	1.0
451.28110	1.5
469.29163	100.0
470.29480	16.0
470.39783	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	469.3317
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
58.00599	1.0
59.01391	0.3
63.65849	0.1
70.73454	0.3
71.01395	0.3
73.02930	0.4
79.31734	0.2
87.57062	0.2
94.24887	0.2
95.86019	0.1
97.06577	1.5
118.28091	0.2
121.03016	0.1
123.00909	0.2
125.02448	0.7
149.09677	0.2
153.09203	0.4
160.84169	0.2
162.15009	0.1
169.01457	1.2
169.24506	0.2
371.27460	0.2
372.24615	0.2
374.26428	0.2
377.07730	0.2
381.28009	0.3
387.30630	1.0
389.28516	3.2
390.28729	0.4
403.30301	0.3
405.31906	0.5
406.28674	4.5
407.29404	1.6
421.31235	2.9
422.31354	0.4
423.32678	9.3
424.32904	1.4
439.28445	1.2
455.31717	0.4
467.31781	0.5
468.32208	0.2
469.33194	100.0
470.33542	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	469.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49026	0.1
59.01373	0.1
71.30170	0.2
77.03946	0.1
78.34828	0.1
81.03456	0.5
89.03970	2.4
93.03471	0.3
95.05039	0.2
104.02705	0.6
105.03460	4.0
106.03784	0.1
107.01406	0.3
109.02941	0.1
109.05242	0.1
115.56033	0.1
121.02960	0.2
121.67159	0.1
125.02444	0.1
133.02956	10.2
134.03273	0.4
147.04529	2.2
148.01646	0.6
149.02446	1.1
166.28297	0.1
176.01178	1.1
177.01923	100.0
178.02264	4.7
202.79564	0.1
405.17188	0.1
469.11356	7.8
470.11682	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	467.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01548	0.6
59.01379	1.9
60.99294	2.1
65.07121	0.6
67.01897	3.0
69.03464	1.2
71.01376	3.1
72.99303	7.4
73.22767	0.5
81.03446	0.7
81.06448	0.6
83.05023	0.8
85.02948	7.7
86.51564	0.6
87.00888	5.5
93.03450	27.1
94.03804	0.6
95.01434	0.6
97.06610	1.2
98.19941	1.4
109.03004	0.9
111.04512	5.8
121.02935	1.1
125.02417	1.1
127.04008	2.5
129.01927	0.7
131.93854	0.6
134.03716	0.8
137.02397	0.8
146.03720	1.3
147.04472	1.0
149.06081	0.6
151.04050	0.9
153.01924	0.8
155.03464	2.2
159.04457	1.2
173.04543	14.6
173.06010	1.4
174.03233	1.2
174.04784	0.8
174.06683	0.8
175.07664	2.2
176.04764	2.6
177.05428	0.6
177.09190	7.7
187.07629	6.6
190.06348	1.6
191.05597	100.0
192.06023	3.9
201.05620	0.8
202.06383	3.5
203.06929	3.1
205.08678	5.3
213.09143	1.1
215.07152	1.5
219.10292	3.4
229.38802	0.8
231.10249	9.6
233.06516	0.9
249.11278	8.7
257.08237	2.3
275.09259	5.5
293.10297	12.1
294.10449	1.1
350.50516	0.7
449.14624	1.2
467.09283	1.8
467.15521	51.2
468.15863	6.5
478.09335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44057	0.6
57.91272	0.4
61.98819	1.0
67.20962	0.5
68.61691	0.5
69.85163	2.7
79.95728	2.5
85.02936	1.4
87.00873	0.7
92.51392	0.5
93.03448	1.7
96.96006	100.0
98.19989	1.0
120.13243	0.4
127.03998	0.5
135.04533	2.8
161.02512	0.8
173.04546	1.2
191.05597	30.3
192.05931	1.2
279.51605	0.5
305.61816	0.5
353.08801	1.5
371.05084	1.0
371.09760	13.3
371.14154	1.0
372.10284	0.8
451.05484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51688	1.1
79.95728	2.3
85.02935	1.5
87.00853	0.6
93.03455	2.0
96.11245	0.6
96.96007	100.0
135.04477	1.4
161.02483	0.9
173.04535	1.6
191.05602	36.3
192.05911	0.9
300.27155	0.7
318.92819	0.6
319.11743	0.6
353.08530	1.4
371.09824	14.5
371.14203	1.2
372.10297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99815	1.1
59.01376	2.9
60.99296	2.4
61.98830	1.9
67.01882	8.0
69.03441	2.9
69.38293	3.5
69.38712	5.4
71.01380	4.6
76.15534	1.1
81.03436	1.9
83.05035	2.3
85.02948	13.5
87.00868	18.4
93.03459	74.6
99.00832	1.7
99.04520	1.5
100.38152	1.1
108.02191	2.9
109.02980	6.9
111.04517	9.6
112.94527	1.1
127.03999	1.5
129.01920	3.3
133.02931	2.7
133.25368	1.1
134.03746	15.3
135.04559	8.3
136.01666	8.4
137.02446	66.4
138.02737	2.3
143.03578	1.4
151.04007	3.2
153.01886	1.9
154.02718	8.2
155.03464	2.4
160.01646	4.7
161.02444	1.9
171.02986	8.2
172.03696	1.8
173.04546	48.2
174.04808	1.6
177.01913	3.9
178.02737	9.4
179.03432	3.8
189.04028	3.4
191.05603	100.0
191.65916	1.3
192.05943	4.3
197.38100	1.1
228.24675	1.2
231.05130	3.7
231.10187	2.8
232.05888	8.4
233.06593	6.2
247.90706	1.3
257.08136	6.2
264.04794	4.9
275.09323	2.7
293.10333	3.2
352.07965	1.8
370.09012	15.0
371.09558	1.2
449.14496	20.2
450.14856	2.2
467.08771	2.5
467.15518	44.8
468.15955	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	467.1557
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
50.20314	0.8
52.01955	0.9
55.90486	0.8
57.03431	2.3
59.01371	1.2
60.99302	5.0
67.01889	15.6
69.03458	4.3
69.15939	2.1
69.16348	7.8
71.01381	4.6
79.39954	0.8
81.03442	2.8
83.05013	2.4
85.02932	2.4
87.00872	19.9
93.03455	100.0
94.03794	3.3
99.00872	2.3
99.04492	1.9
103.50444	0.8
109.02924	1.7
111.04513	12.7
113.02454	1.4
115.04012	1.1
124.01628	1.3
129.01904	2.1
130.26030	0.9
133.02969	6.6
134.03735	12.5
134.46913	1.0
135.04517	23.6
137.02426	3.1
143.03401	1.5
150.03206	1.2
151.03987	3.6
155.03455	2.3
160.01616	5.3
161.02289	0.8
162.03241	0.9
171.85204	0.8
173.04533	48.1
174.04913	1.6
177.01851	3.2
178.02687	6.4
179.03488	8.8
180.04005	1.5
191.05600	44.4
192.05875	1.2
195.64835	0.9
252.46356	0.8
257.08170	4.7
275.09198	2.6
293.10281	1.0
307.08115	1.2
308.09009	4.0
351.07196	2.9
352.07886	4.9
449.14474	66.6
450.14801	8.0
467.08820	1.5
467.15540	32.1
468.16095	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	467.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51734	0.5
52.21366	0.5
52.30912	0.5
53.15064	0.5
54.13686	0.5
59.01370	1.6
60.99295	1.0
63.55442	0.5
67.01891	3.6
69.03449	1.2
71.01378	1.6
72.99294	4.3
81.03436	0.8
83.05026	0.9
85.02944	7.3
87.00876	6.1
93.03453	26.0
109.02940	1.7
109.91502	0.5
111.04513	4.5
121.02985	0.6
122.03723	1.0
123.91161	0.5
125.02449	1.1
127.04019	2.2
129.01913	0.6
134.03728	0.9
137.02437	7.0
155.03542	0.8
159.04494	1.7
169.01385	1.3
172.05258	0.8
173.04549	14.2
173.06027	1.1
174.03305	0.9
174.04794	0.7
174.06844	2.1
187.03998	1.7
187.07608	4.1
188.04758	1.8
191.05611	100.0
192.05954	3.4
202.06258	1.3
202.10002	1.5
203.07101	0.9
203.10777	6.6
205.08675	1.2
213.09193	1.2
215.07268	0.9
219.10181	1.2
231.10233	12.0
232.10710	0.7
249.11125	1.1
257.08157	4.2
275.09171	3.9
293.10391	3.6
300.99582	0.7
313.08496	0.5
329.12192	0.9
337.03357	0.6
449.14432	3.2
467.15582	24.9
468.15884	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	467.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77499	1.3
55.85946	1.4
56.54882	1.5
57.03430	2.1
57.15104	1.3
59.01366	6.7
60.99298	2.4
67.01884	7.4
68.54132	1.4
68.99803	3.0
69.03454	2.8
69.81560	3.2
69.81980	4.1
69.86466	1.3
71.01376	8.6
72.99303	3.4
73.02943	1.9
81.03448	3.8
83.01381	2.9
85.02943	13.5
87.00877	17.0
93.03452	52.2
95.01367	2.0
99.00867	5.7
99.04543	1.3
101.02409	1.7
109.02929	7.0
111.00859	2.8
111.04514	8.8
113.02467	7.9
113.99574	17.0
115.00395	8.4
127.00346	3.5
127.03997	2.1
129.01932	4.1
133.02921	2.6
134.03725	11.0
135.04451	2.9
136.01671	3.4
137.02425	13.2
145.63661	1.4
147.04509	34.9
151.03972	2.7
153.01895	1.9
155.03471	3.7
157.01381	3.1
159.04489	1.6
169.01402	1.6
171.03004	2.0
173.03133	2.6
173.04546	37.5
174.01680	16.9
175.02507	2.2
178.02625	3.2
191.05600	82.0
192.05920	2.0
195.02924	1.9
210.08875	1.3
231.10147	1.7
232.05910	1.7
257.08127	5.8
259.04437	1.7
275.09201	2.0
293.10327	8.9
327.18567	1.5
370.08853	2.4
407.09805	15.4
449.14685	8.2
467.11145	100.0
468.11874	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	467.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
60.99305	1.2
66.76391	0.4
67.01888	3.4
69.03442	1.0
69.36290	3.5
70.26701	0.4
71.01368	2.1
72.99301	2.0
80.58480	0.4
81.03446	0.9
83.05019	0.8
85.02942	9.0
87.00874	6.2
93.03451	25.9
97.07790	0.4
99.00874	0.6
99.04529	0.8
109.02933	2.5
111.04510	5.8
119.05006	1.0
123.00861	0.7
124.01669	1.4
125.02451	3.9
127.04008	1.9
129.01917	0.6
134.03618	0.4
137.02451	1.0
146.03720	0.9
149.99582	1.6
151.03928	0.4
153.01900	2.0
155.03531	1.4
159.04535	0.7
161.02414	1.0
162.03229	0.5
163.04004	0.8
168.00627	4.7
169.01395	1.3
171.02998	0.6
172.05301	0.5
173.04538	11.5
173.05939	0.6
174.03186	1.5
176.04782	3.2
177.09190	5.0
187.04034	0.5
187.07626	4.5
188.04796	0.6
190.06378	1.3
191.05592	100.0
192.05972	3.8
200.04753	0.8
201.05447	0.5
202.06329	1.7
203.07098	2.3
203.10748	0.8
205.08661	4.4
213.09210	0.7
215.07043	1.3
231.10225	5.4
233.06450	0.9
233.08469	0.6
249.11278	5.8
250.11662	0.5
257.08234	2.9
275.09216	5.1
293.10272	3.1
302.54636	0.4
331.06683	1.7
332.06998	0.5
381.83176	0.5
416.26749	0.5
449.14355	1.9
467.08347	5.3
467.15460	45.4
468.15790	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	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17884	0.7
55.31065	0.7
55.63555	0.7
59.01368	3.3
67.01889	1.8
69.03446	1.4
71.01373	4.5
73.02922	1.1
79.01862	1.0
81.03448	1.2
85.02949	4.7
87.00885	2.0
93.03453	10.1
95.01390	2.8
97.02933	1.5
101.02406	1.9
107.01391	5.0
108.02172	26.0
109.02966	15.4
111.00863	1.9
111.04486	2.3
113.02428	1.5
123.00874	10.3
123.04438	1.0
125.02446	25.4
127.00428	1.1
127.04037	1.3
135.00858	1.0
135.04526	0.8
136.98805	1.6
139.00381	3.5
140.01117	2.3
141.01918	1.1
151.00378	6.8
151.04001	2.1
152.01154	33.0
153.01939	8.8
155.03493	1.4
163.03992	1.1
165.01761	1.0
166.64699	0.7
168.00627	3.1
169.01427	37.5
170.01747	1.7
173.04552	9.1
173.05963	0.9
175.07622	1.4
176.04721	3.9
177.09206	7.9
179.46654	0.7
187.04033	0.9
187.07643	5.5
191.05608	48.1
192.05975	1.4
193.01360	1.1
193.98509	5.1
194.99457	0.9
202.06297	2.6
205.08672	5.5
211.02451	1.4
231.10327	4.5
249.11320	16.9
250.11646	1.1
253.03416	0.8
257.08139	2.4
275.09244	3.1
293.10306	2.6
313.05695	7.5
315.07217	13.4
415.81909	0.8
423.09341	21.6
424.09656	2.6
449.07126	1.7
449.14410	1.8
467.08224	100.0
467.15378	20.6
468.08655	12.4
468.15729	1.9
471.83960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39260	0.8
53.79840	0.9
57.03446	1.5
59.01368	2.9
60.99303	6.2
64.21700	0.8
67.01888	13.4
69.03460	3.9
69.45008	6.6
71.01376	7.0
72.29673	0.9
75.85783	0.9
81.03458	3.9
83.05035	1.6
85.02937	6.5
86.28579	1.0
87.00876	20.0
93.03457	100.0
94.03774	2.5
97.06598	1.4
99.00873	1.7
99.04530	2.0
109.02950	3.1
111.04522	13.7
113.02459	1.7
127.04058	0.9
129.01953	2.7
131.75749	1.0
133.02946	6.7
134.03732	22.2
135.04541	12.8
136.01627	0.8
136.34010	0.9
137.02448	10.2
143.03500	0.9
151.04004	1.6
154.02698	1.1
155.03488	4.1
160.01627	2.8
161.02432	2.9
165.39076	1.1
173.04539	64.5
174.04846	1.9
177.01854	5.5
178.02679	11.9
179.03479	6.2
191.05603	79.2
192.05865	2.3
196.03616	1.0
227.03542	1.9
229.04884	1.3
231.10309	2.7
255.03000	6.7
256.03464	0.9
257.08066	4.7
275.09247	5.5
284.03253	6.0
285.04068	6.5
293.10336	10.9
308.09021	1.5
351.07178	2.1
352.08032	2.3
431.09573	9.9
432.10080	1.6
449.14536	44.8
450.14990	3.8
467.08896	1.9
467.15533	38.1
468.15793	5.5
480.94366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56672	0.6
55.01864	1.3
57.03425	1.1
57.23874	0.6
59.01379	50.6
61.98818	1.9
69.03457	0.8
69.26595	2.0
69.27016	4.6
71.01385	13.4
73.02934	3.5
74.02440	0.6
83.01386	3.7
85.02956	8.0
87.00896	1.0
89.02424	3.1
93.03451	2.1
95.01352	2.4
95.05020	1.2
97.02920	1.5
99.00885	2.2
101.02438	12.0
102.80112	0.6
109.02949	5.7
110.56709	0.9
111.00890	1.1
112.04236	0.7
113.02449	5.1
113.06070	1.3
119.05022	21.7
123.00865	2.2
124.01657	2.8
124.73182	0.7
125.02443	11.0
133.02933	3.0
135.04523	1.9
137.02423	1.9
137.06078	1.5
139.04018	1.3
148.02048	0.7
149.99559	6.2
151.00359	2.0
151.03978	0.9
152.00839	0.6
153.00842	0.8
153.01909	3.7
161.02412	7.9
161.04532	1.7
163.02757	1.1
163.04016	14.4
168.00650	9.5
169.01367	2.8
173.04489	1.0
179.03505	1.3
187.09724	0.8
191.05621	12.9
196.86868	0.7
223.06004	1.0
243.19652	1.3
273.07751	1.3
301.03400	1.6
301.09171	0.9
302.03787	1.5
303.04050	3.1
303.21738	2.7
311.81265	0.7
315.07297	2.2
322.09531	0.7
405.24777	2.6
447.08997	1.2
447.25842	4.2
465.09814	15.5
465.27008	100.0
466.10477	1.5
466.27338	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	465.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
69.03452	2.5
69.31924	4.8
71.93013	0.5
78.95893	2.6
85.02921	1.1
93.03447	1.4
96.95988	0.9
98.19870	0.6
99.36602	0.5
101.00934	0.9
111.49377	0.6
117.00471	0.8
122.97798	0.5
125.00943	1.3
126.98866	3.3
127.02509	4.2
140.12642	0.5
141.00432	0.7
141.04073	1.6
149.01007	0.7
151.02525	2.2
153.00439	2.6
155.01987	0.7
160.49323	0.5
163.46144	0.6
167.01976	1.8
168.99947	3.4
169.03572	2.1
177.00391	1.0
191.05586	6.8
193.03560	1.1
194.99667	1.2
195.01462	16.7
196.01649	1.0
198.90509	1.0
211.01019	0.6
212.83522	0.5
213.02556	4.7
223.00940	1.5
229.05681	1.7
231.03584	49.1
232.03780	3.5
249.02477	1.7
255.03619	1.5
257.05173	1.0
273.04660	26.8
274.04752	2.6
278.87292	0.7
281.05246	1.0
283.03220	1.2
299.06192	4.0
301.04132	9.7
302.04288	0.8
309.04614	2.2
313.13348	0.6
327.05719	10.5
328.05917	1.3
332.96960	0.9
335.12347	0.6
369.02026	1.0
369.06607	4.6
387.07782	22.2
387.12674	1.3
388.08167	2.7
405.08862	100.0
406.09094	13.5
422.32529	0.6
429.05225	1.0
465.10913	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56817	0.5
57.03453	0.7
59.01379	100.0
60.01711	0.9
69.68867	0.4
69.80685	2.0
70.64198	0.5
71.01380	5.3
77.60182	0.4
79.58992	0.4
81.07084	0.4
85.02976	0.8
89.02447	10.9
95.01395	0.5
98.20630	0.5
101.02441	3.8
113.02477	2.3
119.03493	4.8
125.02463	1.3
143.03522	1.3
161.04573	0.9
175.04051	0.4
179.05637	3.3
191.05685	0.8
285.04144	1.6
405.21164	2.6
483.36935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
55.01860	0.7
57.03421	0.6
59.01377	15.5
61.98813	1.6
69.03445	4.6
69.31309	2.1
69.31735	3.5
71.01372	5.0
72.99303	0.8
73.02946	1.5
74.02467	2.7
79.01883	1.6
81.03446	1.8
83.01375	2.7
85.02957	3.4
88.98814	1.0
89.02421	1.9
90.82541	0.6
93.03465	3.3
95.01374	1.5
97.02950	6.0
99.00909	0.7
101.02435	4.2
107.01377	2.0
107.66196	0.7
108.02170	1.1
109.02943	2.5
113.02432	2.1
113.06055	1.5
119.03654	0.9
119.05021	19.2
120.05332	0.8
121.02938	1.8
123.00885	10.3
124.01660	23.3
125.02444	62.2
126.02817	1.3
133.02991	1.4
135.04486	1.8
136.01724	0.7
137.02440	4.2
137.06113	1.0
139.03990	2.2
143.90250	0.7
149.02403	0.9
149.99582	39.9
151.00334	4.1
151.03993	3.0
153.01898	1.3
161.02409	2.6
161.04562	0.8
163.04008	12.2
167.03510	1.3
168.00633	63.5
169.01347	7.8
170.07236	1.5
177.01895	0.9
179.03448	0.9
191.05598	14.4
192.05865	1.0
230.07579	0.7
253.10870	3.0
255.12590	0.9
273.07584	1.6
285.20502	0.8
302.03302	1.7
303.04221	0.7
303.21732	1.4
313.05768	3.6
431.15582	1.9
447.09100	3.5
465.10263	100.0
465.27051	24.6
466.10651	12.6
466.27237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1052
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
55.01860	0.8
57.03446	11.9
59.01378	13.2
61.98810	2.9
62.96589	0.5
64.99972	0.6
65.00315	2.0
67.01881	0.9
71.01386	9.4
71.53052	0.9
72.01723	1.1
72.99304	1.1
73.02941	1.9
74.36007	0.5
75.00860	1.4
81.03453	1.0
81.65822	0.6
83.01380	4.4
84.91652	0.6
85.02939	4.4
87.00876	2.2
89.02444	10.1
90.02808	1.6
91.02875	0.6
93.03465	4.3
95.01388	4.3
96.95975	0.9
99.00879	2.5
101.02448	5.1
102.02785	1.1
103.02918	0.6
107.01380	4.3
107.05025	0.6
108.02177	1.5
109.02943	7.5
110.00151	0.5
111.00877	2.6
113.02436	3.1
115.15453	0.5
119.03493	0.9
119.05009	0.6
121.02946	2.4
123.00887	4.5
123.04542	3.4
124.01672	7.6
125.02442	100.0
126.02789	3.2
127.04048	0.7
131.03477	1.3
133.02969	0.9
135.04494	1.7
137.02464	3.8
139.00357	2.3
139.03984	1.0
143.03488	0.9
147.04539	1.5
149.02493	4.6
149.04555	4.2
149.99704	0.6
150.03206	3.9
150.04915	1.5
151.00352	10.0
151.03963	5.0
151.04982	0.8
152.01151	15.2
153.01970	5.6
159.04573	0.9
161.02438	1.6
161.04626	1.3
161.06030	0.9
163.00354	1.1
163.03970	1.0
165.02000	1.0
165.05511	0.7
168.00668	1.4
169.01405	7.0
171.04495	0.6
172.05319	1.1
173.04556	2.6
173.05966	1.1
174.03244	2.3
175.03996	7.2
176.01176	3.3
177.01895	3.3
178.99858	6.2
179.03633	0.6
179.05424	0.7
181.01526	1.0
185.06107	0.8
188.04788	2.9
189.05573	4.6
191.03619	2.1
191.05603	24.5
191.07112	1.2
192.05902	1.2
193.04996	4.4
199.03979	1.5
200.04712	0.8
201.09090	0.7
203.03497	0.6
203.07152	1.6
213.05574	0.8
215.07112	1.1
216.04169	0.9
217.05051	10.8
219.02997	0.8
229.05061	0.7
229.08717	2.2
231.06618	2.3
235.06067	0.8
241.05144	1.8
247.09808	1.3
257.04550	1.8
258.05295	0.8
259.06070	11.7
260.06494	0.7
273.07535	2.8
274.04898	1.7
275.05566	8.3
284.03275	1.9
285.04010	26.1
285.08774	1.1
286.04437	2.5
291.08856	1.5
303.05072	10.7
313.05692	2.7
333.19025	0.9
405.21213	0.9
421.11505	2.5
437.10870	18.6
438.11356	2.1
447.09137	7.7
464.22333	1.2
465.10471	73.4
465.21710	1.8
466.10757	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	465.1035
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01880	0.9
56.37801	0.7
57.03448	6.4
59.01381	40.8
61.98822	1.4
65.00323	2.2
68.31729	0.8
69.03457	1.0
70.43800	2.9
71.01382	16.4
72.99314	2.1
73.02948	0.9
80.22172	1.0
81.03431	1.9
83.01381	5.0
85.02943	6.9
87.00865	3.1
89.02450	18.3
89.03003	1.1
93.03437	3.7
94.98106	0.8
95.01369	3.5
96.96020	1.8
97.02950	1.0
99.00913	0.9
101.02440	9.7
107.01392	9.3
109.02941	3.7
111.00900	1.6
111.04498	1.0
113.02431	6.7
119.03497	8.0
120.99711	1.1
121.02961	3.1
122.30073	0.9
123.00865	3.9
123.04536	3.7
124.01636	2.3
125.02444	100.0
126.02770	2.2
126.90352	1.2
131.01373	0.9
135.04544	1.2
136.99025	0.9
137.02440	5.8
139.00389	2.1
139.04002	3.2
140.01126	1.3
143.03481	1.3
147.04491	0.8
149.02440	11.6
149.04607	0.9
150.03169	0.9
151.00371	25.2
151.03960	3.2
152.01080	1.9
153.01945	19.0
154.02348	1.0
155.03474	0.8
161.02437	2.5
161.04549	3.2
163.00372	0.9
163.03954	1.0
164.01129	1.0
165.01926	2.1
166.02666	1.7
167.03491	2.5
167.10701	1.1
168.00597	1.7
168.99982	1.7
169.01419	24.0
170.01768	1.3
173.04504	1.5
173.05991	1.0
174.03201	2.8
175.00417	4.5
175.03990	9.8
176.01205	1.2
177.01941	13.9
178.02255	0.9
178.99863	16.8
179.03473	1.1
179.05620	4.7
181.01427	9.2
188.04710	2.2
189.05554	2.9
191.03725	2.0
191.05614	35.4
192.05963	0.9
192.99727	1.3
193.01439	2.4
194.02171	0.9
195.02957	2.8
199.03989	5.3
201.02011	1.6
205.01343	1.9
211.02367	0.8
213.05574	1.2
217.05019	5.0
223.02458	1.3
229.08617	2.0
231.06693	1.8
241.05084	6.6
243.02884	1.3
243.16016	1.7
257.04349	1.3
259.06049	3.4
273.07672	8.0
275.05621	16.5
276.05878	1.6
285.04044	47.6
286.04333	3.4
297.06052	1.1
299.05600	4.5
303.05087	58.8
304.05435	4.0
313.05664	11.5
327.05029	1.9
329.08679	1.1
341.05081	4.4
343.06650	5.5
353.08698	1.1
385.05789	1.6
386.26401	0.9
405.21301	28.8
406.21347	2.5
437.11069	2.2
447.09131	2.3
458.08948	0.9
465.06433	24.7
465.19775	0.9
466.07175	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	465.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.4
59.01378	5.8
59.08252	0.3
60.10009	0.3
69.03468	0.5
69.43975	0.3
71.01382	0.9
71.52651	0.3
78.95898	0.9
81.80996	0.3
82.86887	0.3
83.94345	0.3
85.02956	4.7
87.00880	0.8
89.02455	0.7
92.13561	0.3
93.03455	1.9
96.02726	0.3
96.96014	1.1
96.96959	0.6
101.02431	0.6
105.59754	0.3
106.68452	0.3
109.02929	0.5
110.97533	0.8
111.04532	0.5
113.02396	0.3
125.02431	0.9
127.04017	1.3
133.03040	0.4
135.04515	0.8
150.87903	0.3
161.02390	1.7
164.30943	0.3
171.03059	0.4
173.04472	1.4
175.02487	1.1
175.03859	0.4
179.03525	0.7
179.05695	0.7
184.25467	0.3
191.05603	100.0
192.05937	4.2
201.00412	0.9
211.67900	0.3
215.05606	0.5
217.03502	0.5
219.01405	2.9
231.03606	0.9
231.08821	0.8
236.66417	0.3
241.05034	0.6
273.07693	0.5
285.04050	1.0
331.03018	0.4
349.37933	0.4
353.08752	12.7
354.09070	1.1
368.87424	0.3
375.05728	2.0
376.06116	0.4
393.06702	2.4
417.72159	0.3
465.06473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10079	0.8
59.01376	15.4
59.18558	0.8
60.79237	1.0
61.98828	100.0
63.02900	0.7
64.30535	0.7
65.46381	0.9
68.28888	1.1
71.01382	2.7
78.95914	4.4
85.02973	1.4
89.02468	1.2
98.19906	1.7
134.60124	0.8
137.02441	1.4
152.99588	1.0
155.22952	0.8
168.50470	1.0
169.08965	0.8
169.40431	1.0
191.05634	4.1
208.00093	3.0
209.00877	1.3
301.02982	2.4
303.12234	1.0
315.18201	1.1
377.92783	0.9
464.08954	1.5
465.16727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.01458	1.7
57.03451	2.2
57.77061	1.4
58.00580	3.9
59.01378	100.0
71.01379	68.8
71.01775	3.6
72.99312	8.0
73.02621	1.3
73.02950	16.8
75.00861	3.1
83.01373	5.0
85.02953	14.4
87.00880	7.8
87.01312	1.2
88.81028	1.4
89.02441	97.1
90.02772	2.2
93.03445	6.0
95.01369	2.0
96.96013	12.7
97.02997	1.8
98.95601	2.1
99.00867	10.4
101.02435	49.1
113.02449	18.4
119.03503	16.4
119.04990	5.3
120.99645	22.9
122.99257	1.7
125.02437	7.4
131.03503	29.9
135.04482	4.6
135.08102	1.6
137.02405	5.3
143.03476	3.3
149.04547	63.5
151.00351	2.2
153.09241	1.6
161.02490	1.8
161.04553	8.1
163.03949	4.8
165.05569	1.6
169.01358	2.7
173.04489	2.8
179.05602	4.7
181.05022	5.8
191.03970	2.6
191.05594	28.4
192.05884	1.8
212.49944	1.3
223.13373	2.3
233.06612	1.8
251.07645	1.6
271.02396	5.1
281.06656	2.3
286.88074	1.7
299.99359	2.2
300.02560	7.5
301.03351	3.3
331.17426	6.9
403.19763	4.2
463.06680	13.8
463.13525	12.9
463.21899	20.2
464.13013	1.9
464.22250	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	463.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01387	2.7
61.98851	1.4
67.94817	1.4
71.01385	1.7
71.52714	2.5
74.63098	1.5
76.91730	1.6
80.96520	6.5
82.17769	1.5
83.05044	2.5
97.06594	1.6
109.06554	1.7
111.08193	2.3
117.03970	1.5
125.09704	3.3
127.11308	4.3
153.12851	3.2
167.10738	2.0
167.61867	1.6
169.21512	1.9
171.10265	97.2
172.10632	3.3
177.12810	1.7
181.12346	2.7
197.11829	9.4
199.13358	3.6
207.13882	1.7
209.11821	6.3
247.20671	6.8
255.02937	2.8
271.02542	7.2
273.18591	2.4
291.19666	50.7
292.20035	4.2
300.02737	12.6
301.03473	9.1
309.20700	100.0
310.21008	11.7
323.22430	3.0
419.21005	2.1
441.21951	3.6
445.29611	14.3
446.29813	2.6
463.09109	8.3
463.30704	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	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34389	0.5
51.70221	0.6
59.01382	7.9
61.98828	100.0
63.87938	0.6
64.98709	0.5
65.88882	0.5
66.00963	0.6
69.80994	0.5
71.01376	3.9
71.52674	1.1
76.17252	0.6
83.01422	0.7
85.02939	3.1
87.00889	0.9
89.02463	1.4
91.46848	0.6
92.66151	0.7
93.03475	2.3
95.01424	0.9
96.96010	0.9
97.02967	0.7
101.02439	2.0
105.69347	0.5
107.01393	1.2
109.02966	2.3
113.02437	1.0
119.03448	0.7
120.99645	1.3
123.00894	1.7
125.02440	8.5
135.04523	3.6
139.04042	0.8
140.01135	0.7
140.51558	0.6
151.00381	1.0
153.01950	1.1
153.47316	0.7
161.02423	1.4
169.01418	12.0
173.04594	1.1
174.03262	1.1
186.06750	0.7
191.05600	24.4
192.05890	0.9
211.02466	0.7
229.08769	1.3
241.08499	0.8
257.08154	1.3
271.06232	0.9
273.07590	5.7
285.04065	0.7
297.06033	0.9
299.99118	3.3
300.99554	8.6
302.00159	6.3
303.08813	1.2
313.05734	3.7
404.15497	1.9
464.05560	7.1
464.12448	0.9
465.06161	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
55.60680	0.8
57.03439	2.4
58.00589	2.8
59.01379	83.2
61.98823	3.4
69.03455	1.6
69.71435	1.9
69.71855	3.3
71.01380	81.6
72.99302	5.1
73.02943	24.2
75.00871	50.1
75.01309	2.0
83.01389	4.5
85.02952	14.5
85.26885	0.8
87.00887	2.6
89.02445	100.0
90.02784	1.0
91.83366	0.9
93.03466	2.0
95.01390	3.0
96.96028	1.2
97.02946	2.1
98.19935	1.0
99.00880	31.2
101.02441	50.4
102.02804	1.1
109.02932	1.0
113.02447	18.5
119.03493	9.2
125.02457	9.3
131.03497	18.3
135.04466	1.4
139.00435	1.3
141.12019	1.0
143.03488	2.8
149.04552	57.7
151.00444	1.3
159.03011	1.6
161.02473	1.1
161.04564	17.4
179.05659	3.6
191.05605	27.1
192.05902	1.3
213.77878	1.1
214.88655	0.9
221.06696	2.9
223.13519	1.3
233.06476	1.1
251.07700	4.0
271.02615	1.8
271.06241	1.7
299.99161	2.8
300.02661	2.2
301.03329	1.6
301.07257	1.6
331.17612	11.2
332.17572	1.2
403.19827	1.0
463.21930	44.6
464.22479	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61259	0.7
52.11756	0.7
55.01877	2.1
57.03429	1.7
58.00596	4.2
59.01375	88.6
60.01699	1.3
61.98810	2.3
68.33231	0.9
69.03432	1.4
69.30061	5.2
71.01377	72.6
72.01729	1.1
72.99306	4.0
73.02940	23.5
75.00867	40.1
83.01380	3.5
85.02949	17.5
87.00866	2.8
89.02438	100.0
90.02775	1.7
93.03455	1.1
95.01369	3.2
96.95966	1.7
97.02920	1.7
98.19880	0.9
99.00876	33.4
101.02437	47.3
102.02766	1.2
105.33253	0.8
113.02438	17.6
115.03969	1.9
119.03496	8.5
120.99695	1.0
125.02463	7.0
131.03490	18.9
139.00311	0.9
143.03484	2.9
149.04547	63.2
150.04909	2.3
153.09166	1.1
159.02931	1.9
161.04538	16.3
173.04558	1.0
178.19179	0.7
179.05621	2.9
191.05600	29.1
192.05962	1.5
199.72589	0.7
205.12344	0.9
221.06578	1.8
223.13458	2.8
233.06664	1.5
243.02835	1.1
244.03731	0.9
251.07672	3.8
259.06110	1.0
271.02521	1.7
293.08820	1.7
299.99057	2.1
300.02856	3.0
301.03345	1.7
301.07077	1.4
305.50708	0.7
331.17612	8.2
463.08597	1.3
463.11517	0.9
463.22092	37.8
464.22086	5.3
469.60556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
56.88467	0.6
57.03445	3.6
58.00583	1.7
59.01379	27.8
59.34244	0.7
61.98840	1.4
62.33939	0.6
62.98351	0.7
65.01022	0.8
69.03448	1.9
71.01380	72.1
71.53439	1.0
72.99306	1.9
73.02946	31.6
77.73698	0.7
81.03465	1.5
83.01377	9.6
83.05010	2.7
84.02142	1.1
85.02947	33.6
86.03307	0.7
87.00878	3.7
89.02441	19.8
93.03439	2.9
95.01400	3.7
96.41824	0.6
97.02952	2.7
99.00877	12.3
100.01188	0.9
101.02439	44.5
102.02769	1.6
107.01396	2.0
108.02157	1.7
109.02950	2.2
111.00900	1.3
113.02451	28.7
115.03990	1.0
119.03531	1.9
120.99648	0.8
121.02931	1.6
123.04449	0.8
125.02448	4.7
129.01955	1.0
131.03535	3.4
133.02946	0.9
135.00842	0.8
135.04520	15.2
135.08086	0.7
137.02446	2.7
143.03490	3.2
148.01660	1.8
149.04527	3.3
151.00345	7.8
151.03792	0.7
159.03012	5.8
161.02403	1.8
161.04550	40.7
162.04909	1.1
163.00310	1.3
163.11322	1.5
165.12827	1.2
169.01419	1.1
178.99806	3.7
179.03391	0.9
181.05022	1.2
191.05600	9.6
205.03543	1.1
209.11818	59.2
210.12215	3.8
211.04013	1.0
215.03499	1.5
226.02773	1.4
227.03493	2.3
227.12871	9.6
233.06648	2.7
243.02953	7.7
244.03345	1.0
253.09225	6.8
255.02972	14.3
256.03241	1.4
271.02472	39.8
271.05975	3.8
272.02917	4.5
273.04044	0.8
281.06644	3.4
283.02600	0.8
284.02026	0.7
299.01978	3.1
300.02734	59.1
301.03464	33.2
302.03860	2.0
316.02426	1.1
331.17603	37.6
332.17865	2.5
353.40292	0.8
378.54288	0.8
463.08737	40.6
463.21826	100.0
464.08994	6.0
464.22180	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83117	0.6
55.01879	4.5
57.03442	3.8
58.00599	0.9
59.01377	31.2
61.98822	3.3
63.02390	0.8
65.00330	1.7
68.99793	0.6
69.03465	1.8
69.32195	5.4
71.01379	74.0
72.01716	1.1
72.99315	1.8
73.02945	28.3
80.02654	1.3
81.03461	2.8
83.01382	10.0
83.05019	3.2
84.02159	1.5
85.02946	34.2
86.03265	0.7
87.00868	4.2
89.02441	18.4
93.03450	3.6
95.01376	6.2
95.05014	0.7
97.02942	3.0
99.00876	12.8
99.01452	1.0
99.04510	1.0
101.02436	47.1
102.02805	0.9
107.01402	3.0
107.05051	0.7
108.02190	1.5
109.02949	2.7
111.00925	1.0
111.04534	0.7
113.02441	29.4
114.02768	0.6
115.03997	1.5
119.03516	2.5
119.05009	1.0
120.99660	1.3
121.02951	2.5
123.00849	0.7
124.01646	0.8
125.02443	5.1
129.01915	2.3
131.03494	4.5
133.02979	1.1
134.03755	1.1
135.04521	27.8
135.08022	0.9
136.04846	1.4
137.02435	4.9
143.03529	4.3
148.01669	2.0
149.02487	0.6
149.04578	4.3
151.00363	10.8
152.01006	0.8
159.02983	6.6
159.45082	0.6
161.02589	3.5
161.04546	40.1
162.04839	1.7
163.00366	2.6
163.11287	3.1
165.01941	1.3
165.12840	1.6
169.01375	1.5
173.04614	0.7
177.01915	0.7
178.99892	6.3
179.03497	1.5
179.05594	1.3
181.67700	0.7
183.06526	0.8
187.04027	1.0
191.05606	13.0
191.10866	0.8
199.03952	1.0
201.05421	0.9
205.03510	1.1
209.11806	88.9
210.12155	6.1
211.04039	1.6
214.02763	0.6
215.03392	0.7
215.07188	1.0
226.02664	1.5
227.03632	3.1
227.12869	14.2
228.13115	0.7
229.01620	0.6
229.04758	0.6
233.06673	2.7
235.08376	0.7
241.01454	0.6
243.02989	10.0
243.06653	1.5
244.03606	1.5
245.04506	1.0
253.09294	10.6
254.02159	2.4
255.02975	21.0
256.03406	1.3
271.02460	50.4
271.05933	3.9
272.02911	6.5
273.03964	1.4
281.06680	1.9
283.02539	0.8
293.08810	1.2
299.02078	3.4
300.02719	82.4
301.03461	45.9
302.03857	3.4
316.02054	0.8
331.17606	36.3
332.18018	3.8
425.14438	2.1
463.08713	55.1
463.21814	100.0
464.09076	6.7
464.22159	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	463.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13200	0.3
55.71630	0.3
59.01377	2.4
61.98820	0.5
67.01874	0.3
69.03458	0.4
69.56651	1.1
69.57059	0.6
71.01389	1.6
72.34277	0.2
73.02953	0.7
77.45402	0.3
77.96622	0.2
83.01389	0.3
83.05016	0.5
85.02948	9.7
86.03291	0.3
87.00867	2.1
88.98801	0.5
89.02454	1.0
93.03449	3.6
99.04511	0.4
101.02430	0.9
107.01373	0.7
108.02149	0.3
108.39325	0.3
109.02921	1.5
111.04528	1.3
113.02412	0.4
121.02880	0.4
125.02457	0.5
125.07215	0.3
127.03997	2.4
129.01865	0.3
129.27751	0.2
133.02995	0.4
135.04523	0.4
136.07686	0.3
137.02461	0.7
139.04079	0.3
151.00369	2.2
158.03748	0.6
161.02420	0.7
163.00378	0.3
171.02983	0.8
173.04587	1.2
178.99866	0.7
181.06641	0.7
183.04500	0.8
185.54065	0.3
189.12675	0.3
191.05600	100.0
192.05951	2.8
198.34120	0.2
199.07651	2.3
201.09271	0.3
211.03989	0.7
227.03616	0.4
227.07124	5.0
228.07487	0.4
243.02832	0.8
243.06601	0.5
255.02979	1.9
257.12903	0.7
271.02524	4.0
271.06100	21.9
272.03397	0.5
272.06506	1.5
273.44208	0.3
289.07193	1.2
299.01855	0.4
300.02716	6.9
301.03467	6.8
301.11774	0.4
302.03839	0.4
339.67316	0.3
343.12939	0.4
429.19376	0.3
445.07800	1.0
463.07999	4.3
463.25662	4.2
464.08560	0.5
464.25754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	6.6
60.99288	10.2
61.98829	19.0
65.35542	3.5
70.36269	10.3
71.35869	3.6
75.87321	3.1
79.05538	3.7
88.98804	100.0
96.95953	4.3
102.99873	4.2
120.99655	9.9
191.05554	13.4
213.43944	4.1
217.88356	3.6
259.00104	3.9
278.50598	3.3
289.07254	3.8
299.99054	7.2
463.04932	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93755	0.3
59.01359	0.7
60.51847	0.3
62.39928	0.3
62.96390	1.2
69.94707	1.3
69.95118	0.5
78.95895	7.5
78.96331	0.6
94.93588	0.4
128.30321	0.3
140.16537	0.3
149.00090	35.1
150.00415	0.6
151.00417	0.5
191.05693	0.4
193.75435	0.3
194.98851	100.0
195.99165	2.6
206.05608	0.4
209.11891	0.8
243.03058	0.4
255.03011	1.4
270.31665	0.3
271.02484	2.9
300.02725	4.6
301.00320	0.5
301.03497	2.6
328.06323	0.4
404.02032	0.3
463.11182	59.9
464.11487	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52708	1.2
57.03447	1.6
59.01374	12.2
59.95995	1.3
63.02392	3.1
65.00334	1.9
69.39197	9.5
71.01380	8.3
73.02917	2.8
83.01369	3.8
85.02920	5.0
87.00851	5.4
89.02416	4.9
93.03439	3.8
98.19938	2.5
101.02447	7.2
107.01375	6.8
108.02145	4.7
109.02921	5.2
113.02444	3.6
117.03449	1.6
119.04952	2.1
120.99609	2.8
121.02930	3.4
123.00841	2.0
123.04471	1.7
124.01615	4.2
125.02431	3.1
133.02895	2.3
135.00824	1.5
135.04503	2.5
137.02402	5.0
138.02721	2.3
145.02969	2.0
148.01534	1.7
149.02403	1.7
151.00345	23.4
152.01196	8.9
161.02390	4.0
161.04518	2.8
163.00304	4.3
163.03986	2.0
164.01114	3.3
169.01344	1.8
175.04010	1.4
178.99872	13.5
180.00270	1.7
183.04573	1.6
187.04005	1.9
191.05605	22.5
198.03058	1.8
199.03876	3.7
201.05507	1.4
201.09157	2.4
203.03459	1.5
209.11816	7.7
211.03981	2.8
213.01828	1.6
215.03403	2.3
216.03882	1.5
226.02678	2.2
227.03474	9.0
227.12943	3.2
241.01392	4.3
242.02104	3.9
243.02966	21.3
244.03711	2.9
245.00900	1.5
245.04449	3.3
254.02155	2.5
255.02979	31.0
256.03430	2.6
270.01538	6.6
271.02457	83.6
271.05518	3.8
272.03043	17.6
273.03845	5.6
283.02512	1.6
289.07135	5.8
298.01114	2.8
299.01971	40.3
300.02716	97.4
301.03464	86.3
302.03915	8.0
316.02155	12.9
316.07813	1.6
317.02823	7.5
317.06955	1.7
331.17825	2.8
419.09821	2.2
441.49689	1.7
445.02280	2.1
445.07770	29.5
446.07840	2.3
463.08646	100.0
463.21307	7.1
464.09064	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	463.0883
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
53.13487	1.4
55.19455	1.5
59.01382	25.2
61.98825	10.9
69.28088	9.7
69.28511	4.9
71.01387	10.6
72.99303	2.8
73.02937	2.4
78.95893	2.3
83.01389	2.9
85.02922	5.6
87.00892	2.1
89.02432	8.6
93.03435	4.0
95.34081	1.4
101.02420	4.9
107.01408	3.8
108.02200	7.7
109.02934	5.8
113.02446	4.5
118.39932	1.5
120.99694	7.5
121.02953	3.0
122.22771	1.7
125.02459	3.9
133.02943	6.6
134.03320	1.8
135.04500	6.8
136.04852	2.2
137.02457	19.0
138.01976	45.8
139.02325	18.1
139.03993	2.4
148.01677	3.4
151.00363	18.0
161.02477	13.2
161.04553	4.3
162.02831	7.7
163.00343	3.6
164.01100	2.7
165.01834	2.4
169.01395	3.4
171.04565	2.0
173.04575	2.6
175.33916	1.7
177.01828	2.5
178.99896	8.4
179.03474	4.2
180.03870	2.2
189.01947	2.9
191.05598	22.9
194.20280	1.7
203.03464	2.2
209.00923	2.2
213.14886	3.3
215.03539	2.4
217.01361	4.7
221.00797	1.7
226.02731	4.2
227.03490	6.6
229.04913	2.0
242.02188	6.5
243.02963	15.3
244.03352	2.1
245.04584	2.9
246.98877	3.4
254.02219	3.7
254.05791	3.3
255.00496	3.1
255.02939	27.9
255.05608	2.4
255.06709	1.8
256.03424	2.5
257.04413	2.0
257.13000	2.8
267.02484	1.9
269.08163	2.0
270.05130	1.6
271.02466	71.9
271.05524	3.3
272.00272	1.8
272.02814	9.6
273.03900	2.5
281.08185	2.1
282.05310	3.2
297.07739	4.0
299.02023	6.9
300.02719	100.0
301.00143	2.8
301.03448	59.8
301.11761	2.6
302.03909	3.2
309.04013	5.4
323.07739	7.7
324.08060	16.4
325.07220	3.1
328.05914	6.3
329.10208	2.5
341.19672	3.1
357.09775	56.1
358.10089	4.7
401.08575	15.6
417.19571	1.8
417.24564	7.6
419.07678	4.7
435.55084	1.9
445.07870	10.5
446.08365	3.0
463.08823	76.9
463.26239	10.7
464.09454	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27590	0.6
63.24732	0.6
65.00321	2.2
69.75572	1.4
69.75981	2.7
83.01403	1.4
86.95866	0.6
93.03446	0.7
98.19930	1.2
107.01401	3.9
108.02171	2.3
109.02968	3.0
113.65962	0.6
121.02944	2.5
135.00882	1.0
148.01678	2.2
151.00363	12.5
159.04460	0.8
163.00400	2.9
164.01123	0.9
173.05786	0.8
178.99829	6.1
183.04668	0.7
199.03923	1.1
201.01917	0.7
203.03421	0.6
211.03983	1.7
216.04289	0.9
216.35236	0.6
226.02673	2.2
227.03470	4.4
243.02959	16.1
244.03415	1.4
245.04382	1.3
254.02269	3.7
255.00240	1.2
255.02969	31.7
256.03284	2.7
271.02451	73.4
272.02838	8.3
283.02518	1.2
299.02106	1.6
300.02731	100.0
301.03452	62.5
302.03824	3.9
339.22644	0.6
343.04712	0.8
458.90213	0.7
463.08768	75.5
464.09021	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04222	0.6
54.93179	0.6
59.01378	6.5
61.98801	1.5
63.02399	3.2
64.93790	0.5
65.00316	5.8
69.45278	0.9
69.45681	3.2
71.01371	5.2
73.02919	1.4
83.01383	3.8
85.02919	1.8
87.00847	0.8
89.02401	1.9
89.62984	0.7
93.03416	2.1
93.03954	0.7
95.01382	0.8
101.02460	3.3
107.01398	9.9
108.02144	1.7
109.02927	2.8
113.02424	1.6
119.01449	0.7
119.04982	2.0
120.99628	1.4
121.02959	9.4
125.02413	1.7
133.02927	1.9
135.04485	2.4
136.01591	0.7
136.04832	0.7
137.02408	1.2
139.03999	0.8
144.31238	0.6
148.01649	1.5
149.02396	1.4
151.00356	38.6
152.00768	2.0
153.01898	0.6
159.13805	0.6
161.02457	3.1
161.04520	0.7
162.02744	1.9
163.00345	2.8
163.03996	1.7
163.11360	0.8
164.01088	1.5
169.01427	1.7
171.04349	0.7
175.03978	0.7
178.99855	16.6
179.03447	1.7
180.00224	0.9
187.03996	0.7
191.05606	9.3
193.01279	0.7
199.03932	1.5
201.05632	0.9
209.11830	9.6
215.03535	1.4
226.02594	1.0
227.03513	2.9
227.12819	2.5
229.04997	0.8
231.10321	0.8
243.02957	6.3
244.03445	0.8
245.04514	1.8
253.09235	2.2
254.02139	1.0
255.02982	12.6
256.03345	0.7
257.04401	1.9
270.01770	1.4
271.02451	29.6
272.03104	4.5
273.03928	2.4
283.02301	1.0
298.01080	1.1
299.01913	4.9
300.02719	44.9
301.03476	100.0
302.03833	8.2
316.02274	2.2
317.02777	0.7
331.17719	1.3
415.52054	0.7
419.09390	0.6
445.07788	7.0
446.08331	1.3
463.08807	32.3
463.14548	1.6
463.21280	2.4
463.26334	1.9
464.09021	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	462.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83890	1.3
59.01360	1.5
61.98828	100.0
76.29430	1.4
108.85623	1.5
132.28427	1.3
134.36327	1.4
140.38655	1.3
152.99596	2.2
209.80870	1.5
255.23245	18.7
271.02298	1.7
300.02658	3.8
301.03430	2.5
399.27557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05371	0.5
55.29433	0.5
58.00583	0.7
59.01376	14.1
61.98816	2.0
68.99796	0.5
69.28698	1.0
69.29102	4.3
71.01377	4.3
73.02933	2.0
74.99098	2.5
79.95705	0.8
84.77438	0.5
85.02940	3.1
87.00879	1.6
89.02448	2.7
93.03452	3.4
95.01365	0.8
96.96009	25.8
101.02453	2.1
105.01894	0.6
109.02973	0.5
109.88180	0.6
111.04488	0.7
113.02474	1.3
119.03486	0.6
119.04948	0.5
120.99653	100.0
122.00008	1.3
123.00889	0.7
124.01645	0.6
125.02435	3.5
131.05063	0.7
136.99150	2.4
145.02917	1.6
145.96851	0.6
146.06107	0.7
147.74054	0.6
148.07632	1.1
149.04572	0.6
149.06056	0.8
151.00276	0.7
161.02397	0.7
161.04581	1.6
165.05499	0.8
168.00536	1.0
169.01456	3.2
172.08757	0.6
173.04575	1.7
178.18765	0.5
179.05704	1.0
191.05609	15.0
198.06689	2.2
199.06976	0.6
209.11830	1.5
238.87538	0.7
241.07315	13.0
241.14355	1.1
242.02444	0.8
242.07768	3.6
243.06760	0.7
243.08932	2.0
255.11459	0.7
256.09708	0.7
257.10574	0.7
271.02438	1.1
271.06137	4.9
271.14487	0.8
272.06421	0.9
285.10016	1.8
289.07114	0.9
299.99127	9.7
300.02579	1.3
300.99820	5.8
301.03073	1.2
313.05667	1.3
329.15338	1.0
333.35626	0.6
341.07083	0.6
373.14011	4.8
374.14423	0.7
376.13998	0.8
377.14453	1.1
383.11700	4.2
401.07437	0.8
401.14731	1.2
403.14957	1.0
403.19754	1.4
403.34479	0.6
419.15671	19.6
420.16031	2.3
463.07297	48.1
463.12634	3.9
463.21942	1.4
464.07559	5.7
464.13138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.2
61.98829	100.0
67.39327	1.5
71.01373	3.2
74.02470	5.7
78.95902	42.7
85.02970	6.8
87.00864	3.4
93.03456	4.5
96.96940	2.9
101.02448	2.1
109.02906	1.5
121.02914	1.3
127.24991	1.3
128.99451	1.3
135.08408	1.4
151.00354	3.2
151.05721	1.3
152.99593	9.0
164.34651	1.4
167.44362	1.4
173.04498	3.0
191.05602	61.1
192.05946	3.7
207.10257	1.3
209.11789	1.8
242.04762	1.2
243.02968	4.1
255.02960	5.3
271.02527	11.8
283.13278	1.7
298.14935	1.3
299.02026	2.9
299.99347	2.5
300.02707	25.6
301.03427	12.8
349.48306	1.7
371.15070	2.6
419.87833	1.5
462.26880	4.4
463.08960	18.7
463.29120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91706	0.3
57.46110	0.3
59.01377	100.0
60.01719	1.3
61.98828	0.4
69.34702	1.5
69.35130	0.8
71.01384	3.3
72.98656	0.3
73.02950	0.6
78.95925	1.1
83.01405	0.6
85.02966	1.5
89.02456	0.9
101.02450	2.0
106.88342	0.2
113.02439	1.3
152.99602	0.9
154.46387	0.3
154.47687	0.3
159.03024	0.4
161.04549	4.4
191.05592	1.6
218.10773	0.3
270.01678	0.3
401.25409	6.5
402.25870	0.7
445.24564	0.7
461.27780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01101	0.3
59.01381	1.9
61.98826	4.2
71.01388	1.2
71.54708	0.3
71.55080	0.5
73.02950	0.4
76.00211	0.3
78.95887	0.5
85.02958	0.7
87.00912	0.4
87.34323	0.3
89.02428	0.4
93.03445	0.8
94.21076	0.4
101.02420	0.9
105.03478	0.7
109.02959	0.8
113.02454	1.0
117.03463	1.0
120.99642	5.3
121.02988	0.6
122.24499	0.3
123.03246	3.8
125.02425	1.0
126.00848	0.3
126.02777	0.6
132.02133	1.9
133.02950	37.3
134.03328	1.4
135.04521	9.7
136.04900	0.4
137.02428	1.7
138.05603	33.7
139.04005	0.4
139.05933	1.1
149.06111	0.4
151.00328	1.2
161.02431	100.0
162.02763	4.0
163.00360	0.4
163.04156	0.4
168.08588	0.4
169.01408	1.5
170.01694	0.5
177.01891	0.6
177.05565	0.7
178.02560	0.4
178.99843	0.8
179.03493	6.0
181.05066	0.4
181.76131	0.3
191.05586	2.3
221.04526	1.1
227.03465	0.7
243.02905	0.8
255.02994	2.1
263.05621	0.4
271.02390	4.9
271.05048	0.4
299.01898	0.5
300.02701	6.7
300.10736	0.4
301.03464	2.8
309.04187	0.4
314.06183	0.7
323.07657	5.2
336.94760	0.4
386.05936	1.1
418.08624	0.6
446.32938	0.4
462.14047	61.9
463.08701	4.5
463.14551	6.4
463.24915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2179
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
59.01365	1.2
59.14446	0.5
69.81551	2.5
71.01398	0.6
72.76282	0.4
75.07729	0.4
78.95889	0.5
92.29183	0.4
109.02923	0.9
109.06570	1.0
121.59051	0.5
124.01662	5.1
125.02446	3.1
137.02415	1.8
138.03154	0.9
141.24060	0.5
149.02451	1.4
150.03258	1.1
151.04007	2.5
152.04761	0.9
152.99577	1.1
159.04472	0.9
160.05255	3.8
161.02434	1.3
162.03163	0.9
163.03961	1.6
163.11302	1.0
164.04837	1.0
166.02733	0.8
168.00667	1.2
169.01311	0.7
172.05363	0.6
173.06067	0.5
174.03267	0.5
175.03955	3.3
176.04761	5.8
177.01871	0.7
177.05450	0.5
179.03474	0.6
186.06860	1.5
187.03941	0.6
189.05530	1.0
190.02718	0.5
191.03528	2.3
192.00626	2.8
193.01405	6.9
201.05507	2.6
203.07114	0.6
205.01389	1.8
207.10252	2.9
215.07095	1.1
219.03018	2.3
225.11317	2.1
227.07027	0.9
229.16017	0.8
230.09596	0.6
241.01462	1.0
257.15384	1.4
267.14163	0.5
273.14917	1.6
275.16403	1.0
283.13242	2.2
287.12912	1.9
288.13046	0.6
299.01877	0.7
301.14417	19.1
302.14795	2.2
303.16058	1.4
304.13129	0.5
305.13766	1.1
319.15463	7.9
320.15878	1.1
321.17209	0.8
327.12262	1.0
329.13907	1.3
330.14499	0.7
345.13403	3.5
347.14960	0.6
363.14502	5.4
364.14700	0.7
381.20734	2.0
387.18805	0.5
398.08209	0.5
399.21658	2.7
417.22522	1.3
438.87048	0.5
443.20764	3.2
461.21759	100.0
462.22098	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	461.1451
Annotation	2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01376	5.8
69.45329	3.3
71.01380	2.8
73.02914	0.4
81.03438	0.5
85.02923	1.2
89.02411	1.5
93.03431	1.5
95.01369	0.5
97.02940	0.5
98.19942	0.8
101.02447	2.0
105.03436	0.7
108.02166	3.4
109.02959	6.4
111.00829	0.4
113.02455	0.8
116.66743	0.4
117.03452	2.1
118.10986	0.4
119.05023	2.5
121.02941	0.5
124.86248	0.4
125.02438	2.7
127.00087	0.5
132.02167	1.8
133.02959	35.3
134.03329	1.3
135.04530	8.5
136.01588	0.5
136.04730	0.4
137.02444	39.4
137.06010	0.7
138.02730	1.5
145.02971	4.7
146.03690	1.5
152.01134	4.7
153.01944	6.2
161.02437	100.0
162.02776	4.6
163.04010	1.1
164.04814	1.4
169.01427	2.5
177.05484	0.5
179.03532	5.5
179.07092	2.1
181.08807	0.4
191.05583	0.5
192.50069	0.4
207.10268	0.6
221.04550	0.6
241.01433	0.7
270.01996	0.5
271.02527	0.6
281.06729	3.3
299.02380	0.5
299.07739	10.0
300.08105	0.5
315.07169	3.6
323.07669	2.4
461.14856	66.2
462.15259	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	461.2179
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
54.35152	0.6
54.86673	0.5
59.01373	2.9
61.98831	1.5
68.19374	0.6
70.40501	0.6
71.01408	0.6
78.95894	6.0
86.92481	0.5
87.00861	0.6
92.38430	0.6
96.96003	1.5
96.96949	1.1
101.02480	0.7
109.02970	0.6
109.06564	0.7
121.02945	0.7
124.01675	5.5
125.02460	5.2
135.04507	0.9
137.02419	2.0
138.03214	1.5
149.02415	0.7
150.03156	0.9
151.04021	2.2
152.04764	1.2
152.99582	7.4
159.04482	1.7
160.05260	4.8
161.02440	2.1
163.04018	2.0
163.11223	0.7
164.04727	0.6
168.00560	0.8
169.01358	0.8
172.05292	1.1
173.06049	0.8
175.04001	4.6
176.04779	6.4
177.01924	0.9
177.05507	1.3
179.03441	0.9
186.06895	1.0
189.05591	1.1
190.02779	1.5
190.06416	0.7
191.03487	1.8
191.05609	1.3
192.00676	3.7
193.01410	3.0
199.04140	0.7
201.05505	2.0
202.06375	0.6
203.07155	1.0
205.01410	0.9
207.10283	3.1
211.07788	0.7
213.05579	0.7
215.07146	0.9
219.02898	2.9
225.11319	2.4
229.16382	0.7
239.89485	0.7
241.01479	1.8
242.01865	0.6
243.14061	0.7
245.01082	0.8
247.17041	0.7
257.15579	1.1
270.01749	1.3
271.02441	1.0
273.15045	1.7
275.16498	1.4
283.13379	2.3
287.12897	3.2
294.48135	0.7
298.01144	0.8
299.01999	1.1
301.14435	22.5
302.14764	3.3
303.15906	1.3
305.13773	1.4
319.15460	9.6
320.15952	0.9
329.13977	1.7
345.13388	2.9
347.14905	1.0
363.14560	5.4
364.14859	0.8
381.20895	2.8
399.21719	3.7
417.22800	1.9
443.20667	2.4
461.08307	2.9
461.21771	100.0
462.22092	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.4
59.01100	0.7
59.01376	6.6
61.98815	0.7
65.03986	0.4
69.03455	0.7
71.01384	4.6
71.53477	0.4
71.53884	0.4
72.99319	0.6
73.02958	1.0
78.04390	0.3
81.03478	0.5
83.01328	0.4
83.05050	0.6
85.02952	1.6
89.02464	2.1
93.03455	45.3
94.03794	1.5
95.01366	0.5
97.02970	1.0
101.02448	1.9
109.02938	0.7
109.06577	4.4
113.02458	1.5
117.03416	0.5
118.98096	0.7
119.03502	0.5
120.99562	0.4
123.04544	0.5
125.02461	1.1
127.07654	0.7
132.02170	0.5
133.02954	8.8
134.03752	0.4
135.04521	6.8
135.08147	0.7
137.02441	100.0
138.02779	3.7
139.11261	0.9
145.02913	0.5
151.00345	0.9
155.07143	0.6
161.02441	26.0
161.04570	0.9
161.09621	0.3
162.02809	1.2
163.00418	0.4
163.11295	3.0
169.01476	0.7
177.01942	0.4
177.05505	0.9
179.03484	5.0
180.57069	0.3
181.12393	0.7
183.10278	1.7
191.05588	1.2
197.11818	0.7
203.03488	0.7
207.10240	12.9
208.10526	0.8
216.00327	0.4
221.04550	2.0
225.11322	8.2
225.13318	0.7
235.08211	0.6
241.01436	1.5
242.02094	0.8
245.00908	0.9
253.09244	2.5
270.01755	1.4
271.02487	1.6
295.10236	0.7
297.00180	0.4
298.00946	0.5
299.01971	1.5
299.07693	3.9
301.03604	0.4
323.07693	21.7
324.08005	1.9
461.11859	3.2
461.20111	12.3
462.21176	1.1
481.56033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
53.27066	0.5
54.20422	0.5
55.01879	0.5
59.01378	14.7
61.98826	5.7
66.97862	0.5
67.01884	0.6
69.03442	1.5
69.39558	2.0
69.39986	2.0
71.01379	4.5
72.99299	0.9
73.02931	0.8
79.01895	1.3
85.02938	1.9
86.64803	0.5
89.02437	1.7
93.03458	1.5
95.01366	2.1
97.02949	1.4
99.00852	1.0
101.02441	2.3
107.01379	4.4
107.04992	0.5
109.02924	0.9
111.00874	0.8
113.02422	1.9
115.05566	0.7
121.02907	0.6
122.03729	3.3
122.99999	1.0
123.00880	14.5
123.04088	1.7
124.01709	2.8
125.01524	1.1
125.02449	20.2
126.02760	0.8
131.05034	2.1
133.06609	0.9
135.04498	0.9
136.98830	0.6
137.02470	2.7
139.00392	4.5
139.03987	0.5
140.01118	0.8
141.01912	1.2
145.02919	0.8
145.06696	0.6
147.04507	11.2
149.99590	1.1
151.00352	11.8
151.01563	0.6
153.01924	2.7
161.02441	1.4
161.06058	12.6
165.01947	0.9
167.03473	1.0
168.00638	4.7
169.01414	31.1
169.05046	2.2
170.01834	1.0
177.01918	0.8
181.01341	0.6
186.76057	0.5
189.01884	0.8
189.05557	2.1
191.05612	2.2
193.01334	1.1
203.03526	1.1
211.02428	5.2
214.02771	0.8
217.01393	1.1
227.03557	4.8
229.01456	1.1
229.04938	1.0
241.01410	2.1
241.05058	1.4
242.02142	1.4
243.02951	0.9
245.00839	1.2
250.24692	0.6
253.03404	1.2
255.02956	2.1
255.06590	0.7
261.04062	0.8
269.04797	0.6
269.07913	1.0
270.01657	2.9
270.08731	0.7
271.02435	3.6
283.02469	0.6
285.04150	1.7
287.05643	3.2
297.07675	2.4
298.01123	1.1
299.01883	1.9
301.03598	1.7
313.05597	4.5
325.07144	1.5
327.05109	0.6
342.07297	0.8
357.09796	4.6
385.09296	1.6
401.08572	1.1
417.11710	1.3
440.96234	0.5
461.10922	100.0
462.11298	12.1
473.55542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56968	0.6
59.01318	7.5
69.37394	4.9
71.01372	3.8
71.02626	0.6
72.99235	0.7
73.02888	1.0
75.36148	0.6
80.11501	0.6
84.23457	0.6
85.02889	2.3
89.02387	2.2
93.02951	0.6
93.03447	6.0
95.01333	1.5
98.19904	1.3
99.02686	0.9
101.02423	3.1
102.12746	0.7
107.04995	1.0
108.01479	1.0
108.02168	13.3
109.02960	11.4
113.02436	1.9
117.03453	6.0
119.03476	1.1
119.05017	4.0
121.02938	1.5
123.00837	1.0
123.04511	1.0
125.02439	3.5
132.02161	1.3
133.02951	33.9
134.03354	1.1
135.04504	10.6
136.01657	1.4
137.02437	88.4
138.02769	4.4
145.02945	17.5
146.03795	4.1
149.28368	0.6
152.01146	17.9
153.01933	10.5
153.05559	0.6
161.02432	100.0
161.06075	2.0
162.02774	4.9
163.04004	2.0
164.04779	3.6
169.01434	4.3
177.02029	0.9
177.05602	1.0
179.03505	6.4
179.07123	6.0
185.73486	0.8
191.05634	1.0
206.11386	0.7
207.10379	1.0
214.36621	0.6
241.01613	1.1
241.12708	1.0
270.01782	1.0
281.06638	10.3
282.07263	0.7
299.07693	21.6
300.08386	1.9
307.08453	1.2
315.07144	10.7
316.07932	0.9
323.07660	4.3
417.18329	0.9
461.15430	62.4
462.15891	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	461.1088
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
55.27253	0.6
59.01369	2.3
62.86605	0.6
69.03449	3.1
71.01331	0.9
79.01870	1.8
81.03460	1.7
83.01376	1.5
89.02448	1.2
95.01344	1.2
97.02943	2.8
107.01399	1.7
123.00861	7.1
124.01662	20.6
125.02444	53.2
126.02838	1.7
136.01593	0.8
137.02470	3.9
147.04500	4.1
149.80249	0.9
149.99577	35.8
151.00275	2.9
167.03481	1.7
167.10756	2.4
168.00632	61.7
169.01328	5.4
179.03447	1.4
201.67278	0.7
244.87068	0.8
269.06519	0.7
313.05655	1.6
443.09683	3.0
459.09778	0.8
461.10873	100.0
462.11203	12.3
478.22327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
50.46807	0.2
59.01378	1.0
61.98817	0.7
65.16869	0.2
67.01904	0.4
68.99837	0.2
69.03458	1.8
71.01429	0.3
73.02970	0.3
79.01886	0.4
81.03463	0.9
93.03438	0.2
95.01396	1.4
97.02950	1.4
103.05532	0.3
107.01382	0.6
111.00925	0.3
121.02969	0.3
123.00888	2.2
124.01661	5.0
125.02445	79.2
126.02795	2.3
133.02986	0.5
139.00352	0.9
139.04018	0.4
147.04510	5.0
151.00383	0.3
153.01917	0.4
161.02409	1.8
166.99837	1.2
167.03523	0.4
167.10764	2.4
168.00641	8.3
169.01416	100.0
170.01764	4.2
193.01346	0.3
195.02780	0.2
210.43884	0.3
211.02458	1.9
217.58681	0.2
253.03474	0.3
276.39801	0.2
278.73917	0.2
299.09210	0.2
313.05661	3.7
353.15604	0.2
398.15335	0.5
461.10852	47.2
462.11249	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	461.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01376	5.3
59.83458	0.3
63.02399	0.9
63.62716	0.3
65.00318	0.4
67.01895	0.4
67.24563	0.3
68.99812	0.4
69.21109	0.8
69.21519	2.2
71.01013	0.4
71.01384	7.1
72.99301	1.1
73.02941	0.3
73.41750	0.3
73.55242	0.3
75.00876	2.8
83.01385	0.7
85.02953	8.3
86.03275	0.3
87.00868	1.7
89.02431	1.0
91.01890	0.4
93.03455	2.2
94.73110	0.3
95.01372	3.0
99.00881	3.2
101.02456	0.4
102.99330	0.3
103.00389	2.2
107.01385	2.3
109.02957	1.8
109.03609	0.4
111.00890	0.4
113.02445	14.2
115.00379	0.9
117.01930	1.3
117.03416	0.4
119.05018	1.1
120.99612	0.3
129.01904	0.9
132.02063	0.3
133.02969	0.8
135.00870	1.2
135.04523	1.7
137.02452	0.5
137.06085	0.8
141.07104	0.5
143.05017	1.6
145.02962	0.7
145.06537	0.3
151.00374	1.6
153.01886	1.0
154.04202	0.6
157.01486	0.4
157.06548	1.1
159.04465	1.6
161.02448	3.8
163.00369	2.8
165.01917	0.5
167.05009	0.7
169.06575	1.1
171.04472	1.4
173.05977	0.5
173.31468	0.4
175.02466	3.0
177.45929	0.3
179.03477	1.5
182.03775	0.5
184.05371	0.3
184.54796	0.4
185.06076	3.0
187.03993	3.9
189.05614	2.2
191.05606	0.5
195.04420	0.5
197.06073	0.8
198.03317	0.3
199.03908	0.8
201.05583	0.9
211.03946	2.1
213.05565	2.3
214.02632	0.6
215.03519	0.7
227.03506	3.3
229.05045	11.8
230.05374	0.8
239.03436	1.7
240.04225	1.0
240.90607	0.4
241.05011	1.3
243.02969	0.6
255.02972	1.9
256.03720	0.8
257.04541	7.1
258.04959	0.4
263.12845	0.4
267.02924	1.0
270.01727	0.7
271.02258	0.4
284.03189	0.5
285.04025	100.0
286.04388	7.7
297.06165	0.5
300.28546	0.4
461.07214	3.6
461.14349	1.1
462.07419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	LMPK12110738
Peak:m/z	Relative Intensity
55.01868	0.8
55.32200	0.5
58.00581	1.0
59.01377	25.8
60.01707	1.1
61.98827	1.2
67.01842	0.7
69.03459	5.4
69.26546	1.3
69.26952	4.5
71.01379	27.4
72.99302	0.7
73.02939	2.0
74.99800	0.6
79.01887	1.7
81.03453	2.4
83.01382	3.4
85.02966	3.7
87.00868	0.9
89.02442	33.2
93.03442	0.6
95.01393	2.0
97.02947	5.7
99.04520	1.4
101.02454	5.3
103.05523	0.7
107.01393	3.7
109.02955	0.9
111.00904	1.2
113.02429	5.0
123.00888	8.8
123.58130	0.6
124.01662	25.0
125.02447	72.6
126.02780	2.7
131.03494	7.0
137.02431	3.6
146.41493	0.6
147.04509	4.6
149.04536	9.8
149.99580	42.3
151.00359	4.5
167.03619	0.7
167.10768	44.4
168.00636	70.2
168.11139	2.2
169.01405	9.8
180.00343	0.6
191.05577	3.6
193.01414	0.8
205.01358	0.6
233.06610	2.1
293.08749	6.7
309.16690	0.6
313.05688	2.4
415.73730	0.6
443.09732	3.4
461.10886	100.0
462.11258	14.2
486.86603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11487	0.3
59.01378	8.1
60.01724	0.3
61.98829	24.0
66.78911	0.2
67.01895	0.5
67.77305	0.2
68.11516	0.2
68.99825	0.3
69.03451	1.7
71.01385	1.2
71.53262	0.2
72.64458	0.2
73.02966	0.3
79.01907	0.8
81.03458	0.8
81.03882	0.2
83.01401	0.5
85.02962	0.4
87.00896	0.3
89.02439	1.0
92.55060	0.2
93.03480	0.5
95.01364	1.2
97.02950	1.9
101.02455	0.8
107.01376	0.7
108.02182	0.2
109.02975	0.6
111.00899	0.4
113.02417	0.6
117.03469	0.6
119.05032	0.4
121.02946	0.5
123.00903	2.3
123.04534	0.3
124.01668	4.8
125.02444	80.4
132.02202	0.2
133.02957	4.6
134.03691	0.2
135.04526	1.8
137.02432	0.6
139.00394	1.2
140.01108	0.4
147.04521	5.1
151.00375	0.6
152.88005	0.3
153.01921	0.7
161.02437	17.7
162.02704	0.4
166.99873	1.3
167.03487	0.8
167.10771	5.2
167.99200	0.5
168.00641	9.5
169.01416	100.0
174.97115	0.2
177.01900	0.3
177.05484	0.2
179.03474	1.4
191.05635	0.8
193.01349	0.3
195.02902	0.3
211.02441	1.8
221.04401	0.2
223.02556	0.3
235.02477	0.3
241.01422	0.4
243.03044	0.3
245.00858	0.3
253.03270	0.3
270.01752	0.6
281.06677	0.2
285.03912	0.2
290.25137	0.3
295.04639	0.3
298.08987	0.2
299.01917	0.3
300.02542	0.2
313.05624	3.9
316.96991	0.2
322.39542	0.2
397.14996	11.7
398.15512	1.3
415.90955	0.2
461.10794	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21192	0.6
59.01378	3.0
61.98829	100.0
69.21361	2.2
69.21789	3.7
71.01382	0.8
77.98175	0.5
78.95901	0.8
89.02456	0.7
90.71219	0.6
103.87259	0.7
136.70650	0.7
149.34064	0.6
159.26178	0.6
191.05626	1.0
207.10243	2.1
225.11301	1.4
241.01390	1.2
448.45966	0.6
457.06625	0.6
461.07306	1.5
461.20990	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	460.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11487	0.3
59.01378	8.1
60.01724	0.3
61.98829	24.0
66.78911	0.2
67.01895	0.5
67.77305	0.2
68.11516	0.2
68.99825	0.3
69.03451	1.7
71.01385	1.2
71.53262	0.2
72.64458	0.2
73.02966	0.3
79.01907	0.8
81.03458	0.8
81.03882	0.2
83.01401	0.5
85.02962	0.4
87.00896	0.3
89.02439	1.0
92.55060	0.2
93.03480	0.5
95.01364	1.2
97.02950	1.9
101.02455	0.8
107.01376	0.7
108.02182	0.2
109.02975	0.6
111.00899	0.4
113.02417	0.6
117.03469	0.6
119.05032	0.4
121.02946	0.5
123.00903	2.3
123.04534	0.3
124.01668	4.8
125.02444	80.4
132.02202	0.2
133.02957	4.6
134.03691	0.2
135.04526	1.8
137.02432	0.6
139.00394	1.2
140.01108	0.4
147.04521	5.1
151.00375	0.6
152.88005	0.3
153.01921	0.7
161.02437	17.7
162.02704	0.4
166.99873	1.3
167.03487	0.8
167.10771	5.2
167.99200	0.5
168.00641	9.5
169.01416	100.0
174.97115	0.2
177.01900	0.3
177.05484	0.2
179.03474	1.4
191.05635	0.8
193.01349	0.3
195.02902	0.3
211.02441	1.8
221.04401	0.2
223.02556	0.3
235.02477	0.3
241.01422	0.4
243.03044	0.3
245.00858	0.3
253.03270	0.3
270.01752	0.6
281.06677	0.2
285.03912	0.2
290.25137	0.3
295.04639	0.3
298.08987	0.2
299.01917	0.3
300.02542	0.2
313.05624	3.9
316.96991	0.2
322.39542	0.2
397.14996	11.7
398.15512	1.3
415.90955	0.2
461.10794	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.26196	0.4
78.08326	0.2
82.93309	0.2
82.95750	0.2
107.05028	30.4
108.05350	1.2
116.92831	0.3
147.08107	0.3
163.11281	100.0
164.11609	5.6
179.56880	0.2
191.79474	0.3
243.90674	0.3
244.75958	0.2
280.14713	0.4
283.17032	24.4
284.17365	2.6
295.17010	13.5
295.22058	0.3
296.17398	1.2
459.29028	69.5
460.29373	12.1
460.36017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87407	5.3
56.38327	5.9
59.01368	24.2
61.98805	6.2
64.12134	5.7
71.01347	13.1
71.51620	6.6
71.94656	5.4
80.91325	5.0
89.02435	16.6
89.23788	6.2
98.16068	4.8
114.66164	6.0
149.97670	5.3
158.35175	5.7
179.05614	13.2
227.32402	5.5
279.23270	100.0
280.23593	7.4
283.16977	5.9
369.65451	5.8
459.18213	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	460.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37939	1.0
59.01375	5.8
61.98830	100.0
63.71856	1.0
69.41257	8.8
71.01375	3.2
101.02442	1.9
109.69637	1.1
113.02404	1.1
122.76328	1.0
127.07657	2.1
133.02945	13.4
135.04507	3.3
138.88623	1.1
153.01898	2.0
154.02240	1.4
155.07146	1.4
161.02434	54.1
162.02768	2.6
179.03500	1.2
183.10286	3.0
197.11855	1.6
197.97597	1.0
221.56290	1.0
225.11299	3.7
242.43988	1.0
243.02936	2.3
243.33122	1.2
247.68881	1.1
264.73236	1.2
271.02432	3.7
285.04184	1.7
314.04190	4.1
315.04996	1.8
397.15009	50.7
398.15411	5.3
461.10706	3.7
461.20151	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	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71002	0.3
55.01870	0.5
57.03450	0.6
59.01377	100.0
60.01715	1.0
61.98829	2.8
69.49133	1.3
69.49557	0.8
71.01383	6.6
73.02939	2.1
79.97959	0.3
83.01396	0.9
83.05026	0.6
85.02950	3.0
87.00888	1.1
89.02461	1.4
93.03474	0.8
95.01397	0.7
99.00906	1.1
101.02444	4.5
113.02457	2.7
119.03515	0.3
121.02953	1.7
125.02502	0.7
133.02980	0.5
135.04512	1.2
136.04045	0.5
137.02441	0.4
143.03543	0.3
151.04005	0.4
159.03021	0.9
161.02469	2.9
161.04529	6.7
162.02808	0.3
176.30734	0.3
179.03493	0.7
191.05527	2.0
212.13826	0.3
223.13527	0.3
266.60880	0.3
274.35193	0.3
275.63495	0.3
283.83917	0.3
383.04205	1.8
399.23898	6.6
400.24506	0.6
400.37473	0.4
417.25262	1.4
459.26740	0.3
460.12637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.1
60.95753	0.5
61.98838	2.8
69.25342	4.6
71.01376	6.0
73.02955	1.3
83.01433	0.5
85.02969	1.6
89.02458	1.5
92.24483	0.4
95.01402	0.5
95.80148	0.5
95.98403	0.4
101.02420	2.8
101.06091	0.8
108.00076	0.4
108.02207	0.9
109.02979	0.8
113.02439	2.3
123.04536	0.5
125.02439	0.5
131.07126	0.5
131.71765	0.4
134.03618	0.4
137.02499	0.4
139.07512	0.5
152.01172	0.8
153.01950	1.1
159.03026	0.5
161.04543	4.3
180.03952	0.4
184.25912	0.5
191.05525	0.5
222.39084	0.4
249.60417	0.6
326.95132	0.4
399.23825	4.9
459.11441	1.1
459.17883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
56.16185	0.5
59.01376	100.0
59.94641	0.5
60.01714	1.3
61.98831	5.2
62.28025	0.5
69.03449	0.6
71.01376	11.2
72.99316	0.6
73.02934	2.9
83.01397	1.1
85.02935	3.4
87.00865	0.6
89.02431	5.3
93.03438	0.5
95.01382	1.1
98.20648	1.5
99.00891	1.3
101.02437	8.5
113.02448	3.7
115.59312	0.5
116.40810	0.5
119.03558	0.9
125.02463	0.8
131.03476	1.1
143.03517	0.5
149.04565	1.0
159.02985	0.7
161.04547	6.5
169.01456	0.8
177.01993	1.0
179.14514	0.7
191.05632	1.8
195.13943	0.9
223.13376	8.7
224.13582	0.7
241.36874	0.5
253.09268	1.6
327.18127	0.7
394.89197	0.6
399.23843	11.4
400.24307	1.1
459.21976	1.8
459.31204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.1
71.15293	1.6
73.02946	46.4
99.00877	4.5
113.78206	1.1
116.92849	3.0
117.01942	100.0
118.02278	1.6
122.48233	1.0
132.76027	1.0
191.05696	2.4
211.29253	1.0
254.84967	1.1
295.68848	1.0
296.37048	0.9
332.65225	1.1
334.01224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.70046	0.3
57.81733	0.4
59.01381	6.2
69.03453	0.5
69.88268	0.4
71.01378	3.4
71.29098	0.8
73.02931	0.5
83.01399	0.8
85.02945	1.5
85.90876	0.4
89.02443	3.6
91.05550	0.5
93.03481	0.5
96.68612	0.3
96.95972	0.8
101.02422	2.6
102.59974	0.3
107.05017	1.6
109.02997	0.5
113.02454	1.7
117.03474	1.5
119.03483	1.4
123.04527	0.5
132.02202	0.9
133.02956	16.2
134.03763	6.6
135.04520	100.0
136.04843	3.9
137.02438	0.5
139.03981	0.4
147.06688	0.6
161.02432	51.8
162.02780	2.6
169.01480	0.4
179.03485	67.1
180.03859	2.6
191.05591	0.9
210.05818	0.4
252.11700	0.4
297.12213	0.6
423.04697	0.5
459.15057	77.4
460.09317	0.8
460.15408	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	459.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08946	1.4
58.43672	1.3
59.01376	38.3
60.99293	3.7
71.01009	2.0
71.01382	20.2
71.04983	1.7
71.52839	2.5
71.90457	1.5
72.99297	2.7
74.95528	1.4
75.00488	1.4
75.00871	24.4
78.95909	16.0
85.02906	4.7
87.00843	2.0
88.98803	15.4
89.01939	2.1
89.02441	24.3
95.01329	1.9
96.96014	16.9
96.96954	29.0
99.00866	1.9
101.02450	19.6
108.02184	1.7
113.02460	10.1
116.92802	6.0
117.01907	1.8
119.03517	10.7
119.50088	1.4
120.15352	1.4
124.15536	1.5
125.68956	1.5
133.02933	14.9
135.02942	2.3
135.04518	29.0
139.03955	6.5
139.14970	1.6
149.06032	2.7
152.01178	1.3
161.02435	40.4
169.01422	1.4
177.05502	5.4
179.03484	23.2
191.05562	10.1
208.98994	3.4
221.04398	6.4
251.05539	4.1
281.06528	9.2
297.08243	100.0
298.08395	5.4
341.08539	3.9
383.09576	2.7
459.11084	78.4
460.11523	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	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78091	0.2
55.01901	0.3
59.01376	18.6
61.98818	0.8
67.81967	0.2
71.01379	1.5
73.02928	0.4
75.77336	0.2
83.01364	0.3
85.02947	0.8
85.18156	0.2
86.00752	0.2
87.00887	0.4
87.47543	0.2
89.02433	0.7
93.03463	0.6
98.19906	0.7
99.00883	0.2
101.02431	1.0
101.06142	0.3
108.02147	1.2
109.02946	0.8
113.02446	0.7
119.03481	0.3
119.05039	0.3
121.02967	3.0
121.06675	0.5
122.03735	100.0
123.04041	2.1
123.04523	2.2
133.02879	0.2
135.04514	2.2
137.02481	0.9
137.06073	1.6
141.11790	0.2
147.04517	7.4
148.05035	0.4
149.02596	0.3
149.06073	0.5
150.03198	0.5
151.03923	0.2
161.02472	0.3
161.04535	0.8
165.05559	13.9
166.05914	0.8
167.03506	0.3
173.04614	0.2
177.05560	4.0
177.07074	0.2
191.05634	0.8
226.69208	0.2
235.13193	0.2
246.09155	0.3
253.08670	1.2
254.09012	0.3
295.09692	0.5
343.21506	0.2
387.80344	0.2
399.23758	1.7
400.24600	0.2
415.13956	8.4
416.14212	1.1
423.22379	0.2
459.13004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3337
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
56.27568	0.4
57.03439	0.4
58.00577	0.6
58.27520	0.5
59.01380	1.3
61.98830	1.5
65.45053	0.4
69.74468	2.4
71.05033	0.8
95.05032	0.6
97.06593	1.4
97.22270	0.4
101.06069	0.7
102.43448	0.4
106.69302	0.4
107.29843	0.4
107.64216	0.4
109.06551	0.5
111.08157	1.9
153.09232	0.6
172.47115	0.5
189.12839	7.0
191.14400	14.7
192.14688	0.7
265.18051	1.5
271.16977	0.5
289.18015	0.8
309.17255	0.5
353.21381	0.5
357.07394	0.9
388.99963	0.5
413.34402	0.5
421.31195	1.4
423.32809	1.2
425.34543	0.7
437.30484	1.2
439.32169	9.6
439.58972	0.6
440.32599	1.4
453.75000	0.5
454.27573	0.7
455.32077	0.6
457.33075	100.0
458.33499	13.7
467.31857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36182	3.7
55.01887	3.4
56.20723	3.5
56.91765	3.6
59.01379	63.9
62.13739	4.0
65.39138	3.7
68.99825	11.6
69.03448	12.1
69.39011	27.7
69.39421	8.0
70.02974	8.1
71.01379	27.4
82.99600	3.9
85.02950	4.7
86.02489	17.1
89.02448	39.9
98.19939	8.9
101.02445	17.7
108.57059	4.4
112.04044	69.7
113.02437	15.3
114.67010	4.4
119.03501	12.9
122.02493	36.1
131.05070	6.6
135.99835	5.0
137.04303	11.6
139.02243	4.3
156.03009	11.7
157.05362	5.4
158.08008	4.3
165.02495	6.6
165.03764	41.9
172.07738	5.7
182.02820	29.1
190.03337	6.3
200.07153	25.8
218.08261	8.3
226.01796	47.1
233.64209	4.1
234.05911	63.9
268.06467	14.4
278.04865	37.0
296.05927	42.6
298.99609	4.5
458.11191	100.0
459.11331	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	457.2957
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
52.76508	0.3
58.00581	0.3
59.01372	0.5
61.98822	0.6
71.01377	0.3
71.53566	0.4
72.96532	0.2
73.02940	0.9
78.95918	0.3
94.50352	0.2
140.13222	0.2
162.72946	0.2
203.45621	0.2
203.47737	0.2
360.97034	0.2
363.19733	0.2
367.26343	0.3
393.27951	0.5
457.29544	100.0
458.29889	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	457.2958
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
56.85222	0.4
57.03450	3.3
59.01110	0.6
59.01381	7.5
78.50588	0.5
83.05012	0.5
125.09752	0.4
189.12769	0.5
255.97363	0.6
256.67282	0.5
319.20596	0.5
335.23816	0.9
345.88132	0.5
375.26871	2.0
391.30011	2.3
395.29706	0.7
397.27417	24.4
398.27908	2.8
409.31082	1.1
413.25052	0.9
413.30563	16.5
414.30844	1.8
417.27869	0.7
437.30688	4.0
439.28351	6.0
440.28799	0.8
457.28934	100.0
458.29321	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	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
58.00582	2.3
59.01376	52.9
60.94304	1.0
61.98805	1.0
63.90619	1.2
71.01378	24.4
72.99298	1.8
73.02991	1.3
78.33117	1.2
83.01369	1.7
85.02951	6.8
87.00838	1.8
89.02438	31.7
93.03423	2.5
95.01364	3.1
96.95998	11.0
98.20598	2.9
98.40945	1.2
101.02432	22.5
113.02460	10.4
115.04004	4.9
119.03497	15.7
132.02222	1.8
133.02943	29.5
133.05038	2.2
134.03679	2.0
135.04512	19.9
137.02451	2.1
138.00557	1.1
143.03604	1.4
143.12138	1.2
149.06049	3.5
149.99635	1.4
159.87286	1.4
161.02431	94.9
162.02782	5.7
177.05547	4.0
178.05920	1.3
179.03481	15.5
179.05054	1.5
179.05611	1.0
191.05605	33.3
221.04533	5.6
251.05594	2.4
265.05051	3.4
281.06747	6.5
281.09247	1.3
295.10309	100.0
296.10788	5.6
341.08551	2.3
413.10919	1.8
457.12759	59.6
458.13358	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55204	1.2
59.01377	35.6
61.98827	2.4
69.03456	1.3
71.01374	22.2
72.25182	1.1
72.99289	2.4
79.95753	8.0
80.96490	2.5
83.01421	2.2
85.02955	8.5
87.00847	1.3
88.98792	1.7
89.02444	25.4
90.98326	1.2
93.03468	2.8
95.01388	2.4
95.79286	1.0
95.95232	11.3
96.96009	80.3
101.02445	13.8
108.02186	1.3
109.02943	3.4
113.02435	8.0
115.04002	1.4
119.03507	11.9
120.30901	1.1
121.02955	6.2
122.97594	3.2
123.00854	2.1
124.01641	1.9
125.02444	32.2
129.58260	1.3
131.03337	1.3
133.02946	9.4
133.05130	1.7
134.03749	1.4
135.04518	32.0
137.02443	3.8
149.06068	7.1
150.03174	1.8
152.30713	1.1
153.01965	1.2
161.02438	40.7
162.02933	2.2
166.06337	16.2
168.00648	6.1
169.01416	41.3
170.01814	1.7
177.05568	9.5
179.03488	26.4
180.03867	1.4
181.08728	4.1
191.05603	40.5
192.05975	2.6
211.03960	1.3
221.04549	11.2
245.43964	1.0
251.05663	3.6
259.02838	1.1
265.05023	2.6
275.02292	9.0
281.06671	8.5
285.51688	1.3
295.10327	89.0
296.10742	6.4
331.06961	1.4
341.08484	2.8
457.13116	100.0
458.13614	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	1.0
59.01377	35.7
60.56952	0.7
65.44710	0.7
68.69521	0.7
69.41451	0.7
69.78944	3.9
71.01025	1.2
71.01376	17.0
71.04990	1.5
71.79204	0.7
72.99265	2.2
73.02919	1.3
80.60060	0.7
81.03421	1.1
83.01353	2.0
83.04965	1.2
85.02947	13.2
85.91771	0.7
87.00842	3.2
87.04480	0.7
89.02442	22.0
93.03432	4.4
95.01338	2.2
95.95170	0.8
96.95974	2.0
97.02940	4.0
98.16327	0.8
101.02449	15.8
109.02924	1.4
109.72075	0.7
111.04443	0.8
113.02445	7.4
115.04005	15.3
119.02808	0.8
119.03500	9.9
119.04954	1.3
120.99556	0.9
123.00798	1.0
125.02411	3.9
126.95084	1.0
127.03988	2.1
132.02119	2.0
133.02953	25.6
133.05060	4.5
135.03525	0.9
135.04527	16.9
136.04935	0.8
137.02417	1.3
145.02965	1.0
149.06021	1.7
161.02432	90.1
162.02733	3.6
163.03987	1.7
169.01407	4.2
173.04500	1.9
177.05539	2.7
179.03479	13.0
181.05052	1.3
191.05600	75.7
192.05978	3.6
201.01141	0.7
211.03998	2.8
221.04510	3.1
237.05708	1.1
239.07124	1.5
251.05641	1.7
252.04333	1.8
262.04861	1.3
264.04193	1.9
265.04968	6.8
277.07056	2.1
281.06644	4.7
283.06055	2.6
295.10315	100.0
296.10696	7.4
331.06448	0.9
341.08755	2.0
343.10519	1.4
397.11417	1.9
457.13513	57.2
458.13910	8.0
470.24991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02187	1.1
51.22081	1.3
56.48293	1.1
59.01376	20.4
61.62318	1.0
63.83122	1.1
69.85765	0.9
71.01378	10.6
71.53082	2.0
79.95724	9.8
80.96521	4.3
83.30323	1.0
85.02968	1.7
88.67068	1.1
89.02440	10.8
93.03455	1.1
95.01388	1.8
95.95233	12.1
96.96011	100.0
101.02440	6.1
108.02174	2.7
109.02962	2.0
111.71404	1.1
113.02428	2.8
119.03485	4.1
121.02946	6.0
122.97556	4.2
124.01637	1.6
125.02415	5.1
133.02988	5.3
135.04521	19.8
149.06067	3.8
150.03258	2.9
152.01132	3.5
161.02452	20.8
163.04025	1.8
165.05629	1.8
166.06346	22.2
168.00659	2.5
169.01418	3.5
173.04695	1.5
177.05548	5.3
179.03490	11.2
181.08640	3.8
191.05592	10.8
221.04463	5.2
251.05629	2.1
258.01968	1.2
275.02283	10.1
281.06601	3.5
295.10321	39.3
296.10654	2.7
318.40067	1.1
387.37347	1.2
457.12479	64.6
458.13016	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	457.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02187	1.1
51.22081	1.3
56.48293	1.1
59.01376	20.4
61.62318	1.0
63.83122	1.1
69.85765	0.9
71.01378	10.6
71.53082	2.0
79.95724	9.8
80.96521	4.3
83.30323	1.0
85.02968	1.7
88.67068	1.1
89.02440	10.8
93.03455	1.1
95.01388	1.8
95.95233	12.1
96.96011	100.0
101.02440	6.1
108.02174	2.7
109.02962	2.0
111.71404	1.1
113.02428	2.8
119.03485	4.1
121.02946	6.0
122.97556	4.2
124.01637	1.6
125.02415	5.1
133.02988	5.3
135.04521	19.8
149.06067	3.8
150.03258	2.9
152.01132	3.5
161.02452	20.8
163.04025	1.8
165.05629	1.8
166.06346	22.2
168.00659	2.5
169.01418	3.5
173.04695	1.5
177.05548	5.3
179.03490	11.2
181.08640	3.8
191.05592	10.8
221.04463	5.2
251.05629	2.1
258.01968	1.2
275.02283	10.1
281.06601	3.5
295.10321	39.3
296.10654	2.7
318.40067	1.1
387.37347	1.2
457.12479	64.6
458.13016	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	455.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44962	0.3
66.25527	0.3
98.20671	0.9
160.84038	0.3
269.03885	0.4
455.35266	100.0
456.35599	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	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24593	0.5
54.25542	0.5
66.86273	0.6
69.93856	1.5
80.96535	0.7
98.20669	0.7
107.12146	0.5
170.12749	0.6
240.96501	0.5
298.13828	0.5
316.12012	0.6
326.20694	0.6
454.71063	0.6
455.35300	100.0
456.35577	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	456.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52142	0.7
59.01392	3.5
61.98829	100.0
70.50391	1.9
71.01387	2.6
79.95750	2.5
80.96508	0.7
85.02952	3.9
89.02452	2.5
93.03452	1.8
93.34437	0.8
95.07654	0.7
95.95242	2.0
96.96011	23.2
97.02975	0.8
101.02432	1.3
108.02164	4.7
109.03049	3.6
110.03318	1.5
120.99748	0.7
121.02957	1.4
122.97569	0.9
125.02441	7.2
133.02974	5.3
135.04521	4.6
137.02458	1.3
152.01129	4.6
153.01666	1.5
161.02437	16.6
162.02824	2.1
163.04015	1.0
166.06363	4.1
168.00656	1.7
169.01407	6.0
173.04532	0.9
179.03549	2.4
181.08656	1.0
191.05598	25.1
265.05096	3.0
275.02377	2.8
290.45737	0.8
295.10193	4.1
311.50110	0.8
316.07895	1.2
331.06815	1.4
397.88651	0.7
413.10898	1.3
438.11136	0.8
456.11383	6.2
457.11716	13.2
457.17493	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31629	0.5
54.03042	0.5
57.60750	0.5
59.01378	69.9
60.01725	0.8
64.54039	0.5
71.52484	0.5
78.96007	0.4
103.78832	0.5
145.02975	1.4
160.30070	0.6
171.10323	2.1
201.11349	1.2
275.20102	2.7
282.00342	0.5
293.21213	4.3
294.21600	0.8
311.22244	2.9
335.22162	5.0
336.22623	0.9
353.23267	5.4
354.23474	0.5
371.24521	1.1
377.28510	0.7
395.24350	0.7
413.25430	4.0
455.31827	100.0
456.32190	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	455.2649
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01861	1.2
57.03434	1.2
57.40259	0.3
58.00591	2.2
59.01380	40.3
69.79702	1.8
71.01380	21.9
71.01725	0.4
72.14433	0.4
72.99313	1.9
73.02955	2.0
78.95913	0.4
83.01389	2.5
84.02158	0.3
85.02950	6.2
87.00891	0.4
89.02443	19.5
90.09924	0.3
95.01420	1.9
99.00869	0.6
101.02440	11.9
111.08155	0.6
113.02444	8.7
113.09718	0.4
119.03492	6.4
131.03430	0.4
138.18092	0.3
143.03412	0.4
161.04602	0.4
179.05577	0.4
179.14381	1.5
181.12386	0.6
191.05650	0.4
195.13882	0.9
205.16051	0.8
223.13359	1.5
231.20982	0.4
275.20175	5.7
276.20453	0.6
277.21762	1.0
293.21216	25.8
294.21573	2.3
437.25391	0.6
455.26480	100.0
456.26804	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	455.3165
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
59.01367	0.2
61.98832	0.4
70.26970	0.6
73.58609	0.2
139.29179	0.2
158.89195	0.2
346.34293	0.2
375.27249	0.2
377.28461	0.9
378.28931	0.2
379.30145	0.2
391.30322	0.2
407.29541	1.3
455.31732	100.0
456.32095	14.6
456.38638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35866	0.3
58.92881	0.3
70.84612	0.8
88.82441	0.3
103.16071	0.3
153.09238	0.4
305.84641	0.3
455.35263	100.0
456.35641	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	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07379	0.3
55.74422	0.3
58.67084	0.3
71.16216	0.4
71.16528	0.3
78.37830	0.3
106.82252	0.3
181.48457	0.4
333.90622	0.3
355.56543	0.4
455.35281	100.0
456.35629	16.4
484.54269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3526
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
70.67656	0.2
70.83076	0.3
70.83427	0.4
74.02270	0.2
83.14485	0.2
135.47260	0.3
173.33098	0.2
230.02928	0.2
339.53165	0.2
354.45618	0.2
407.33078	1.1
408.33997	0.2
455.35263	100.0
456.35623	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	455.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.7
57.03441	5.0
59.01379	95.3
61.98833	7.3
63.25709	1.8
65.49439	1.5
69.38277	13.3
71.01382	46.4
72.99297	1.6
73.02943	16.2
75.00913	1.9
77.21592	1.6
78.95889	3.3
83.01392	11.5
85.02954	21.3
87.00871	3.2
89.02444	15.9
93.03465	3.8
95.01350	3.7
97.02936	2.2
97.06606	1.8
99.00886	5.0
100.12355	1.5
101.02444	52.5
104.83232	1.7
106.53192	1.5
109.02905	2.7
111.00851	2.7
113.02451	17.3
113.75366	1.8
121.02988	1.8
125.02448	4.4
129.01952	1.9
131.03505	35.2
133.02930	3.0
137.26143	2.3
143.03471	2.1
145.96523	1.8
149.04568	3.4
152.01096	2.0
159.02962	1.9
161.02419	7.5
161.04523	10.5
161.05739	2.1
184.97324	1.7
191.05598	5.4
213.15976	2.0
247.02423	3.8
261.09271	1.7
263.14978	100.0
264.15277	4.2
273.35849	1.7
274.24091	1.6
275.12109	1.7
298.98361	2.1
299.99005	2.0
301.90298	1.8
315.01144	1.9
395.19168	89.6
396.19528	7.2
455.15198	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23694	1.0
53.11790	1.0
59.01117	1.6
59.01380	21.4
60.95927	1.0
61.98544	1.3
61.98830	14.6
69.03432	1.1
71.01370	16.0
71.05006	1.2
71.29498	1.0
71.53947	1.0
72.99303	2.1
73.02920	2.0
81.03445	2.6
83.01366	1.4
83.04984	3.2
85.02959	5.3
85.06571	5.0
87.00877	2.0
89.02441	11.8
93.03412	1.5
95.01408	1.2
96.95966	1.6
99.04490	3.7
101.02458	9.9
103.05550	1.7
109.02953	2.1
113.02419	4.3
113.06072	2.7
117.05570	5.8
118.13582	1.0
119.03529	5.0
119.04987	1.5
121.02872	1.6
125.02419	2.3
127.03979	2.4
131.07133	26.2
133.02953	24.4
134.03416	1.6
135.03519	1.6
135.04510	12.0
145.04076	1.1
145.05080	12.5
145.06223	1.5
145.06648	1.5
146.06134	1.4
147.04523	50.8
148.04857	2.4
149.05978	1.8
151.00356	1.1
153.01857	1.4
161.02441	98.8
161.06021	9.0
162.02769	7.8
163.02942	1.4
163.06039	5.7
177.05617	1.4
179.03496	8.7
179.04871	1.6
189.05548	2.4
191.05586	5.8
221.04408	3.0
245.00870	2.1
251.05469	2.7
280.42917	1.0
281.06558	4.7
293.12433	54.6
294.12585	2.4
307.10428	5.9
341.08731	1.6
397.97672	1.1
433.36105	1.1
437.13843	1.4
448.56464	1.3
455.15344	100.0
456.15771	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	453.3368
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.78499	0.3
59.01373	0.8
69.91554	1.5
74.87206	0.3
97.06578	0.3
98.20594	0.6
99.04559	0.4
117.10181	0.4
119.17397	0.3
130.45409	0.3
136.80318	0.3
261.00925	0.3
279.23251	3.2
299.89374	0.4
315.38437	0.3
360.10486	0.3
391.30151	0.4
407.33118	1.1
453.33704	100.0
454.34048	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	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66262	0.6
61.98829	100.0
63.76140	0.8
69.23042	6.7
78.95904	2.0
98.20648	1.5
135.04593	1.0
145.02383	0.8
151.19374	0.8
169.01501	1.0
191.05576	1.5
304.82489	0.7
383.03680	0.7
455.31656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79844	0.3
59.01377	2.1
61.98822	0.9
63.69940	0.3
66.00890	0.3
66.06749	0.3
71.01380	0.4
71.53985	0.4
76.89412	0.3
78.95889	0.5
84.69385	0.3
90.35603	0.3
93.03471	1.2
104.58141	0.3
108.82602	0.3
119.05025	100.0
120.05363	3.9
121.02946	0.4
125.34978	0.3
135.04533	0.5
147.04478	0.6
161.06108	0.3
163.04007	71.6
164.04346	3.2
174.66353	0.3
191.05608	0.9
359.95947	0.4
417.45581	0.3
455.35385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	31.6
61.98819	9.2
69.38777	44.4
69.39117	9.0
70.97436	5.3
71.01363	7.8
73.88155	5.3
76.97890	5.5
85.02930	8.9
87.04498	16.9
89.59773	5.8
93.03445	27.4
98.19850	10.0
101.02478	8.4
124.01616	11.9
125.02413	26.0
133.02914	24.2
134.03720	10.6
135.04533	10.7
135.81738	5.1
137.02457	33.8
138.02747	11.5
149.99516	17.6
150.99944	10.7
161.02440	45.5
168.00653	44.0
169.01135	20.5
170.01122	19.4
179.03513	13.3
180.78070	6.0
191.05608	56.7
258.37436	5.4
315.06165	15.5
333.06989	24.4
407.99710	6.7
421.14743	7.3
453.09357	100.0
453.16684	46.7
453.22763	20.8
454.09512	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82644	4.6
56.59874	5.3
57.03449	5.3
59.01108	7.6
59.01378	100.0
61.98821	9.5
69.18402	56.5
70.37345	6.0
71.01376	46.4
72.99307	8.3
75.28268	4.7
85.02946	17.5
87.00854	16.7
87.04513	31.5
89.02441	52.4
92.15166	5.8
93.03458	8.4
94.93765	5.1
98.19922	10.9
101.02439	35.7
103.04021	9.8
113.02433	15.4
119.03494	25.2
132.02184	5.5
133.02942	19.9
134.03683	7.7
135.04539	10.8
136.04964	5.2
137.02449	8.0
147.04517	12.8
152.08441	11.8
161.02432	45.1
169.01454	10.5
174.41275	7.0
179.03477	10.0
179.05592	6.7
191.05592	14.3
193.06044	12.6
203.10890	6.2
230.41698	5.5
280.12006	6.0
292.05048	5.4
299.99042	6.3
324.70944	4.9
439.54388	5.8
453.00668	6.1
453.17416	51.9
453.23257	27.4
457.81818	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	453.301
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
63.04985	0.3
71.53165	0.4
71.53529	0.4
74.18718	0.3
81.33786	0.3
99.04536	0.7
115.92032	0.4
129.41718	0.4
148.53346	0.4
269.27847	0.4
363.26810	0.8
391.26059	0.5
407.29483	2.7
408.29999	0.7
448.00052	0.4
453.30023	100.0
454.30399	16.8
454.39917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03427	1.4
58.00572	1.6
59.01376	100.0
61.98803	2.8
69.03457	1.0
69.27782	2.5
69.28197	5.8
71.01381	33.3
72.99308	2.3
73.02935	2.1
78.95926	1.3
83.01363	1.8
85.02945	6.9
87.00869	1.9
89.02441	61.7
90.02779	0.9
95.01373	1.5
99.00870	2.2
101.01808	1.5
101.02449	22.4
107.22849	1.1
113.02435	13.3
119.03488	12.6
122.02343	0.9
125.02425	1.4
131.03497	39.9
131.04477	2.3
132.03778	1.3
135.04427	1.3
137.02435	2.3
143.03490	3.3
149.04550	26.7
150.04912	1.0
161.02440	1.1
161.04587	4.6
165.01915	4.6
169.01404	0.9
170.88431	0.9
173.04538	1.0
179.03494	2.3
179.05600	18.7
179.07047	1.8
180.04268	3.1
180.05785	1.1
191.04001	1.5
191.05606	18.5
195.06598	3.5
221.06604	1.6
225.07584	2.7
227.09238	1.7
251.07655	1.3
261.13367	9.5
314.98587	1.0
393.17581	8.6
394.17892	1.4
405.15613	2.1
406.58127	1.1
453.19608	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	453.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56641	0.3
55.01861	0.3
56.81536	0.3
59.01382	3.9
61.98830	4.0
64.13796	0.3
68.87084	0.3
69.31924	0.8
69.32336	1.3
71.01379	3.1
72.99300	0.3
73.02945	0.8
83.01385	0.5
85.02943	1.8
87.00863	0.5
88.68637	0.3
89.02456	1.5
89.03967	0.3
93.03458	1.5
95.01388	0.7
96.96010	0.5
97.02966	0.5
99.00872	0.5
101.02428	2.0
105.03427	0.6
107.01385	1.0
109.02934	0.3
109.06533	0.4
113.02453	0.8
114.21638	0.3
117.03468	1.6
118.06590	0.3
119.03494	0.3
120.99651	7.9
123.00870	1.1
123.04552	0.4
125.02441	5.9
126.02783	0.4
131.27950	0.3
132.02219	1.6
133.02959	34.1
134.03334	1.2
135.04524	8.2
137.02454	1.8
137.06256	0.3
143.05330	0.3
146.06117	0.4
147.04474	0.9
161.02435	100.0
162.02773	4.7
163.03932	0.3
168.00537	0.4
169.01427	8.0
170.01744	0.7
173.04509	0.3
179.03496	3.7
191.03827	0.4
191.05589	2.2
192.05927	1.6
193.06023	2.3
194.06375	1.0
195.06537	0.7
221.04384	0.4
241.09645	0.3
262.96478	0.3
301.04581	0.9
317.03989	0.4
377.05078	2.6
377.55301	1.1
393.08377	0.3
453.17664	60.4
453.55801	0.4
454.18057	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	453.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.3
61.98826	0.5
69.03474	0.5
70.21372	0.9
70.21769	1.0
71.01379	4.1
72.90429	0.4
73.02934	0.7
78.95893	1.0
83.01376	0.9
85.02951	1.4
89.02438	3.1
93.03431	0.7
101.02451	2.9
101.43784	0.4
105.03472	0.7
107.05023	1.0
108.44092	0.4
109.02980	0.7
113.02436	1.6
113.33347	0.4
117.03455	0.7
119.03493	0.9
119.05023	0.8
120.99506	0.5
123.04504	0.6
125.02443	1.6
132.02156	1.4
133.02956	30.4
134.03828	0.7
135.04517	17.5
136.04797	0.4
137.02451	1.6
146.41284	0.4
149.06076	1.9
151.03961	0.4
161.02432	100.0
162.02773	4.3
163.04022	1.3
169.01361	1.2
173.04536	0.6
175.43289	0.5
177.01921	4.6
177.05553	4.6
179.03491	15.6
180.03848	0.8
187.07907	0.5
191.05618	1.8
193.06033	0.6
195.06610	0.4
203.03549	0.7
221.04544	5.8
222.04913	0.5
233.04698	0.4
247.11980	0.5
251.05592	5.7
252.05797	0.5
281.06592	10.4
282.06857	0.7
291.10852	3.1
329.65314	0.4
339.07196	1.0
341.08719	3.2
409.15076	7.4
410.15283	0.9
435.13040	3.3
453.09137	1.6
453.14050	30.5
454.14328	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03417	0.2
58.85566	0.2
61.36993	0.2
61.98799	0.2
70.27889	0.6
78.75171	0.2
78.95900	19.1
94.84502	0.2
122.00128	0.6
140.01181	5.0
152.99573	1.6
166.02800	0.3
183.33017	0.2
196.03787	9.5
214.04842	2.0
215.05173	0.2
255.23268	100.0
256.23627	8.3
256.26340	0.3
260.14337	0.2
389.80548	0.2
452.27786	22.9
453.28177	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77273	0.7
59.01375	2.4
61.98821	9.6
67.01878	1.1
69.03459	1.9
70.36463	1.8
71.01369	4.4
72.99344	0.8
73.02941	0.8
75.00871	1.0
76.91897	0.8
78.91884	9.0
78.95900	0.8
79.01884	1.9
83.01387	1.2
85.02957	2.4
93.03459	1.2
95.01390	3.1
96.95998	4.5
97.02956	6.6
98.95593	5.1
98.96253	0.8
99.00935	0.9
99.92587	6.0
100.93351	1.1
101.02460	2.1
107.01380	6.9
108.02179	0.8
109.02925	1.0
111.00870	3.4
113.02457	1.4
114.93410	1.1
115.92075	8.5
116.92838	1.1
121.02923	0.9
123.00884	18.8
123.04485	1.6
124.01667	25.4
125.02453	37.0
126.02798	1.3
126.25166	0.6
127.00443	1.2
133.03052	0.6
135.04527	2.7
136.98831	2.2
137.02467	0.7
138.03230	1.1
139.00388	6.3
139.03996	10.2
140.01190	4.9
141.01927	1.2
151.00346	9.3
151.03951	1.5
153.01965	0.8
154.50035	0.6
161.02531	0.8
167.03433	1.1
168.00642	6.4
169.01414	38.5
170.01779	1.1
172.06061	0.9
179.03487	1.5
183.02951	6.3
191.05551	3.5
211.02419	1.0
215.95178	1.3
217.18779	0.6
217.96657	2.4
218.97517	3.0
225.04034	0.7
226.04285	0.7
255.05022	0.9
262.96475	5.3
278.96042	0.9
285.06271	1.7
297.06183	1.8
313.05664	6.9
314.05905	0.8
327.07294	2.2
373.00201	12.1
374.00568	2.3
391.01324	1.0
434.99808	1.8
435.09476	1.5
453.10379	100.0
454.10620	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52930	1.5
53.63192	1.5
59.01378	88.0
60.01713	10.4
61.01797	11.2
61.98829	100.0
69.03448	3.7
71.01389	7.2
72.01725	1.7
85.02946	6.6
85.15931	1.6
89.02439	5.5
93.03436	8.1
94.03777	3.0
96.96007	7.7
101.02434	6.5
109.02953	5.4
111.00813	1.8
113.02401	2.7
120.99657	2.0
125.02456	28.9
126.02757	10.5
130.56842	1.6
133.02942	5.9
135.04521	6.7
137.02460	17.8
138.02745	7.7
153.01889	3.5
161.02396	11.0
161.04549	2.6
168.00554	1.8
169.01419	38.0
170.01779	19.0
173.04512	4.2
174.04759	2.5
175.03996	2.4
179.03421	3.2
179.66716	2.0
180.04247	2.4
191.05602	22.2
192.05949	5.1
196.56548	1.7
209.25400	1.5
246.01328	2.0
274.00635	2.5
300.07895	2.1
331.06750	5.0
332.07034	9.6
371.13647	2.4
392.23563	2.8
452.09021	35.4
453.09033	2.7
453.14166	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	452.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52123	11.1
55.24022	10.5
59.01371	61.5
61.98830	62.8
69.03111	10.2
69.03455	47.7
69.08065	10.4
71.01368	12.3
83.13239	10.9
89.02454	25.7
94.83041	12.6
96.96012	40.6
98.19787	20.6
101.02404	16.4
106.94836	10.4
111.56361	12.3
114.70937	11.6
118.81841	11.4
121.06590	33.8
144.78719	10.9
165.05534	10.9
192.05942	15.1
345.11819	18.2
389.10818	100.0
406.23438	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	452.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47729	7.6
56.60548	7.5
59.01382	44.4
61.98825	37.3
63.30999	7.8
69.03462	46.5
69.68699	23.9
69.69112	19.0
71.01399	15.0
89.02432	18.6
95.04998	7.9
96.96010	100.0
98.19995	15.7
98.95596	8.5
99.92559	8.6
101.02434	10.4
119.03510	8.4
121.06590	18.8
135.80312	7.1
165.05499	17.1
191.05580	48.1
192.05908	13.9
218.97652	8.4
231.42570	8.8
247.02522	11.8
249.22612	8.7
262.96271	10.0
345.12000	14.9
349.42587	8.4
354.08945	8.8
372.99936	12.7
389.10892	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93877	0.2
58.02972	0.3
59.01382	1.5
61.98818	0.8
67.01890	0.3
67.93745	0.2
69.03450	0.7
69.25629	1.3
71.01370	0.7
72.95495	0.2
76.00142	0.2
78.01175	0.2
80.05062	0.3
81.03455	9.2
82.03817	0.3
83.01381	0.2
83.05023	25.4
84.05368	0.6
85.02945	1.0
87.00865	0.6
87.01376	0.2
93.03460	2.4
94.03789	0.4
96.96007	0.5
97.02946	0.4
97.06571	0.7
99.87235	0.2
100.07681	0.3
101.02452	0.4
107.06152	0.8
108.04566	1.3
109.02949	0.4
111.04516	0.7
111.98395	0.2
123.00878	0.7
124.01665	1.8
125.02444	3.4
125.07207	2.7
126.05602	0.4
127.03985	0.2
131.98569	0.2
135.04526	4.0
136.04831	0.2
137.02414	1.7
143.08258	1.6
149.99585	2.9
155.03496	0.6
157.13550	0.2
159.04567	0.2
161.02429	0.5
161.04631	0.2
161.06001	0.3
161.32536	0.2
168.00633	5.1
169.01299	0.6
173.04597	1.7
173.05997	0.3
174.04965	0.2
174.06764	0.2
175.03944	0.2
175.07686	0.3
176.04741	0.5
177.09193	1.1
177.37340	0.2
179.03415	0.3
187.07626	0.8
188.08046	0.3
189.05562	0.2
189.09238	0.8
191.05608	5.8
192.05936	2.3
193.06056	2.9
202.06100	0.2
202.07867	0.2
204.07941	0.5
205.08685	0.5
207.14999	3.4
215.10719	0.7
217.08667	0.2
224.17680	4.7
225.16072	12.0
225.17761	0.4
226.16342	0.7
231.10146	0.4
233.11919	1.8
242.18658	1.5
247.04851	0.2
250.15529	0.3
258.08521	0.3
259.08887	0.3
273.08017	0.2
275.09238	0.3
276.09641	0.3
277.10791	8.3
278.11124	0.8
281.06763	0.5
290.22363	0.3
309.21860	0.6
313.05685	0.5
324.26553	1.6
329.05206	0.2
331.06580	0.9
333.22971	3.8
334.23340	0.3
339.27344	0.2
351.24005	0.8
367.27130	1.5
368.27652	0.2
385.28131	0.3
433.31787	5.5
434.32227	0.7
451.08826	8.0
451.15860	2.8
451.32864	100.0
452.09250	1.1
452.33179	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	451.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37506	0.9
57.03437	1.0
61.56115	1.0
61.98820	1.7
67.11920	0.8
69.50761	1.1
71.01385	2.5
71.05006	1.3
72.99302	6.2
78.95898	3.9
81.03482	1.4
83.05023	3.0
84.02166	2.6
85.02940	1.8
97.02959	0.9
97.06587	11.4
98.19892	2.6
99.08144	2.9
109.06624	1.3
111.08118	1.3
112.54874	1.0
112.84376	0.9
115.07658	2.8
125.06075	41.1
125.09704	3.8
127.07627	10.4
135.08147	1.7
137.09720	1.1
139.07635	2.9
143.07130	93.7
143.30031	1.0
144.07492	2.8
151.72502	1.0
152.99599	5.0
153.09181	4.6
155.10748	1.9
163.11258	3.5
165.12822	1.5
171.10214	7.2
178.09987	3.4
181.12125	1.1
185.11786	14.3
191.05635	3.5
191.10793	1.4
197.11816	15.4
198.12210	1.5
209.11810	62.9
210.12111	3.1
227.47458	1.0
238.12044	4.9
239.16609	1.4
245.19173	1.5
251.16660	1.1
256.13077	1.8
257.62863	1.1
263.20203	1.7
279.19662	1.4
281.21375	0.9
289.17957	7.1
307.19125	78.8
308.19498	7.3
325.20169	100.0
326.20535	6.9
389.28159	1.1
451.26993	20.4
452.27222	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	451.2851
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
54.63187	0.5
61.98808	0.8
71.52666	0.6
72.48394	0.4
87.30302	0.5
93.86700	0.5
101.48263	0.4
103.86618	0.4
120.36376	0.4
179.03499	0.5
189.09132	2.8
191.05576	1.3
201.07405	1.0
201.09186	13.2
202.09526	0.7
203.10817	0.5
214.30690	0.5
301.21689	1.2
335.20233	2.9
361.21689	1.0
375.23227	0.7
377.24719	6.6
378.25159	0.8
390.26001	1.0
391.26413	6.7
392.27121	2.4
405.28006	3.8
407.29608	2.6
451.28516	100.0
452.28806	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	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.30288	0.4
52.33557	0.4
59.01378	4.7
61.98849	1.0
69.61619	2.3
71.01376	1.5
73.02941	0.4
84.37346	0.4
85.02950	1.1
86.08458	0.4
89.02446	1.6
93.03460	3.8
94.93075	0.4
95.76608	0.4
101.02425	1.5
103.18456	0.4
106.04238	1.7
107.05035	0.5
109.02943	1.7
111.00885	1.2
119.03455	0.7
120.51147	0.4
121.02962	5.2
130.86755	0.4
132.02176	0.5
133.01443	0.5
133.01932	0.7
133.02960	25.7
134.03748	38.8
135.04552	12.1
136.04831	0.8
137.02446	30.9
137.95241	0.4
138.00407	0.4
138.02791	1.0
139.04013	10.3
139.56665	0.4
140.04362	0.6
149.02454	1.2
150.03253	4.2
161.02441	14.9
162.02843	0.8
163.03975	0.6
165.01884	1.2
173.04530	1.1
177.01830	0.5
178.02719	16.4
178.04276	0.9
179.03464	5.5
189.01871	0.6
191.05592	4.4
192.05954	1.2
193.06070	1.0
227.07147	2.4
229.53308	0.4
245.08228	2.0
271.06055	1.0
289.06897	0.8
329.14328	0.4
341.06717	2.2
407.13525	4.3
451.12393	100.0
452.12842	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	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02616	0.7
50.07785	0.6
57.03413	0.8
59.01377	100.0
60.01723	0.8
61.98812	0.6
69.03467	1.2
71.01374	9.6
71.30804	1.2
73.02943	6.2
81.97158	0.6
83.01411	1.7
85.02522	0.6
85.02973	3.0
85.80989	0.6
87.00893	1.0
89.02448	8.5
93.03465	1.6
95.01350	0.7
96.96038	2.1
99.00957	0.8
101.02436	12.8
108.02200	2.6
109.02956	4.0
113.02461	5.5
119.03486	3.7
125.02438	1.4
131.03505	0.9
137.02422	1.3
143.03586	1.8
149.04594	1.3
150.75986	0.6
152.01144	3.2
153.01952	3.8
161.02443	0.7
161.04587	4.2
167.03548	0.8
169.01440	1.8
179.03622	0.6
179.05696	1.0
187.13409	6.1
191.05621	4.1
227.71558	0.7
315.07483	0.9
331.17581	5.9
332.38971	0.7
349.18668	12.8
361.57422	0.7
391.19742	10.9
391.24036	0.9
451.08755	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	451.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
61.98825	5.2
67.01873	0.8
69.03465	2.2
69.49076	2.9
71.01382	4.0
73.02940	1.5
79.01881	1.4
81.03459	1.5
83.01385	1.7
85.02948	1.9
87.00862	1.0
89.02451	1.4
93.03452	10.9
94.03772	0.9
95.01372	1.7
96.96015	1.8
97.02937	2.8
98.19837	0.9
100.76087	0.5
101.02431	2.7
107.01394	1.5
108.02215	0.6
109.02937	0.8
111.04514	0.5
113.02441	1.1
121.02934	1.3
123.00877	9.3
124.01661	21.8
125.02448	43.8
126.02773	1.1
135.04521	0.6
136.01662	1.1
137.02441	19.8
138.02777	0.9
141.07825	0.4
147.04504	0.4
149.02452	0.7
149.99582	40.7
151.00369	2.8
151.04004	0.6
161.02490	0.7
161.04529	0.6
167.03493	1.1
168.00630	67.1
169.01399	9.9
170.01772	0.6
173.04454	0.7
179.03488	1.2
181.05128	0.5
187.07591	0.5
191.05602	8.5
192.05971	2.8
193.06093	3.1
211.02333	0.5
229.00800	0.4
239.05585	0.7
259.08731	0.6
271.02490	0.6
281.06680	5.1
282.07059	0.5
313.05612	3.0
331.06693	11.0
353.08859	0.6
433.07703	2.5
451.08771	100.0
452.09161	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	451.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30490	0.7
57.03446	0.9
59.01377	11.2
60.99303	1.9
61.98824	3.1
66.05382	0.6
67.01881	4.9
69.03452	3.4
69.50160	4.9
69.90572	0.6
71.01379	6.9
73.02951	2.2
78.95933	0.7
81.03455	1.9
83.01383	1.6
85.02944	7.0
87.00881	6.4
89.01295	1.0
89.02449	1.8
93.03454	62.2
94.03783	8.3
95.01380	2.2
95.03949	1.1
96.96014	2.3
97.02952	2.0
99.00850	1.0
99.04535	0.8
101.02447	2.1
107.01395	2.1
108.02198	1.6
109.02964	2.1
111.04505	4.8
112.04919	1.3
113.02466	2.5
115.00349	0.7
121.02937	1.5
123.00873	7.6
123.04488	0.9
124.01655	18.0
125.02445	34.2
126.02835	1.1
127.04026	1.2
133.02960	2.7
134.03754	2.2
135.04573	5.5
136.01677	1.4
137.02440	58.6
138.02795	2.2
149.99580	30.2
151.00336	3.2
151.04024	1.2
153.48199	0.7
155.03499	1.1
160.01636	1.4
161.02406	3.0
161.04591	0.7
167.03493	1.7
168.00632	69.4
169.01367	8.3
173.04549	11.4
173.05881	1.2
174.04865	5.4
175.05072	5.5
178.92708	0.7
179.03511	0.8
191.05603	34.2
192.05940	12.1
193.06049	11.1
194.06398	0.7
227.03548	4.0
231.10114	1.2
232.10661	1.4
233.11017	1.1
236.57159	0.7
257.08215	1.1
258.08310	0.8
259.08777	1.4
269.06653	1.0
275.09348	1.9
276.09619	2.1
277.09857	3.4
313.05643	17.9
314.06033	1.6
331.06674	36.8
332.07028	2.5
351.20297	1.0
353.08383	1.1
436.87967	0.9
451.08902	100.0
451.15277	17.6
452.09204	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	451.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06532	0.2
59.01376	1.2
69.68399	0.2
71.00905	0.5
79.95737	2.5
85.02950	0.9
87.00880	0.3
93.03474	0.5
96.96008	100.0
109.02940	0.3
111.04485	0.2
113.92613	0.3
133.52086	0.3
135.04521	0.5
161.02444	0.8
179.03497	0.5
191.05603	18.5
192.05904	0.8
228.43683	0.2
351.47766	0.3
353.08765	3.5
354.09293	0.3
371.00571	0.3
451.08771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86150	0.3
59.01365	0.4
61.59571	0.3
63.23262	0.3
69.27882	2.5
74.78529	0.4
78.95901	1.1
81.03459	0.4
85.02947	5.8
87.00871	1.5
89.16667	0.3
93.03438	2.1
96.95376	0.8
96.96010	14.4
96.96992	0.9
98.08976	0.4
98.42286	0.4
101.46868	0.4
109.02953	0.6
111.04508	0.5
127.03965	1.8
135.04549	1.0
161.02393	2.0
173.04495	0.8
173.35507	0.3
179.03494	0.7
183.61339	0.3
191.05606	100.0
192.05954	3.9
353.08771	11.4
354.09131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85344	0.9
59.01376	100.0
60.01712	7.4
61.01791	4.0
61.98826	84.1
67.01899	2.0
69.22495	9.4
71.01379	11.7
73.02943	4.0
83.01390	1.6
85.02946	7.7
87.00863	3.8
89.02435	6.8
89.35791	1.0
90.02740	1.4
93.03457	12.6
94.03799	1.5
95.01379	2.4
96.96000	3.3
97.02965	1.2
98.20669	2.2
99.00865	1.3
101.02454	8.5
107.01357	2.4
108.02169	17.8
109.02232	2.0
109.02950	31.3
111.00869	1.1
111.04498	2.3
113.02417	5.1
115.00388	1.2
119.03486	2.6
123.00861	2.9
123.04451	1.0
124.43999	1.0
125.02427	3.3
127.03997	1.5
135.04546	1.6
137.02420	2.8
143.03433	1.7
151.04051	1.6
152.01141	23.0
153.01935	27.2
155.03488	1.1
159.04349	1.0
161.02415	2.4
161.04565	3.8
169.01392	3.9
173.04564	4.0
174.04837	1.6
179.03487	1.6
187.07672	1.2
187.13400	2.4
188.07944	2.8
191.05597	44.1
192.05919	12.7
211.02370	1.7
232.10468	1.4
257.08087	1.7
258.08511	2.2
275.09247	3.0
276.09442	5.5
297.06165	5.6
308.75916	1.0
315.07193	5.2
331.17648	2.7
349.18613	7.9
390.21722	2.9
391.19656	4.7
407.09845	8.2
451.08676	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46040	0.4
59.01377	3.2
61.98821	1.3
67.01886	1.0
71.01372	0.5
71.53651	0.6
73.67241	0.5
78.33045	0.4
78.95902	17.7
85.02954	0.8
87.00862	1.2
93.03449	4.7
96.96039	0.7
96.96954	2.0
111.04543	0.8
116.92882	2.5
117.03462	1.4
121.02968	1.0
132.02097	0.7
133.01939	0.8
133.02954	21.8
134.03781	6.4
135.04527	33.0
136.04828	1.2
137.02435	2.8
139.03969	1.0
150.97983	0.9
152.99582	29.7
161.02437	100.0
162.02744	4.5
171.00598	1.6
173.04565	3.1
178.02747	0.5
179.03485	11.8
180.03772	0.7
191.05621	7.7
206.37320	0.4
206.47713	0.4
216.57672	0.4
257.08179	0.7
266.85950	0.5
269.21201	0.9
273.03152	0.6
275.09125	0.5
287.22272	9.8
288.22650	0.8
301.03265	1.2
302.03491	1.3
303.04214	0.8
318.80304	0.5
431.24414	2.4
432.24585	0.9
449.09381	1.1
449.14853	2.1
449.25473	65.6
450.25742	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	450.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23727	0.4
59.01376	4.2
60.01716	1.0
61.10388	0.4
61.98829	100.0
67.01901	0.5
69.27512	3.1
69.27921	1.2
71.01384	0.9
76.01327	0.4
83.04987	0.7
85.02959	1.6
87.00891	0.8
89.02428	0.7
93.03464	3.3
94.03821	1.2
98.20600	0.9
100.49576	0.5
101.02415	0.6
109.02945	0.6
111.04539	1.2
111.48701	0.5
112.04925	0.4
113.02457	0.6
123.00800	0.5
124.19349	0.5
153.01945	0.4
155.03491	1.2
156.03862	0.8
173.04523	1.3
174.04971	0.4
187.07642	1.1
188.07974	0.8
191.05594	15.2
192.05962	6.6
193.06174	0.6
231.10107	0.4
232.10599	0.7
257.08182	1.0
258.08606	1.4
275.09528	0.6
276.09760	0.9
283.26785	0.4
317.02640	0.6
339.98242	0.5
390.22379	0.5
450.08554	0.8
450.15094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.47384	0.8
59.01373	3.9
64.71510	0.9
65.63285	0.9
70.77776	0.9
71.01385	0.9
71.53615	1.4
72.99307	6.2
78.95908	4.5
79.68951	0.8
80.02692	1.3
81.03448	2.0
82.35522	0.9
83.05024	6.5
90.67317	0.9
91.56551	0.8
93.03490	4.4
93.03983	0.9
95.05031	1.5
97.06573	10.2
99.08127	1.1
107.05032	7.1
109.06578	2.3
110.03728	0.9
113.06011	1.0
123.08150	1.5
125.06081	50.5
125.09734	4.7
126.06374	1.3
135.04520	2.1
135.08116	3.2
143.07140	100.0
144.07397	4.2
152.99611	1.4
153.09209	8.4
159.04202	1.0
161.09724	1.1
163.11343	5.8
165.12827	2.8
170.05852	1.0
173.04529	3.4
176.08356	1.9
178.09964	2.9
181.12321	1.9
185.11839	2.2
191.05641	10.4
191.10715	1.8
197.11848	13.2
198.12157	1.0
207.10237	7.4
208.10661	0.9
209.11821	84.1
210.12112	5.0
225.11246	7.5
236.10463	2.1
241.10811	3.0
243.17458	2.0
245.15588	1.3
261.18610	4.5
277.18158	2.4
279.19629	2.8
287.16476	7.9
301.03177	1.0
303.03711	1.0
305.17566	95.6
306.17908	10.6
323.18604	37.1
324.18924	4.7
431.23779	0.9
449.09427	1.2
449.25406	12.1
450.25833	1.4
452.96878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64856	0.9
59.01379	100.0
59.63381	1.0
60.01709	1.5
61.98819	3.7
68.17174	0.9
69.01542	1.0
70.35391	3.1
71.01389	6.1
71.86651	0.9
72.65795	1.0
73.02932	1.3
85.02960	6.1
87.00864	2.2
89.02432	3.7
90.98602	3.2
93.03452	4.5
96.96016	9.7
101.02470	4.8
109.02953	6.9
111.04504	2.0
113.02459	1.7
119.03508	1.8
125.02441	2.9
135.04495	1.3
151.00391	1.3
155.03514	1.6
158.03699	1.6
159.04478	2.2
161.04564	5.3
173.04533	4.9
173.05986	1.8
174.06754	1.0
187.07581	5.7
191.05603	33.5
192.05870	1.2
202.06326	1.8
203.10777	2.0
213.09247	1.4
229.01411	1.0
231.10214	3.3
257.08121	1.6
259.06082	4.5
269.04514	3.3
275.09244	16.0
276.09424	1.2
287.05505	1.3
389.21832	4.0
434.10144	5.5
449.05847	3.1
449.14990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01379	1.9
59.46935	0.4
70.06405	1.1
70.06754	0.7
71.01382	0.4
78.95900	11.1
87.00875	0.5
93.03455	3.1
96.96954	1.0
106.04244	0.4
107.05016	0.8
111.04517	0.6
117.03445	2.1
117.27274	0.3
132.02164	0.8
133.02954	18.8
134.03769	6.0
135.04523	28.3
136.04828	1.2
137.02429	2.3
139.03973	1.0
150.03149	0.4
150.97937	0.4
152.99579	15.7
153.99893	0.4
161.02435	100.0
162.02777	5.2
171.00647	0.5
173.04533	1.4
178.02707	0.9
179.01147	0.4
179.03502	9.9
181.56680	0.3
182.00392	0.4
191.05618	4.8
203.33601	0.4
231.10242	0.5
269.21265	0.9
287.22235	9.3
288.22577	1.1
302.03384	1.0
303.03885	0.5
319.53320	0.4
390.63705	0.4
431.24271	3.4
449.25433	58.7
450.25784	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96194	0.5
57.03446	0.9
58.00620	0.7
58.21436	0.6
58.39885	0.5
59.01377	100.0
60.01719	1.5
60.37128	0.6
61.98839	2.1
64.87547	0.5
69.17243	5.1
69.17650	1.0
71.01384	9.6
72.99313	1.3
73.02956	0.9
81.03462	0.7
83.01418	0.6
85.02946	4.2
87.00889	1.2
89.02441	12.0
89.02947	1.0
90.98616	0.9
93.03464	4.4
95.01391	0.7
96.95994	7.0
96.96497	0.5
101.02421	6.3
109.02931	3.9
111.04544	1.6
113.02448	4.5
119.03477	5.7
120.99669	2.2
121.02944	2.7
123.00824	0.7
125.02433	4.4
131.03502	0.7
133.02979	2.1
135.04553	2.2
137.02443	1.7
143.03551	0.9
149.02480	1.1
149.04654	0.7
157.02924	0.6
159.04561	1.4
161.02467	2.3
161.04611	2.5
164.01141	0.7
165.01984	2.3
169.01437	1.1
173.04608	1.9
173.06070	1.2
177.01942	1.3
179.05658	2.2
183.04477	1.2
185.02388	1.0
187.07730	1.6
191.05606	20.6
197.06152	1.2
199.04070	1.0
201.05606	1.4
225.05635	2.2
227.03386	0.8
241.05153	1.5
243.06558	0.6
257.04498	2.9
257.08151	0.7
259.06146	2.4
269.04532	31.1
269.13864	0.9
270.04968	1.9
275.09299	3.2
283.06125	0.8
286.04898	1.8
287.05548	4.4
309.11566	0.7
313.05692	0.9
327.07281	0.7
353.08865	0.6
389.21744	3.6
390.22482	0.7
434.10529	1.1
449.10687	3.2
449.19678	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
61.98841	0.7
64.05431	0.6
70.28453	1.3
70.28818	1.4
71.01392	0.6
78.95902	56.1
85.02920	0.7
87.00883	1.2
93.03448	5.1
96.96006	1.4
96.96960	6.3
133.02921	1.1
135.04501	1.1
150.97977	1.5
152.99582	100.0
153.99919	1.4
171.00629	5.2
173.04578	2.2
179.03499	0.7
191.05629	9.0
273.03082	1.2
275.09253	0.9
295.22849	0.9
300.02966	0.9
301.03192	0.7
302.03546	1.7
303.04083	0.9
325.19766	0.7
385.44458	0.6
417.61685	0.6
449.09430	0.8
449.14746	1.7
449.22983	13.6
450.23315	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79153	0.2
57.03445	0.3
59.01378	9.3
60.99313	0.2
64.40083	0.2
64.49511	0.2
67.01903	0.4
69.03460	0.5
69.37154	1.0
69.37581	1.0
71.01379	2.7
73.02937	0.4
81.03445	0.5
82.00682	0.2
83.01325	0.2
83.05028	0.5
84.28716	0.2
85.02946	8.7
87.00870	2.0
89.02427	1.4
93.03452	4.2
95.01377	0.4
98.20689	0.5
99.04524	1.5
101.02430	0.9
109.02943	0.9
111.04543	1.1
113.02434	0.8
117.11800	0.2
119.03510	0.5
124.28133	0.2
127.04044	2.0
130.94041	0.2
143.03600	0.3
154.02611	0.2
155.03508	0.6
165.12892	0.3
171.03014	0.5
172.05307	0.7
173.04514	2.0
173.05925	0.4
177.74457	0.2
183.04477	0.5
187.07634	8.0
188.07959	0.4
191.05602	100.0
192.05934	3.7
195.78387	0.2
199.03973	0.6
200.04803	0.4
201.05713	0.5
202.06375	0.9
207.13916	1.1
209.11830	3.3
213.09201	1.3
215.07097	2.1
216.07202	0.2
223.74461	0.2
225.14963	0.8
227.03510	1.0
228.04286	1.1
229.08609	0.8
231.06688	0.4
231.10205	1.8
232.10532	0.2
251.12898	0.4
257.08179	9.0
258.08481	0.6
269.13925	11.1
270.14230	0.9
275.09225	2.4
276.09549	0.3
449.14417	1.6
449.20297	5.6
450.15085	0.3
450.20731	0.8
467.67950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
67.01882	0.5
69.03451	0.4
69.49900	1.4
71.01363	0.9
73.02950	0.3
76.77889	0.3
78.73497	0.2
79.54565	0.3
81.03447	0.5
83.05037	0.5
83.38542	0.3
85.02947	11.3
86.03247	0.3
87.00880	2.3
89.91623	0.3
93.03467	3.9
99.04514	0.8
101.02440	0.4
107.78053	0.3
109.02940	0.5
111.04497	1.2
113.02474	0.3
127.03997	2.3
137.11758	0.3
171.02974	0.8
172.05304	1.2
173.04588	2.1
173.05945	0.5
175.33484	0.3
183.04497	0.5
187.03969	0.4
187.07646	8.0
191.05609	100.0
192.05969	4.0
199.04008	0.6
200.04790	0.6
211.07835	0.3
213.09230	1.0
215.07178	1.5
227.03491	1.0
228.04167	1.1
229.08679	0.9
231.10309	1.4
233.06795	0.3
242.86618	0.3
257.08185	10.5
258.08578	0.9
269.13953	0.3
275.09250	1.2
379.86642	0.3
424.87369	0.4
440.68750	0.3
449.14389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40322	0.5
53.42251	0.5
57.03425	0.6
59.01371	2.9
59.97509	0.5
67.01884	1.8
69.03449	1.2
69.32927	4.2
71.01382	1.3
73.02964	0.6
73.84601	0.5
81.03426	1.1
83.05000	1.0
85.02454	0.9
85.02949	10.4
85.79924	0.5
87.00877	6.2
88.43835	0.5
89.41356	0.6
91.33562	0.5
93.03460	11.2
107.35014	0.5
109.02949	1.5
111.04506	3.4
114.90900	0.5
125.02425	1.4
127.03998	2.8
149.06107	0.7
155.03490	2.4
158.03719	1.2
159.04478	2.8
161.02435	1.4
172.05331	4.5
173.04536	7.4
173.06064	5.0
174.04860	0.6
174.06683	0.7
175.07599	0.7
182.03757	1.2
183.04535	1.7
184.05118	0.6
187.04033	4.1
187.07628	29.4
188.08017	2.2
191.05600	100.0
192.05954	4.2
197.06151	0.6
198.06802	0.6
200.04724	1.8
201.05550	4.6
201.09225	1.0
202.06332	11.6
203.10777	1.3
204.04381	0.7
213.09200	8.5
214.09700	0.7
215.07106	9.4
216.07791	1.5
227.03539	1.1
229.08675	4.5
230.09216	0.7
231.06740	3.9
231.10240	19.1
232.03828	0.6
232.10590	1.1
257.08160	11.6
258.08484	1.3
275.09238	32.8
276.09589	2.7
449.14578	6.6
450.14767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03514	0.3
59.01381	1.3
67.01875	0.4
70.85859	0.6
71.01377	0.8
72.46237	0.2
73.02969	0.5
80.39797	0.3
83.05043	0.4
85.02948	8.5
87.00871	1.9
93.03451	3.5
99.04511	0.3
109.02952	0.9
111.04506	1.0
123.14402	0.3
126.24129	0.3
127.04021	2.0
138.87364	0.3
171.02974	0.7
172.05290	1.8
173.04573	1.5
174.05061	0.4
183.04451	0.5
187.04138	0.3
187.05936	0.6
187.07639	11.6
188.07967	0.5
191.05602	100.0
192.05977	3.6
199.03986	1.1
200.18224	0.3
200.51277	0.3
202.06189	0.3
213.09196	1.1
215.07071	2.3
227.03465	1.9
228.04242	1.8
229.08539	0.4
231.10127	0.7
257.08173	14.1
258.08502	1.6
275.09244	1.0
449.14532	3.7
450.14682	0.4
452.26938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50270	0.2
59.01365	2.0
60.99306	0.4
66.77897	0.2
67.01882	0.6
69.18106	0.7
69.18515	1.8
70.77259	0.3
71.01379	0.7
73.02945	0.3
81.03449	0.5
83.05019	0.5
85.02946	8.0
87.00862	1.9
93.03460	5.3
99.04526	0.5
109.02940	1.0
111.04531	1.3
127.04021	2.2
135.04514	0.3
137.42078	0.3
153.01883	0.3
155.03386	0.3
159.04514	0.3
170.27319	0.2
171.03026	0.6
172.05334	1.4
173.04530	2.9
183.04488	0.4
187.07640	10.9
188.07996	0.6
191.05600	100.0
192.05948	3.8
199.04051	1.2
200.04768	0.6
213.09183	1.4
215.07066	2.0
227.03459	1.7
228.04231	1.4
229.08730	0.7
231.10246	0.7
248.04942	0.2
257.08179	13.0
258.08459	1.1
272.02679	0.2
273.02756	0.3
275.09195	1.1
301.03320	0.6
302.03406	0.8
303.03979	0.3
375.72217	0.3
449.09738	0.5
449.14853	3.6
450.14914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39163	0.3
57.03428	0.4
59.01383	1.5
59.06863	0.2
60.99292	0.5
63.72496	0.3
63.72872	0.3
64.38663	0.3
67.01889	1.2
68.74396	0.3
69.03459	0.7
70.26012	0.9
71.01373	1.1
73.02936	0.5
81.03462	0.6
83.05009	0.6
85.02946	9.3
87.00879	3.5
93.03455	10.3
94.03807	0.4
97.35669	0.3
99.04526	0.7
109.02950	0.9
111.04516	2.1
116.58315	0.3
127.03998	2.2
132.02168	0.3
133.02951	0.7
134.03741	0.9
137.02473	0.4
146.03729	0.6
155.03470	0.5
160.01675	0.6
162.03290	0.2
171.02983	0.5
172.05283	0.9
173.04535	5.7
174.03203	0.8
174.04825	0.3
178.02669	0.4
186.03119	0.6
191.05600	100.0
192.05934	4.0
199.03995	0.4
200.04749	0.8
201.09161	1.2
203.10652	0.3
211.07600	0.3
213.05588	0.5
229.08688	4.1
230.09207	0.3
231.10225	1.4
257.08170	15.5
258.08551	1.0
275.09146	2.2
307.42206	0.3
449.14587	3.7
450.14368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
60.99299	2.1
67.01881	5.8
71.01392	2.9
71.01736	1.8
73.90005	0.7
80.49014	0.7
81.03458	1.7
83.05016	1.5
85.02959	2.6
87.00881	6.4
93.03462	33.8
94.03747	0.9
108.02183	3.8
109.02997	1.1
111.00890	0.9
111.04516	5.0
121.02974	3.0
122.03772	2.1
124.01670	5.9
125.02489	3.8
126.03220	2.3
133.02937	4.1
134.03758	13.9
135.04527	100.0
136.04961	4.9
137.02448	2.3
139.03981	1.1
150.03218	5.2
151.04007	13.1
160.01656	2.2
161.02400	1.7
170.08812	0.8
173.04572	10.4
175.60474	0.8
177.01913	1.0
178.02679	2.2
179.03493	24.9
180.04173	3.7
191.05586	20.7
194.02141	1.0
240.29895	0.9
257.08176	2.7
275.09164	2.0
290.07913	3.0
307.08170	6.3
308.08975	20.0
309.09308	1.7
323.07886	0.8
351.07126	1.5
352.07965	15.6
353.08380	1.7
380.89850	0.7
436.69189	0.9
449.08496	0.8
449.14554	13.8
450.14810	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.39613	1.3
55.01883	6.7
57.03439	4.0
58.00591	1.2
59.01378	44.7
69.03455	3.0
69.33175	8.0
69.33496	1.9
71.01379	100.0
72.01690	1.2
72.99290	2.2
73.02942	41.8
75.00866	3.6
81.03478	1.1
83.01393	11.2
85.02950	39.9
86.03292	1.7
87.00869	4.0
89.02441	34.0
90.02811	0.7
95.01384	7.1
97.02948	4.4
99.00880	19.3
101.02441	62.2
111.00853	1.0
113.02449	36.5
115.04025	1.8
119.03496	2.7
125.02454	6.6
129.01981	1.3
131.03493	5.7
143.03481	5.0
149.04517	5.8
151.00310	1.2
151.90027	0.9
159.02972	9.9
161.04549	62.1
179.05736	0.9
191.05554	3.2
192.80272	1.0
205.03604	1.2
233.06665	5.0
255.03047	2.4
271.02475	3.6
293.08707	1.3
294.52490	0.9
300.02725	7.7
301.03458	6.9
315.18094	45.4
316.18295	4.5
447.09534	5.3
447.22308	99.0
448.22763	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13271	1.0
55.01868	7.0
57.03448	5.3
58.00579	2.6
59.01380	41.5
61.68885	0.9
64.79317	0.9
69.03463	1.7
70.86341	1.8
70.86686	2.1
71.01380	100.0
72.01692	1.5
72.99300	2.5
73.02944	39.0
75.00876	3.1
83.01382	14.4
85.02949	43.1
85.03471	2.3
85.39744	1.1
87.00866	5.3
89.02442	32.3
95.01377	5.8
97.02951	4.2
99.00269	2.0
99.00873	21.4
100.07782	1.0
101.02442	56.0
102.02789	1.3
113.02450	32.4
115.03990	2.3
119.03489	3.0
125.02451	6.7
129.01933	2.0
131.03485	6.2
143.03491	5.4
149.04523	4.8
151.00365	1.3
157.02710	0.9
159.03030	7.4
161.04556	60.6
162.04845	1.8
191.05591	3.6
201.60643	1.0
233.06680	4.8
243.02985	1.7
255.02933	2.1
271.02435	3.5
275.61707	1.1
293.08820	1.1
300.02701	6.8
301.03342	6.1
315.18109	37.8
316.18484	4.0
434.56287	1.1
447.09222	4.3
447.22278	89.1
448.22614	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	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17922	0.5
58.54246	0.5
59.01378	100.0
60.01706	0.6
69.84534	2.4
71.01381	4.9
73.02934	0.6
81.54971	0.4
85.02965	1.7
89.02440	6.1
95.23787	0.5
98.20591	0.5
98.92329	0.5
101.02424	2.8
113.02468	2.5
119.03490	3.2
123.16177	0.5
133.79951	0.5
161.04527	2.9
179.05649	1.2
189.12885	1.6
191.05554	0.7
207.13924	0.5
231.49626	0.6
262.61737	0.6
329.44232	0.7
387.20303	3.9
445.94211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76244	0.7
54.80618	0.9
55.07663	0.7
55.32041	0.8
57.03446	1.2
58.00581	1.0
59.01377	100.0
62.96342	0.8
69.03442	3.5
69.45122	6.1
71.01373	17.8
71.05019	0.9
72.99297	0.9
73.02935	3.1
74.10927	0.9
75.26347	0.7
79.01884	1.8
85.02947	6.0
87.00871	1.1
89.02438	13.3
93.03497	0.8
95.01379	1.6
97.02932	1.7
99.00893	1.3
101.02433	12.0
101.10789	0.9
101.60516	0.9
105.58333	0.9
111.04523	7.4
113.02431	6.6
119.03484	5.2
123.00894	4.5
125.02440	1.4
138.06877	4.5
143.03452	2.1
149.02237	0.8
153.09203	11.5
154.09514	1.1
155.02277	1.3
155.03499	22.3
156.03844	1.2
159.02997	1.0
161.02391	2.4
161.04543	13.3
179.05600	3.0
191.05566	6.1
207.13646	0.9
225.07727	5.0
225.14952	28.9
226.15202	2.3
255.06595	1.8
271.02481	3.4
300.02609	4.0
301.03445	1.2
372.70612	0.9
387.12762	3.8
387.20251	16.2
388.20639	2.2
431.18854	1.1
447.09106	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.2
61.98830	0.8
69.03468	0.5
69.30002	3.6
71.01377	7.3
72.99313	0.5
73.02957	1.4
85.02923	2.5
87.00888	0.7
89.02433	8.0
89.02937	0.6
93.03443	0.9
96.96017	1.6
98.20592	0.9
99.00896	0.5
101.02447	4.8
109.02924	0.5
109.41411	0.4
111.04521	0.7
113.02456	2.9
119.03496	2.9
131.03508	0.6
137.02539	0.4
143.03587	0.8
143.78642	0.5
151.00446	0.9
155.03474	0.6
159.02980	0.5
161.04564	3.3
169.01389	1.1
179.05624	1.2
181.05132	1.4
189.12782	0.6
191.05606	9.9
192.06087	0.5
196.07426	1.2
211.07977	0.5
211.09770	2.0
225.15097	0.5
229.08685	0.6
255.02960	1.7
255.06607	1.0
271.02533	2.0
273.07623	0.6
292.30566	0.5
300.02698	3.5
301.03433	2.8
387.20248	3.0
447.09464	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	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
62.96409	1.5
70.54205	0.3
70.54559	0.9
78.95902	43.6
88.48904	0.3
93.46185	0.3
96.96960	3.3
98.20567	0.3
107.01392	0.4
109.02968	0.4
112.20934	0.3
127.46017	0.3
131.54991	0.3
147.65161	0.3
149.00085	20.4
150.00406	0.5
151.00323	1.7
152.99599	2.4
155.03586	0.3
158.92502	2.0
163.00371	0.5
174.26111	0.3
178.99831	0.6
179.01167	2.9
205.15994	1.8
211.13405	0.7
243.03032	0.7
245.04491	0.3
255.02986	3.6
267.11517	0.3
271.02444	6.6
272.03003	0.3
273.03989	0.4
300.02722	9.3
301.03476	8.3
302.03946	0.6
347.08307	0.9
417.12680	0.8
431.10175	2.5
447.13498	100.0
448.13867	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	447.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.0
61.98830	0.9
62.96415	0.9
63.02386	0.6
63.49124	0.4
65.00323	0.7
65.63425	0.3
66.18381	0.3
71.01368	0.7
71.53864	0.5
74.13628	0.3
78.95901	68.7
82.90965	0.3
82.97387	0.3
89.02452	1.0
91.01877	0.4
93.03453	0.4
96.96956	6.4
101.02428	0.4
107.01389	1.0
108.02173	0.5
109.02947	1.1
113.02449	0.6
116.92827	0.3
119.03510	0.4
121.02969	1.4
135.00871	0.5
148.01669	0.7
149.00092	5.0
150.62201	0.4
150.97997	1.7
151.00362	5.5
152.99576	100.0
153.99887	1.6
155.03467	1.0
159.04506	0.4
163.00339	1.6
169.01439	0.3
171.00629	4.7
178.99821	2.9
179.01187	0.7
183.97006	0.4
187.03798	0.3
191.05527	0.5
199.03888	0.4
205.16090	0.4
211.04134	0.8
211.13403	3.0
218.13501	0.3
227.03439	1.4
243.02919	3.9
245.04521	0.9
254.02141	0.4
255.02965	9.5
256.03421	0.8
271.02457	18.3
272.02783	1.9
273.04065	0.7
283.02432	1.0
284.03387	0.4
293.21100	0.6
299.01913	0.5
300.02713	30.2
301.03455	26.3
302.03818	1.9
348.00806	0.4
351.07336	0.4
417.12305	0.4
431.09827	0.7
447.09006	15.0
447.13541	23.7
447.21536	10.5
447.31036	0.7
448.09311	2.1
448.13870	2.8
448.21210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1289
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
57.03429	0.4
59.01373	4.5
60.99288	0.5
67.01875	1.4
69.03449	0.8
69.40694	2.3
71.01391	1.9
73.02939	0.5
79.91128	0.4
81.03457	0.7
83.05052	0.7
85.02950	12.6
86.04088	0.3
87.00866	4.4
89.02450	0.5
93.03461	12.1
95.01350	0.3
96.96020	0.3
99.04529	0.6
101.02426	0.5
109.02923	1.1
111.04515	2.4
113.02409	0.3
116.56381	0.4
125.02462	0.6
127.04022	2.8
129.01855	0.4
129.07222	0.3
155.03477	0.8
168.00598	0.4
171.02956	1.2
172.05287	4.1
172.62366	0.3
173.04539	3.4
173.06044	2.0
187.04106	0.4
191.05606	100.0
192.05948	3.8
204.04184	0.8
211.07719	1.2
216.04295	0.9
229.08678	12.5
230.09053	0.9
248.03207	0.4
255.06541	0.6
271.02441	0.7
273.07672	49.1
274.07947	4.2
300.02814	1.3
301.03638	0.7
356.99005	0.5
447.13071	27.4
448.13361	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
59.01376	10.0
60.38396	0.5
70.42590	1.8
71.01380	6.7
73.02952	1.8
83.01392	0.6
85.02938	5.0
87.00880	1.1
87.46246	0.6
89.02441	2.5
93.03458	1.8
95.01404	1.2
96.96027	0.6
99.00858	3.0
101.01903	0.6
101.02451	4.0
108.02174	53.5
109.02982	13.6
110.03268	0.6
111.04533	0.7
113.02411	2.6
118.98058	2.6
121.02917	0.6
123.00873	1.4
123.04511	0.7
125.02456	1.8
127.04027	0.9
134.54645	0.6
135.04581	0.8
139.23903	0.5
143.03555	0.7
151.04030	2.0
152.01155	92.6
153.01653	5.0
155.03511	0.5
159.02950	0.7
161.04581	2.2
163.04057	2.9
169.01485	0.6
179.03424	0.7
187.97948	0.6
191.05603	9.4
207.02899	0.7
228.47597	0.5
229.08614	0.9
255.02846	0.8
257.81073	0.7
271.08264	0.9
273.07724	4.5
284.03210	1.6
285.03812	0.9
300.02762	1.3
301.03571	0.7
315.07220	0.8
370.91293	0.6
387.19901	0.7
447.11420	100.0
448.11761	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	446.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64953	1.2
56.52681	1.1
57.03426	1.8
59.01376	34.3
61.98829	100.0
65.00337	1.6
69.30465	6.3
69.30898	4.7
71.01387	7.9
73.02959	3.4
85.02954	6.8
86.14766	1.3
89.02464	3.2
93.03472	2.4
101.02441	4.8
107.01384	2.4
110.76702	1.5
113.02439	3.7
127.04013	2.2
133.02953	15.1
135.04536	5.9
137.02444	2.1
151.00317	7.1
155.03496	3.0
161.02435	57.7
161.04501	2.8
162.02744	3.3
163.00266	1.6
169.06503	1.8
169.27206	1.5
174.96605	1.4
178.99875	3.9
179.03502	2.2
191.05602	45.3
199.07739	1.8
209.11766	1.8
210.12221	1.7
211.03967	3.2
213.05681	1.8
227.03499	31.7
229.08707	1.6
243.02980	3.1
255.02977	49.6
255.06595	7.8
256.03827	2.2
271.02475	22.3
281.06729	1.8
284.03250	43.1
285.04007	11.4
300.02719	37.0
301.03552	25.5
342.03369	3.3
383.13434	54.8
384.13754	6.3
384.45309	1.4
386.18741	2.0
387.20233	1.8
447.09180	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	1.2
65.00317	1.1
68.80374	0.4
69.30535	0.7
69.33557	0.4
69.45695	1.0
69.46140	3.1
83.01380	1.0
90.66082	0.4
107.01397	5.0
108.02176	1.6
109.02966	3.4
119.01370	0.6
121.02946	4.0
124.01620	0.5
135.00854	1.6
148.01669	1.5
149.02463	0.7
151.00356	15.4
152.00778	0.8
158.03802	0.5
163.00337	4.2
164.01120	1.2
176.49039	0.5
178.99860	8.0
183.04491	1.1
190.99889	0.6
199.03967	1.2
203.03514	0.7
211.03995	2.1
215.03468	1.0
226.02751	1.1
227.03494	3.7
229.05049	1.2
243.02939	10.6
244.03377	1.0
245.04539	2.6
254.02225	1.9
255.02956	25.2
256.03421	2.1
257.05103	0.6
257.66199	0.6
268.13690	0.6
271.02460	49.0
272.02802	4.9
273.03995	1.7
283.02435	2.0
298.33588	0.5
299.02097	1.1
300.02722	100.0
301.03485	92.3
302.03830	5.4
343.05176	0.5
447.09280	84.3
448.09665	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62060	0.5
57.01728	0.5
58.00589	1.3
59.01379	100.0
60.01715	0.9
63.19629	0.6
69.77342	3.0
71.01378	18.8
72.99316	0.8
83.01392	0.7
83.05001	2.6
85.02961	2.2
87.00908	0.7
89.02440	28.5
93.03458	0.7
95.01410	1.0
98.20565	0.7
99.97751	0.5
101.02439	8.3
113.02450	8.3
119.03505	11.1
125.02472	1.0
131.03485	0.9
133.65424	0.6
139.03984	1.0
143.03519	2.5
149.04604	1.1
161.04543	3.0
168.00607	0.7
179.05592	17.2
191.05617	4.7
192.06044	0.5
196.25650	0.5
205.12355	0.6
242.50531	0.6
261.29617	0.5
271.06119	0.8
339.36411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
58.00602	0.8
59.01377	100.0
60.01718	1.5
67.04285	0.5
69.03463	0.6
69.45635	3.3
71.01379	11.7
72.99330	0.5
73.02944	1.0
83.01383	0.9
85.02963	2.1
87.00872	1.3
89.02438	14.5
93.03479	0.5
93.66908	0.4
95.01420	0.6
98.19856	0.7
101.02437	6.8
102.98611	1.3
107.05054	0.6
113.02448	4.4
119.03504	6.6
125.02502	1.4
131.03491	0.6
135.04500	0.6
143.03491	1.2
143.61079	0.5
146.29524	0.5
149.04619	0.7
149.06079	0.4
161.02374	0.5
161.04597	1.6
163.11308	0.7
169.01460	1.5
171.87996	0.4
179.03517	0.5
179.05620	1.5
180.21442	0.4
191.05637	2.3
205.12320	5.8
206.12642	1.0
283.04889	0.8
314.36807	0.5
367.64761	0.4
401.04285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03429	1.5
59.01376	17.6
61.98821	1.2
69.03450	1.4
70.99597	2.7
71.01379	8.1
71.05017	0.9
71.53019	1.2
73.02940	2.3
76.95589	0.7
78.05551	0.7
81.03454	1.8
83.01389	0.8
85.02950	7.3
88.98798	2.5
89.02441	4.7
89.17397	0.6
93.03448	1.9
95.01392	2.7
97.02938	2.5
99.00858	1.3
100.83729	0.7
101.02431	4.5
108.02168	72.3
109.02953	47.6
110.03261	1.5
113.02457	4.1
119.03499	1.2
120.99625	1.5
121.02959	1.5
123.00862	2.3
123.04516	8.1
124.01656	1.9
125.02437	6.4
126.02766	0.8
133.02956	1.3
135.04514	1.6
139.04045	3.9
146.03691	3.5
147.06633	21.4
148.06906	0.8
149.99577	1.7
151.04021	2.2
152.01140	70.8
153.01929	29.7
153.09044	0.9
154.02242	0.8
161.02422	2.0
161.04517	1.9
161.06067	4.3
163.04042	1.8
165.01941	2.0
168.00620	4.0
169.01430	1.1
173.04491	0.9
179.03455	2.0
179.05603	1.2
191.05602	8.0
192.05972	0.9
193.03203	1.0
195.04793	13.1
231.54828	0.8
251.55411	0.8
265.10709	4.1
283.06396	1.4
297.06021	5.8
315.07321	1.5
331.06821	2.4
357.10217	1.3
385.18427	0.8
445.13492	100.0
446.13919	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39417	0.8
59.01382	18.1
69.03448	3.3
70.99617	3.1
71.01379	11.0
73.02950	2.0
73.86951	0.9
79.01895	1.0
81.03446	2.4
83.01382	1.3
83.40268	0.8
85.02944	7.1
87.00880	1.4
88.98790	1.8
89.02449	4.4
93.03444	2.1
95.01414	2.2
97.02946	2.5
98.19953	2.7
101.02447	4.4
108.02173	76.0
109.02961	48.3
110.03290	1.4
113.02436	3.9
119.03505	1.9
120.99652	2.1
121.02928	1.2
123.00882	1.6
123.04510	9.5
124.01672	1.7
125.02435	6.0
135.04503	3.1
139.04012	4.2
146.03761	3.7
147.06641	22.9
149.99567	1.9
151.04004	1.5
152.01147	75.9
153.01939	30.0
161.02426	2.2
161.04718	1.7
161.06073	5.5
163.04015	1.1
165.01979	1.8
168.00633	3.1
173.04546	1.6
179.03520	3.1
179.05611	2.0
191.05580	8.0
192.05977	1.5
193.03044	1.0
195.04828	12.5
196.05222	1.4
209.99957	1.5
222.45009	1.0
226.79449	1.1
265.10843	4.2
283.06323	1.7
297.06076	6.8
315.07114	2.8
331.06668	3.9
385.18674	1.0
445.13535	100.0
446.13974	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	445.1347
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
53.33947	0.6
55.01874	0.9
58.00591	1.4
59.01379	24.7
69.03452	6.6
69.16040	2.3
69.16463	5.5
71.01374	11.5
72.99303	22.2
75.10284	0.7
80.25066	0.8
85.02959	3.5
89.02443	9.4
93.03421	0.9
95.01357	0.9
95.05028	12.8
99.00845	0.7
101.02435	4.3
107.05021	11.4
108.02183	0.8
111.36068	0.7
113.02428	4.8
119.03489	3.2
119.05019	1.1
121.06593	2.2
123.04507	3.8
125.02479	1.0
133.06573	2.2
139.04008	18.9
140.04422	0.9
142.87482	0.7
147.08144	1.4
151.03990	12.4
155.52998	0.9
157.06580	2.2
159.08142	2.7
169.01399	0.9
169.05011	4.7
175.07620	1.8
177.09250	1.3
195.02995	3.0
203.07135	2.1
211.09801	0.8
213.04027	5.1
221.08157	11.7
222.08400	0.9
239.09254	4.4
265.07181	2.2
401.14542	2.8
445.13470	100.0
446.13824	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	445.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53675	0.6
56.08134	0.6
59.01380	23.9
61.40956	0.6
69.03453	7.2
70.43369	0.6
70.95234	0.7
70.95572	1.2
71.01375	12.6
72.99304	27.4
73.02962	0.7
83.01360	0.8
85.02947	3.7
87.00869	1.0
89.02443	10.9
93.03466	2.3
95.01407	1.2
95.05024	12.3
97.02947	1.3
101.02424	6.0
107.05019	11.0
108.02159	0.8
108.74009	0.7
109.02935	0.8
109.06609	1.0
113.02458	4.4
119.03484	2.3
119.05005	2.8
121.06596	4.3
123.04520	7.1
125.06078	0.8
129.07062	0.6
131.05058	0.7
133.06593	3.5
135.04549	0.8
137.06093	1.5
139.04004	18.7
141.07149	0.8
143.05008	1.2
147.08159	4.0
149.02420	1.1
149.09683	1.7
151.04012	14.4
151.07553	0.9
152.01152	1.0
152.04288	1.0
157.06573	2.8
159.08102	3.8
164.75031	0.7
165.09091	0.8
168.00604	0.7
169.01410	0.7
169.05058	5.9
173.04639	0.9
175.07642	2.9
177.05669	0.8
177.09207	1.5
191.05620	6.3
191.07164	1.1
192.06026	0.9
193.08620	1.2
195.02980	3.2
195.04677	1.2
195.60654	0.6
203.07114	2.5
211.09718	2.6
213.04002	11.2
221.08179	21.4
222.08519	0.8
235.04236	0.7
239.09216	11.0
265.07202	5.7
268.20520	0.7
271.06107	1.6
306.98520	0.8
316.35565	0.7
338.78394	0.8
401.14548	4.4
445.13461	100.0
446.13812	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	445.1138
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
52.75895	0.3
56.00002	0.4
59.01371	2.5
61.98823	0.5
69.03479	0.4
69.50388	0.7
69.50795	1.6
71.01380	0.9
79.01920	0.5
81.03460	1.1
83.86200	0.4
84.89726	0.3
85.02944	1.4
87.56454	0.3
89.02453	0.8
93.03462	0.7
95.01385	0.9
97.02986	0.6
101.02479	0.8
107.01402	1.1
108.02171	100.0
109.02971	27.6
110.03309	0.9
121.02956	1.3
123.00910	0.8
123.04547	0.8
125.02421	1.8
133.02956	3.7
135.00842	1.8
135.04533	1.2
141.84950	0.4
147.04556	2.5
151.00374	0.4
151.03970	1.5
151.06390	0.3
152.01144	67.9
153.01930	24.5
154.02280	0.9
161.02432	8.8
163.03999	1.5
164.01204	0.4
164.71738	0.4
165.01886	1.1
167.08646	0.8
169.00111	0.4
169.01433	1.8
169.06560	0.4
179.03468	0.6
183.08173	1.9
184.33269	0.3
195.08156	0.7
197.06062	1.1
207.56778	0.4
208.31787	0.4
210.06812	1.0
211.07623	3.0
221.06038	0.6
225.09386	0.4
238.06419	0.7
239.07115	8.2
240.07448	0.5
241.01427	0.9
253.08844	0.6
270.01630	0.8
271.02405	1.3
281.08163	0.7
298.00958	0.4
299.01920	1.0
341.21057	0.4
445.11276	80.4
445.64023	0.4
446.11606	9.5
467.45151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86712	0.3
52.10093	0.4
55.39188	0.4
55.73515	0.3
59.01375	2.6
62.78418	0.4
64.65702	0.3
65.00339	0.4
67.18465	0.4
70.42112	1.1
71.01364	0.8
71.32014	0.4
73.49226	0.4
85.16410	0.4
89.02446	0.5
101.02424	0.6
113.02458	0.5
118.98039	0.4
120.99648	11.0
121.02948	0.7
122.25834	0.4
136.33987	0.4
151.00519	0.4
160.01709	0.5
161.04631	0.5
167.08749	0.4
169.10217	0.5
178.67993	0.4
185.09679	0.7
188.01208	0.4
195.04541	0.6
195.07994	0.4
196.05217	1.4
197.09692	0.9
198.03258	0.6
209.11784	4.9
210.12108	0.5
212.04784	0.4
213.09219	1.0
214.02722	0.9
216.00630	0.4
224.04700	0.7
225.09114	2.2
226.02617	0.8
227.03369	0.7
239.03349	0.6
240.04256	19.7
241.01456	2.2
241.04625	2.0
241.08630	0.6
242.02158	1.5
243.02910	0.5
245.00868	1.7
253.08841	1.8
259.99567	3.1
268.03754	1.1
269.00888	8.3
269.08170	43.8
270.01617	3.9
270.08505	4.2
271.02362	1.8
272.03226	1.5
281.00824	1.0
283.99594	1.6
284.02670	0.5
285.00568	0.5
285.07516	0.6
289.37805	0.4
297.00439	1.6
297.07648	10.5
298.01196	5.8
298.08087	1.2
299.01898	3.2
300.02472	0.5
305.17581	2.8
311.05496	3.0
312.06152	0.7
313.07132	5.0
323.18506	1.3
327.21750	0.7
341.06635	6.5
342.07043	0.6
428.58710	0.4
445.07727	100.0
446.08075	12.8
446.14264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0777
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
59.01374	1.4
60.97786	0.5
63.02411	2.6
65.00323	4.4
68.36702	0.5
71.01369	0.7
77.14812	0.5
83.01387	3.7
85.02924	1.0
93.03444	1.5
95.37634	0.5
101.02437	0.8
107.01385	9.4
117.03449	1.1
121.02944	0.9
125.02428	6.6
133.02959	1.3
135.04512	0.9
137.02449	5.6
145.02953	3.3
146.03447	0.5
147.04536	1.5
149.02383	1.0
151.00369	33.9
152.00978	1.2
161.02457	8.0
162.03073	1.1
163.04008	6.5
169.01381	1.5
173.02385	1.4
174.03136	0.8
175.04008	3.2
177.01944	1.0
178.99861	15.8
183.04411	1.0
185.02423	0.8
187.00365	1.3
187.03970	0.6
189.01929	4.2
191.03503	3.5
192.00577	1.1
193.01440	1.1
195.04578	0.6
199.03972	1.1
201.01912	1.0
203.03479	2.6
211.03944	1.6
217.01431	0.7
217.05020	0.7
221.04616	1.2
223.03946	1.1
227.03564	3.1
229.01416	0.6
229.04973	0.8
231.03043	1.6
239.03493	1.1
240.04266	0.7
241.01440	1.5
241.05098	1.3
242.02113	0.9
243.03021	1.4
247.02501	0.9
251.03531	1.9
255.03027	1.5
256.03751	1.2
257.04529	0.7
267.03003	1.6
269.04495	3.0
270.01596	0.8
271.02405	1.3
279.02985	1.7
280.03497	0.8
283.02487	1.4
284.03174	0.8
285.03943	2.1
295.02521	8.9
296.03058	2.0
297.04080	8.9
298.01144	1.0
298.04520	0.8
299.01883	1.5
300.02771	1.6
301.03461	2.3
308.80658	0.6
309.03949	0.9
311.01892	2.0
312.02640	0.6
313.03525	7.6
323.01932	10.1
324.02600	1.6
327.01462	8.3
327.05054	1.3
341.03043	26.7
342.03281	2.7
343.04489	0.7
353.03137	1.0
355.04617	1.9
357.09760	1.5
371.03989	0.9
373.05627	1.9
383.04156	1.1
445.07742	100.0
446.08035	11.0
465.31226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.8
59.01375	49.1
61.85260	1.2
61.98819	5.0
69.03078	2.2
69.03456	40.7
69.16415	12.2
71.01382	27.1
72.99299	1.7
73.02913	1.3
83.01411	1.7
85.02945	7.4
87.00870	8.9
88.98813	3.4
89.02438	21.8
92.63614	1.3
93.02931	1.2
93.03437	6.4
95.01380	2.5
95.05025	30.3
98.19920	2.5
101.02438	12.5
113.02438	11.9
119.03498	7.6
119.04975	2.4
121.02925	7.8
121.06575	8.8
123.04533	4.2
125.02403	1.4
129.07129	2.2
135.04541	6.2
139.03043	2.1
139.04016	23.2
145.06612	2.3
147.08159	8.8
149.02429	2.3
149.23595	1.4
159.04472	1.3
161.02386	3.5
165.01915	2.3
165.09186	3.4
165.73749	1.2
167.03418	1.8
169.01407	1.3
173.04623	1.7
173.06033	1.5
175.07747	2.8
179.03479	2.3
182.04547	1.2
191.05577	11.6
191.07156	4.1
192.05878	1.6
193.01378	4.2
211.02477	2.8
212.53198	1.1
219.06558	5.7
219.48846	1.2
261.21210	1.4
280.13284	1.3
281.08737	2.0
331.67627	1.3
399.12909	3.9
443.11896	100.0
444.12253	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	443.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93512	2.5
58.36313	3.0
59.01377	69.3
69.03458	59.1
71.01387	35.1
72.99303	3.4
85.02950	12.4
87.00865	10.9
88.98800	4.6
89.02439	33.0
93.03435	5.5
95.05029	41.3
101.02435	15.5
113.02467	16.6
119.03514	12.9
121.02946	11.7
121.06581	8.6
123.04563	3.0
129.07118	3.2
132.59340	2.8
139.04010	32.5
145.06590	3.5
147.08167	12.7
165.09171	2.7
167.03560	5.4
175.07632	4.4
179.05540	4.8
191.05704	6.0
191.07170	9.9
193.01462	8.2
211.02441	6.2
219.06627	6.4
238.41428	3.0
263.05539	5.0
376.35135	2.9
443.11945	100.0
444.12228	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02886	1.3
57.03438	1.8
58.00586	5.4
58.68626	1.6
59.01377	100.0
61.98812	6.5
71.01379	63.4
71.01783	2.6
71.53813	1.9
72.01722	2.6
72.99294	4.9
73.02932	5.8
79.05543	2.9
81.03442	2.8
83.01383	4.0
85.02939	11.8
87.00864	2.9
88.98817	5.0
89.02441	73.2
91.10515	1.2
93.03452	3.3
93.07111	1.8
95.01373	4.0
95.05028	4.4
97.02947	1.3
97.37782	1.3
99.04499	12.5
101.02432	37.0
101.61120	1.6
106.04252	2.3
107.05027	11.2
108.02166	2.4
113.01720	2.6
113.02454	30.1
113.03252	1.8
113.06048	2.3
119.03494	32.1
123.04511	1.9
125.02480	2.4
131.03506	4.1
131.05025	3.3
132.05789	2.6
135.04449	1.6
139.07651	4.3
143.03485	4.0
147.04442	2.4
149.04601	1.7
149.05949	2.1
151.04002	13.6
159.11790	2.6
160.55060	1.5
161.04521	4.1
161.09650	1.9
172.09030	2.3
179.05632	7.8
187.09604	2.2
187.11272	43.6
188.11607	4.5
191.05573	9.3
195.08116	1.5
208.08908	12.2
209.09682	14.5
210.09976	2.3
219.13911	13.3
231.10265	3.5
237.09190	48.9
238.09563	4.8
255.10237	10.2
263.12845	49.5
264.12955	2.7
323.58981	1.5
340.61938	1.5
399.92618	1.6
443.23090	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.9
61.98835	1.0
63.37143	0.8
63.83370	0.8
68.99561	2.2
71.01378	1.1
72.28452	0.9
82.82248	0.9
85.02979	0.9
89.02444	1.7
91.01895	4.8
93.03466	2.1
98.19849	1.8
101.02463	1.5
106.55119	0.9
109.02958	1.6
109.11952	0.9
112.98534	1.9
119.01376	3.5
121.02923	1.1
137.02431	10.3
147.00879	14.7
158.03633	1.0
161.02434	1.5
163.00392	8.0
164.00900	1.1
165.01947	9.7
169.01300	1.6
174.03271	1.4
175.00404	8.1
176.01131	1.8
190.02679	1.1
198.03040	1.1
201.01877	1.4
202.02631	4.2
202.99844	33.3
204.00240	3.2
206.99313	3.4
208.00098	1.8
209.00880	21.0
209.11789	1.2
210.01175	1.7
226.05209	1.0
229.01213	1.4
230.02173	5.2
240.04253	1.3
241.01379	5.4
241.04974	1.5
242.02040	1.8
245.00882	3.4
246.98807	100.0
247.99150	6.3
259.99518	1.9
269.07858	1.8
270.01620	3.3
271.02496	5.1
273.00378	1.7
274.01215	5.6
297.07648	2.8
298.01117	2.8
298.08200	1.5
299.01907	6.1
325.07080	1.6
341.06754	1.2
357.09698	1.7
373.09161	1.2
401.08737	7.6
445.07547	12.4
445.24301	2.8
446.07950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
50.49866	0.8
52.13587	0.8
54.21091	0.8
55.01886	2.1
57.03434	1.4
58.00581	2.9
59.01379	100.0
60.01706	1.2
60.89938	0.9
65.80751	0.9
65.84587	0.8
67.01880	1.5
67.25709	0.8
69.30293	2.5
69.30706	5.7
71.01380	57.7
72.01720	1.2
72.99311	2.5
73.02936	4.7
83.01358	4.1
85.02950	11.0
87.00878	2.3
89.02442	60.8
90.02795	1.0
92.89593	0.9
93.03481	1.9
95.01390	3.9
97.02975	1.6
99.00877	2.0
99.04572	1.3
101.02444	40.2
105.83797	0.8
107.04996	1.5
109.02957	9.8
109.06587	1.1
113.02451	23.9
119.03500	24.9
121.06618	1.1
122.03722	1.7
124.05297	2.2
131.03517	2.6
133.02937	1.5
133.06606	13.4
134.06905	1.3
135.04523	2.2
136.05280	1.5
137.06058	1.5
139.07649	16.4
140.07967	1.0
143.03517	3.0
149.04587	1.2
149.06068	3.7
161.02440	8.7
161.04527	9.7
164.05035	0.9
169.08678	2.3
179.03474	1.7
179.05600	3.5
187.11362	1.4
191.05603	1.9
202.09756	1.7
205.12454	4.1
217.12357	5.1
225.51158	1.0
235.13435	2.9
261.07712	2.7
261.11273	1.1
281.06522	1.6
330.13202	24.2
331.13870	12.5
397.18686	5.2
441.17694	71.6
442.17963	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	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81921	0.3
55.01884	0.4
57.03451	0.4
58.00689	0.3
59.01377	3.2
61.98831	0.5
64.01653	0.3
64.37742	0.3
69.03434	0.4
70.85125	0.4
70.85458	0.6
71.01373	2.5
72.97527	0.3
73.02946	1.5
75.31912	0.3
78.95893	0.6
83.01385	0.6
85.02956	2.0
87.00878	0.4
89.02448	0.4
93.03454	1.0
96.95996	0.3
97.06559	0.3
101.02441	2.2
105.03473	0.5
113.02473	0.8
115.00387	0.4
117.03471	0.9
121.02982	0.3
123.04487	0.3
125.02472	0.6
132.02182	1.3
133.02953	33.5
134.03333	1.2
135.04524	6.7
137.02435	1.1
139.04030	0.4
140.01176	0.3
147.04509	0.4
157.75266	0.3
161.02437	100.0
162.02769	4.3
163.03984	0.8
169.01442	0.7
173.04567	0.5
178.06354	0.4
179.03508	2.9
191.03726	0.5
191.05597	2.3
193.08791	0.4
299.01746	0.4
441.17609	62.8
442.17935	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	443.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58289	0.8
53.70344	0.7
59.01374	4.4
60.99301	14.7
69.03448	4.1
69.41565	6.5
71.01373	5.1
75.00868	0.8
78.95903	5.5
79.57063	0.7
81.24387	0.7
85.02939	4.6
87.00871	3.1
88.98803	100.0
89.02441	3.2
89.99143	1.0
93.03452	4.4
95.05026	2.5
96.96015	3.5
96.96971	5.9
98.95568	1.8
98.97374	1.3
99.00817	0.7
101.02443	2.4
109.02942	1.5
111.04517	1.4
113.02414	1.1
115.38209	0.8
119.03489	1.1
121.06673	0.9
127.03950	1.1
129.66908	0.7
129.68558	0.9
130.58237	0.7
135.04515	5.8
139.04008	2.6
147.08162	1.0
161.02431	1.7
165.05547	0.7
173.04538	2.2
179.03493	1.9
191.05606	82.1
192.05911	3.3
198.86967	0.8
345.08255	1.0
353.08813	6.1
354.09116	0.8
389.14288	0.8
434.10367	0.9
443.06845	1.0
443.11887	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
56.14828	0.5
58.00589	0.6
59.01377	13.1
71.01374	8.3
72.99299	0.4
73.02943	0.8
75.20901	0.4
80.76714	0.5
85.02953	2.2
87.00919	0.5
89.02436	7.3
93.03488	0.6
95.01348	0.5
98.19855	1.0
99.04553	0.8
101.02434	4.9
105.03503	0.5
109.02955	0.7
113.02438	3.2
117.05597	1.2
119.03488	2.8
119.04969	0.5
123.04485	0.6
125.02441	0.5
131.03551	0.5
132.02180	1.4
133.02948	25.2
133.06654	0.9
134.03610	0.7
135.04510	11.6
139.03973	0.5
147.04520	6.8
149.06088	1.5
161.02432	100.0
162.02779	5.3
177.05539	2.8
179.03488	9.5
179.05254	0.8
191.05623	1.0
195.22557	0.5
200.18181	0.5
205.36743	0.4
221.04544	5.2
250.88182	0.5
251.03647	0.4
251.05614	4.7
275.80591	0.4
279.10812	4.7
281.06650	9.1
295.10333	0.7
330.12991	0.8
331.13742	0.8
341.08823	3.3
423.12534	0.6
441.13739	29.1
442.14044	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	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
57.78308	0.5
58.00584	0.6
59.01377	8.8
60.22051	0.7
61.98805	0.9
71.01375	6.8
71.52426	0.7
71.52793	0.6
73.02924	1.2
81.95284	0.5
85.02956	2.2
87.00882	0.7
89.02434	4.1
93.03439	2.0
95.01380	0.9
101.02465	2.9
105.03519	0.6
108.02167	3.5
109.02952	4.1
111.04543	1.0
113.02450	1.8
117.03513	1.3
119.03493	1.4
119.05018	1.9
121.02921	0.9
123.04508	0.8
125.02431	0.5
127.04018	0.7
132.02173	1.6
133.02957	32.5
134.03645	1.0
135.04518	17.0
136.04820	1.2
137.02432	1.9
149.06073	2.4
152.01129	3.2
153.01970	0.9
155.99693	0.5
161.02437	100.0
162.02812	4.4
163.04054	1.7
173.04517	1.5
173.10448	0.7
177.05566	4.8
178.02541	0.5
179.03485	21.0
180.03836	1.3
191.05623	7.7
203.03442	0.6
214.12433	0.6
221.04527	8.9
222.04900	0.6
235.06088	0.6
251.05603	11.4
281.06665	21.6
282.06961	1.5
321.65710	0.5
341.08752	7.4
397.11304	3.4
441.14038	37.0
442.14392	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	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01376	10.2
61.98823	2.4
63.98300	0.7
66.55967	0.8
69.20573	2.6
69.20997	3.5
71.01379	9.9
71.05015	1.6
72.99281	1.3
73.02940	2.4
78.95913	1.3
79.95737	1.6
80.96494	0.8
83.05032	4.9
85.02943	2.1
86.80125	0.7
87.00877	3.3
89.02473	1.4
93.03414	1.3
96.96001	2.1
98.19837	1.3
99.00912	1.3
101.02431	4.4
101.06082	4.5
103.05528	3.3
111.04504	1.8
113.02444	2.2
115.05472	0.7
119.05014	2.1
125.02422	0.7
129.05577	14.4
131.05011	2.0
133.03009	0.9
133.06607	1.3
135.04556	1.1
145.06593	1.0
147.04517	84.8
147.06422	10.5
148.04860	4.3
148.40297	0.7
161.02437	2.3
161.06070	22.4
162.06377	0.8
163.04099	0.7
165.16838	0.7
189.05534	3.8
191.05582	2.0
211.13274	1.0
291.10843	12.2
292.11133	1.3
293.12485	1.4
299.87482	0.7
306.52814	0.6
331.42065	0.7
439.16055	100.0
440.16382	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	441.14
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
59.01376	14.8
60.06192	0.9
64.82560	0.9
71.00025	0.8
71.01377	8.6
73.02948	0.8
82.06985	0.7
85.02917	2.4
89.02444	8.5
93.03423	1.7
99.04473	1.4
101.02442	4.0
106.58113	0.7
108.01493	1.5
108.02168	20.7
109.02972	9.1
113.02406	2.6
117.03416	1.1
119.03481	1.3
119.05016	4.3
120.05269	1.1
121.02927	1.0
123.00908	1.0
125.02361	1.6
131.03415	1.2
132.02132	1.6
133.02953	23.0
134.03378	1.4
135.04530	26.1
136.04753	1.9
137.02374	2.1
145.02896	0.9
147.04453	2.3
148.05276	1.0
149.06062	4.2
151.03946	0.9
152.01151	13.4
153.01906	5.2
161.02432	100.0
162.02783	5.5
163.03958	2.2
164.04207	2.1
176.20381	0.7
176.56317	0.7
177.04121	0.8
177.05537	9.6
179.03481	25.3
180.03780	1.0
190.33759	0.8
191.05594	4.0
221.02686	1.1
221.04510	11.1
251.05580	8.6
252.05742	0.9
279.10791	5.5
281.06662	14.7
282.06793	1.6
295.10291	0.9
305.06647	0.9
315.06827	0.9
327.10571	1.1
341.08643	4.9
441.13635	51.6
442.13837	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	441.14
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
57.03434	0.7
57.78308	0.5
58.00584	0.6
59.01377	8.8
60.22051	0.7
61.98805	0.9
71.01375	6.8
71.52426	0.7
71.52793	0.6
73.02924	1.2
81.95284	0.5
85.02956	2.2
87.00882	0.7
89.02434	4.1
93.03439	2.0
95.01380	0.9
101.02465	2.9
105.03519	0.6
108.02167	3.5
109.02952	4.1
111.04543	1.0
113.02450	1.8
117.03513	1.3
119.03493	1.4
119.05018	1.9
121.02921	0.9
123.04508	0.8
125.02431	0.5
127.04018	0.7
132.02173	1.6
133.02957	32.5
134.03645	1.0
135.04518	17.0
136.04820	1.2
137.02432	1.9
149.06073	2.4
152.01129	3.2
153.01970	0.9
155.99693	0.5
161.02437	100.0
162.02812	4.4
163.04054	1.7
173.04517	1.5
173.10448	0.7
177.05566	4.8
178.02541	0.5
179.03485	21.0
180.03836	1.3
191.05623	7.7
203.03442	0.6
214.12433	0.6
221.04527	8.9
222.04900	0.6
235.06088	0.6
251.05603	11.4
281.06665	21.6
282.06961	1.5
321.65710	0.5
341.08752	7.4
397.11304	3.4
441.14038	37.0
442.14392	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	439.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25888	0.5
59.01373	1.8
60.03063	0.4
60.20509	0.4
69.03443	0.9
69.42505	3.8
71.01376	2.0
78.95864	0.6
79.95733	1.3
81.03398	0.4
85.02944	1.8
85.06597	0.6
89.02435	0.6
89.34910	0.4
93.03455	1.5
96.96003	2.7
98.20722	0.9
99.00859	0.6
101.02435	1.2
113.02466	2.6
115.07639	1.5
117.03458	1.5
119.05022	93.2
120.05325	3.7
125.02444	1.0
127.04021	0.6
132.02168	1.0
133.02954	20.5
134.03252	0.6
135.04503	5.5
137.02386	3.3
147.04529	0.9
161.02434	61.3
162.02744	3.9
163.03999	100.0
164.04317	5.4
173.04504	0.6
179.03488	3.5
191.05611	7.5
195.78123	0.6
208.33244	0.5
251.05621	0.7
252.65762	0.5
262.85883	0.4
281.06665	1.0
311.04608	0.6
325.09299	6.2
326.09604	0.5
342.27112	0.5
351.03735	0.7
386.67438	0.5
438.90454	0.5
439.11066	1.9
439.16080	38.7
440.11084	0.8
440.16293	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	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11374	0.4
66.48544	0.3
70.46952	0.4
78.95903	46.9
79.95725	0.5
96.96037	18.2
96.96956	100.0
98.19913	0.7
100.93542	0.4
126.03861	0.4
153.99051	0.4
212.62828	0.4
439.08530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36607	0.3
59.01378	2.1
61.98830	0.4
71.01353	1.7
78.95889	0.7
79.95734	27.4
85.02955	1.2
89.02439	1.7
93.03428	0.9
96.96007	100.0
101.02426	0.9
108.02187	1.1
109.02956	2.2
110.97556	1.8
113.02457	0.5
119.03510	0.4
119.05002	0.6
120.99625	1.6
123.04475	0.4
125.02462	0.5
131.03433	0.6
133.02963	1.1
135.04539	1.2
136.99110	0.6
141.95753	1.9
145.08701	2.2
149.04549	0.5
152.01173	1.0
153.01886	1.2
156.09149	0.4
161.02466	3.2
167.00146	0.9
169.01402	0.5
173.04559	0.4
179.03471	1.0
189.29361	0.3
191.05594	3.0
205.09016	0.4
239.07143	0.4
251.05545	0.4
281.06650	0.8
313.10715	1.0
321.13971	0.4
321.96960	0.3
344.12628	0.6
345.53497	0.3
359.15033	0.8
393.17761	0.9
421.16962	0.4
424.02878	0.4
424.08313	0.9
439.10648	64.4
440.10928	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	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17825	1.3
59.01365	3.4
61.98828	100.0
64.07678	1.4
67.08634	1.4
69.25433	13.6
69.25713	1.2
78.98082	1.2
80.50478	1.3
98.01622	1.3
239.39188	1.4
250.96439	1.3
300.45300	1.5
306.66382	1.5
325.88986	1.4
375.20236	7.7
438.20416	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	438.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
59.01377	18.6
61.01795	3.4
61.98829	100.0
69.35107	10.7
79.06615	1.3
79.95741	11.1
93.03470	1.6
95.60870	1.4
95.95214	2.9
96.96013	22.6
106.14730	1.2
110.23786	1.3
111.57932	1.3
125.02403	4.8
126.02769	1.9
129.25238	1.5
133.02866	2.1
137.02371	3.2
148.66997	1.3
161.02437	6.8
171.60243	1.2
175.10547	1.4
191.05678	3.2
234.18837	1.5
301.00443	1.5
309.57950	1.4
425.88535	1.6
439.10553	21.4
439.16214	5.5
460.57852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61105	0.1
59.01389	0.1
62.96373	0.2
69.68309	0.6
77.27418	0.1
78.95901	48.8
79.95718	0.4
84.32867	0.1
89.02456	0.1
96.96041	19.2
96.96955	100.0
107.91103	0.1
117.47598	0.2
120.54899	0.1
143.46107	0.1
150.47371	0.1
158.26863	0.1
200.74400	0.1
216.08203	0.1
222.78967	0.2
230.38124	0.1
296.53049	0.1
338.82956	0.1
341.11896	0.2
344.00394	0.1
382.55057	0.2
398.70160	0.2
439.10220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32794	2.0
59.01374	7.1
61.98829	100.0
69.03455	19.5
70.49799	5.6
71.01382	4.0
78.11059	1.5
78.95924	2.5
79.95722	4.3
81.03463	1.9
85.02958	2.0
96.96004	6.3
101.02457	2.5
113.67507	1.7
125.02441	2.4
127.77657	2.0
133.02945	8.7
134.03706	6.4
135.04521	87.7
136.04863	2.3
136.67586	1.6
147.04494	10.3
147.06485	2.0
148.04782	1.9
148.09824	2.3
151.07654	2.6
161.02425	29.9
161.06075	6.2
169.01443	2.3
179.03488	73.3
180.03819	4.2
191.05611	6.2
261.07678	16.2
279.05270	3.0
313.10922	2.4
327.98083	3.9
331.11853	65.8
332.12085	7.4
358.02734	3.5
387.03421	1.9
426.72913	2.0
438.20407	5.4
439.16034	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	438.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33768	0.5
52.73509	0.7
59.59651	0.5
61.98830	100.0
71.96435	0.6
73.06024	0.6
78.95906	45.3
96.96024	54.7
96.96976	97.2
99.61870	0.6
100.05623	0.6
118.00349	0.6
138.25340	0.6
171.97412	1.2
172.01117	0.7
191.05597	4.5
192.05936	0.9
197.98999	1.6
217.99550	1.0
219.01601	0.8
245.99020	2.1
258.01178	0.7
268.40900	0.6
275.04489	1.1
276.02124	10.2
276.04807	0.7
378.06158	2.2
427.03955	0.6
438.05130	4.4
439.09045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	42.5
63.17863	16.3
71.54457	21.4
98.99233	19.3
99.00874	19.2
100.52177	18.6
101.02438	24.6
111.02907	18.1
129.48997	17.6
129.72522	17.0
163.03883	18.0
169.07651	19.5
176.35576	20.4
191.05580	27.4
317.12778	88.1
327.47269	17.8
375.18423	18.4
387.77948	18.7
437.23001	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2543
Annotation	Tritoniopsin B
Peak:m/z	Relative Intensity
57.03454	1.5
59.01368	2.0
69.03442	3.9
71.01383	1.2
71.05003	3.6
73.34130	1.2
78.21742	0.9
81.05563	1.1
89.61072	1.0
102.88525	1.0
120.51189	1.0
125.09715	3.1
140.87859	1.0
151.11374	1.4
153.12827	2.2
161.09720	2.1
166.74576	0.9
179.10767	4.4
180.11214	1.3
183.13858	4.4
191.05637	1.1
191.37318	1.1
195.13914	12.4
197.11816	100.0
198.12209	5.3
213.14955	17.7
240.68536	1.4
241.10818	7.3
333.04126	1.3
437.25400	87.0
438.25845	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	436.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06873	2.8
59.01379	61.8
60.01708	14.3
61.01793	9.4
61.98830	100.0
71.01374	6.7
85.02979	3.4
93.03430	3.8
100.58334	2.9
100.70319	3.5
105.99313	3.0
119.05070	3.3
121.02798	3.1
125.02440	13.9
125.31114	3.2
151.00305	4.6
179.03545	4.4
187.07632	18.9
191.05595	15.0
231.06575	12.2
231.10521	3.1
245.87122	3.4
257.08124	7.0
273.07700	5.0
275.09143	7.1
331.02676	6.0
333.09836	4.0
347.11331	5.1
349.03879	6.7
437.05380	3.3
437.14658	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
61.98828	100.0
71.01382	1.4
71.54091	1.0
112.29465	0.7
183.72495	0.8
191.05583	2.8
199.14600	0.8
238.90703	0.8
319.91348	0.8
348.07187	0.8
376.17615	0.9
436.19577	1.0
437.13297	0.8
437.19641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01361	2.0
67.01884	1.1
69.16681	4.4
69.17097	1.2
71.01362	1.9
71.04993	0.6
79.95743	0.7
81.03447	5.8
83.01397	1.2
83.05070	0.5
85.02946	1.8
85.06586	0.6
87.00831	0.6
93.03451	1.6
95.05022	9.0
96.05344	0.6
96.96012	14.3
97.02945	2.5
97.06554	0.8
98.95603	2.1
99.04527	2.5
99.92566	4.1
100.93359	0.8
101.02460	0.9
107.04993	0.6
108.02168	1.2
109.02919	1.4
109.06582	2.0
111.04516	5.0
113.02419	0.7
115.92080	11.2
116.92104	1.0
116.92849	5.2
117.03450	0.7
119.05036	5.3
121.02917	1.4
122.03681	0.6
123.00887	0.9
123.04537	6.1
124.01682	0.9
125.02444	11.1
127.07631	0.8
135.04501	1.5
137.02448	1.2
138.03227	0.9
139.04001	1.6
145.02942	1.6
149.02548	0.8
149.06084	1.2
150.03221	0.5
150.06865	1.0
151.07639	5.8
153.01926	1.5
153.05553	1.7
155.03400	0.9
161.02460	1.1
163.03960	2.8
165.01955	0.8
165.07813	0.6
165.09190	8.0
167.03484	31.1
167.07126	2.0
168.03786	1.5
168.96039	1.1
169.08698	0.9
173.04539	1.8
176.01256	0.5
177.05666	0.6
179.03555	0.9
181.05081	0.7
191.05623	7.3
192.05956	1.0
193.04897	0.9
193.08730	2.6
195.06618	9.8
196.53081	0.7
197.04541	0.9
201.11208	0.6
207.06592	2.4
209.08173	1.8
210.97002	3.2
218.97546	0.6
228.98076	0.8
234.97015	0.6
235.06055	0.5
237.07664	100.0
238.08038	7.4
241.00169	3.4
246.97055	1.6
249.07726	0.8
267.08710	9.4
279.08807	0.8
311.04370	4.7
312.04562	0.6
317.03085	0.7
339.10495	1.5
347.11179	0.7
357.00708	10.5
357.11859	16.5
357.16141	1.0
358.00964	1.9
358.12250	1.9
437.07202	12.9
437.15997	0.9
438.07791	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	436.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.16442	6.4
69.16785	1.2
72.38037	0.6
84.24095	0.5
110.31063	0.6
142.30359	0.6
245.36369	0.6
274.64633	0.6
344.22687	0.8
390.59033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21767	0.5
59.24809	0.5
61.98829	100.0
79.36934	0.5
93.29189	0.5
96.95942	0.7
98.20683	1.1
101.86755	0.5
117.58361	0.6
119.11507	0.4
141.00522	0.5
243.55710	0.5
373.11630	0.7
409.93198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21830	0.6
57.03424	0.6
58.50614	0.5
59.01379	3.8
61.98829	100.0
69.40893	3.4
71.01375	0.6
79.95715	0.8
81.03465	3.0
82.03816	1.2
83.01417	1.9
84.01700	0.6
93.03440	2.8
94.03802	0.6
101.02461	0.6
119.05051	2.2
119.70209	0.6
120.05335	1.5
123.04523	11.3
123.05384	0.7
124.04860	3.4
125.02454	5.2
125.24621	0.5
125.87829	0.5
126.02795	2.0
136.01712	0.9
144.51631	0.6
150.02725	0.6
150.59993	0.5
151.00377	0.7
151.04012	0.9
152.00735	0.7
167.03488	21.9
168.03824	13.4
179.03545	2.4
180.03891	1.7
189.05505	0.9
190.05942	0.6
191.05606	1.5
273.07681	12.9
274.08017	31.4
275.08408	2.1
310.37964	0.6
390.58951	0.6
437.09314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.7
71.52357	1.2
72.99316	5.5
78.95898	12.1
80.96336	2.0
96.96928	1.9
97.06581	6.6
113.09664	1.6
115.07633	1.1
125.06078	40.6
126.06440	1.4
127.07510	1.1
141.11133	1.0
143.07132	63.5
144.07471	2.7
151.07678	1.3
152.99571	17.1
153.99861	5.5
155.00012	8.7
165.12926	1.7
167.14401	2.2
181.12358	3.8
195.13902	2.0
196.60443	1.0
211.13374	5.0
221.15524	1.3
224.49074	1.1
226.08556	1.2
240.13531	1.4
247.20590	2.4
273.18555	1.4
274.18668	1.3
287.20126	1.1
291.19641	25.2
292.19846	1.8
309.20685	100.0
310.21039	10.1
435.27438	12.1
435.33951	2.1
452.52103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01378	100.0
60.01726	1.1
61.98829	4.2
69.16192	0.5
71.01380	5.6
71.53694	0.6
73.02948	2.0
81.03454	3.4
83.01385	1.7
85.02935	5.1
87.00879	1.1
89.02431	1.4
90.45555	0.5
93.03456	15.8
94.03783	1.0
95.01368	1.1
96.95984	0.9
97.02930	0.7
98.53441	0.5
99.00828	1.2
101.02453	5.6
105.93179	0.6
108.02169	10.7
109.02968	4.8
110.62210	0.5
113.02425	2.8
119.03526	0.5
119.05035	3.7
123.00874	1.1
123.04538	5.1
124.01675	1.0
125.01818	0.4
125.02464	4.8
133.02936	1.6
135.04501	2.4
135.41214	0.5
137.02432	17.6
138.02809	0.9
141.03070	0.5
149.02513	0.6
149.99561	1.2
151.00294	1.3
152.01144	14.2
153.01936	7.2
161.02408	4.7
161.04491	3.0
161.05804	0.5
163.03961	1.6
165.01894	0.6
166.99802	0.5
167.03485	13.5
168.00650	2.3
168.03789	1.2
169.01263	0.8
173.04552	1.7
179.03433	2.8
191.03740	1.2
191.05591	26.3
192.06006	2.6
199.07690	0.8
199.13245	0.6
209.04472	0.8
211.07613	0.7
219.02878	1.1
273.04807	0.9
273.07660	16.0
274.07990	1.5
279.05396	0.5
297.06235	2.7
315.07129	3.3
375.19901	2.0
375.24164	5.4
376.24472	0.8
428.09329	0.7
435.08951	19.5
436.09317	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	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	76.6
61.98821	7.3
71.01378	6.8
71.24562	1.1
71.53587	1.5
73.02964	1.6
75.00859	1.2
85.02951	3.9
85.63591	1.0
87.00878	1.6
89.02428	2.7
93.03459	4.1
96.95967	1.5
101.02449	4.6
109.02964	1.7
112.98379	1.0
113.02479	5.1
119.03519	1.1
131.03493	1.0
135.04518	4.1
135.16969	1.1
161.04593	2.2
163.04143	1.5
169.07700	3.8
173.04489	2.3
183.13927	9.4
191.05600	12.1
195.13899	7.4
213.14949	100.0
214.15346	6.8
237.14944	1.1
255.15974	1.9
303.18210	2.0
320.21701	1.2
363.16937	1.4
435.21124	2.3
435.26306	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01378	100.0
60.01726	1.1
61.98829	4.2
69.16192	0.5
71.01380	5.6
71.53694	0.6
73.02948	2.0
81.03454	3.4
83.01385	1.7
85.02935	5.1
87.00879	1.1
89.02431	1.4
90.45555	0.5
93.03456	15.8
94.03783	1.0
95.01368	1.1
96.95984	0.9
97.02930	0.7
98.53441	0.5
99.00828	1.2
101.02453	5.6
105.93179	0.6
108.02169	10.7
109.02968	4.8
110.62210	0.5
113.02425	2.8
119.03526	0.5
119.05035	3.7
123.00874	1.1
123.04538	5.1
124.01675	1.0
125.01818	0.4
125.02464	4.8
133.02936	1.6
135.04501	2.4
135.41214	0.5
137.02432	17.6
138.02809	0.9
141.03070	0.5
149.02513	0.6
149.99561	1.2
151.00294	1.3
152.01144	14.2
153.01936	7.2
161.02408	4.7
161.04491	3.0
161.05804	0.5
163.03961	1.6
165.01894	0.6
166.99802	0.5
167.03485	13.5
168.00650	2.3
168.03789	1.2
169.01263	0.8
173.04552	1.7
179.03433	2.8
191.03740	1.2
191.05591	26.3
192.06006	2.6
199.07690	0.8
199.13245	0.6
209.04472	0.8
211.07613	0.7
219.02878	1.1
273.04807	0.9
273.07660	16.0
274.07990	1.5
279.05396	0.5
297.06235	2.7
315.07129	3.3
375.19901	2.0
375.24164	5.4
376.24472	0.8
428.09329	0.7
435.08951	19.5
436.09317	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	435.1293
Annotation	Phloridzin
Peak:m/z	Relative Intensity
50.72227	0.3
52.61454	0.3
57.03445	2.1
59.01378	11.4
60.01725	1.1
61.01803	0.5
61.98828	19.4
65.00330	0.9
69.56466	2.6
71.01378	1.3
74.13322	0.4
81.03457	11.7
82.03793	0.4
83.01372	4.2
85.02972	0.4
93.03458	7.0
95.01403	0.7
95.05005	0.5
99.04509	0.6
101.02424	0.8
107.01388	1.3
111.04495	0.4
119.05026	9.6
119.05819	0.6
120.05327	0.6
123.04523	31.3
124.04849	0.9
125.02446	14.7
127.67152	0.4
135.04526	1.8
149.02457	2.5
151.00368	3.1
157.89546	0.4
161.04610	0.6
163.05107	0.3
165.05602	0.4
166.02759	0.4
167.03490	80.1
168.03839	4.4
179.03499	8.0
180.03822	0.7
187.03754	0.4
189.05597	2.1
191.03513	1.1
191.05582	1.0
229.08687	1.0
255.06497	0.8
273.07675	100.0
274.07990	7.9
282.63681	0.4
288.04916	0.4
297.07755	0.5
315.08783	0.5
374.22430	0.5
375.22916	0.7
435.12289	1.1
459.94287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97480	2.5
59.01379	17.4
61.98828	4.8
69.24333	18.1
70.68317	2.0
71.01375	6.2
78.71531	2.7
80.91671	12.0
85.02946	5.0
87.00875	5.6
93.03449	7.6
96.96004	14.4
99.92585	14.7
101.02408	4.2
108.02193	2.2
109.02985	3.3
113.02438	3.1
115.92059	10.1
116.92874	3.6
119.04999	2.4
121.02943	2.9
123.00828	2.7
133.02937	2.5
135.04469	2.9
137.02428	3.6
149.02415	30.0
150.03221	49.0
151.03580	2.8
161.02438	3.9
161.04533	3.8
163.03973	9.4
164.04785	15.6
165.05562	100.0
166.05899	6.9
173.04564	5.4
180.04198	2.8
191.05602	64.3
191.34383	2.5
192.06039	2.8
193.05978	2.9
195.06665	15.8
238.45924	2.4
238.96555	3.0
255.96796	2.8
256.97552	3.8
262.96484	3.9
278.10861	2.5
327.10925	24.2
353.08670	3.4
373.00040	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	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00212	0.6
55.01868	0.7
57.03448	1.1
57.48380	0.7
59.01377	100.0
60.01698	1.0
61.98824	4.3
69.03462	1.0
69.54093	5.5
71.01382	8.4
73.02948	3.3
81.03459	2.2
83.01384	2.1
85.02944	6.9
87.00885	2.1
89.02460	2.6
93.03454	31.7
94.03788	1.7
95.01427	1.1
96.95994	0.9
97.02957	1.1
99.00896	1.1
99.14935	0.7
101.02439	7.5
108.02171	28.4
109.02963	13.3
111.00884	0.8
111.04533	0.9
113.02444	2.6
119.04975	1.2
121.02954	1.1
123.00887	1.3
123.04517	2.5
125.02460	2.4
133.02966	1.0
134.03716	0.8
135.04538	2.5
137.02441	46.8
138.02811	1.3
149.02408	0.8
151.00264	0.8
151.03996	1.0
152.01152	37.8
152.02399	1.8
153.01949	16.7
161.02379	2.6
161.04506	3.9
163.04047	1.8
165.01898	1.0
167.03476	3.9
168.00606	1.1
173.04573	2.8
179.03513	2.9
191.05602	29.1
192.05943	2.5
199.07715	0.8
219.03006	1.0
273.07748	4.6
279.05020	1.3
297.06049	9.9
298.13245	0.9
303.21634	4.9
315.07178	8.8
316.07986	1.0
331.02982	0.8
347.83578	0.8
353.08746	0.9
375.20184	10.1
376.20645	1.7
435.09204	47.5
435.26123	8.5
436.09503	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	435.0931
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
59.01383	5.0
61.98812	1.3
69.03087	0.7
69.03440	3.7
69.06005	0.5
71.01360	0.8
71.30777	1.3
79.01898	2.5
81.03450	1.7
82.19997	0.6
83.01389	2.3
85.02964	0.6
95.01389	1.4
97.02950	3.3
107.01360	2.7
109.02935	1.5
121.02954	10.2
122.03233	0.6
123.00890	7.7
124.01666	24.1
125.02448	61.5
126.02745	1.9
135.04543	0.9
137.02451	3.1
149.99579	39.5
151.00349	3.9
167.03456	0.8
167.93326	0.8
168.00638	68.1
169.01341	6.1
174.32677	0.5
179.03644	0.5
191.05591	4.2
195.19464	0.7
229.08607	1.0
273.07874	0.6
313.05643	3.7
417.08420	4.9
435.09277	100.0
436.09692	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	435.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12163	0.9
52.39309	0.8
59.01374	4.3
61.98836	1.1
63.89483	0.8
64.20734	0.8
67.01838	0.9
69.03445	3.5
71.01373	2.8
71.51157	1.5
72.99301	0.8
78.95898	6.9
83.05034	1.2
85.02940	10.1
87.00861	2.2
87.16252	0.8
93.03454	7.0
96.96026	5.8
96.96964	12.3
97.02924	0.9
101.00930	1.8
109.02948	2.0
111.00855	1.0
111.04524	1.7
112.98756	0.9
113.02451	1.9
117.00460	4.4
125.00908	2.3
126.98840	3.1
127.02524	4.4
127.04008	3.0
135.04485	2.6
137.02435	2.9
141.00418	2.5
141.04074	1.8
143.01984	1.2
147.03040	1.4
149.00899	1.8
150.03192	1.1
151.02472	1.9
152.30360	0.8
155.01976	1.0
155.03529	1.1
157.03519	3.7
161.02429	0.9
165.05556	1.6
167.01970	4.4
168.99907	12.7
169.03564	5.3
170.00084	1.0
171.03020	4.1
171.05141	1.0
173.00937	7.1
173.04559	10.1
174.00996	1.1
175.02496	23.7
176.02603	2.4
179.03548	0.9
181.03549	1.3
183.01511	1.0
183.05025	1.8
187.99603	2.4
190.01208	3.9
191.02107	1.5
191.05600	64.7
191.55385	0.8
191.99268	0.8
192.05916	3.8
193.03514	2.1
195.01477	26.0
196.01707	2.5
199.02536	2.2
201.00432	21.2
202.00691	1.6
211.01013	3.2
213.02544	1.3
215.01981	1.0
215.05608	1.3
217.03535	11.9
218.03703	1.3
219.01477	51.7
220.01743	5.1
225.02486	2.8
231.03609	3.8
234.00169	0.9
243.01468	15.3
243.05174	1.5
244.01633	2.0
245.03006	2.2
255.03549	5.2
259.04544	5.8
260.95013	1.1
261.02466	1.8
270.93530	1.1
271.04663	1.5
273.04633	100.0
274.04828	12.4
287.04102	3.6
289.01987	13.7
290.02243	1.5
315.03561	2.8
331.03159	4.2
332.03186	1.1
357.04590	2.8
375.05658	76.3
376.05823	13.7
393.06735	31.6
394.07068	5.5
435.07751	35.4
436.07840	7.1
447.29892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.093
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
55.01881	0.7
58.35952	0.6
59.01368	2.6
67.22912	0.7
71.01383	6.2
73.02937	2.6
81.03420	1.0
81.65311	0.6
83.01366	2.0
85.02950	4.4
90.34468	0.8
93.03461	15.8
94.03801	0.9
95.01372	1.8
96.99319	0.8
101.02438	3.1
102.21536	0.7
108.02171	61.5
109.02958	44.8
110.03271	1.8
113.02445	3.1
118.12331	0.7
121.02947	1.8
121.41875	0.6
123.00856	1.4
124.57220	0.6
125.02369	0.9
135.04440	1.1
136.01643	1.5
137.02437	27.1
137.60518	0.6
139.28078	0.6
151.04001	1.2
152.01147	75.3
153.01941	34.0
156.12167	0.6
161.02394	1.6
163.03955	1.6
165.01999	0.8
167.99667	0.8
170.64531	0.6
179.03484	1.7
191.05618	4.6
281.06607	5.8
285.04013	1.3
295.75317	0.8
297.07416	0.8
315.07181	14.0
315.10568	1.2
341.06546	1.8
359.07971	1.2
391.10297	3.7
435.09274	100.0
435.22009	2.0
436.09567	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	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01379	4.5
63.55758	0.6
64.15319	0.8
69.79071	2.8
71.54161	0.6
78.95930	0.6
78.97379	0.7
117.03465	17.5
118.03828	0.8
119.05027	25.7
120.05387	1.1
120.87276	0.7
121.02937	0.9
123.04592	0.7
132.71181	0.8
133.02907	0.9
145.02953	100.0
146.03331	4.7
152.99640	0.7
163.04007	18.6
163.30605	0.7
164.04384	0.7
180.29977	0.6
189.60257	0.6
231.98698	0.6
237.86060	0.6
267.37015	0.7
268.62231	0.8
269.21167	1.6
287.22311	9.3
300.02444	0.9
433.25903	35.0
434.26184	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40568	0.5
56.16214	0.5
59.01379	13.2
60.01708	1.4
61.71539	0.6
61.98828	100.0
64.96329	0.5
65.96219	0.5
66.08640	0.5
69.75938	1.4
69.76366	1.9
71.01394	1.3
72.22443	0.5
73.02950	0.7
85.02944	0.6
89.02484	1.1
93.03420	0.7
98.19992	1.1
101.02468	1.5
143.73238	0.5
151.00378	0.8
161.04617	0.8
191.05537	2.9
227.72345	0.6
326.46497	0.6
339.41464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52179	0.9
52.48016	1.1
59.01070	1.7
59.01377	54.5
60.01704	4.8
61.98828	100.0
69.57158	2.6
69.57543	6.7
71.01370	3.3
85.02938	3.0
89.02431	1.4
93.02879	1.3
93.03459	21.8
101.02468	1.5
108.02169	3.2
109.02238	1.6
109.02953	24.6
112.85055	1.2
113.02448	1.6
122.90002	1.1
137.02441	32.4
152.01140	3.6
153.01938	32.8
156.51219	1.3
161.04576	1.6
173.04547	1.1
179.03442	1.3
188.97305	1.0
191.05598	18.1
192.06053	1.3
202.59183	1.3
203.45979	1.1
227.77312	1.1
229.01410	2.8
271.18948	2.1
272.19464	3.0
297.06094	2.0
315.07153	8.1
374.22388	2.0
434.24918	2.4
435.09222	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.4
60.01707	1.1
61.98829	100.0
69.53554	8.2
71.01393	1.8
75.59002	1.2
85.02966	1.7
93.03429	2.8
98.20620	2.3
101.02414	1.8
137.02466	1.3
161.02467	1.9
173.04532	1.3
191.05632	9.7
212.33289	1.2
229.01398	2.3
242.85965	1.1
262.90265	1.1
296.76733	1.4
325.79422	1.1
335.67151	1.3
370.12274	1.3
435.02982	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	435.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99112	1.0
59.01376	5.4
69.03458	3.7
69.85777	1.1
70.84968	2.6
71.01372	3.1
74.66467	1.0
78.26005	1.2
78.95895	1.7
85.01457	2.6
85.02949	11.7
87.00864	1.6
93.03459	6.1
96.96983	1.5
101.00935	2.0
109.02930	1.7
111.04498	1.6
117.00426	1.7
125.00909	3.9
126.98925	1.1
127.02488	3.9
127.03966	2.0
135.04541	2.4
137.02463	2.1
141.00415	3.7
141.04131	1.4
143.01973	1.6
147.03061	2.2
149.00903	1.3
150.03299	1.2
151.02565	2.9
153.00424	2.4
154.56390	1.0
157.03571	3.2
165.05544	1.6
167.01990	4.8
168.99922	11.7
169.03574	5.5
170.00040	1.6
171.02966	5.1
173.00961	5.1
173.04578	11.9
174.04749	1.1
175.02492	19.2
176.02701	1.7
179.03497	1.1
181.03603	1.0
183.05124	2.3
187.99605	2.5
190.01195	4.2
191.01984	1.9
191.05600	63.3
192.05923	2.9
193.03656	2.9
195.01472	26.1
196.01715	2.5
199.02457	2.5
201.00415	19.8
202.00781	1.5
211.00996	4.5
215.02031	2.3
217.03548	16.3
218.03673	2.1
219.01468	45.5
220.01714	6.0
225.02612	2.8
227.00302	1.0
231.03619	3.1
237.02423	1.5
243.01472	14.5
244.01877	1.3
245.03033	2.9
255.03639	6.2
259.04565	5.6
261.02451	1.9
271.01105	1.3
271.04507	1.4
273.04630	100.0
274.02469	1.3
274.04868	11.6
287.04138	4.3
289.02069	12.0
290.02164	2.3
297.02560	2.5
315.03580	2.1
330.22385	1.2
331.03104	4.2
357.04724	3.1
375.05670	83.1
376.05908	14.9
393.06750	34.3
393.11856	1.9
394.07196	7.0
435.07822	40.1
436.08099	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03447	2.8
58.00577	4.4
59.01379	100.0
60.01729	0.8
69.03452	1.5
71.01377	79.9
71.05002	0.8
71.53232	0.7
72.01718	0.8
72.99303	5.2
73.02946	14.8
75.00865	1.1
79.44276	0.7
81.03493	0.7
83.01381	6.2
85.02947	26.2
87.00889	4.9
87.04522	1.9
89.02441	56.0
93.03483	2.6
95.01369	6.3
97.02941	0.9
99.00876	6.4
101.02441	49.4
108.02193	1.9
109.02950	7.2
113.02448	30.9
119.03495	24.8
123.00854	1.2
125.02444	2.5
129.01924	0.6
131.03510	1.6
132.02180	0.9
133.02959	22.4
135.04523	9.2
137.02460	1.2
143.03517	5.1
149.04559	2.6
153.05595	1.0
159.03009	4.3
159.10284	2.1
161.02441	62.9
161.04492	24.5
162.02731	3.4
162.04836	0.8
173.04625	1.4
179.03525	5.4
179.05550	8.3
180.05887	0.9
187.07542	0.7
191.05623	10.7
192.05930	1.2
195.13904	2.2
201.15025	1.0
218.21416	0.7
238.16457	0.8
239.07159	0.8
242.80188	0.7
253.14433	1.5
271.19116	6.0
287.24710	0.8
315.18060	3.8
321.15558	2.2
323.07681	4.3
333.60571	0.7
357.19177	3.1
363.20114	0.9
415.23282	0.8
433.11450	33.6
433.24902	28.5
434.11981	4.2
434.24918	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	1.0
61.98823	6.4
66.70929	0.3
71.01387	3.6
73.02966	1.1
81.81712	0.4
83.01396	0.5
85.02946	1.2
89.02447	0.9
89.64281	0.3
98.79185	0.3
101.02453	3.3
113.02470	1.2
119.03478	0.4
125.76308	0.3
135.96777	0.4
159.03023	0.4
161.02428	0.5
161.04515	2.0
179.05635	0.4
191.05653	1.1
268.46594	0.3
271.02518	0.4
300.02859	0.9
301.03525	0.4
373.13104	0.6
373.22296	3.5
433.15146	0.6
456.40665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06068	0.6
54.83237	0.6
55.01870	1.3
59.01379	25.3
61.98825	2.4
64.98717	0.6
71.01377	14.5
72.99326	1.6
73.02952	4.2
73.90606	0.5
75.00870	87.2
78.95922	0.6
83.01378	2.2
85.02939	5.0
85.27637	0.6
87.00864	2.0
89.02430	3.9
93.03461	1.4
98.79169	0.6
99.00877	1.7
101.02436	8.8
107.67542	0.6
113.02457	4.2
117.01945	2.1
120.86394	0.5
122.64884	0.6
129.01974	1.7
133.02975	0.8
134.03313	0.6
161.02408	1.5
161.04561	1.7
165.12814	1.2
175.04033	0.8
183.13895	16.2
186.53094	0.6
189.86566	0.5
191.05603	5.7
191.14418	0.8
192.00563	0.7
193.07234	0.7
195.13884	5.5
197.15366	0.6
198.72794	0.7
209.11775	0.6
209.15314	1.2
213.14957	29.8
214.15259	1.5
219.05069	5.6
223.08249	0.9
227.16566	2.7
229.06070	0.7
237.06126	18.8
237.14928	0.8
238.06606	1.0
255.16058	1.4
261.21133	0.6
269.07733	0.7
271.02475	1.3
289.29984	0.8
300.02646	1.0
301.03561	1.2
313.07050	0.6
345.09750	0.8
373.22119	0.7
433.20700	100.0
434.21091	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.01948	0.3
59.01368	1.0
62.23583	0.3
69.15786	3.2
78.95902	72.5
79.07986	0.3
80.81079	0.4
96.96960	5.4
98.19806	0.5
116.32131	0.3
117.86901	0.3
148.52347	0.3
150.98035	1.7
152.99580	100.0
153.99921	1.6
163.80209	0.3
171.00639	3.3
216.02443	0.3
241.96544	0.3
279.23257	1.3
289.63715	0.3
388.65018	0.3
433.23596	11.4
434.23764	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01379	100.0
60.01704	1.8
61.98834	5.1
62.69888	0.3
71.01383	3.5
71.53443	0.7
73.02937	0.8
73.20640	0.3
85.02951	2.1
87.00848	0.5
87.04543	0.8
89.02437	3.7
93.03472	0.7
95.01403	0.5
99.00951	0.5
101.02438	2.3
109.02969	0.9
113.02450	1.8
118.84299	0.4
119.03477	2.2
121.03988	0.4
127.97865	0.4
133.02994	0.8
135.04539	0.7
135.51843	0.4
151.00368	0.9
151.58504	0.4
161.02415	2.1
161.04501	1.8
179.05634	1.2
191.05603	6.2
219.13939	0.6
229.01416	1.3
255.03049	0.5
271.02673	0.5
271.19131	8.0
272.19547	0.8
277.58240	0.4
299.01868	0.4
300.02725	1.2
301.20346	0.8
337.85684	0.4
373.22122	1.8
397.15100	1.3
433.08011	0.8
433.20184	0.4
433.24518	5.1
434.24960	1.0
456.20282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.93706	0.4
57.03447	0.6
58.55393	0.4
59.01377	50.3
60.01714	0.6
61.98826	2.0
62.78379	0.4
63.02380	2.8
64.74386	0.4
65.00323	11.1
70.47965	1.0
71.01384	3.2
73.02952	1.5
83.01385	8.4
85.02963	1.6
89.02444	1.6
93.03450	6.4
97.02962	0.3
99.04509	0.6
101.02416	2.2
104.87172	0.3
107.01387	17.3
108.01723	0.5
109.02976	1.0
113.02477	1.1
117.03471	1.3
119.05022	36.6
120.05375	1.2
121.02972	0.9
125.02416	4.0
133.02994	0.5
143.05023	1.4
145.02954	5.0
146.96080	0.4
149.02484	0.7
151.00362	67.1
152.00690	2.5
153.01836	0.4
161.02458	0.6
161.04588	1.1
161.06087	1.1
165.01926	6.2
169.01440	2.5
171.08325	0.4
177.01932	5.2
178.02313	0.7
185.06064	3.5
186.06306	0.4
187.04030	4.2
191.05618	3.1
193.01390	1.0
199.07661	0.6
202.99823	0.4
207.13832	0.5
208.14005	0.4
227.07153	3.5
229.01419	0.7
229.05040	0.6
246.98802	0.9
251.12906	1.1
252.13210	0.9
253.05028	0.9
253.13350	1.0
267.06644	0.5
269.04501	0.7
271.06097	100.0
272.06409	9.3
287.04474	0.4
295.02582	0.4
295.05975	0.6
300.02603	1.3
301.03436	0.8
301.16827	0.8
301.20120	0.7
313.05524	3.8
326.10797	0.4
329.62985	0.4
338.86612	0.5
373.22345	1.0
433.11423	10.9
433.20541	1.6
433.24936	0.8
434.11703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Robustaside D
Peak:m/z	Relative Intensity
55.01884	0.2
57.03443	0.4
58.00581	0.2
59.01379	5.0
61.98831	0.3
65.00315	0.5
69.00189	0.2
69.03471	0.4
70.26512	0.2
71.01379	6.4
71.53044	0.3
72.99294	0.2
73.02943	1.4
81.03454	0.2
83.01393	0.7
85.02947	4.0
87.00882	0.6
89.02443	3.4
93.03459	1.2
94.67543	0.2
95.01385	1.4
97.02985	0.3
99.00883	0.8
101.02437	3.6
102.86438	0.2
105.03457	0.8
107.01385	0.7
108.02171	3.9
109.02953	9.8
110.03281	0.4
113.02453	2.3
115.01907	0.3
117.03473	1.1
119.03494	1.4
119.05022	1.4
119.58253	0.2
121.03010	0.3
123.00888	0.8
123.04565	0.3
124.01590	0.3
131.03505	0.2
132.02150	1.6
133.02950	35.2
134.03580	1.2
135.04515	11.9
136.04839	0.6
137.02444	0.8
139.04100	0.2
141.63423	0.2
143.03499	0.4
145.02960	0.4
148.05322	0.3
150.29889	0.2
151.00385	2.2
151.03990	0.3
159.04453	0.3
161.02434	100.0
162.02763	5.3
162.04027	0.3
165.01976	0.2
173.04567	0.8
175.03966	0.5
177.01837	0.4
177.05498	1.0
178.02725	0.2
179.03491	7.1
180.03879	0.3
191.05606	3.4
192.05777	0.3
203.03482	0.6
220.03812	0.2
221.04507	1.1
232.13901	0.2
263.05341	0.2
271.06067	3.0
272.06381	0.3
280.06006	0.4
323.07681	5.7
324.08121	0.6
339.04941	0.4
353.08981	0.3
376.27319	0.2
433.11356	56.5
434.11707	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	433.1138
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01875	0.7
57.03433	1.1
59.01377	36.8
60.01671	0.6
61.98838	3.8
63.02392	3.0
64.52103	0.6
65.00326	7.0
67.36163	0.7
69.03461	0.7
69.28558	5.7
70.23385	0.6
71.01384	8.6
72.99319	0.8
73.02948	1.4
80.54660	0.7
83.01397	5.8
85.02959	4.1
87.00885	1.1
89.02460	6.2
93.03459	11.1
95.01363	0.7
96.95991	1.7
97.02937	0.7
98.20766	1.0
101.02434	4.3
107.01389	12.7
108.02184	0.8
109.02949	1.3
113.02438	3.9
117.69712	0.7
119.03501	2.4
119.05027	41.9
120.05360	1.8
121.02928	1.0
122.03735	4.2
123.00918	0.8
125.02426	2.2
133.02962	2.1
135.04556	3.1
137.02489	0.8
143.03491	0.8
145.02939	1.7
151.00368	49.5
152.00700	1.5
159.02948	0.6
161.02444	3.2
161.04541	2.5
161.06006	1.0
163.00398	0.7
163.04033	1.0
164.01166	0.8
165.01947	3.0
169.01390	1.7
173.04489	1.0
173.13211	0.7
175.00340	2.0
177.01897	5.4
179.03427	1.5
187.04005	1.2
191.05614	14.1
192.05966	0.8
193.01381	1.0
226.02803	0.8
227.03455	1.1
227.07172	1.0
237.05850	0.7
243.02934	1.7
255.02997	2.2
270.51938	0.7
271.02728	5.0
271.06104	100.0
272.06430	10.2
295.06131	1.8
300.02817	7.7
301.03580	4.8
301.26462	0.7
313.07138	2.8
357.06207	0.7
389.08447	1.3
433.07303	4.6
433.20551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
58.52353	0.3
59.01378	4.7
62.99039	0.3
63.02397	0.9
65.00330	1.1
69.34422	2.9
71.01401	0.4
83.01394	1.1
85.02919	0.4
89.02431	0.7
93.03469	0.8
101.02422	0.6
107.01407	2.8
108.02167	1.8
109.02962	1.3
119.01366	0.5
121.02951	2.4
135.00854	1.1
148.01657	2.0
149.02490	0.5
150.99193	0.8
151.00366	11.6
152.00706	0.3
161.02417	1.1
163.00397	2.8
164.01106	1.3
169.01469	0.4
178.99873	6.1
183.04526	0.8
191.05730	0.6
193.01495	0.4
199.03914	0.9
199.50424	0.4
209.09023	0.3
211.03969	1.4
215.03540	0.7
216.04237	0.7
226.02724	2.6
227.03467	4.0
229.05005	1.0
230.01918	0.4
239.03409	0.5
243.02971	14.0
244.03401	1.2
245.04478	1.7
254.02206	3.4
255.02974	27.3
256.03351	2.9
271.02466	68.1
272.02933	7.6
273.03970	1.5
283.02383	1.2
299.02008	1.1
300.02740	100.0
301.03461	59.7
302.03909	4.6
433.07718	57.9
434.08017	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
57.97382	0.4
59.01378	9.1
61.98829	1.1
65.00321	3.3
65.03965	0.6
67.01900	1.1
68.99819	0.9
69.28511	3.2
71.01395	1.4
73.02985	0.5
78.95904	0.7
80.02699	0.6
81.03448	2.7
83.01397	1.9
85.02946	0.9
87.00865	0.5
89.02444	0.6
91.01910	0.8
93.03477	1.8
95.01363	2.1
95.23751	0.4
100.92584	0.4
106.84461	0.4
108.02167	2.9
109.02952	10.1
110.00160	0.5
111.00874	1.4
120.99346	0.6
121.02937	0.7
121.08385	0.5
122.06118	0.4
123.00861	2.7
124.01637	1.1
124.07671	0.6
125.02438	1.3
125.99569	0.5
127.00362	0.6
133.06450	0.4
135.00868	0.8
135.04489	0.5
136.01657	1.2
137.02438	47.9
138.02815	1.7
139.00381	4.0
148.04021	1.5
149.02405	0.7
151.00352	3.1
152.01140	0.7
153.01955	1.5
155.03479	2.4
161.02452	1.4
161.04514	0.9
161.05984	0.4
163.00360	10.8
164.01144	10.1
165.01918	64.1
166.02258	3.4
166.05086	0.6
173.02371	0.6
176.01163	1.1
177.01878	1.1
178.99850	14.4
180.00612	4.3
189.05557	1.4
191.03563	0.9
191.05635	1.7
192.05942	0.5
197.19876	0.4
202.78572	0.4
203.03426	0.5
206.99323	5.6
208.00111	91.0
209.00882	100.0
210.01236	4.9
213.14944	0.6
219.02921	0.4
221.05037	0.4
223.09656	0.6
243.02805	0.4
246.98795	0.8
255.02972	0.7
271.02426	0.8
273.12424	0.8
282.89847	0.4
291.13367	0.8
297.07623	0.7
300.02820	1.4
301.03525	0.4
329.10019	0.7
335.12473	3.3
343.76443	0.4
357.09467	0.9
373.09195	0.9
373.22470	0.5
389.12344	1.1
401.08395	1.9
403.13937	0.5
433.11487	10.8
433.18332	0.9
434.11612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04618	0.7
57.03432	0.9
59.01377	100.0
60.01707	5.3
61.01808	1.0
61.98828	87.3
63.02396	1.3
64.35490	0.6
65.00324	1.9
69.03458	0.6
70.98504	0.5
71.01376	13.3
71.53519	0.9
72.01710	1.2
73.02938	4.7
79.19797	0.6
83.01387	2.8
85.02961	4.2
86.03294	0.8
87.00867	1.7
89.02441	7.7
93.03467	2.9
93.76383	0.6
95.01349	1.0
95.16586	0.6
99.00840	1.1
101.02433	9.3
102.02782	1.3
104.76104	0.6
107.01408	3.6
113.02429	5.6
114.02783	1.1
117.56538	0.7
119.03514	4.1
119.05006	7.8
123.00839	0.8
125.02430	0.8
135.04440	1.2
137.02483	0.6
141.09163	1.1
143.03468	1.0
151.00365	11.6
159.02954	1.1
161.02454	0.8
161.04565	4.9
162.04826	1.1
164.01151	0.9
165.01865	1.0
177.01888	3.5
177.03127	0.6
179.05540	1.2
187.07530	1.4
188.07901	1.4
191.05583	6.2
192.05864	0.9
231.06450	0.9
232.06769	0.9
256.03604	1.6
257.08038	0.8
258.08273	0.9
271.02606	1.3
271.06100	26.5
300.02509	2.2
301.03326	1.3
313.06717	0.8
372.21091	4.6
432.13535	0.9
432.22711	1.0
433.11591	5.7
433.27594	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	432.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64198	0.3
59.01375	2.0
61.88968	0.3
61.98829	100.0
69.57122	1.9
70.03787	0.2
71.01382	1.1
85.02966	0.2
87.00885	1.4
89.11504	0.3
94.98087	0.5
115.00352	2.6
159.13455	0.2
167.35353	0.3
169.01346	0.3
175.02470	9.6
175.04004	0.6
176.02777	0.4
184.71837	0.3
191.05641	1.0
274.69702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01377	100.0
60.01718	0.9
61.98832	0.5
67.01879	0.4
70.86086	1.1
71.01376	5.6
71.87813	0.3
73.02934	1.9
77.45673	0.4
81.03458	0.4
83.01399	0.7
84.39728	0.4
85.02952	5.0
85.65529	0.4
87.00887	1.5
89.02457	1.1
90.98602	1.5
93.03448	2.6
95.01395	0.5
96.96015	4.3
99.00885	1.0
101.02441	4.4
108.45459	0.3
111.04510	0.5
113.02431	3.2
119.03537	0.8
125.02409	0.5
127.03997	0.6
127.12399	0.3
128.40585	0.3
134.88332	0.4
143.03513	0.6
154.80527	0.4
157.70885	0.3
159.03014	0.8
161.04521	6.1
173.04623	1.1
173.58467	0.4
191.05600	24.1
192.05983	1.2
213.09178	2.1
257.08182	7.7
258.08554	0.7
323.26096	0.4
338.74149	0.4
363.41937	0.4
371.20676	5.9
371.24866	0.5
372.21136	0.9
431.05209	1.4
431.13416	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	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
65.73260	0.5
71.01336	0.4
78.95889	0.5
114.79578	0.4
117.02655	0.9
117.03471	18.2
119.05027	25.7
120.05361	1.4
121.02959	1.8
123.04535	0.7
133.02922	0.5
145.02950	100.0
146.03284	4.8
152.99577	1.2
163.04007	18.7
164.04332	0.6
184.01068	0.5
208.91716	0.4
255.03111	0.5
267.19739	1.7
285.20697	7.9
286.20966	0.9
395.04761	0.6
413.23489	0.5
431.09750	0.7
431.24365	26.1
432.24701	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	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
62.96389	0.3
64.25113	0.2
70.27349	0.8
78.95901	75.5
88.98815	0.2
95.75553	0.2
96.95959	0.3
96.96959	5.6
123.23787	0.2
148.11754	0.3
150.97992	2.1
152.99579	100.0
153.99898	1.6
171.00629	2.7
277.21732	1.3
431.21967	9.5
432.22342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55569	0.3
55.01885	0.3
55.38648	0.3
59.01377	100.0
60.01715	1.4
61.98850	0.5
67.01895	0.5
70.18259	0.3
71.01379	5.9
73.02947	2.0
81.03406	0.3
83.01398	1.2
85.02943	5.0
87.00866	1.6
89.02461	1.3
90.98578	1.6
93.03455	3.1
95.01399	0.4
96.95999	3.9
99.00916	0.8
101.02441	5.6
111.04522	0.7
113.02444	2.9
119.03520	0.4
127.04018	0.6
143.03517	0.4
149.06044	0.3
159.03012	0.6
161.04543	5.5
173.04613	1.2
191.05602	25.6
192.06001	0.9
192.88512	0.3
213.09193	2.1
257.08145	7.3
258.08624	0.8
371.20728	5.5
372.21240	1.0
431.05048	1.1
431.13440	4.7
432.14075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30048	0.9
59.01380	100.0
60.01696	1.3
68.54209	0.7
71.01376	2.9
71.53390	0.8
75.00816	0.8
89.02444	1.9
93.03391	1.1
95.19539	0.7
100.26809	0.8
101.02460	1.4
108.02129	1.0
113.02505	1.0
115.47404	0.8
125.02391	1.5
133.02948	2.7
134.03748	1.1
135.04510	4.6
138.01976	1.6
138.05550	1.1
161.02444	13.1
162.02780	1.0
176.04765	4.2
179.03485	10.3
180.03749	0.9
191.05556	1.6
191.07161	1.3
194.05832	4.5
209.08200	14.0
210.08438	1.4
221.04617	1.0
281.06644	3.0
367.10529	1.5
410.69443	0.8
431.10132	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99027	0.6
54.34525	0.7
54.73325	0.6
55.01905	1.1
58.00595	1.1
59.01378	41.5
61.98832	1.4
66.36012	0.7
69.23661	0.7
69.33816	5.8
71.01381	18.8
72.01717	0.7
72.99313	1.6
75.77498	0.7
78.95869	0.8
81.69865	0.6
83.01445	1.0
85.02960	5.3
87.00882	0.8
89.02441	22.0
93.03487	0.8
95.01450	1.2
97.66528	0.6
99.04516	26.1
101.02445	8.8
111.04541	0.8
113.02451	7.4
119.03487	5.8
124.59205	0.8
143.03464	0.8
149.04672	0.8
161.04607	0.9
168.47597	0.7
172.05338	1.3
173.04472	0.9
179.05547	1.1
179.43025	0.6
179.67549	0.8
187.07555	3.8
189.12819	6.2
190.13106	0.7
191.05608	4.4
203.79173	0.7
207.13895	27.7
208.14259	2.4
213.09196	0.7
227.03523	3.6
229.05016	1.1
231.06621	2.6
233.11780	1.6
251.12872	100.0
252.13226	9.8
255.03020	5.6
256.03534	1.0
257.08160	1.2
269.13904	1.2
275.09283	0.9
284.03281	4.6
285.04010	6.6
297.94559	0.8
387.10733	1.7
431.10144	4.3
431.19089	23.7
432.19284	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
68.15908	0.4
69.18110	1.0
69.18521	3.1
71.11502	0.4
78.95904	62.6
82.27348	0.4
87.99578	0.4
96.96967	6.3
114.01019	0.4
150.98059	2.2
152.99586	100.0
153.99965	1.9
166.72214	0.4
171.00633	4.8
196.39568	0.4
277.21732	0.6
322.31543	0.4
353.30762	0.5
359.98065	0.5
407.86115	0.5
431.21921	4.9
432.22409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46567	0.9
54.77092	1.0
56.92252	1.0
57.35740	1.1
59.01367	4.3
60.99309	1.6
70.99575	1.6
71.01369	2.4
85.02942	10.0
87.00878	3.6
88.98800	10.6
89.02444	12.2
93.03452	3.4
96.95998	1.0
148.16641	1.0
150.52321	1.1
169.78879	1.1
191.05608	100.0
192.05952	4.7
233.42265	1.1
259.51312	1.0
330.73975	1.0
341.10773	2.3
342.11359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01704	2.0
71.01378	7.9
71.52888	1.5
85.02938	2.1
89.02441	10.8
93.03437	2.9
97.02900	1.2
101.02431	4.2
109.02944	3.4
113.02429	3.7
114.11800	0.9
117.05596	1.4
119.03470	3.0
123.00842	1.9
124.01644	3.4
125.02444	9.2
137.02431	2.6
143.03461	1.2
149.99567	3.3
153.01991	4.2
161.04504	1.6
168.00645	7.9
168.04312	2.1
169.01448	4.1
191.05594	3.0
206.06647	0.8
211.04327	1.1
246.32082	0.8
317.07703	1.4
319.47861	0.9
431.11743	14.6
432.12097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34837	0.4
59.01378	22.3
60.99314	0.5
61.98843	0.5
65.88706	0.4
66.38803	0.3
67.01878	1.5
69.03459	0.7
71.01378	2.2
71.09598	0.4
71.29945	0.5
83.04991	0.5
85.02946	11.4
87.00871	4.2
89.02444	1.0
93.03459	10.3
96.95987	0.5
99.04563	0.5
101.02445	0.8
109.02947	0.5
111.04526	2.3
113.02408	0.5
119.03484	0.4
122.09509	0.4
127.04001	2.8
129.01871	0.5
171.03038	0.6
173.04536	4.5
191.05600	100.0
192.05972	4.3
197.06085	0.6
213.09210	8.1
214.09436	0.9
241.05107	0.5
257.08173	27.0
258.08478	2.5
266.13885	0.4
297.94293	0.4
376.37872	0.4
431.13443	17.1
432.13666	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	431.1347
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.25267	0.2
55.01880	0.4
57.03448	0.3
59.01378	3.8
69.39705	1.5
71.01376	3.2
72.97864	0.2
73.02941	1.5
77.03967	0.2
78.00626	0.2
83.01389	0.7
85.02951	2.8
87.00893	0.3
89.02500	0.2
89.03959	0.3
93.03461	0.4
95.01395	0.6
97.46883	0.2
99.00918	0.3
99.04459	0.2
101.02430	2.2
105.03451	0.5
109.09763	0.2
113.02409	1.2
117.03448	0.9
123.04543	0.2
132.02171	1.9
133.02953	34.6
134.03336	1.0
135.03497	0.4
135.04518	7.2
136.04823	0.2
137.02484	0.6
139.04037	0.5
160.01712	0.2
161.02434	100.0
162.02776	5.4
173.04546	0.3
179.03470	2.8
191.05618	2.9
227.03482	0.5
255.03038	0.5
256.03561	0.2
257.08240	0.8
284.03366	0.6
285.04047	0.8
287.56256	0.2
392.11340	0.2
431.13437	59.5
432.13800	8.3
432.19690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.3
61.98801	1.2
71.52302	1.0
85.01112	1.0
87.00876	9.9
91.54120	0.8
96.87598	0.8
111.02734	2.1
120.99651	10.5
124.69334	0.8
126.05108	1.6
188.24333	0.8
231.21132	3.9
270.28259	0.8
275.20151	62.4
276.20453	6.5
284.82431	1.0
293.21140	0.9
309.18900	39.8
310.19217	5.3
318.27048	0.9
322.14105	1.1
341.21591	1.9
411.22278	1.2
429.23105	100.0
430.23468	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
69.03454	7.6
69.79460	3.8
71.01376	7.3
72.13604	0.6
73.02943	4.9
75.00882	1.2
83.01378	1.8
85.02953	2.6
87.00867	1.0
89.02434	4.0
93.03455	51.7
94.03790	2.7
95.05000	1.1
96.95987	1.6
99.00897	0.7
101.02429	8.2
107.01431	0.9
108.02183	1.4
109.02961	0.8
111.00840	0.8
111.04548	0.8
113.02455	2.0
117.05549	1.4
119.03517	1.5
121.02938	1.9
121.06590	2.9
123.00932	1.4
123.04459	0.9
124.01653	3.1
125.02438	11.3
131.03563	1.1
135.04538	1.9
137.02441	100.0
138.02760	4.7
149.02425	0.8
149.99586	5.1
151.03990	3.2
153.01990	1.0
161.02451	1.8
161.04556	1.3
165.05544	2.7
167.03702	0.8
168.00627	8.9
169.01407	4.8
179.03522	4.1
183.06647	1.1
187.02606	0.9
191.03804	1.0
191.05608	5.2
196.02011	2.6
209.04506	1.4
211.04333	2.4
269.06995	2.4
269.10342	2.1
283.10992	1.0
317.07681	1.4
320.43570	0.8
329.61966	0.8
387.12952	0.9
431.11520	18.4
432.12439	2.7
443.49191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59459	0.4
57.03428	0.7
58.00598	1.7
59.01377	100.0
59.98531	0.8
61.46127	0.5
66.35471	0.5
71.01378	26.2
72.01732	0.6
72.99316	1.4
73.02962	1.2
81.07066	0.7
83.01413	0.8
84.42980	0.5
85.02946	4.8
87.00900	1.5
89.02442	33.0
95.01392	1.5
98.19867	1.1
98.82531	0.5
99.04536	1.6
101.02439	12.7
113.02448	10.4
114.02801	0.6
119.03497	13.9
123.03011	0.5
125.93074	0.5
131.03493	1.5
137.02438	0.9
137.09732	1.5
143.03468	2.3
149.04523	1.2
153.02003	0.8
161.04527	2.8
161.13341	11.3
162.13683	0.9
179.05571	3.5
187.11356	0.9
191.05618	1.0
194.13663	0.5
205.12317	19.6
206.12761	1.1
218.07762	0.5
226.89047	0.6
249.11307	17.7
250.11714	1.8
267.12442	0.7
319.70834	0.5
429.08969	0.5
429.17529	2.6
441.08386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55313	0.4
57.03429	0.5
58.00589	0.5
59.01377	100.0
60.01715	1.2
61.98841	0.9
69.39430	3.1
71.01379	10.7
71.01776	0.5
85.02969	1.7
89.02442	15.2
95.01431	0.7
96.96024	0.5
101.02448	5.5
113.02451	3.9
119.03494	4.8
125.02473	1.8
131.03561	0.8
135.04556	0.6
137.02484	0.6
143.03481	1.0
161.02478	1.4
161.04591	1.3
169.01486	2.3
179.05609	2.8
191.05658	1.9
249.11272	0.9
255.06636	0.5
267.12320	0.9
378.92456	0.4
429.16843	1.9
430.26376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
58.00571	0.5
59.01377	100.0
60.01722	1.0
60.75008	0.4
71.01380	7.7
71.05030	1.4
72.01759	0.4
79.33205	0.4
83.01443	0.5
85.02972	2.1
87.00893	1.0
89.02442	10.9
89.62923	0.4
90.37569	0.5
93.03461	0.7
95.01419	0.5
95.05048	1.1
97.02954	4.0
98.19846	1.0
101.02447	3.6
101.62379	0.4
108.02204	0.7
109.02958	4.1
111.04462	0.5
113.02419	2.3
119.03496	3.8
121.02937	0.5
127.36210	0.5
128.12143	0.5
131.07164	1.0
135.04541	0.5
137.02486	1.5
139.04008	17.7
139.83202	0.4
140.04375	0.8
143.03488	0.8
152.01106	0.6
153.01939	2.9
161.02547	0.6
161.04611	1.0
165.01955	1.6
179.05658	1.7
183.02975	0.8
191.05585	4.9
192.06015	0.5
205.12506	0.6
229.18848	0.4
235.46422	0.5
247.23569	0.5
255.06735	0.9
429.13901	6.8
430.14462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	1.3
61.98840	0.7
69.41636	1.5
69.42052	3.3
71.01379	8.0
71.83662	0.6
72.99335	0.7
85.02972	2.1
87.00894	0.9
89.02448	9.8
93.03470	1.3
101.02458	3.8
113.02444	4.0
119.03490	3.6
120.99682	1.6
137.02452	1.8
159.03070	0.7
161.04587	1.7
179.05719	1.7
191.05653	0.9
192.04501	0.7
369.06296	2.7
369.19357	1.0
380.66373	0.7
397.05804	1.9
429.08105	3.2
429.25372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.2
59.01379	100.0
65.07422	1.3
68.07965	1.3
68.43298	1.2
71.01379	51.6
72.01720	1.4
72.99303	4.0
80.25245	1.5
81.07095	2.0
85.02947	9.3
87.00898	1.8
89.02444	59.4
95.01403	4.1
99.04515	7.3
99.46960	1.2
101.02443	23.6
111.04516	2.5
113.02450	18.5
119.03509	25.9
121.29977	1.4
131.03497	2.3
143.03493	5.0
149.04607	1.7
155.11362	1.4
161.04567	4.3
161.13351	21.3
179.05600	8.3
187.11282	4.7
205.12326	67.8
206.12634	4.5
249.11310	81.0
250.11607	5.0
429.17691	19.2
430.18100	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00567	3.2
59.01378	100.0
59.28326	2.5
71.01381	44.5
71.60223	2.5
72.99300	4.7
81.07109	3.5
85.02946	9.4
89.02446	64.1
89.03005	3.1
91.38072	2.9
93.03430	3.3
99.04528	5.6
101.02443	31.9
110.45796	2.4
113.02451	19.5
119.03502	26.5
131.03473	3.1
143.03435	3.0
155.25464	3.1
161.04539	4.7
161.13339	41.9
162.13600	3.6
179.05608	4.1
182.43010	2.5
187.11363	5.2
203.56561	2.9
205.10368	3.5
205.12308	70.2
206.12604	5.1
229.85806	4.1
249.11302	86.9
250.11581	9.4
376.55032	2.8
416.72278	2.9
429.17593	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71683	0.1
69.80691	0.8
71.01375	0.2
84.93848	0.2
87.68820	0.2
89.32751	0.1
99.92578	5.7
100.92679	0.4
100.93365	7.8
101.93377	0.5
113.92606	0.2
115.92078	100.0
116.92086	5.4
116.92870	5.7
117.92542	0.2
132.92361	1.1
142.94394	0.3
154.94370	0.2
163.34915	0.2
172.95462	5.7
173.95578	0.3
173.98207	0.2
243.57175	0.2
255.23274	0.9
355.15851	0.6
356.16525	0.2
371.15121	0.3
381.17355	0.9
411.18326	0.2
429.19449	3.6
429.24820	0.3
430.19949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	0.6
59.01379	100.0
60.01723	1.5
62.43475	0.5
68.93288	0.6
69.50848	1.6
69.51270	2.7
71.01382	13.7
72.99297	1.2
81.07080	0.7
85.02972	2.7
85.34603	0.6
87.25397	0.5
89.02444	17.8
95.01385	0.8
98.20628	1.0
99.04544	1.3
101.02433	6.5
109.02960	2.2
111.04515	0.7
113.02448	5.3
114.61388	0.5
119.03506	7.1
125.06109	0.6
127.24169	0.7
131.03505	1.3
135.00943	0.6
143.03545	0.9
143.49173	0.5
146.35719	0.7
149.04523	0.8
153.01932	4.7
161.13329	3.8
179.05646	2.8
194.82300	0.6
205.12309	9.7
205.14070	0.8
249.11316	14.2
249.13710	1.0
250.11655	1.2
429.17902	2.1
430.18265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10399	0.6
57.03429	0.6
58.36816	0.5
59.01110	0.7
59.01378	8.2
66.61629	0.5
67.01867	0.8
71.01364	5.8
72.99298	0.6
73.02925	2.0
81.03455	0.8
83.01394	0.7
85.02950	4.6
87.00860	1.9
87.04513	0.9
89.02448	2.8
93.03440	3.1
95.01365	1.6
98.20649	1.5
99.00853	0.8
101.02430	3.6
105.03436	0.6
107.04996	0.6
108.02174	21.3
108.02913	1.2
109.02969	10.4
111.04485	0.8
113.02444	3.5
117.03448	1.0
117.05552	1.5
119.03497	1.2
119.04990	0.5
121.02959	1.1
122.03667	0.5
123.00880	1.5
123.04491	1.9
124.01579	0.7
125.02431	1.6
127.04022	0.7
132.02141	1.2
133.02946	31.2
134.03456	1.0
135.04521	18.8
136.04837	0.9
137.02444	0.7
140.72072	0.6
149.06036	0.6
151.00317	0.8
151.03928	0.8
152.01143	20.1
153.01949	9.9
161.02432	100.0
162.02779	5.6
163.03998	0.9
168.00650	0.8
169.01410	0.6
173.04529	1.5
174.62120	0.6
179.03490	8.4
180.03847	0.8
181.05063	0.6
191.05602	21.0
192.05907	1.4
201.87680	0.5
215.87344	0.5
228.98441	0.5
229.01115	0.6
229.72668	0.5
243.06682	1.2
287.60916	0.5
315.07193	30.3
316.07614	1.9
352.55835	0.6
353.08676	4.6
353.59045	2.2
354.08820	0.7
429.14172	61.6
429.59613	1.1
430.14606	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76970	1.0
59.01379	100.0
60.01721	1.5
69.46256	6.4
69.46664	2.4
71.01379	28.7
72.99305	2.0
85.02502	1.1
85.02924	5.2
87.00850	2.2
89.02440	40.9
95.01421	1.6
98.20618	1.7
99.04494	3.2
101.02461	16.1
113.02441	11.1
119.03497	15.8
131.03485	1.6
137.18156	0.9
143.03474	2.2
153.01961	2.8
161.04546	1.9
161.13382	9.2
178.40446	1.1
179.05608	4.3
181.92584	1.1
187.11290	1.7
205.12321	29.7
206.12622	1.7
249.11313	36.5
250.11745	2.6
365.74298	1.1
429.17639	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	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.3
60.84110	1.3
69.03435	1.4
69.54623	5.4
69.55047	4.0
71.01383	7.9
73.57246	1.4
79.43051	1.3
81.03447	2.7
82.58673	1.4
85.02951	5.4
87.04495	1.6
89.02451	2.9
93.03489	2.2
94.32810	1.7
95.01395	2.4
101.02423	4.8
108.02172	55.1
109.02955	49.2
110.03260	2.0
113.02432	6.8
119.03541	1.5
121.02936	1.8
123.00845	1.9
123.04541	2.3
125.02346	1.8
133.02946	10.2
134.03714	2.2
135.04521	17.6
151.03970	2.2
152.01149	55.3
152.02394	2.8
153.01942	46.1
154.02234	1.6
161.02434	32.9
161.03879	1.6
161.04456	2.9
162.02771	3.2
163.04051	1.5
179.03479	8.0
180.47870	1.4
191.05577	8.6
278.82336	1.3
309.11841	1.9
315.07205	100.0
316.07394	8.1
341.71252	1.4
350.82285	1.6
429.14386	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01378	3.8
61.98819	0.7
65.00339	0.2
68.99812	0.3
69.03451	2.4
69.42179	0.2
71.01385	2.5
71.54137	0.4
73.02935	0.6
79.01899	0.7
81.03459	1.7
83.01378	0.6
85.02948	3.2
87.00877	1.5
89.02419	0.7
93.03472	0.8
93.04242	0.2
95.01391	3.4
97.02955	1.2
99.00894	0.6
101.02448	1.2
106.10367	0.2
107.01377	1.3
108.02172	44.2
109.02956	43.5
110.03274	1.3
113.02448	1.3
115.07642	0.4
118.98077	0.2
119.03545	0.2
121.02939	1.2
123.00889	2.7
123.04513	0.6
125.02432	2.7
131.03470	0.3
133.02933	0.9
135.00874	1.2
135.04486	0.6
135.12712	0.2
136.01689	0.5
137.02452	0.8
139.03981	0.2
149.01453	0.2
149.02417	1.3
151.00328	1.1
151.03987	0.9
151.99861	0.4
152.01151	27.7
153.01929	100.0
154.02269	3.8
163.03999	0.9
165.01907	0.6
167.03523	0.7
173.04550	0.3
176.71025	0.2
177.01901	2.9
179.03520	0.5
185.52583	0.2
191.05624	1.1
195.02974	5.0
225.04005	0.7
237.04047	0.3
297.06052	0.4
315.07333	0.7
326.06372	1.7
327.07230	1.6
369.08087	1.5
385.07806	0.9
386.08585	0.6
397.05499	0.6
429.10385	28.9
430.10693	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	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10218	0.9
59.01377	100.0
66.82936	1.0
69.31808	1.2
71.01381	1.6
71.45113	1.6
74.57300	1.0
78.14133	0.9
88.18240	1.0
91.04015	3.2
96.95994	1.3
99.92606	1.6
116.92830	2.2
170.10237	1.1
172.98799	1.0
293.21237	11.9
294.21634	1.4
311.22238	3.7
331.18127	1.2
425.27374	1.6
427.28299	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	429.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	24.0
61.98812	4.6
66.11082	2.4
67.44955	2.6
70.56230	8.9
71.01363	4.3
74.99380	3.3
78.95892	4.9
83.01391	5.8
85.01463	6.3
87.00879	5.6
89.02493	2.7
96.96016	4.9
98.99411	3.2
101.00948	13.0
111.00901	5.4
112.98799	3.9
115.02552	3.1
117.00437	24.1
121.10869	2.5
125.00945	14.6
126.98830	8.1
130.08749	6.2
131.01985	8.7
139.02580	3.2
141.00439	20.6
143.02011	9.9
144.99957	3.6
157.03578	21.0
159.01498	14.2
165.33983	3.0
167.01994	10.8
168.99924	11.6
170.97807	4.9
182.99982	3.5
183.01474	5.5
189.28659	2.8
191.05528	4.1
193.00031	2.8
198.99461	14.4
208.76709	3.3
208.97878	10.4
211.00957	30.9
212.01250	5.3
213.01062	4.3
215.02628	4.0
217.00449	6.9
225.01016	7.0
227.00523	5.3
231.02109	8.4
241.00517	48.6
242.00620	6.6
243.02084	7.4
250.98990	22.4
254.99890	4.5
255.02179	4.6
257.03705	19.1
259.01587	10.7
267.02191	3.7
271.01596	3.4
273.03052	14.6
274.03415	4.2
281.00021	6.5
283.01559	32.3
287.01074	6.4
288.07797	4.8
293.00031	100.0
294.00308	22.1
308.99652	16.3
311.01184	4.1
323.01044	3.7
324.99045	5.9
336.99188	14.9
337.99316	4.5
339.00519	14.7
340.00827	5.3
341.01932	4.7
355.00021	7.2
369.01547	7.6
370.01718	4.6
397.00879	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69939	1.3
55.01854	1.4
59.01375	35.2
69.56013	8.5
71.01386	20.0
85.02936	3.6
87.00875	27.9
88.98781	3.4
89.02447	23.0
93.03438	2.2
95.01373	1.8
98.19963	2.3
101.02439	13.2
105.01939	2.8
108.02171	31.6
109.02985	10.6
113.02458	9.7
119.03489	10.9
133.02972	10.6
135.04521	17.2
135.31161	1.4
137.02385	2.4
144.55069	1.5
149.06056	3.4
152.01143	30.6
153.01958	10.4
154.71510	1.5
161.02434	31.7
162.02808	1.9
165.01805	1.6
169.01404	2.3
176.01117	2.5
177.05560	4.4
179.03499	13.9
191.05606	5.3
208.99103	7.3
216.40488	1.5
221.04543	6.4
251.05487	3.3
267.07227	100.0
268.07483	5.6
281.06635	4.4
315.07196	43.1
316.07513	5.3
429.10257	49.3
430.10501	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	426.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98421	1.3
55.43994	1.3
59.01394	3.1
61.98829	100.0
69.60016	7.4
71.01391	2.2
71.58820	1.3
86.95298	1.4
187.07672	1.7
191.05621	4.0
263.01605	1.3
352.49237	1.5
435.39063	1.6
445.64404	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51292	0.5
59.01366	2.1
60.99007	0.9
60.99303	13.4
68.59336	0.5
69.03438	0.8
69.41541	3.9
70.84979	0.5
71.01370	1.4
72.11996	0.5
73.81123	0.5
85.02940	1.2
88.98801	100.0
89.99129	1.3
93.03453	2.0
97.02923	0.8
98.20699	1.0
99.00869	0.6
109.02935	0.7
135.04488	1.6
147.93701	0.5
149.06052	0.6
150.70686	0.5
152.01172	0.5
161.02455	2.2
163.04030	0.8
173.04601	0.9
175.03990	1.1
191.05594	6.7
194.61717	0.5
209.02760	2.5
235.00731	0.9
237.04054	0.7
265.07245	1.2
276.09616	0.6
312.85495	0.6
337.05847	0.7
373.11508	1.5
390.74954	0.5
420.09949	0.5
427.06976	2.6
427.12598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
59.01660	0.9
61.08365	0.4
71.01376	4.3
71.53024	1.0
73.02937	0.6
78.65745	0.4
83.01433	0.4
85.02933	2.2
87.00874	0.6
89.02447	4.8
93.03464	3.2
95.01324	0.5
96.95989	0.9
97.02953	0.5
101.02441	3.1
102.47379	0.4
103.04042	0.6
105.03488	0.5
108.02165	0.8
109.02976	0.9
111.04481	0.8
113.02464	1.7
116.02679	0.4
117.03517	1.0
117.21011	0.5
119.03492	1.8
119.05012	3.7
121.02930	0.6
123.00870	0.6
123.04504	0.5
132.02193	1.0
133.02953	26.7
134.03320	1.3
135.04514	11.9
137.02451	0.9
145.02895	0.5
149.06113	1.6
152.68234	0.5
153.01886	0.6
155.03566	0.4
159.35739	0.4
161.02434	100.0
162.02759	5.8
163.04010	1.6
173.04561	1.4
174.02943	0.5
177.05550	3.0
178.02612	0.5
178.05998	0.5
179.03496	10.4
180.03893	0.6
191.05595	9.4
192.06075	0.5
203.03542	0.6
203.10786	0.9
221.04544	6.1
247.09921	0.5
251.05589	5.5
260.70471	0.4
265.09464	2.3
281.06622	10.9
282.06912	0.8
341.08734	3.1
383.89709	0.5
427.12369	35.9
428.12744	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64313	1.9
59.01379	100.0
61.98827	7.4
67.37087	2.1
69.22852	2.1
78.95898	4.5
88.28635	1.8
91.04034	2.1
92.49886	1.9
109.97475	2.3
118.89971	2.0
125.24150	2.6
293.21182	12.7
406.67755	2.1
425.26654	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	426.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
61.98829	100.0
66.72202	1.0
67.99824	1.0
69.03462	2.0
71.01376	1.6
78.95894	3.5
85.02957	1.6
86.59998	1.0
87.00877	1.2
93.03454	1.5
95.22781	1.0
112.69749	1.0
133.02992	1.4
134.04747	1.1
135.04533	6.4
137.02428	1.3
150.25107	1.0
150.87404	0.9
161.02388	3.9
167.86392	0.9
176.89795	0.9
179.03462	6.1
187.07663	1.4
191.05611	4.4
192.65408	1.0
209.11641	1.2
215.07253	0.9
245.95610	1.2
331.11957	6.5
363.14438	3.7
367.08102	1.7
426.18716	1.4
427.10434	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	426.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72768	0.8
59.01371	4.1
61.98830	100.0
65.32513	1.1
71.01354	1.0
77.76563	1.0
78.24100	0.8
78.95900	2.3
98.20674	1.6
109.02957	1.2
135.03616	0.8
135.04475	5.1
137.02460	1.4
161.02402	2.9
176.01180	1.1
179.03531	6.9
187.07600	1.5
191.05569	3.4
202.99817	1.4
208.00208	1.6
229.02994	1.2
261.07739	1.0
285.04031	1.0
331.11765	6.3
363.14435	1.8
427.17236	1.3
451.69357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13806	0.5
54.40177	0.5
59.01368	1.8
61.98814	1.5
71.01380	32.5
71.09758	1.2
72.99302	8.7
75.69013	0.5
87.00898	0.6
97.06606	1.1
99.00843	0.9
113.09718	1.1
115.00369	14.3
115.07632	1.1
125.06061	0.7
133.01424	9.3
137.02399	0.7
141.09230	1.0
153.12892	0.6
165.12836	2.6
167.14433	1.1
181.12337	2.5
183.13882	0.8
193.12299	1.2
194.68889	0.5
195.13882	1.5
209.11595	0.6
211.13374	2.8
213.14864	0.7
221.15474	0.9
240.13666	1.6
247.20595	2.4
273.18542	1.5
291.19638	24.1
292.19937	2.9
302.60077	0.6
309.20691	100.0
310.21088	12.0
319.22754	0.7
363.21927	0.7
407.20691	3.2
425.21597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.4
59.54237	0.6
61.98805	1.3
68.37942	0.6
70.31399	1.2
71.01379	26.4
72.99310	6.7
75.93922	0.6
78.95880	0.9
82.34843	0.7
84.19997	0.6
87.00884	0.6
97.50291	0.6
98.85687	0.6
99.00867	1.0
101.02457	0.7
109.06562	1.3
111.08115	1.2
115.00351	3.9
127.11284	1.2
133.01404	1.2
151.11296	0.8
153.12865	3.0
155.10782	1.2
167.10735	1.5
169.12297	0.8
177.58900	0.7
179.10808	0.8
179.14302	1.2
181.12366	2.5
197.11775	2.0
199.13463	1.1
207.14035	0.7
215.12926	0.9
216.70950	0.6
228.13637	0.6
247.20630	3.3
263.20248	0.6
273.18506	1.4
281.21286	1.2
291.19641	22.7
292.19992	2.6
307.19095	1.3
309.20691	100.0
310.21051	12.0
319.22806	1.3
407.20557	1.9
425.30453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08142	0.6
55.01875	1.0
58.00595	0.9
59.01376	16.3
59.01656	1.3
59.25066	0.7
61.98820	1.4
69.42262	5.1
71.01377	14.6
72.99316	1.9
73.02969	1.1
78.95929	0.9
83.01381	1.3
85.02944	1.1
87.00857	0.9
89.02431	4.4
93.03440	1.8
99.00872	1.0
101.02435	4.1
103.05540	2.4
106.88557	0.6
113.02445	1.2
115.03998	0.8
115.05516	5.0
116.92865	1.8
117.82645	0.7
119.03504	1.0
119.05023	1.5
123.06470	0.6
125.02435	0.8
131.05025	13.2
133.05109	1.6
133.06572	5.0
134.03748	0.7
135.04507	7.0
137.02446	2.4
141.01154	0.7
143.05002	2.0
145.06557	4.2
147.04515	77.7
148.04878	3.6
161.02505	3.4
161.06070	100.0
162.06418	6.0
173.06087	1.8
179.03500	1.4
187.07672	1.0
189.05568	33.3
190.05925	2.6
191.05612	1.7
219.06602	2.1
232.87883	0.7
243.06581	1.5
247.88690	0.7
249.07678	2.2
303.73859	0.9
323.07669	1.9
425.14462	45.5
426.14618	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	425.1457
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
51.85277	0.3
53.64503	0.3
55.01877	0.5
57.03454	0.3
59.01379	3.2
67.01894	0.3
69.90073	0.3
71.01379	3.1
71.05019	0.3
71.53408	0.3
71.53772	0.4
73.02942	1.0
75.36651	0.3
78.95892	1.5
80.08349	0.3
81.03456	0.3
81.81139	0.3
83.01381	0.5
83.05021	0.4
85.02951	2.1
87.00833	0.7
89.02431	0.7
93.03453	0.9
99.00888	0.4
101.02438	2.0
101.06087	1.0
105.03447	0.8
109.02909	1.4
113.02435	0.9
117.03458	1.1
119.04993	2.2
126.97408	0.3
132.02208	1.6
132.03040	0.3
133.02956	35.6
134.03345	1.3
134.04721	0.6
135.04532	8.2
136.04887	0.3
137.02429	0.8
161.02437	100.0
162.02773	5.8
163.03996	2.0
173.04581	0.9
177.01895	0.4
179.03497	4.3
180.94893	0.3
189.63351	0.3
190.46492	0.3
191.05615	3.4
205.11093	0.3
212.08612	0.3
222.10341	0.3
265.10501	0.4
281.06442	0.4
338.25818	0.3
353.08838	0.3
425.14517	60.6
426.14893	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	425.1451
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
54.06406	0.4
59.01377	6.3
67.68758	0.4
70.44754	0.4
71.01376	2.8
78.90871	0.4
78.95898	1.7
83.01383	0.5
83.13257	0.5
85.02930	1.0
89.02450	1.8
93.03456	2.1
95.01402	0.5
98.20677	1.1
101.02445	1.9
106.04238	1.9
107.05040	0.9
109.02934	1.2
109.63128	0.4
111.00874	1.1
113.02450	1.1
119.03458	1.3
119.05008	1.1
121.02959	3.8
133.02951	21.9
134.03745	28.8
135.04523	39.4
136.04831	1.8
137.02440	25.4
137.03532	0.8
137.05948	0.5
138.02763	1.1
139.04004	7.6
145.02986	0.6
149.02415	1.1
150.03252	2.4
152.66844	0.5
154.07092	0.4
161.01128	0.9
161.02428	14.1
162.02766	0.8
163.03987	1.2
165.01932	0.5
173.04646	0.6
177.01857	0.5
177.44969	0.4
178.02707	8.5
179.03482	31.6
180.03824	1.3
181.05144	0.6
182.21320	0.5
185.05974	0.5
191.05580	1.9
201.09245	3.4
245.08162	2.9
247.09756	2.3
263.09229	0.5
294.40524	0.5
356.36343	0.4
381.15436	1.0
425.14484	100.0
426.09009	0.8
426.14813	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	423.3268
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.88678	1.4
53.88930	1.4
58.00605	9.5
59.01386	1.9
71.01363	3.1
71.39854	1.2
71.53481	1.3
73.28721	1.3
79.67676	1.6
82.74011	1.4
88.98814	1.3
96.76929	1.2
97.06583	18.7
97.64886	1.1
175.19229	1.2
381.28052	5.0
387.30655	14.9
388.30887	1.8
389.28662	3.1
405.31613	4.9
406.28699	72.1
407.29175	12.5
421.31143	20.1
422.31479	3.3
423.32712	100.0
424.33029	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	425.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.8
61.98820	3.5
69.05513	0.9
71.52867	2.0
78.95905	5.0
79.70132	1.1
96.96009	1.7
96.96978	5.0
98.97391	2.3
99.92583	87.7
100.28375	1.1
100.92587	3.2
100.93350	6.0
101.93451	1.3
101.94125	1.1
115.92074	91.2
116.92149	5.1
116.92857	100.0
117.92881	6.0
119.37218	1.1
130.79639	1.0
201.33049	1.1
207.10428	1.3
220.99091	1.6
230.99702	1.3
248.98439	1.2
289.18002	2.0
292.04193	1.4
320.03470	3.0
321.04178	1.9
338.04535	1.7
355.06750	1.2
357.07895	2.1
359.09351	2.3
371.09460	2.7
377.10846	1.2
385.07190	2.3
389.10593	36.2
390.10876	5.9
403.08554	8.0
404.08716	2.3
407.11795	5.3
421.09598	3.0
425.12704	16.9
425.27243	1.1
426.12988	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	425.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27209	0.4
52.49850	0.4
55.01865	0.9
58.00601	0.8
59.01380	16.2
61.71225	0.4
61.98822	1.3
71.01380	17.5
72.99307	1.3
73.02938	0.6
83.01370	1.1
85.02953	1.1
87.00865	0.7
89.02422	3.4
93.92339	0.4
98.20652	1.6
99.00876	1.2
101.02437	4.0
103.05524	3.1
113.02415	1.5
115.04010	0.9
115.05530	4.9
119.03490	0.5
119.05017	1.1
119.67483	0.5
120.32099	0.5
125.02424	0.6
129.07079	0.5
130.04250	0.6
131.05032	11.8
132.05408	0.5
133.05074	2.2
133.06589	6.4
134.06900	0.6
135.04530	0.8
143.05038	1.3
145.06590	4.9
147.04515	79.6
148.04866	4.2
161.06075	100.0
162.06381	5.3
173.06113	2.0
179.03502	1.1
189.05562	32.6
190.05904	1.4
191.05550	0.7
191.07233	0.5
219.06667	1.2
222.42184	0.5
243.06641	0.6
249.07664	2.0
280.60300	0.5
297.63254	0.4
308.86072	0.5
425.14505	59.8
426.14844	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	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74995	1.1
59.01377	20.9
61.98818	2.9
68.62963	1.0
71.01380	18.9
71.05004	1.1
71.54337	1.2
72.99306	2.0
78.95889	1.7
79.95721	1.5
83.01384	2.4
85.02953	2.3
89.02438	5.2
96.96030	1.2
99.00892	1.8
101.02426	5.5
103.05531	2.5
109.50541	1.0
113.02485	2.5
115.03988	1.8
115.05517	4.4
115.92004	1.6
116.92819	1.2
119.05015	1.8
128.49922	0.9
131.05025	10.7
133.05066	1.8
133.06602	6.0
135.04535	1.3
137.02397	1.2
143.05040	1.2
145.02931	1.3
145.06631	5.3
147.04515	87.9
148.04843	4.6
156.12244	1.0
158.92532	1.4
161.06071	100.0
162.06430	6.8
173.06039	1.5
189.05568	35.6
190.05945	1.5
191.05626	3.1
209.98975	1.0
219.06607	1.6
243.06363	1.1
249.07675	2.2
367.66980	1.2
417.13184	1.1
425.14490	53.3
425.87094	1.0
426.14810	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	423.1662
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
55.01879	0.6
56.51828	0.2
57.01598	0.2
57.03437	0.4
58.84651	0.3
59.01382	2.6
61.98833	0.3
70.85586	0.3
71.01383	3.4
73.02934	1.7
83.01390	0.9
85.02944	2.1
89.02452	0.4
89.37700	0.3
93.03465	0.3
95.01397	0.4
96.96014	0.6
97.02945	0.4
99.00871	0.4
101.02441	3.3
105.03468	0.4
109.15373	0.3
113.02435	1.3
115.62129	0.2
117.03471	1.0
118.72049	0.2
121.21259	0.3
131.03539	0.3
132.02156	1.2
133.02956	27.9
134.03343	0.9
135.04526	6.4
136.04868	0.3
137.02461	0.6
143.59166	0.2
145.02946	0.5
147.31703	0.3
159.02957	0.3
161.02444	100.0
162.01530	0.5
162.02782	4.7
178.02763	0.3
179.03535	2.3
180.03821	0.3
187.04697	0.3
188.19702	0.3
191.05632	0.8
254.45836	0.3
260.00754	0.3
291.18115	1.3
314.94772	0.3
319.90817	0.3
423.16599	68.3
424.16965	9.3
424.21533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	35.8
61.91795	19.1
65.09502	15.2
68.24651	17.3
69.38624	65.7
69.39043	60.2
69.56118	14.9
69.56512	16.3
71.01379	29.3
120.99640	66.9
135.04492	20.1
161.02455	24.4
191.05548	100.0
193.34828	18.2
214.74388	17.4
285.12619	23.6
348.00122	19.1
423.17905	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13919	0.5
59.01356	1.7
60.41507	0.6
75.00891	0.6
78.95900	52.3
79.95773	0.6
87.29099	0.5
88.64685	0.7
92.41396	0.6
93.03467	1.2
96.96958	100.0
97.93133	2.7
113.47665	0.6
113.92620	2.3
114.93430	2.8
117.78186	0.6
181.41612	0.6
191.05614	2.6
205.18582	0.6
209.11815	0.8
229.92766	0.7
242.90649	0.6
275.65350	0.6
307.19241	1.2
325.20316	0.7
363.14682	0.7
387.11261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
63.83802	0.2
71.05022	0.5
80.02679	1.3
81.03455	1.3
83.05025	6.1
84.02150	1.3
93.03415	0.4
95.05029	0.9
97.06568	0.3
98.20728	0.5
100.33479	0.2
109.06622	0.5
124.49147	0.3
125.06066	0.6
135.08147	0.8
147.11797	0.3
163.11281	4.9
164.11638	0.4
165.12842	3.2
166.13213	0.3
181.12337	0.8
183.13873	2.4
191.10780	1.0
195.13893	9.0
196.14198	0.4
197.91109	0.3
209.11816	100.0
210.12163	8.1
213.14957	17.1
214.15309	0.8
227.12878	11.5
228.13203	0.7
369.27521	0.3
405.26419	1.9
406.26706	0.3
423.27496	4.4
424.27951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02420	0.8
59.01378	8.6
69.73551	1.8
69.73966	3.2
71.01382	4.6
71.91056	0.7
72.99297	1.9
75.00860	1.1
77.32204	0.7
79.95737	9.2
80.91648	0.8
80.96493	1.2
85.02936	1.8
87.00890	0.8
89.02434	5.1
90.96776	0.7
93.03454	2.2
95.56724	0.7
96.95972	1.6
98.04556	0.7
101.02427	1.9
107.04897	0.7
113.02427	1.3
113.35644	0.7
119.05021	91.6
120.05354	4.5
120.06094	0.8
133.82704	0.8
135.04526	13.6
163.03998	35.7
164.04291	1.7
181.05043	15.3
191.05606	2.5
199.00690	33.0
200.00932	1.0
215.00174	19.6
216.00490	1.0
242.99690	5.0
259.01413	0.8
261.00717	11.0
279.06177	0.8
343.10260	4.9
423.05963	100.0
424.06339	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	423.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01373	4.4
61.01006	2.3
69.03485	0.8
69.76398	4.3
71.01370	5.8
72.99291	1.2
74.14342	0.8
74.99390	1.2
75.00843	1.2
78.95896	6.7
79.95718	2.1
80.91676	18.7
83.01370	1.4
85.01015	1.3
85.01481	0.7
85.02932	4.9
87.00873	2.0
89.02449	1.2
93.03458	14.7
96.96961	9.7
99.00861	1.3
101.00928	1.9
101.02441	1.3
102.98854	1.4
109.02959	1.9
111.00832	1.8
111.04511	3.4
112.98812	5.0
113.02449	1.3
115.00340	1.1
119.05024	20.4
125.00900	1.2
127.04017	1.4
129.01984	0.9
135.04498	3.5
137.02431	4.1
141.00412	2.4
142.99861	1.7
143.03490	1.7
143.99171	1.4
145.01416	5.7
146.25421	0.9
153.00421	2.1
153.01868	1.2
155.03537	1.7
155.05196	2.1
163.04022	7.4
173.04544	11.1
176.24333	0.8
181.04980	4.0
183.01447	1.6
191.05608	65.3
192.05934	3.7
195.01466	5.6
199.00699	9.2
199.04166	17.1
201.02519	0.9
205.03520	0.8
215.00189	3.9
216.00369	1.0
216.05524	1.5
217.05235	100.0
218.05605	4.5
231.02968	0.9
242.99709	1.2
243.03581	18.3
244.03787	1.6
259.06396	3.1
261.00739	2.6
287.05795	3.0
303.05487	3.1
319.08539	2.2
345.06482	2.1
347.07962	1.3
363.07724	4.1
379.10516	1.4
391.07007	1.0
405.08481	3.7
423.09988	68.7
424.04987	1.1
424.10675	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1661
Annotation	[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
Peak:m/z	Relative Intensity
54.77460	0.3
59.01377	23.4
63.49745	0.3
68.76050	0.3
70.68260	1.0
71.01383	4.2
72.99286	0.3
73.02941	0.7
78.95910	3.4
83.01357	0.6
85.02950	1.3
89.02444	2.5
95.01403	0.4
96.96029	0.5
96.96951	0.9
101.02458	2.8
105.03481	0.6
113.02460	1.4
117.03473	1.1
119.03534	0.7
122.63283	0.3
127.86382	0.3
132.02190	1.8
133.02960	37.1
134.03349	1.3
135.04530	7.9
137.02455	0.7
153.55864	0.3
161.02438	100.0
162.02792	4.9
163.04112	0.3
177.05754	0.3
179.03522	3.6
180.03810	0.4
189.31929	0.3
191.05676	0.7
199.36542	0.3
263.06772	0.3
363.23862	2.7
423.16568	60.3
424.16925	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	421.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
58.02982	2.1
59.01387	8.1
59.84599	1.6
70.02969	9.8
71.01406	2.8
71.05013	12.9
72.54221	1.9
73.02950	2.4
81.75252	1.5
85.02942	4.0
87.05638	7.0
89.02443	2.1
93.03458	3.5
99.04520	5.8
116.07149	3.0
119.76982	1.9
125.02406	2.1
130.03316	8.2
134.41803	1.5
146.08231	78.4
147.05997	1.8
147.08568	3.0
167.07114	2.7
191.05594	20.3
213.38942	1.6
217.11964	20.6
241.10825	5.8
277.12259	100.0
278.12439	6.2
358.50668	1.8
364.26245	1.7
421.16833	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33661	0.3
59.01365	1.4
60.99291	0.6
69.03445	1.1
69.40577	2.8
71.01389	0.4
73.28370	0.4
78.95921	0.6
81.03463	2.3
93.72224	0.4
96.96024	0.4
97.80750	0.3
98.20680	0.7
99.04514	2.3
108.02154	0.4
115.11024	0.4
117.05550	0.5
125.02460	0.7
152.99559	0.4
159.24243	0.3
163.97903	0.4
215.81494	0.4
233.22658	0.6
259.20670	0.6
277.21701	100.0
278.22055	11.2
295.06476	0.4
299.24158	0.4
303.23239	4.4
317.24780	0.7
341.24875	1.0
359.25568	0.4
406.08795	0.4
421.26019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26984	0.4
59.01375	4.2
61.35801	0.4
61.98823	0.9
71.99029	0.4
78.95885	0.9
85.02936	0.6
93.03444	0.6
96.95985	0.8
96.96967	0.5
101.81608	0.4
104.89136	0.4
131.55571	0.4
132.97720	0.5
167.58087	0.4
189.36305	0.4
191.05559	2.1
191.15729	0.4
193.05934	0.5
241.98444	0.4
245.99731	0.4
254.99417	0.6
257.00858	1.3
269.98035	10.0
270.98334	0.5
280.74515	0.4
285.00378	11.0
286.00604	1.0
297.97519	37.6
298.97845	3.8
312.99875	64.7
314.00177	7.1
328.02216	67.2
329.02557	8.1
343.04544	100.0
344.04883	11.2
363.23944	0.9
423.00204	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	421.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.7
59.01380	9.0
61.98820	2.1
65.36441	0.5
67.01876	1.8
69.03429	0.6
71.01375	4.0
71.53690	0.9
73.02910	1.1
77.97253	0.6
78.95897	3.8
81.03452	2.4
83.01397	0.6
84.83832	0.5
85.02949	8.5
87.00871	3.7
93.03455	10.4
95.01386	2.3
96.95987	1.3
96.96957	1.0
99.00866	0.7
99.04524	0.9
101.02439	1.4
105.03447	0.7
107.01406	1.6
107.05084	0.6
109.02956	2.0
111.00869	0.9
111.04498	2.6
117.14757	0.5
118.86758	0.5
121.02942	1.5
123.00872	1.8
124.01650	0.9
125.02449	5.4
127.03989	1.9
133.02980	0.9
134.03748	3.4
135.04521	7.3
137.02428	3.3
149.99579	40.8
151.00369	7.4
160.01672	1.0
161.02457	1.1
165.01952	0.9
169.04536	0.5
173.04507	3.8
178.02751	3.2
179.03444	2.4
191.05598	100.0
192.05943	3.8
193.01434	0.7
193.05077	1.1
229.08746	1.2
247.09804	1.3
308.08920	0.8
313.05634	55.2
314.05939	5.1
413.05939	0.7
421.15149	2.0
421.24368	8.1
422.24432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.5
58.00595	2.1
58.82539	1.5
59.01379	100.0
65.00332	2.9
67.01886	3.8
69.03455	19.9
69.99489	5.4
71.01382	45.8
72.01707	1.4
72.99317	3.8
73.02947	4.2
79.01849	1.5
83.01381	1.8
85.02956	10.4
87.00861	3.4
89.02444	48.7
93.03466	2.6
95.01382	18.2
95.05013	6.4
96.96022	1.4
97.02954	19.9
98.19994	1.6
101.02439	23.3
111.00879	1.9
112.20918	1.3
113.02443	19.0
119.03505	16.6
119.04995	2.3
121.02956	19.2
121.06530	6.5
123.04519	5.6
127.04012	97.6
128.04378	2.9
131.03520	1.3
137.06049	2.2
139.00363	16.1
139.03970	3.1
139.07608	2.8
141.01883	1.8
141.82782	1.3
143.03488	3.2
147.04547	1.6
149.04564	2.0
153.05559	4.5
159.03008	1.6
161.04550	4.3
165.01917	12.9
165.05568	11.7
167.03484	4.4
171.02969	6.3
171.06616	19.5
179.05585	10.9
183.06654	5.5
191.05650	7.0
192.79930	1.5
197.08159	2.0
198.36206	1.2
209.04550	6.3
227.05579	3.0
241.07184	2.2
258.09451	1.3
259.08170	4.1
267.61719	1.4
345.11877	2.8
361.18741	1.9
389.10995	8.1
421.13422	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	419.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72546	1.2
57.03424	1.0
59.01373	2.8
59.13762	0.9
60.08410	1.0
71.53693	1.2
72.52563	1.1
72.99301	5.8
97.06602	6.4
100.19565	1.0
103.00710	1.0
119.24448	1.1
122.33865	1.0
122.46086	1.0
125.06084	45.9
126.06411	2.0
143.07137	72.0
144.07472	3.0
161.02419	1.3
179.10831	1.3
195.13914	7.0
196.14438	1.2
223.13382	6.6
275.20135	4.9
293.21210	100.0
294.21579	11.3
299.56531	1.1
317.58578	1.2
419.27997	7.0
420.28784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19904	0.6
54.35199	0.7
59.01376	12.1
60.01708	1.4
61.01792	1.0
61.98828	100.0
71.01390	2.9
73.28189	0.6
81.03472	1.8
85.02956	1.6
87.00854	0.9
89.02456	2.4
93.03484	1.8
98.20674	1.7
101.02438	1.3
108.02166	10.5
109.02943	3.8
124.11588	0.6
125.02460	2.1
126.02816	1.0
127.02955	0.8
135.04510	1.0
152.01178	6.1
153.01921	4.7
173.04561	1.0
191.05597	9.2
195.06662	1.1
201.05409	1.2
241.07191	0.7
242.07820	0.9
295.52628	0.8
420.09659	8.3
420.16043	3.4
421.10464	1.2
421.16455	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44803	1.5
50.93811	1.4
55.01868	6.6
58.00577	3.4
59.01379	100.0
60.01719	2.2
60.52852	1.7
61.98812	5.2
69.03458	1.9
69.80445	7.0
71.01381	64.5
72.99312	4.6
73.02940	4.6
83.01380	3.0
83.05043	1.8
85.02953	17.2
87.00855	4.8
89.02445	82.5
93.03429	3.4
95.01387	5.2
95.05003	5.7
99.00883	1.8
99.04498	1.9
101.02448	36.6
108.03908	1.7
113.02454	26.8
117.12411	1.8
119.03501	31.2
120.99624	1.7
131.03474	2.5
137.02457	1.8
143.03453	3.3
149.04546	3.0
161.04550	3.4
163.11281	26.8
177.05605	1.9
179.05583	6.1
191.05603	31.1
207.10284	10.1
225.11337	10.2
239.10468	1.9
239.12875	37.5
310.19879	1.6
312.61560	1.9
419.22644	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98822	2.2
62.56119	0.7
66.26956	0.7
71.01371	3.6
85.02930	1.9
89.02438	3.3
97.06576	1.3
101.02437	1.9
113.02470	1.2
119.03474	1.6
125.02483	1.5
136.22623	0.8
153.11687	1.4
153.12854	18.8
154.13231	1.4
169.29410	0.8
170.08406	0.8
179.10806	6.2
191.05612	9.9
197.11844	37.4
198.12138	2.9
211.10493	0.9
326.16226	0.9
359.10690	1.5
419.22748	2.1
419.29630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.7
59.01377	100.0
60.01682	1.1
60.99317	0.9
61.98825	2.1
67.01870	1.5
69.03469	1.2
69.21744	9.2
71.01389	8.0
71.85616	0.8
72.56834	0.9
72.99299	1.0
74.98210	0.9
82.99174	0.9
85.02946	3.9
87.00861	3.9
89.02438	10.3
91.11202	1.0
93.03452	13.3
95.01339	0.9
97.06580	2.8
98.19864	1.9
101.02438	3.4
109.02957	1.5
109.06519	1.2
111.04505	2.6
113.02438	3.7
119.03485	3.8
125.02414	1.0
132.46188	0.9
137.02368	1.3
153.12831	18.0
154.13184	1.6
173.04552	6.9
179.03587	1.1
179.05585	2.8
179.10791	6.9
184.13861	0.9
191.05585	21.4
197.11818	33.1
198.12173	3.0
201.09227	2.1
201.14954	1.4
224.58960	0.9
227.07193	1.0
245.08214	1.5
385.58658	1.0
419.13431	6.9
419.22256	4.4
419.30072	17.4
420.30493	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	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	17.5
61.98826	4.6
65.00288	1.2
67.01902	1.5
67.76681	1.0
71.01379	7.4
71.10890	1.0
71.54362	2.1
72.99290	1.1
82.50350	1.1
83.01378	2.3
83.42915	1.0
85.02958	4.7
89.02439	4.4
93.03455	3.1
95.01427	1.7
99.40992	1.3
101.02448	3.7
102.10020	1.1
107.05028	2.5
108.02152	1.9
109.02953	3.6
111.00934	1.3
113.02457	2.0
119.03515	1.4
120.99644	1.6
121.02965	5.0
121.06555	1.3
123.00896	4.0
123.04507	1.1
124.01650	5.7
125.02439	4.0
127.00347	2.7
133.02896	1.8
133.06602	1.5
135.04477	1.5
136.98805	1.9
137.02446	10.4
138.03226	3.7
139.00365	11.0
139.04005	5.4
149.02443	5.3
149.06184	1.2
151.00359	23.4
151.03993	6.2
152.01149	7.9
153.01889	2.6
153.05542	2.7
154.02719	1.9
159.04501	3.1
161.02435	3.4
161.04674	1.4
161.06070	5.0
162.03221	4.2
163.00368	1.5
163.04070	1.9
164.04750	6.3
165.01932	2.4
165.05573	3.4
166.02705	70.0
167.03426	7.6
173.04517	1.3
174.03310	1.7
175.04047	3.0
176.04765	9.2
177.01958	8.9
177.05550	8.9
178.02711	7.7
178.06194	1.3
179.03496	10.8
179.07111	1.9
180.04260	6.3
181.05063	100.0
182.05389	4.7
183.13866	1.8
189.05548	11.3
190.06218	1.5
191.03664	2.5
191.05582	14.3
191.07172	10.0
192.04326	5.6
192.07832	4.9
193.05013	14.5
193.08594	1.2
194.05678	5.1
195.06645	7.9
203.03450	1.1
204.04268	2.2
204.07976	2.6
205.05046	1.7
205.08488	1.3
206.05811	2.6
206.09573	1.5
207.06563	8.5
208.00044	1.7
209.08171	1.9
213.09180	4.2
219.06656	2.1
221.00928	4.0
221.08209	2.3
245.08125	2.0
247.02493	2.0
255.10419	1.3
257.08002	2.7
283.06161	1.7
299.09198	2.7
311.05386	2.7
312.05368	1.5
326.07928	2.6
331.11838	3.7
341.10327	6.9
343.07986	1.5
356.12732	4.3
357.13452	2.0
359.11359	5.8
371.15100	9.8
372.15335	2.2
374.13638	6.6
375.10587	2.1
389.16022	76.8
390.16333	8.5
401.08896	1.3
401.16116	3.0
404.14774	4.6
419.12567	1.8
419.17151	15.1
419.22775	10.9
419.30057	2.3
420.17554	3.1
420.22812	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	419.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13832	1.1
55.01881	1.4
57.03453	1.2
58.00571	3.6
59.01379	92.3
60.01689	1.2
65.59786	1.0
67.01862	2.0
69.03453	100.0
69.51862	7.4
70.03787	3.1
71.01378	46.9
72.99293	2.4
79.01881	2.4
83.01398	2.2
85.02946	13.3
87.00868	3.4
89.02441	55.3
93.03443	1.9
95.01369	4.3
97.02930	1.2
101.01791	1.8
101.02437	23.4
102.02737	1.0
111.04530	5.0
113.02445	17.4
119.03497	20.3
119.05009	1.3
120.69100	1.3
121.02957	5.9
121.06515	1.2
131.03534	1.5
131.05003	2.0
143.07150	11.1
149.04495	2.6
155.03416	1.8
160.74522	1.0
161.04494	2.7
169.08693	7.7
179.05557	4.0
187.06107	12.1
191.05708	5.2
195.10243	8.5
213.09502	1.7
213.11320	17.6
214.11548	1.7
236.46031	1.1
239.09213	21.7
240.09489	1.8
241.07317	3.4
242.07410	1.3
249.93225	1.4
371.14908	1.3
419.15527	22.0
420.15677	3.2
422.88605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
51.02412	0.4
59.01379	10.0
61.98833	1.5
69.34782	0.9
69.35201	1.6
70.35541	0.4
71.01391	1.7
73.02942	0.4
81.03456	1.1
85.02944	1.3
89.02429	0.7
93.03453	1.3
95.01394	0.6
98.20668	0.6
101.02431	0.9
107.04977	0.4
108.02171	100.0
109.03009	13.9
110.03284	0.6
121.02956	4.5
123.00874	0.3
123.04535	0.8
125.02424	0.6
125.99584	0.4
127.00404	0.7
131.18736	0.3
133.02971	1.0
135.00948	0.3
135.04489	0.6
151.04027	3.0
152.01149	53.3
153.01939	17.5
154.02277	0.7
161.02478	0.4
163.03995	2.0
165.01958	0.9
178.02531	0.3
178.37076	0.3
179.03526	1.0
183.43398	0.3
185.05989	0.5
191.05597	2.4
194.05682	0.3
257.08121	0.5
297.06219	0.6
299.08890	0.3
309.99109	0.3
359.20697	0.8
418.22217	0.4
419.09802	55.8
420.10181	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	419.1348
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03437	0.6
59.01377	6.4
61.98824	2.7
69.67525	0.5
71.01384	5.6
71.53390	0.6
72.36399	0.6
73.02927	1.6
83.01347	1.1
85.02936	3.3
87.00863	0.6
89.02439	2.4
93.03458	5.9
95.01385	0.6
101.02451	3.5
106.04244	12.2
107.05035	27.5
108.02173	3.8
108.05325	0.7
109.02944	1.6
113.02453	2.3
119.03503	1.0
119.05015	2.3
121.02964	3.4
121.09338	0.5
125.39200	0.5
131.04932	0.5
137.02425	2.1
138.03174	1.2
150.03258	0.9
151.00378	0.6
151.03967	0.7
161.02391	1.0
165.01883	1.3
171.08151	1.0
178.02852	0.6
179.03461	0.9
182.02135	0.8
191.05600	6.9
193.49202	0.5
195.08093	0.6
208.00137	1.1
209.00839	2.6
211.07611	11.5
212.08034	1.3
213.09195	73.5
214.09523	6.1
234.66826	0.5
247.97084	0.5
257.08127	8.7
258.08502	0.9
299.09351	0.9
343.08099	0.5
357.13419	0.8
375.10837	0.8
419.13449	100.0
420.13828	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.0
57.03453	5.5
58.00595	3.7
59.01377	71.7
60.01719	0.8
61.18119	0.5
61.61788	0.5
69.03445	0.9
69.44685	2.7
70.59367	0.4
71.01379	100.0
72.01727	1.8
72.99311	3.6
73.02944	22.8
73.03362	1.1
75.00887	1.4
81.03483	0.7
83.01386	9.4
84.02187	0.8
85.02952	37.4
87.00887	4.0
87.04520	1.6
89.02442	38.8
89.72973	0.5
90.02755	0.6
95.01385	8.2
97.02956	1.4
98.20632	1.0
99.00887	9.9
101.02440	66.3
102.02790	1.7
112.01730	0.6
113.02446	40.3
114.02797	1.3
119.03500	14.2
125.02450	1.7
129.01917	0.8
131.03496	1.4
143.03506	5.7
149.04588	1.3
159.03000	9.2
161.04556	45.3
162.04909	0.7
165.68660	0.6
167.10704	0.7
174.52959	0.5
179.05626	4.1
205.03601	0.8
255.19643	2.7
268.73639	0.6
417.25085	34.5
418.25284	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	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56128	0.5
55.01880	7.0
57.03445	5.2
58.00603	2.8
59.01378	59.0
60.01719	0.9
69.03476	1.9
69.44254	1.1
69.44654	3.6
71.01381	100.0
72.01721	2.0
72.99313	3.5
73.02944	28.5
74.03280	0.8
75.00877	2.1
79.51666	0.6
81.03458	0.9
83.01383	10.7
84.02176	1.4
85.02947	46.3
86.03295	1.1
87.00865	4.4
87.04524	2.0
89.02444	27.8
90.02785	1.1
90.87656	0.6
93.03456	0.9
95.01382	7.4
97.02959	2.6
99.00880	11.4
99.04529	0.9
101.02439	62.4
102.02793	2.4
104.53991	0.6
111.00876	1.3
113.02448	41.9
114.02776	1.3
119.03490	11.7
125.02452	1.8
129.01942	1.9
131.03513	1.8
133.03004	0.7
135.04459	0.7
143.03499	6.4
159.02975	8.8
161.02457	1.3
161.04550	48.0
162.04903	1.7
179.05664	2.0
181.05232	0.6
190.71478	0.6
191.05656	2.5
205.03545	0.7
214.58824	0.6
239.80928	0.6
255.19679	2.1
341.06796	1.6
359.56219	0.6
400.07809	1.3
417.08148	0.9
417.15622	1.2
417.25113	30.5
418.25616	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60257	0.6
55.01873	5.8
57.03448	5.9
58.00583	1.8
59.01378	57.9
60.01696	1.1
69.03454	1.4
69.31187	4.4
69.31589	1.1
71.01380	100.0
72.01711	1.3
72.99308	3.6
73.02944	27.9
75.00874	1.4
81.03458	0.6
83.01382	9.7
85.02947	43.8
86.03279	1.1
87.00878	4.6
87.04501	1.7
87.57519	0.6
89.02445	29.9
93.03486	0.9
95.01385	7.1
97.02956	2.0
99.00876	12.0
101.02439	63.0
102.02776	1.4
111.00886	1.9
113.02444	39.8
114.02773	0.8
119.03499	12.5
120.03826	0.7
120.27354	0.7
125.02443	2.8
129.01944	1.9
131.03516	1.7
143.03470	4.7
159.03006	9.0
161.04549	41.3
162.04869	2.0
173.04695	0.7
179.05614	2.2
191.05666	2.2
192.06047	0.7
205.03625	0.8
226.20045	0.7
237.14859	1.5
255.19704	1.7
264.76431	0.6
341.06873	0.9
343.62451	0.7
373.08795	0.7
417.07907	1.7
417.25043	28.7
418.25531	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	417.213
Annotation	Maryal
Peak:m/z	Relative Intensity
53.64347	0.7
55.01860	1.3
57.03440	1.1
58.00575	1.2
59.01378	87.9
60.01715	1.1
66.58959	0.8
69.03474	1.0
71.01379	30.7
71.54022	1.0
72.01678	0.9
72.99301	3.1
73.02934	4.7
76.42324	0.7
77.20912	0.7
78.95879	0.9
81.03426	1.2
82.35287	0.8
83.01382	3.5
85.00085	0.8
85.02518	1.1
85.02959	9.7
87.00851	1.9
89.02439	20.0
93.03461	1.8
95.01395	3.7
97.06626	0.9
99.00870	2.8
101.02434	17.2
102.02754	0.8
109.02920	1.3
111.08111	0.9
112.37704	0.7
113.02462	11.4
119.03507	8.2
125.02420	2.8
128.56720	0.7
135.04535	2.3
135.70360	0.7
137.02426	2.1
143.03494	1.2
161.02391	1.3
161.04539	5.2
166.02603	1.1
173.04477	1.4
179.03542	1.1
179.05507	0.9
181.05037	1.9
191.05640	6.0
192.05952	1.4
211.07613	1.4
234.74754	0.9
237.14984	4.8
238.15227	0.9
246.30330	0.8
255.02824	0.7
255.16010	5.3
256.16058	1.1
271.02441	1.0
282.70566	1.0
313.06949	1.1
323.05487	1.0
331.17517	1.0
341.06540	3.0
357.19165	1.3
373.09189	1.1
399.20184	1.4
400.07971	1.5
417.21194	100.0
418.21478	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	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34743	0.7
58.99599	0.8
59.01374	8.2
61.98813	0.8
69.80676	0.6
71.01031	0.8
71.01382	5.1
73.02934	1.4
85.02952	2.5
87.00842	1.0
89.02450	3.1
93.03462	2.1
95.01398	1.1
101.02434	2.6
102.98624	1.7
107.01385	0.9
107.05011	0.7
109.02941	1.3
113.02447	2.0
119.03529	0.9
123.00912	1.0
125.02458	1.8
135.04427	0.7
137.02446	2.9
144.93604	0.7
149.06070	2.2
151.00359	5.4
152.01149	1.0
161.02391	1.1
161.04524	0.8
163.00299	0.9
166.02721	6.7
167.03456	1.3
171.62793	0.6
173.04576	1.4
177.01956	0.9
181.05058	9.7
183.04582	0.9
185.06023	0.9
187.03932	0.8
191.05592	6.8
192.05931	1.1
211.03990	1.9
227.03487	74.8
228.03883	5.9
229.05089	1.2
255.02979	94.2
255.10216	2.8
256.03510	15.2
257.04358	1.9
284.03247	79.5
285.03922	29.5
286.04364	2.3
326.15317	0.8
327.05136	0.8
343.39752	0.7
359.11414	0.8
387.10818	4.9
402.13202	3.3
403.13535	1.1
417.08237	100.0
417.15195	6.5
417.20901	3.3
418.08624	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	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.48139	0.5
59.01378	9.5
61.98823	1.1
65.00340	0.7
69.51171	4.3
71.01380	4.7
73.02953	0.7
83.01382	0.9
85.02948	2.7
87.00873	1.0
89.02451	3.6
93.03450	2.2
96.95977	0.9
98.19898	1.2
101.02433	3.5
102.98586	2.1
106.67834	0.6
107.01373	1.1
109.02933	1.6
110.73579	0.6
113.02443	2.6
119.03477	1.3
125.02438	1.8
135.04533	1.3
137.02444	3.1
139.07651	0.9
149.06055	2.1
151.00348	4.6
152.01172	0.7
153.01924	0.8
161.02498	1.3
161.04553	1.1
163.00360	0.7
166.02704	6.8
167.03220	0.7
173.04585	1.0
179.03522	0.8
179.05548	1.0
181.05061	9.9
183.04533	1.5
187.03967	0.8
191.05620	7.1
192.05954	1.6
211.04037	1.9
227.03490	80.0
228.03839	7.6
229.05127	1.5
237.14975	0.8
253.03909	1.1
255.02985	100.0
255.10258	2.2
256.03531	14.8
257.04428	1.7
284.03256	86.8
285.03952	32.0
286.04315	2.4
296.85410	0.7
313.03601	0.9
327.05118	0.8
329.10223	0.9
341.03101	0.7
359.04312	0.7
359.11377	0.9
387.10828	4.5
402.13080	4.3
417.08252	97.3
417.15176	4.9
417.20840	2.1
418.08569	13.5
439.05542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07293	0.8
53.96272	0.8
55.01869	1.9
57.03439	2.4
58.00591	3.6
59.01378	100.0
60.01704	1.5
61.98822	2.3
65.44964	0.7
69.03455	0.9
71.01380	76.1
71.53374	0.8
71.53774	1.0
72.01717	1.5
72.99308	5.0
73.02948	7.9
75.00874	1.1
75.83508	0.8
83.01404	4.3
85.02950	21.3
85.03462	1.2
87.00887	4.4
88.87737	0.7
89.02444	69.8
93.03469	2.2
95.01404	4.8
99.00860	3.2
99.04539	1.2
101.02439	45.5
102.02792	0.8
105.15135	0.8
109.02983	1.1
113.02447	28.7
114.02800	1.0
119.02663	1.8
119.03498	30.5
125.02438	2.6
131.03490	3.4
133.01453	0.8
135.04543	1.6
137.02423	1.0
143.03467	3.9
147.00867	2.3
149.04565	2.1
159.02925	2.5
159.04135	0.8
161.04547	12.5
161.58363	0.8
163.00313	1.6
165.01849	1.3
175.00385	1.9
176.01097	1.3
177.01923	1.2
178.06175	0.8
179.05565	5.2
189.01894	1.1
190.99942	0.8
191.05611	14.8
193.08755	0.9
202.99911	2.4
213.01959	1.0
222.83507	0.9
235.13365	2.7
243.02950	1.2
253.18123	1.5
271.02591	1.9
272.03238	1.2
298.01297	2.5
299.02100	1.4
311.05737	1.1
328.05356	0.9
339.05017	1.6
343.39865	0.9
345.19223	1.9
355.04623	1.9
357.02756	0.9
365.02991	0.8
371.07693	3.2
415.06595	9.5
415.18353	1.0
415.23715	10.0
416.06610	1.8
416.23868	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	415.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68494	1.9
54.18150	1.8
59.01384	14.9
61.98822	4.6
70.94792	2.2
71.53928	3.0
73.98316	10.5
87.00872	16.5
103.02208	6.6
120.99664	14.3
183.13911	2.7
191.05618	16.0
208.45863	2.2
223.17056	5.3
275.20172	67.2
276.20435	7.9
293.21320	12.2
294.21335	2.8
309.18924	29.3
310.19223	4.4
327.19983	51.9
328.20300	6.1
353.08923	2.6
358.27835	2.2
415.21512	100.0
416.21835	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61523	0.9
59.01369	3.7
71.01363	1.5
71.09468	1.9
73.25340	1.0
74.99094	6.3
77.00664	82.2
79.02801	0.8
80.02912	0.8
85.02945	0.9
89.02464	1.5
101.02456	1.5
111.76833	0.8
113.02576	1.1
122.74309	0.8
131.35318	0.9
141.51279	0.9
147.08159	1.9
149.09753	1.4
160.00403	1.2
161.09712	1.0
163.11288	2.8
178.07770	0.9
187.11288	2.6
191.05579	2.3
279.13818	1.0
280.14462	1.3
309.22131	2.3
337.21716	100.0
338.22025	14.8
400.45636	0.9
415.14087	1.6
415.23013	11.0
416.23450	1.9
423.29260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03444	3.4
58.00588	4.1
59.01377	100.0
60.01709	1.2
65.22375	0.5
69.03465	0.6
70.80754	0.9
70.81110	1.0
71.01380	62.1
72.01750	1.2
72.99306	4.3
73.02945	3.6
81.03465	0.6
83.01398	2.8
85.02953	11.8
86.03231	0.5
87.00874	2.8
89.02442	82.5
90.02762	1.1
95.01374	4.3
99.00889	0.8
101.02439	32.5
102.02804	0.9
113.02444	24.0
119.03501	31.8
123.08163	0.5
125.02434	1.3
131.03494	3.8
143.03522	3.9
147.00833	0.7
149.04576	2.9
149.05551	0.5
149.99585	1.0
161.04558	4.3
168.00612	0.9
179.05618	6.2
191.05544	2.1
202.99739	2.3
219.79724	0.5
245.00684	0.5
246.98755	4.3
371.07556	0.6
397.76373	0.6
403.91354	0.5
415.06818	6.6
415.12265	1.4
415.23383	3.2
416.06982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98168	1.7
55.01875	2.7
58.00599	3.9
59.01377	68.0
67.59357	1.8
69.03452	100.0
70.03795	2.0
71.01381	48.4
72.99326	2.9
73.02950	8.1
83.01375	6.8
85.02940	18.2
87.00899	2.9
89.02439	40.7
93.03463	2.0
95.01356	3.9
95.05019	44.2
99.00885	2.5
101.02429	31.4
101.06310	1.9
108.02160	17.6
108.46008	1.9
109.02945	14.2
113.02440	20.2
117.05563	4.0
119.03507	20.5
121.06591	13.5
129.07082	2.3
135.04488	1.8
139.04012	5.9
143.03476	4.5
147.08148	14.4
152.01161	20.1
153.01933	8.7
161.04533	13.3
165.09213	32.0
166.09547	1.9
172.10678	2.2
179.05592	4.9
191.05553	5.7
191.07123	31.1
196.65363	1.9
269.10278	19.2
270.10742	2.6
282.74344	2.2
327.00168	1.7
339.45831	1.9
371.13419	39.8
372.13693	5.3
409.20667	2.0
415.12164	23.7
416.12595	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03433	1.6
58.00585	1.1
59.01379	32.8
61.98814	1.5
62.83609	0.7
67.01896	0.7
69.03452	5.1
69.39040	4.8
71.01379	32.9
72.99286	2.2
73.02946	6.0
79.01897	1.3
81.03448	2.0
83.01376	5.3
85.02949	11.1
87.00874	2.3
89.02438	17.6
93.03470	1.3
95.01389	5.2
97.02949	5.0
99.00875	2.6
99.04521	1.0
99.77784	0.6
101.02440	23.3
101.06092	3.7
107.01385	2.9
108.02175	0.8
111.00938	0.7
113.02446	13.2
119.03520	5.5
120.99610	0.6
121.02930	0.8
123.00896	7.9
124.01669	23.3
125.02454	69.7
126.02773	2.3
133.03015	0.7
135.04529	1.4
137.02429	2.1
143.03465	1.8
149.99590	37.4
151.00356	3.9
151.04053	0.7
152.70570	0.6
159.02957	2.0
161.02417	1.4
161.04544	11.0
162.71376	0.6
165.01833	0.8
168.00644	64.1
169.01329	5.9
171.96577	0.7
173.04498	0.8
173.13399	0.7
179.03508	0.9
179.05626	1.2
191.03947	1.1
191.05591	10.0
191.14401	0.7
202.99840	1.2
235.13358	2.5
246.98799	2.6
253.18135	1.7
313.05948	0.9
371.07605	1.2
397.11530	3.3
415.12411	100.0
415.23593	18.4
416.07443	0.8
416.12723	14.1
416.23877	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
57.03453	1.0
59.01377	25.7
61.98817	1.6
68.34924	0.6
69.03452	5.0
71.01379	23.1
71.53541	1.0
72.99316	1.5
73.02939	4.2
73.60725	0.7
75.00866	0.6
79.01881	1.0
80.18450	0.6
81.03438	1.2
83.01381	5.6
85.02951	8.8
86.98602	0.6
87.00880	1.8
87.31460	0.6
89.02438	12.7
93.03431	1.0
95.01382	3.6
97.02949	4.3
99.00872	1.7
99.04507	1.4
101.02435	17.0
101.06087	4.1
102.02717	0.7
107.01380	2.4
109.02914	1.1
113.02448	9.6
119.03488	5.2
119.04951	0.6
120.94722	0.7
121.02882	1.1
123.00874	7.6
124.01664	20.8
125.02445	66.1
126.02758	2.1
131.03517	1.0
135.04533	0.9
137.02431	2.5
143.03503	1.1
149.99583	37.2
151.00356	3.9
151.03973	0.9
159.03047	1.0
159.06577	0.6
161.02461	0.9
161.04549	9.1
168.00633	69.0
169.01335	5.5
179.03430	0.8
179.05544	0.8
191.05591	7.6
202.99869	0.6
213.14883	0.6
235.13496	3.1
235.16646	0.6
253.18100	2.2
259.99637	0.7
354.74380	0.6
371.07651	1.1
397.11389	4.2
415.12411	100.0
415.23709	11.9
416.12701	12.5
416.23663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80229	1.2
55.01870	3.1
57.03447	2.7
58.00581	3.2
59.01377	100.0
59.63038	1.5
61.16966	1.4
61.98823	2.9
69.03455	3.2
70.12473	6.0
71.01377	73.6
72.01692	1.4
72.99300	6.2
73.02936	8.4
75.00854	2.3
81.03483	1.8
81.38875	1.3
83.01382	6.5
85.02948	17.4
87.00866	12.8
89.02440	83.6
95.01378	3.5
97.02942	7.8
99.00874	4.7
101.02439	63.0
108.20943	1.3
113.02448	28.6
119.03490	27.2
125.02451	12.9
131.03474	5.1
143.03513	9.8
149.04564	3.5
151.04012	1.5
161.04546	12.4
168.28784	1.4
174.56706	1.2
179.05583	24.3
189.37727	1.5
191.05653	5.4
205.45250	1.4
221.06609	4.4
235.08223	12.0
238.07385	1.6
253.09305	7.1
263.07715	4.5
287.07755	1.4
305.08752	2.7
323.09982	1.4
415.14517	88.6
416.14786	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	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
69.03455	1.6
69.20553	0.6
69.20954	3.6
71.01385	1.4
75.79915	0.4
76.35005	0.5
77.48875	0.4
79.01907	0.6
81.03468	0.9
83.01388	0.4
85.02966	0.5
89.02436	0.6
89.16033	0.4
91.60478	0.4
91.78596	0.4
95.01382	0.7
96.95941	0.4
97.02953	1.6
101.02436	0.7
101.06069	2.2
107.01408	0.6
111.00855	0.5
123.00899	1.8
124.01657	4.2
125.02444	78.1
126.02747	2.5
133.02930	0.4
135.04489	0.4
139.00351	0.9
139.79501	0.4
161.02458	0.8
161.04501	0.5
162.02774	0.4
166.99818	0.8
168.00632	10.4
169.01413	100.0
170.01772	4.5
191.05646	2.4
211.02454	1.1
223.32451	0.4
225.71455	0.4
242.02191	0.4
243.58562	0.4
301.07141	0.6
313.05786	1.9
371.07721	1.9
371.67569	0.5
415.07062	3.6
415.12384	56.2
416.07632	0.7
416.12793	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.20940	26.7
163.73233	2.6
184.75330	2.6
186.45682	2.5
386.97763	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65136	2.1
59.01377	100.0
69.48964	1.9
70.26649	7.3
73.12480	2.2
109.57569	2.0
122.47388	2.0
204.83878	1.9
230.74548	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15537	0.7
52.62004	0.6
59.01374	6.8
61.98832	1.1
67.01859	0.7
69.56435	3.4
71.01369	3.7
73.02906	0.7
83.01402	0.7
85.02961	1.7
87.00888	0.8
89.02473	1.7
90.40269	0.6
93.03456	4.2
96.95982	1.0
98.20625	1.4
101.02435	1.8
105.47747	0.7
109.02943	2.0
111.04527	0.8
113.02474	1.5
125.02431	1.2
135.04521	1.4
137.02440	2.8
139.03986	0.7
145.24174	0.8
151.00291	2.0
153.01915	1.5
157.62248	0.7
161.02484	1.8
161.04575	1.0
173.04549	1.8
183.04492	1.2
189.01868	1.1
190.99959	0.7
191.05592	9.9
211.03975	0.9
214.02576	1.6
215.03642	0.9
217.01448	1.4
227.03465	10.5
227.07062	1.0
228.04068	1.6
229.01460	1.2
229.04965	1.8
230.02182	1.7
230.99345	2.0
232.00052	2.6
233.00696	0.9
240.04247	1.6
241.05095	2.8
243.02887	1.3
243.06693	1.5
245.00891	9.9
245.04424	0.8
246.01494	1.5
253.01454	1.0
253.68166	0.7
254.02104	1.1
255.02992	4.5
255.06654	4.8
256.03683	3.6
256.07193	1.1
257.00974	1.4
257.04559	2.4
258.01678	1.0
267.03204	0.8
268.03561	1.0
269.00970	4.1
269.04459	5.0
270.01358	0.7
270.05243	1.5
271.02448	4.8
271.05951	1.1
272.03091	1.5
273.04111	1.0
281.04300	0.7
281.08075	1.0
282.01480	0.9
283.02502	2.5
283.06119	7.5
284.03339	0.8
284.06796	4.6
285.00388	7.9
285.03644	1.1
285.07095	1.0
286.00647	1.0
295.02438	2.1
296.03058	1.0
297.03967	1.8
297.07782	1.9
297.11731	0.8
299.01929	6.6
299.05652	2.6
299.08868	3.7
300.02722	1.1
300.06259	1.0
301.03552	7.8
302.03723	1.4
309.07690	1.5
310.04803	0.9
313.03452	2.1
315.08499	1.2
325.07138	1.9
327.05057	4.1
327.08759	6.5
328.05579	1.5
328.09140	0.8
343.08209	2.4
353.02954	2.0
353.06793	3.2
371.02890	1.6
371.07681	34.0
372.07974	4.3
397.05695	5.1
415.06686	100.0
416.06998	13.1
416.63181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01381	4.1
70.77103	0.4
71.01377	3.8
71.53366	0.5
72.99286	0.5
73.02949	1.1
78.95895	0.9
83.01404	0.7
85.02962	2.5
89.02454	1.3
93.03448	4.4
99.98138	0.4
101.02417	2.8
105.03473	0.7
105.04209	0.4
113.02477	1.6
117.03510	1.0
125.02472	0.6
132.02205	1.3
133.02962	34.6
134.03331	1.3
135.04524	5.8
137.02458	9.3
138.02866	0.6
147.58121	0.5
152.99599	0.9
155.01669	0.4
161.02444	100.0
162.02759	5.4
176.63239	0.4
179.03532	2.5
180.03777	0.4
191.05586	1.4
202.37227	0.4
250.08574	0.5
251.09280	0.6
251.43489	0.4
269.00714	0.5
280.82791	0.5
369.06131	0.6
395.94104	0.5
413.05328	1.4
413.14484	56.0
414.14807	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	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
68.53987	0.3
71.01385	3.8
71.66769	0.3
73.02940	1.2
83.01378	0.7
85.02966	2.6
87.00876	0.6
89.02431	0.8
93.03442	1.1
95.01403	0.4
98.82977	0.4
99.00875	0.8
101.02442	3.2
105.03461	0.6
109.02953	0.6
113.02444	1.4
117.03461	1.1
119.05064	0.4
120.99718	0.4
121.03001	0.5
132.02179	1.0
133.02957	30.2
134.03255	1.1
135.04510	6.3
136.04843	0.4
137.02422	1.2
145.02954	0.9
161.02437	100.0
162.02766	6.4
163.04155	0.6
169.01390	0.6
179.03510	3.4
180.04082	0.4
191.05632	2.1
246.67711	0.4
306.44009	0.4
325.07483	0.5
413.14520	59.8
414.14761	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98824	0.4
65.03958	0.5
67.86084	0.1
69.03439	0.2
69.28212	0.1
71.01381	2.1
71.53928	0.3
71.54337	0.2
72.99308	0.1
73.02953	0.8
73.31634	0.1
73.94404	0.1
79.13594	0.1
81.03471	0.1
83.01394	0.5
85.02959	0.5
85.47535	0.1
86.93954	0.1
87.00874	0.4
89.02438	1.7
93.03456	58.5
94.03785	1.6
97.02956	0.4
99.00903	0.8
101.02449	1.3
107.05042	0.5
113.02431	0.4
115.04021	0.2
121.02948	1.7
123.04523	0.2
125.02448	1.5
131.03459	0.2
133.02965	0.4
135.04550	0.8
137.02446	100.0
138.02786	4.0
143.03505	0.2
147.04529	0.4
149.02449	0.6
149.04526	0.4
151.00267	0.2
151.04015	4.2
158.16620	0.1
161.02402	0.7
163.04034	0.5
179.03514	3.2
180.03888	0.2
191.03560	0.8
191.05336	0.7
193.05013	0.2
204.04221	0.1
206.26929	0.1
217.05042	0.2
221.04524	0.3
227.03604	0.2
245.04527	0.4
246.98906	0.2
259.99774	0.2
260.07974	0.1
269.00803	0.2
275.07916	0.2
281.03589	0.3
281.06650	5.5
282.07001	0.6
325.07193	0.4
341.07150	0.1
369.06277	0.4
390.50864	0.1
413.05276	1.2
413.10825	11.8
414.11163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67906	0.4
57.50412	0.4
59.01377	7.5
59.70441	0.4
61.98830	2.4
70.28754	0.6
70.29109	1.6
71.01375	1.6
71.08050	0.4
73.02946	0.6
73.27993	0.5
83.01411	0.7
83.28051	0.6
85.02963	0.9
89.02434	1.4
93.03452	0.6
95.01367	0.5
95.79624	0.4
101.02427	1.4
111.00848	0.5
112.17651	0.4
113.02453	0.8
117.03511	0.5
119.03527	0.9
123.00877	0.9
133.02957	0.9
145.03040	0.6
147.00883	0.5
161.02426	1.8
163.00363	1.5
164.01126	1.2
165.99060	0.5
170.03746	0.9
171.11281	0.5
173.02379	0.6
176.01115	0.7
177.01883	0.9
183.04524	0.5
184.05260	1.3
185.02344	0.4
189.01875	2.1
191.05524	0.5
192.14917	0.5
195.04390	0.6
196.05336	1.1
197.09708	0.7
198.03239	0.8
201.01880	1.1
202.87524	0.5
202.99840	1.5
206.99364	0.6
208.00217	0.5
210.06807	0.6
211.03957	1.7
212.04669	1.1
213.01991	0.7
213.09186	3.6
214.02762	0.7
214.62750	0.5
216.00496	0.6
217.01372	1.1
217.98619	2.6
223.04018	1.3
223.07603	0.5
224.04749	1.9
225.01723	0.5
225.05457	0.6
225.09207	1.4
226.02734	0.8
227.03488	0.8
229.01332	1.7
230.02010	0.5
232.00166	0.6
237.05576	0.7
238.06351	0.8
239.03476	1.6
240.04190	2.9
241.08714	2.1
242.02184	1.9
242.99698	0.6
243.99889	0.5
245.00867	5.9
245.98019	2.3
246.01279	0.5
246.98781	1.9
251.03476	1.9
252.04276	1.3
253.01364	0.5
253.05093	0.5
253.08658	1.6
254.02206	1.0
255.02939	1.4
256.03821	1.0
259.99622	2.7
265.04977	1.6
266.05798	1.1
267.02945	7.8
268.03714	10.4
269.00897	2.7
269.03821	0.8
269.08026	2.3
270.01480	1.0
273.00354	0.8
273.97461	1.9
279.03244	0.5
279.06500	0.7
280.07169	0.6
281.04553	2.0
281.08096	2.1
282.01706	1.4
282.05295	2.2
283.02316	0.7
283.05576	0.5
283.99567	2.7
285.00034	0.8
288.99741	0.7
295.02457	19.7
295.99747	0.7
296.02994	3.4
296.06369	1.0
297.00482	5.7
297.07645	28.5
298.01108	1.9
298.08133	2.2
309.00302	0.6
309.03607	0.5
311.01913	1.5
313.07162	0.8
323.05527	1.5
325.07166	10.7
326.07462	1.5
339.05142	1.7
341.06766	4.5
342.06689	0.5
367.04260	0.5
369.06113	14.8
370.06378	1.9
371.20490	2.6
413.05115	100.0
413.21362	2.9
414.05423	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
176.66324	2.9
218.44980	2.6
309.20764	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	413.0511
Annotation	Kynapcin 24
Peak:m/z	Relative Intensity
52.67906	0.4
57.50412	0.4
59.01377	7.5
59.70441	0.4
61.98830	2.4
70.28754	0.6
70.29109	1.6
71.01375	1.6
71.08050	0.4
73.02946	0.6
73.27993	0.5
83.01411	0.7
83.28051	0.6
85.02963	0.9
89.02434	1.4
93.03452	0.6
95.01367	0.5
95.79624	0.4
101.02427	1.4
111.00848	0.5
112.17651	0.4
113.02453	0.8
117.03511	0.5
119.03527	0.9
123.00877	0.9
133.02957	0.9
145.03040	0.6
147.00883	0.5
161.02426	1.8
163.00363	1.5
164.01126	1.2
165.99060	0.5
170.03746	0.9
171.11281	0.5
173.02379	0.6
176.01115	0.7
177.01883	0.9
183.04524	0.5
184.05260	1.3
185.02344	0.4
189.01875	2.1
191.05524	0.5
192.14917	0.5
195.04390	0.6
196.05336	1.1
197.09708	0.7
198.03239	0.8
201.01880	1.1
202.87524	0.5
202.99840	1.5
206.99364	0.6
208.00217	0.5
210.06807	0.6
211.03957	1.7
212.04669	1.1
213.01991	0.7
213.09186	3.6
214.02762	0.7
214.62750	0.5
216.00496	0.6
217.01372	1.1
217.98619	2.6
223.04018	1.3
223.07603	0.5
224.04749	1.9
225.01723	0.5
225.05457	0.6
225.09207	1.4
226.02734	0.8
227.03488	0.8
229.01332	1.7
230.02010	0.5
232.00166	0.6
237.05576	0.7
238.06351	0.8
239.03476	1.6
240.04190	2.9
241.08714	2.1
242.02184	1.9
242.99698	0.6
243.99889	0.5
245.00867	5.9
245.98019	2.3
246.01279	0.5
246.98781	1.9
251.03476	1.9
252.04276	1.3
253.01364	0.5
253.05093	0.5
253.08658	1.6
254.02206	1.0
255.02939	1.4
256.03821	1.0
259.99622	2.7
265.04977	1.6
266.05798	1.1
267.02945	7.8
268.03714	10.4
269.00897	2.7
269.03821	0.8
269.08026	2.3
270.01480	1.0
273.00354	0.8
273.97461	1.9
279.03244	0.5
279.06500	0.7
280.07169	0.6
281.04553	2.0
281.08096	2.1
282.01706	1.4
282.05295	2.2
283.02316	0.7
283.05576	0.5
283.99567	2.7
285.00034	0.8
288.99741	0.7
295.02457	19.7
295.99747	0.7
296.02994	3.4
296.06369	1.0
297.00482	5.7
297.07645	28.5
298.01108	1.9
298.08133	2.2
309.00302	0.6
309.03607	0.5
311.01913	1.5
313.07162	0.8
323.05527	1.5
325.07166	10.7
326.07462	1.5
339.05142	1.7
341.06766	4.5
342.06689	0.5
367.04260	0.5
369.06113	14.8
370.06378	1.9
371.20490	2.6
413.05115	100.0
413.21362	2.9
414.05423	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	411.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29173	19.2
66.99186	23.9
67.40889	25.2
69.48766	23.9
69.91216	100.0
76.30519	21.1
84.76058	20.6
85.50727	21.8
87.64235	19.9
98.20549	25.8
137.22244	27.8
176.46141	20.9
187.75700	24.7
191.05582	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85857	2.1
59.01377	100.0
64.13039	2.0
64.45590	2.1
65.26668	2.0
70.64740	3.5
70.65079	3.2
97.94437	1.9
98.89357	2.2
102.92008	2.3
126.28513	2.0
298.76437	2.4
311.04968	2.2
322.39374	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	409.2357
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
69.79593	1.5
69.80004	1.1
72.37711	0.5
74.81331	0.5
78.95900	70.7
87.16345	0.6
96.96960	5.0
150.98058	1.7
152.99583	100.0
153.99957	1.9
157.09863	0.5
171.00658	2.4
255.23274	1.6
335.77112	0.5
409.23578	10.9
410.24136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0233
Annotation	Turgorin
Peak:m/z	Relative Intensity
51.65269	0.4
59.01376	0.8
63.27918	0.4
69.91736	2.1
71.01374	2.8
73.02962	0.4
79.95721	3.3
80.96509	3.0
85.02956	1.5
87.00874	1.4
87.69939	0.4
89.02375	0.5
93.03451	0.5
95.95255	0.6
96.96005	100.0
97.02911	0.8
97.95971	0.5
101.02441	1.6
108.47780	0.4
113.02417	0.8
125.01524	0.8
125.02439	16.2
138.97070	8.7
140.80855	0.4
150.97050	1.2
164.98659	1.3
168.00687	0.7
168.98264	1.0
169.01411	24.4
170.01704	1.2
180.98122	0.7
191.05623	1.6
193.10378	0.4
213.86389	0.5
222.99078	2.1
241.00223	63.1
242.00566	2.2
244.08188	0.4
274.53787	0.4
331.06635	3.0
333.17337	0.5
411.02356	41.1
412.02649	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	411.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	73.3
61.98830	54.3
67.52775	9.5
71.01379	41.4
75.05518	8.9
78.37347	12.2
85.02956	17.3
89.02451	19.1
96.96030	16.1
101.02444	35.1
119.03479	11.3
120.09085	11.2
120.47797	9.8
133.02927	32.5
135.04491	15.6
161.02432	100.0
161.13380	14.1
187.11197	10.5
191.05550	30.6
205.12300	42.1
249.11227	85.8
331.11633	13.2
375.20142	73.3
376.20200	14.0
411.16431	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1502
Annotation	Butyl chlorogenate
Peak:m/z	Relative Intensity
55.01885	0.4
59.01375	8.3
61.98828	1.0
65.69116	0.3
67.01901	0.5
68.94256	0.3
69.03466	0.9
70.54714	1.0
71.01386	4.4
72.99309	0.5
73.02943	1.3
75.00854	0.5
81.03452	0.3
83.01378	0.8
85.02946	2.8
87.00880	1.3
89.02436	1.2
93.03442	3.0
95.01397	0.8
96.96005	0.5
97.02975	0.4
99.00867	0.8
101.02444	2.2
105.03456	0.5
109.02985	0.4
109.19959	0.3
111.04524	0.7
113.02474	1.1
117.03448	1.1
119.03538	0.4
127.04007	0.4
132.02173	1.8
133.02956	37.0
134.03479	1.3
135.04527	9.1
136.04834	0.6
137.02458	1.1
143.10785	0.5
147.04570	0.5
160.57861	0.5
161.02434	100.0
162.02783	5.2
173.04495	1.9
177.01849	0.4
179.03497	5.0
191.05620	11.3
192.05969	0.4
203.10782	0.5
213.28119	0.4
214.76561	0.3
293.04691	0.5
349.22470	0.4
361.87106	0.4
400.10895	0.7
409.15005	62.8
410.15353	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	409.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
59.01375	8.3
61.98828	1.0
65.69116	0.3
67.01901	0.5
68.94256	0.3
69.03466	0.9
70.54714	1.0
71.01386	4.4
72.99309	0.5
73.02943	1.3
75.00854	0.5
81.03452	0.3
83.01378	0.8
85.02946	2.8
87.00880	1.3
89.02436	1.2
93.03442	3.0
95.01397	0.8
96.96005	0.5
97.02975	0.4
99.00867	0.8
101.02444	2.2
105.03456	0.5
109.02985	0.4
109.19959	0.3
111.04524	0.7
113.02474	1.1
117.03448	1.1
119.03538	0.4
127.04007	0.4
132.02173	1.8
133.02956	37.0
134.03479	1.3
135.04527	9.1
136.04834	0.6
137.02458	1.1
143.10785	0.5
147.04570	0.5
160.57861	0.5
161.02434	100.0
162.02783	5.2
173.04495	1.9
177.01849	0.4
179.03497	5.0
191.05620	11.3
192.05969	0.4
203.10782	0.5
213.28119	0.4
214.76561	0.3
293.04691	0.5
349.22470	0.4
361.87106	0.4
400.10895	0.7
409.15005	62.8
410.15353	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	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60532	0.6
59.01378	100.0
60.01715	1.0
71.01382	11.8
71.52380	1.2
72.99316	2.3
73.02950	2.0
83.01392	0.8
85.02950	4.0
89.02442	9.2
93.03464	1.9
96.96007	22.2
96.96984	2.0
97.02968	1.2
99.00895	1.2
101.02431	6.9
113.02461	5.2
119.03509	3.4
125.02477	0.7
135.04536	1.7
143.03535	1.7
147.03206	0.7
149.02477	0.9
149.06108	1.0
150.03273	0.9
159.02989	0.9
161.04562	9.5
161.05917	1.1
165.05597	1.4
165.43391	0.7
173.04584	0.9
175.46538	0.6
179.05647	2.4
189.05609	4.8
191.05586	6.5
218.04556	1.0
236.05685	1.8
349.18695	15.1
350.19113	1.2
373.11435	3.1
393.17709	1.6
410.11209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08464	2.2
57.06910	2.4
58.00591	3.4
59.01378	84.0
60.80256	2.5
66.96832	2.3
67.01871	2.5
69.03455	49.7
69.85517	4.4
69.85918	7.1
71.01376	41.4
72.99321	3.3
82.84429	2.4
83.37959	2.1
85.02957	7.2
87.00877	3.8
89.02444	49.1
89.87519	2.4
93.03454	11.4
97.02950	69.5
101.02443	26.9
113.02455	20.0
119.03503	17.2
123.04515	12.1
147.27716	2.5
149.06078	29.8
161.04549	2.7
167.07120	10.3
175.65871	2.4
179.05612	8.5
191.05606	6.8
193.05040	51.6
273.31769	2.6
295.10367	4.5
299.47751	3.3
349.18454	3.2
365.35413	2.4
373.11349	100.0
374.11685	11.5
407.23605	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16181	0.6
55.01880	0.9
57.03465	0.6
59.01379	100.0
60.01728	1.3
71.00947	1.0
71.01382	11.2
72.99316	0.8
73.02953	3.4
74.48590	0.7
78.95905	5.7
83.01390	1.1
85.02950	5.1
89.02446	4.6
99.00907	1.5
101.02448	8.4
113.02457	4.3
119.03523	2.2
135.04536	2.0
143.03531	1.3
152.99571	7.1
159.03043	1.2
161.04539	10.7
171.00681	2.4
179.03539	1.1
191.05647	0.9
195.06613	0.8
209.41405	0.6
210.69366	0.6
227.09247	3.5
245.04312	12.5
347.17099	17.3
348.17221	0.8
407.01236	0.9
407.06784	1.0
407.19501	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2203
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01361	1.2
64.53991	0.5
77.46729	0.4
78.59865	0.5
78.95903	100.0
82.88181	0.5
96.96966	9.6
150.98007	1.3
152.99582	86.6
153.99974	1.2
154.41943	0.5
171.00638	63.5
172.00952	1.5
200.27505	0.5
211.13354	1.0
263.05298	0.4
270.97906	0.5
338.85645	0.5
350.58005	0.5
407.21915	2.2
409.43463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01365	1.2
61.98817	0.4
62.90572	0.3
69.83989	0.3
71.01369	0.6
73.02928	0.5
78.95909	1.1
79.95734	30.9
80.96514	3.9
85.02943	2.5
95.95225	5.2
96.96007	100.0
97.06584	1.3
97.95896	0.7
105.72648	0.4
120.05268	0.4
120.99593	0.6
127.11291	0.6
135.04507	0.5
160.31860	0.4
164.98602	1.2
165.73524	0.4
171.10248	5.4
183.13895	1.0
191.05559	0.6
192.06042	0.4
201.11375	0.4
202.74718	0.3
209.11682	0.5
211.13358	5.5
221.11742	1.3
229.14436	8.8
229.47974	0.4
230.14711	1.0
235.06422	2.0
239.12849	1.4
291.19540	1.1
309.10004	0.8
311.99139	2.5
315.84528	0.4
327.01440	2.4
327.21762	9.7
327.25742	0.6
328.22000	1.2
407.17398	87.4
408.17731	11.4
408.22742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.9
61.98843	2.2
69.03453	30.1
69.25638	20.5
71.01363	5.1
78.95901	47.1
79.95779	2.5
80.20235	2.1
80.96529	2.2
95.05025	4.6
96.96027	3.7
96.96997	5.2
98.20667	4.7
101.02439	2.2
107.05041	2.6
107.19417	2.0
107.20154	1.8
109.33141	1.7
120.99653	3.9
133.02985	11.6
134.03749	8.5
135.04527	100.0
136.04874	4.9
147.04520	2.3
151.07637	3.5
161.02452	27.4
179.03500	93.0
180.03905	6.2
191.05591	3.7
205.22440	2.5
261.07669	19.0
261.38138	2.1
313.10901	3.2
331.11856	75.7
332.12244	9.4
401.92279	2.4
407.18500	6.6
407.25461	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	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69086	0.8
59.01367	4.1
69.03455	12.1
70.51185	2.5
70.51538	1.2
71.01384	1.5
73.02946	1.0
78.23704	0.8
78.83144	0.9
78.95908	1.6
79.95733	31.9
80.96513	4.5
85.02955	2.2
95.95238	4.4
96.96008	100.0
97.06572	1.4
99.04510	1.1
99.76924	0.9
107.05045	1.8
120.99620	4.5
129.37505	0.9
133.02953	2.9
134.03705	3.0
135.04518	39.4
136.04858	1.6
143.10950	1.0
151.07648	1.9
156.02145	1.7
160.01717	1.5
161.02420	14.3
171.10272	6.2
172.01692	1.5
179.03493	37.1
180.03836	2.5
184.01639	3.3
191.05548	1.6
193.03033	1.1
200.01175	2.6
211.13365	4.6
212.01146	2.5
213.01518	1.0
221.11899	1.1
228.00574	1.8
229.14417	8.6
235.06474	1.4
239.12985	1.5
240.00574	7.2
241.01041	1.1
245.10217	1.1
254.99631	1.3
256.00076	1.4
261.07675	6.7
283.99628	3.6
311.99081	45.2
312.99380	5.7
318.21576	1.0
327.01428	53.8
327.21616	8.5
328.01706	7.2
328.21921	1.3
331.11832	33.4
332.12302	4.1
373.67188	1.1
406.96933	2.9
407.17386	87.2
408.17752	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	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45523	1.0
59.01368	4.2
61.98818	1.4
69.03455	33.4
70.03772	1.1
70.23473	4.4
71.01360	3.1
74.87235	0.9
76.81646	1.0
78.95901	76.8
85.02958	1.1
87.00883	1.0
91.70530	0.8
93.03454	1.0
95.05017	1.8
96.96021	2.0
96.96938	3.7
101.02438	2.9
107.05016	2.1
110.22308	1.0
122.30566	1.0
133.02972	8.6
133.73639	1.0
134.03772	4.7
135.04521	100.0
136.04814	3.5
146.30441	1.1
151.07637	2.8
161.02435	31.0
162.02742	1.0
179.03496	87.0
180.03812	3.6
191.05544	2.0
258.15897	0.9
261.07629	21.5
262.07895	2.4
313.10696	2.9
331.11844	62.2
332.12173	8.7
407.18259	8.5
407.26721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23839	7.3
58.70028	8.2
59.01375	26.3
61.98830	100.0
99.92596	18.7
116.92858	35.3
117.30509	8.4
117.92944	8.8
120.00527	6.6
125.34723	6.9
165.25899	7.5
236.71054	9.1
303.24106	8.7
405.31537	11.9
407.33102	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.5
59.50972	1.5
60.17620	1.5
66.41524	1.5
71.01364	3.9
82.02974	11.3
82.69289	1.3
83.01389	1.7
85.02955	2.2
109.02979	1.9
117.37417	1.5
122.06139	1.8
125.02392	2.1
135.04521	2.8
136.04022	2.9
160.07661	2.9
164.03551	6.8
169.01418	1.7
173.04837	1.9
174.01973	1.6
180.58975	1.7
188.07196	3.8
191.05736	8.4
196.06128	1.7
200.07246	2.2
202.08621	3.8
215.04472	2.0
216.05383	7.1
216.07011	2.5
217.02438	7.5
217.06194	8.7
218.06866	3.0
229.06032	9.3
230.03339	3.5
230.06883	4.0
231.07736	13.4
232.08481	3.0
233.09201	1.9
242.03311	2.1
243.04106	18.3
243.07729	3.0
244.04793	11.7
244.09836	11.7
245.09427	5.8
248.09378	2.5
256.04907	6.9
257.05634	17.5
257.09393	3.4
258.06241	9.0
259.07220	49.4
259.10770	5.8
260.07346	3.8
269.09280	3.9
270.07129	2.2
271.07169	27.7
272.07773	3.1
285.08850	5.1
287.10349	76.4
288.08725	6.0
291.09772	10.7
297.05536	2.2
298.05783	1.9
313.08282	100.0
314.08597	10.7
319.12866	1.7
331.09302	58.1
331.13303	3.2
332.09732	5.3
335.08609	3.5
345.10782	11.1
357.07199	3.9
375.08197	21.9
376.08701	3.7
389.09946	5.8
407.10925	54.7
407.19156	3.3
408.06265	1.6
408.10733	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	406.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23419	0.3
59.01378	2.4
61.98830	2.1
62.63987	0.3
69.03439	0.3
69.13021	0.3
70.03802	0.3
71.01373	0.8
71.53857	0.3
78.95900	0.4
85.02939	0.4
87.00900	0.4
87.04502	1.7
89.02448	0.3
93.03426	0.4
97.02872	0.3
101.02435	1.0
109.02956	0.4
111.56905	0.3
113.02444	0.4
120.04552	0.4
125.02438	0.9
135.04523	1.0
136.07690	0.5
149.02435	1.0
161.02473	0.4
161.04593	0.4
179.03485	0.7
187.24338	0.3
191.05589	1.5
192.99623	0.9
206.05849	0.3
215.39674	0.3
217.08717	0.8
228.06580	2.5
229.07404	16.4
230.07834	1.5
244.09767	100.0
245.10097	8.6
254.50439	0.3
287.09650	0.3
304.09122	0.5
332.76270	0.3
363.53186	0.3
391.17383	0.6
392.33017	0.3
406.15149	1.0
406.19955	0.6
407.13196	0.4
407.26611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03409	0.4
58.00587	0.8
59.01377	31.6
60.01699	0.5
69.36378	2.3
69.36790	1.0
71.01379	17.5
72.99302	1.3
73.02940	4.1
83.01373	0.6
85.02939	3.5
87.00871	0.5
89.02440	16.8
90.02717	0.4
95.01382	0.8
95.05042	1.1
96.71050	0.3
99.04497	1.0
101.02428	7.3
103.30394	0.4
110.98522	0.4
113.02446	5.9
119.03494	7.0
131.03479	0.5
133.62790	0.4
139.11256	0.5
143.03554	0.5
161.04527	0.6
163.03979	0.5
163.11258	4.3
179.05612	1.3
181.12329	27.7
182.12694	2.1
183.10393	0.5
190.47195	0.4
191.05533	0.6
200.99745	0.5
207.10222	1.1
225.11299	100.0
226.11652	6.8
243.12315	1.2
332.65295	0.4
405.17612	28.4
406.17917	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	405.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35249	0.4
53.47181	0.3
55.01881	0.6
57.03453	0.6
59.01379	100.0
60.01730	1.1
61.98830	3.8
67.80490	0.4
69.03457	1.2
71.01379	4.8
72.99305	0.4
73.02956	1.5
78.75366	0.4
78.95902	0.6
79.95735	6.8
80.96535	2.0
83.01407	1.7
85.02940	3.2
87.00879	0.5
89.02461	0.5
95.01402	0.9
96.96014	5.5
97.02956	0.9
98.19868	0.9
99.00863	0.6
101.02451	4.0
107.01413	0.9
110.16599	0.4
113.02468	1.8
121.03013	0.5
125.02454	0.5
131.72514	0.4
151.00360	1.1
153.02002	0.5
159.03073	0.8
161.04616	1.7
162.13629	0.4
165.05588	0.4
179.03485	0.4
190.90492	0.4
199.17015	0.4
209.08337	0.5
209.11925	1.3
211.13513	0.6
229.24968	0.6
231.03194	0.5
242.05869	1.6
243.06564	0.5
298.61255	0.4
307.19269	0.8
325.20270	0.8
363.23819	4.3
364.24365	0.6
405.15433	4.7
405.19958	1.3
405.24545	0.8
406.16528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
61.98815	2.6
67.40646	0.8
70.54479	2.0
71.01368	3.6
72.02162	0.7
79.95734	45.4
80.96516	40.3
83.05022	1.6
84.02176	1.1
85.02943	1.4
93.03440	0.7
95.95206	0.7
96.96004	64.2
97.06585	0.9
97.96007	0.8
99.08138	1.0
106.55255	0.9
107.05009	0.9
109.06565	1.4
114.59431	0.8
125.06066	1.0
125.09686	2.5
127.07638	4.9
133.91531	0.7
137.02472	1.2
139.07628	1.6
143.92572	0.8
155.10738	1.3
163.11298	1.5
171.10229	1.3
176.30992	0.7
185.11813	8.5
188.82259	0.8
191.05637	1.3
191.10681	1.0
196.43770	0.7
197.11812	8.2
198.27248	0.7
207.03238	0.9
207.10176	2.0
209.11812	27.5
210.12041	0.8
211.13382	1.3
213.62946	0.9
238.11995	2.2
245.19077	1.1
254.11588	1.4
255.12169	1.0
256.13058	1.8
287.16425	0.9
289.18042	2.4
305.17581	1.7
307.19138	20.8
308.19510	2.7
325.20154	25.4
326.20569	2.6
405.15823	100.0
406.16061	13.5
406.20990	1.3
409.30319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
61.98821	4.1
69.26293	0.8
71.01381	1.9
76.85289	0.8
78.62180	0.7
79.95734	29.4
80.96511	21.4
91.01888	15.8
93.03468	2.1
95.01366	1.0
96.96009	46.5
107.05012	1.6
108.02177	19.2
109.02996	4.1
109.06583	1.0
121.02954	1.2
123.00877	5.3
124.01604	0.9
127.07638	1.8
135.00882	17.4
137.02448	7.5
137.78514	0.9
139.07631	1.0
140.99223	0.8
152.01134	17.6
161.02419	1.9
185.11865	3.1
191.05647	1.7
197.06018	1.3
197.11850	5.3
207.03377	1.8
209.11850	12.3
210.12093	1.0
211.13344	1.3
213.05478	1.1
222.67857	0.9
238.12198	1.6
243.06606	100.0
244.06914	8.0
256.13074	1.2
305.17252	1.1
307.19177	10.6
323.07544	1.5
325.20114	12.4
326.20618	1.5
339.51318	0.9
366.05435	0.9
405.15933	53.3
406.16370	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	405.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11192	2.3
55.27797	2.1
55.30481	2.4
59.01376	19.9
61.98831	8.3
66.78013	2.4
69.24546	8.6
69.24966	14.8
71.01376	5.5
85.02937	2.9
89.02452	3.2
93.03452	17.8
94.65677	2.3
96.95977	2.9
98.19910	4.3
101.02402	4.5
113.02398	3.7
121.03004	2.8
126.44267	2.4
135.04477	3.3
137.44579	2.5
150.03197	4.1
153.56339	3.0
161.04518	3.6
165.05623	4.7
169.94395	2.6
179.03531	3.3
191.05611	7.0
195.06630	3.3
199.07626	100.0
199.09477	4.8
200.07976	7.3
243.06598	36.5
315.17905	4.9
330.99585	2.6
336.44290	2.9
405.11942	67.6
405.16806	4.0
406.12064	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	405.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23750	1.7
58.20602	1.5
59.01381	14.8
61.98820	9.7
67.01905	1.8
69.63853	10.9
71.01379	10.5
72.99312	3.6
73.02960	2.9
85.02927	4.7
87.00880	5.6
89.02444	5.6
93.03439	5.5
96.95992	4.3
98.43414	1.8
101.02429	4.1
113.02400	4.2
119.03467	2.6
119.26410	2.0
119.78017	2.0
120.99693	4.0
122.06107	3.3
136.01663	3.1
137.02423	4.9
139.00269	1.7
149.02402	3.7
161.04521	2.4
164.01129	4.7
165.01920	31.8
166.02139	1.9
173.04538	3.2
174.92200	1.7
177.01932	10.3
179.03485	55.2
180.04282	33.6
181.04504	1.9
191.05602	9.4
192.04184	3.1
192.05899	2.6
194.05846	20.7
195.06606	100.0
196.06949	8.1
196.45865	1.9
225.07664	16.1
237.50511	1.8
357.11954	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	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	3.6
65.19892	1.2
66.40006	1.0
71.01382	4.8
71.52037	1.4
71.52394	1.2
78.95895	3.9
85.02923	1.5
89.02456	3.4
93.03474	1.2
101.02466	2.4
103.06328	1.1
113.02483	1.6
119.03532	1.6
120.99703	1.3
153.01945	3.6
153.96422	1.0
168.04265	4.6
183.06616	16.2
191.05626	3.2
210.48035	1.2
225.04131	1.2
243.15787	1.2
277.72351	1.1
305.32089	1.1
405.08597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.61639	0.3
59.01377	1.6
61.98830	0.5
63.04263	0.3
65.00317	0.8
65.03963	2.7
65.39681	0.3
67.01893	1.6
68.99801	0.8
71.01398	1.0
80.02679	0.7
86.79350	0.3
89.02448	0.5
91.01892	46.0
92.02241	1.8
93.03457	1.1
95.01400	0.4
102.77640	0.4
107.05009	1.6
108.02159	2.9
109.02949	28.7
109.41709	0.3
110.03259	0.9
110.13287	0.3
118.38855	0.3
121.02950	1.3
123.04542	0.5
124.01675	0.6
133.02937	1.1
135.00879	100.0
136.01181	4.5
137.02440	6.0
137.03404	0.6
147.04495	0.4
149.02428	1.3
153.01926	86.2
154.02284	4.2
161.02393	0.6
168.14311	0.3
175.03993	3.6
177.01910	3.3
183.97014	0.3
191.05659	0.4
197.06097	1.5
199.07648	0.6
225.05602	0.6
243.06598	12.8
244.06979	1.0
245.04561	0.6
248.77669	0.3
258.01697	2.3
267.06622	0.9
273.04013	2.1
288.06345	3.4
297.06134	12.6
298.06497	1.2
303.08743	5.9
304.09137	0.4
318.11206	1.0
375.14374	1.7
390.16751	3.3
405.11914	9.0
405.19202	3.9
406.12265	1.5
406.19516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74091	1.0
52.38842	0.9
59.01374	9.7
69.78510	3.1
69.78921	1.6
71.01374	3.1
73.41869	1.0
83.99158	0.8
85.02959	1.3
87.00874	1.2
89.02445	2.2
93.03464	3.7
101.02444	2.5
105.24554	0.9
108.02172	1.0
119.03451	1.1
121.02962	2.6
122.03741	3.2
122.06122	1.6
123.04513	1.7
137.02437	3.0
149.02431	7.7
150.03236	12.7
150.05618	1.7
161.04530	1.0
162.05673	1.1
164.04863	1.1
165.05566	15.8
171.72643	1.0
179.03435	3.2
180.04292	1.1
181.08693	1.1
188.03529	1.2
191.05557	5.9
192.06630	1.4
194.05809	2.2
195.06627	9.8
197.11804	1.4
198.12093	1.1
199.12500	1.4
209.08215	3.0
222.16875	0.9
224.10881	0.9
227.05830	1.2
228.06699	2.3
238.07474	2.8
239.08215	1.6
240.05367	1.7
241.10660	2.0
242.11153	2.0
243.11316	3.7
253.09802	3.4
255.07820	3.2
255.11290	2.2
256.06058	2.3
257.06635	2.5
258.06494	1.1
263.08145	1.4
265.06152	2.1
265.09772	4.7
266.06927	2.2
267.07709	11.9
267.11349	2.7
268.09763	1.6
269.09317	2.9
273.08624	1.7
277.06174	1.2
278.06888	3.7
279.07666	2.7
280.08459	1.0
281.06372	2.7
281.09296	32.6
282.06631	2.4
282.09637	3.0
283.07379	1.3
283.10831	5.3
284.10974	1.4
285.12595	6.0
286.10892	2.6
291.07672	1.1
292.08557	1.4
293.09299	13.9
294.09662	1.3
295.07117	8.9
296.08011	11.6
297.08734	8.6
299.09769	1.5
301.11960	1.6
311.10349	100.0
312.10745	10.9
328.07034	1.2
329.11386	28.4
330.11737	2.8
342.11215	1.5
343.13019	1.3
357.13461	3.9
370.49933	1.2
373.10312	6.6
387.11578	1.4
405.12436	10.0
406.12579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1187
Annotation	Astringin
Peak:m/z	Relative Intensity
52.63194	0.3
53.44247	0.3
59.01385	2.1
61.98831	1.9
65.00291	0.4
71.01370	0.5
79.95734	9.2
80.02669	0.7
80.96503	2.3
91.01318	0.8
91.01891	14.4
92.02208	0.5
93.03449	0.9
95.01379	0.6
96.96009	12.3
107.05055	0.6
108.02168	17.7
109.02980	4.0
121.02963	0.8
123.00873	5.1
124.01641	0.7
135.00877	14.3
136.01164	0.5
137.02437	5.0
152.01149	17.6
153.01746	0.4
161.02449	0.5
191.05624	0.7
197.06026	1.1
197.11690	0.5
199.07655	0.6
209.11818	1.2
211.13322	0.5
213.05499	1.1
215.07094	0.7
215.39696	0.5
225.05403	0.5
243.06601	100.0
244.06937	8.4
265.66290	0.4
307.19217	0.8
325.20230	1.1
389.56180	0.4
405.11658	3.7
405.15894	8.4
405.24390	0.6
406.11542	0.6
406.16302	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01376	7.2
61.98815	1.2
63.14152	0.8
67.13314	0.9
69.03453	54.5
69.45893	5.6
70.03760	1.3
71.01380	3.6
79.01889	42.9
81.03465	2.2
85.02944	2.5
89.02436	2.9
93.03446	3.9
95.01377	9.0
97.02940	26.6
98.03272	0.9
101.02439	1.6
107.01386	80.2
108.02236	11.0
109.02972	4.9
109.85492	0.9
113.02417	1.5
119.03476	1.2
119.05035	1.1
121.02939	7.0
123.00871	13.9
123.04475	0.8
125.02441	43.5
126.02781	2.6
133.02975	3.3
134.03745	2.0
135.00885	2.3
135.04520	2.4
136.01675	7.4
137.02449	6.4
145.02930	1.4
149.02426	2.8
150.03258	1.1
151.00362	80.1
152.00929	3.2
152.92111	1.0
153.01938	18.2
161.02411	1.6
163.03993	11.3
177.01921	12.2
178.02211	1.3
179.14828	0.9
191.03511	1.0
197.06027	5.0
199.07632	2.2
207.03015	1.2
238.04012	1.0
242.05829	100.0
243.06544	58.7
244.06860	4.7
283.55969	1.0
285.07620	4.6
297.06079	20.3
298.06570	0.9
303.08688	1.7
390.16873	1.1
405.11926	18.3
405.20712	4.4
406.12195	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30462	0.4
59.01381	8.4
61.98828	2.9
65.04931	0.5
71.01379	11.3
72.99312	1.2
75.00864	1.1
76.78312	0.5
83.01376	0.7
85.02966	1.9
86.12737	0.5
87.00868	15.9
89.02407	1.2
93.03468	0.8
96.96045	0.6
99.66253	0.5
99.82397	0.5
101.02461	0.9
106.00204	0.5
109.02964	1.2
111.00896	1.1
111.30975	0.5
112.98769	0.6
113.02458	1.5
115.00372	35.6
116.00735	1.0
119.03481	0.5
127.00372	1.3
135.03018	0.7
161.02458	0.5
175.02469	100.0
175.34154	0.5
176.02806	4.6
187.04051	0.9
191.05606	3.3
193.05038	1.6
207.06689	0.6
227.03552	0.6
231.02986	2.2
233.04503	1.0
251.05534	0.6
265.04999	0.5
309.06180	0.8
405.08990	0.8
405.17609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
58.00576	0.9
59.01377	40.7
61.98820	2.5
67.01900	1.9
69.03449	1.9
71.01379	27.3
71.05025	1.0
71.52540	0.9
72.99326	1.4
73.02930	5.0
81.03448	1.8
83.01376	1.8
83.05020	1.2
85.02949	19.5
87.00872	6.3
89.02447	19.3
93.03449	13.5
95.01386	1.6
96.96016	1.1
97.02932	1.9
98.03753	1.8
99.00842	1.1
99.04514	3.2
101.02435	15.0
109.02982	2.3
109.06550	1.2
111.04490	3.7
113.02444	9.3
119.03503	7.9
123.08184	1.5
127.03991	3.3
129.77576	0.9
131.03493	1.2
137.09682	1.1
138.06818	1.4
141.09207	3.5
142.58719	0.7
143.03514	1.4
143.04552	1.0
149.04480	1.1
150.05609	2.3
153.09236	4.3
155.64085	0.8
159.03081	1.6
159.04471	4.7
161.04581	7.2
163.11249	0.8
165.09152	2.4
171.03004	1.0
173.04533	4.3
178.04968	0.8
179.05617	4.5
181.12346	1.6
187.03996	44.1
188.04309	3.4
188.78091	0.9
189.01884	1.4
189.12808	0.9
191.05597	86.8
192.05954	3.8
207.13867	3.4
225.14853	4.9
231.02965	100.0
232.03362	5.8
241.14444	1.6
243.15985	36.2
244.16260	1.2
257.09476	1.1
272.08856	1.0
299.10294	2.6
307.07846	1.2
311.10364	2.1
331.09457	1.6
405.08224	55.8
405.21649	8.3
406.08524	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	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33643	1.4
58.46297	1.5
59.01365	3.3
61.29137	1.3
61.98830	100.0
62.70790	1.2
96.95983	2.2
101.43733	1.5
208.39149	1.7
277.06546	1.3
367.79456	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	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94017	1.1
61.98829	100.0
81.02027	1.1
93.91625	1.0
98.20691	2.2
220.17130	1.0
228.98843	1.1
256.59921	1.1
266.71899	1.1
357.99637	1.1
412.34372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37114	1.2
61.98829	100.0
62.01386	1.0
69.96329	3.9
77.60323	1.1
80.35154	1.0
99.78695	1.2
130.48100	1.1
143.31638	1.0
184.69698	1.2
185.75432	1.1
191.89090	1.2
197.47981	1.2
205.38591	1.1
223.67276	1.1
356.19980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92022	0.2
61.98827	100.0
62.98513	0.4
63.42567	0.2
78.95921	0.3
96.96951	0.3
109.71391	0.2
145.28227	0.3
419.05219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96034	1.4
55.01865	1.9
58.00578	1.6
59.01378	28.0
61.98829	100.0
65.92213	1.2
71.01384	19.6
71.53580	1.8
72.99301	2.1
73.02950	3.6
78.95883	1.2
79.95741	23.9
83.01377	3.0
83.20918	1.4
85.02956	6.1
85.06603	2.9
85.07128	1.2
87.00875	2.5
89.02439	11.4
95.01348	1.2
96.43494	1.2
96.96021	3.0
99.00879	2.5
101.02447	13.3
110.67492	1.4
113.02440	5.9
119.03490	3.6
120.99636	1.2
133.02980	6.2
135.00871	1.9
135.04416	1.6
137.02399	1.7
139.00352	1.5
143.72871	1.2
151.00340	3.4
152.00986	1.7
152.92570	1.4
153.40672	1.3
155.14418	6.0
156.98488	1.2
157.04399	1.2
159.94467	1.3
166.02675	5.7
167.03090	3.8
173.85104	1.4
177.01865	3.1
178.02655	2.4
179.03302	1.6
181.05067	7.3
181.15947	2.2
182.05399	5.0
191.03548	1.7
191.05333	1.6
191.06979	1.3
199.13344	13.0
206.09138	1.6
225.14902	3.8
290.03644	1.6
307.07693	3.1
371.13718	1.3
374.13263	2.8
389.15659	3.9
404.18073	9.2
405.21307	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32901	0.5
61.98837	3.8
97.02789	0.5
99.95782	0.5
103.22341	0.4
117.03461	30.3
119.05029	15.1
120.05344	1.1
121.02967	8.7
123.04533	3.2
133.02942	2.1
134.03685	0.8
145.02954	51.4
146.03313	1.9
147.04485	0.7
149.02435	0.5
151.24496	0.5
162.03226	2.2
163.03979	6.2
313.58893	0.4
403.28513	100.0
404.28836	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	404.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97400	0.5
55.44984	0.5
59.01379	9.1
61.89787	0.6
61.98829	100.0
70.90328	1.5
71.01400	0.8
78.95896	1.6
96.95973	0.7
101.04076	0.7
119.00108	0.7
121.02941	3.2
136.71959	0.6
136.93970	1.2
143.97874	0.6
159.01407	1.4
160.01494	0.8
161.01207	0.9
161.98950	0.7
162.95547	0.7
177.96806	0.8
178.94951	1.5
179.95042	0.8
180.94606	1.0
199.63690	0.6
201.02455	1.4
203.99768	2.1
218.00471	1.0
219.00168	1.1
219.97813	2.6
219.99931	0.9
243.97768	0.9
260.01614	1.5
261.01160	2.1
261.99042	5.8
262.01428	1.4
262.98901	1.2
263.03760	1.0
276.99478	1.2
277.96695	3.2
277.99341	1.5
302.02505	0.8
314.02274	1.1
317.99695	0.9
319.00000	1.3
319.97467	9.3
320.00455	3.2
320.97565	1.2
321.00458	1.3
321.96274	0.7
360.00894	1.1
361.98444	11.4
362.98923	2.7
385.98651	1.3
403.99673	40.2
405.00137	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	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36727	0.3
61.98827	100.0
63.00766	0.3
69.67954	1.9
69.83308	0.4
123.34740	0.3
317.69315	0.4
405.09076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.98820	6.0
65.22778	0.5
71.51254	0.8
71.51606	0.6
72.99306	7.5
78.25278	0.6
85.67947	0.5
97.06579	8.8
99.08147	1.0
99.92574	0.7
125.06075	91.7
126.06406	3.9
143.07129	100.0
144.07483	4.2
253.08104	0.5
262.13641	0.6
277.21683	92.0
278.22043	9.8
311.07068	0.5
355.02612	0.7
403.28079	0.9
419.65826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2849
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
52.83700	0.4
59.01372	0.3
60.51751	0.3
61.98830	3.7
73.78963	0.4
104.65054	0.3
117.03463	29.1
118.03837	1.2
119.05025	15.2
119.15198	0.3
120.05366	0.6
121.02951	8.0
121.03767	0.7
123.04523	2.9
130.24541	0.4
133.02968	2.2
134.03703	1.3
145.02948	47.0
146.03282	2.9
162.03227	2.1
163.04008	5.5
164.04272	0.4
211.75465	0.4
403.28497	100.0
404.28848	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	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
56.49434	1.1
58.00582	2.4
59.01377	87.4
59.98529	1.1
61.98827	2.5
68.71509	1.2
69.22569	1.0
71.01389	47.9
72.99302	2.6
73.02923	1.5
78.61076	1.2
81.92947	1.3
84.48160	1.1
84.86700	1.0
85.02946	6.8
87.00896	1.9
89.02442	61.5
89.12279	1.2
93.03441	1.8
95.01371	2.7
99.04517	5.8
101.02435	24.3
111.04507	1.3
113.02455	21.4
118.39082	1.2
119.03501	22.2
124.05291	3.0
131.03511	2.3
135.04524	1.1
135.11801	5.8
143.03500	3.3
149.04494	1.6
161.04529	2.9
161.09698	4.3
173.61507	1.2
179.05626	6.9
179.10774	47.8
179.30034	1.1
180.11116	3.6
191.05673	1.4
223.09755	100.0
224.10080	7.7
230.43715	1.1
241.10728	1.5
246.43523	1.2
403.15924	5.1
403.20337	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03444	5.1
59.01378	85.8
61.98814	1.9
65.81624	1.1
69.19801	11.5
71.01376	14.5
73.02939	2.6
75.00857	1.7
79.05527	1.4
83.01362	2.0
85.02974	3.7
89.02444	9.1
93.03492	2.1
95.01443	1.1
99.04504	3.3
100.92044	1.2
101.02438	7.1
108.02191	3.8
109.02937	3.2
113.02461	4.1
119.03498	3.3
119.08658	2.7
124.01665	1.5
133.10229	1.3
135.08186	2.6
137.09769	6.4
152.01131	3.0
152.17506	1.2
153.01944	1.6
161.09756	4.3
163.07693	2.2
179.05634	1.4
179.10786	4.9
181.08698	13.6
189.26988	1.4
191.05634	3.7
197.11819	46.3
198.12215	4.0
223.09775	6.2
241.10808	100.0
242.11185	6.6
271.39047	1.1
283.11856	3.5
301.20938	1.3
403.06967	3.1
403.15991	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	403.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03434	1.4
58.00605	3.5
59.01376	97.4
60.01695	1.7
61.19690	1.4
61.98819	3.0
66.65176	1.5
67.01892	7.7
69.03452	28.2
69.24569	13.8
71.01379	49.7
72.99313	4.1
73.02943	6.5
74.08795	1.3
83.01371	1.7
85.02933	9.7
86.05473	1.5
87.00851	4.2
89.02438	64.4
89.83086	1.3
93.03465	4.8
95.01384	25.3
95.01955	2.6
95.05022	5.1
98.19966	3.7
99.00886	1.5
101.00831	1.7
101.02443	21.2
105.03453	5.3
111.00875	17.4
113.02445	20.5
119.03488	22.8
119.04977	7.8
121.02955	35.2
122.03297	2.5
123.04520	13.7
127.04008	100.0
128.04327	3.8
131.03545	3.5
139.00368	42.0
143.03476	2.5
147.04517	18.7
149.04552	2.5
153.05568	14.8
161.04494	2.9
165.05548	18.6
171.02995	5.5
179.05577	6.6
179.07126	8.0
191.03476	28.7
191.05542	5.5
192.03847	1.7
197.08150	14.6
209.04553	3.8
223.06096	18.2
241.04968	2.1
313.65228	1.4
371.09695	12.3
372.10144	2.3
403.12360	11.8
405.67209	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.5
61.48245	1.3
61.98816	6.1
62.18436	1.2
65.45219	1.3
71.01385	2.9
71.53335	2.5
77.35587	1.4
77.39694	1.4
85.02939	2.5
87.00892	1.5
93.03437	3.0
95.01367	1.5
101.02462	2.3
113.02450	1.5
122.06089	3.8
132.04556	6.8
135.04526	2.6
137.02489	2.5
147.03220	3.6
148.03990	4.6
152.01213	1.4
158.02382	3.4
160.03993	3.5
161.02409	2.9
162.05652	2.1
164.03459	2.0
169.06563	2.5
173.06133	1.4
175.02710	7.7
176.03531	15.1
177.03975	1.7
179.03568	1.8
181.05072	1.7
187.07639	13.3
190.05061	6.7
191.05547	7.3
192.02939	2.3
192.06642	1.8
197.06038	2.9
199.08961	1.2
203.02193	2.1
204.02998	13.9
211.12234	1.8
212.05894	3.2
212.10741	2.1
213.09137	2.0
215.06958	1.6
215.11838	2.4
224.09543	2.0
227.08273	9.5
228.10326	1.4
231.06526	5.2
231.10205	2.9
234.04068	5.2
238.07349	2.4
239.08173	4.5
239.11893	7.1
240.10210	5.5
241.05098	1.8
241.09804	4.9
242.21461	1.5
243.07622	1.8
243.11340	7.4
250.07603	1.7
253.06160	11.1
253.09718	3.5
254.06827	2.4
255.03922	2.5
255.07733	5.8
255.11353	3.8
257.08224	3.9
265.06122	2.3
266.06876	2.3
267.07626	4.1
268.08545	8.2
269.09335	8.4
271.07159	6.8
271.10757	2.2
275.09244	3.2
281.09369	8.8
283.07620	2.3
283.10846	25.0
284.11255	1.8
285.03955	2.2
293.05460	2.3
294.06464	7.9
297.05069	5.0
299.10193	4.1
309.08801	24.3
310.09131	3.2
311.06656	1.4
312.07553	2.4
315.13495	2.4
327.09811	39.8
328.10190	3.7
341.11493	7.5
353.07681	5.1
359.12384	7.9
371.08774	18.3
372.09375	2.1
385.10434	9.0
403.11371	100.0
404.11786	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	401.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.13703	1.1
65.03964	1.9
69.03450	4.3
71.01373	4.2
71.05007	3.3
71.42841	1.5
72.99310	2.5
81.03453	6.9
83.05025	4.4
85.02950	3.0
87.00861	3.0
99.04523	8.5
103.44775	1.2
117.05573	21.6
121.02941	6.4
127.04012	8.0
145.05063	77.8
146.05400	2.7
163.06096	7.5
255.23273	100.0
256.23642	11.3
313.07224	2.3
356.63263	1.3
401.29205	38.0
402.29272	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	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44254	31.4
63.49408	27.5
70.48226	100.0
73.67710	28.7
77.41434	27.8
86.53114	32.3
104.05499	29.8
139.10660	32.5
145.05069	67.5
146.05426	34.8
162.84975	30.6
201.04559	34.6
255.23021	41.9
256.23590	89.6
402.28833	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1033
Annotation	Apuleirin
Peak:m/z	Relative Intensity
54.63018	0.6
57.80255	0.6
59.01386	3.9
61.77019	0.6
61.98823	11.9
71.01363	1.1
71.46520	0.6
87.83329	0.7
89.02438	1.0
93.03442	1.5
98.20657	1.5
100.32308	0.6
109.02939	0.6
112.92699	0.6
115.04005	2.7
119.05019	1.3
121.02934	0.6
123.00864	0.7
123.04469	0.9
131.05070	0.6
133.02983	0.9
135.04527	2.2
147.04529	1.2
157.06653	0.7
158.03647	0.9
159.04480	0.9
161.02444	3.1
162.03229	0.9
166.02681	0.9
172.05356	0.7
173.04488	0.8
175.00371	0.8
175.03981	2.6
176.01192	1.4
177.01913	5.0
177.36942	0.6
178.02682	1.8
179.03517	1.5
181.05046	0.7
182.29056	0.7
183.04521	1.4
185.02370	0.8
187.03932	1.1
187.07614	0.8
189.01913	7.5
190.02626	2.4
191.03357	0.9
191.05615	2.5
192.06001	0.7
199.03886	1.1
200.04735	0.7
201.05559	1.2
202.02713	1.4
203.03476	9.3
203.10739	1.5
204.04240	7.8
205.01445	0.9
209.11728	0.8
211.03970	2.1
212.04744	1.0
213.05623	0.7
214.02669	1.9
215.03436	1.0
216.04056	1.0
217.01257	1.1
218.01999	0.9
219.06610	2.1
225.05502	2.9
226.06363	0.8
227.03459	6.8
227.07123	1.0
228.04291	4.3
229.01393	0.8
229.05028	5.6
230.02151	1.3
230.05519	1.1
231.02730	0.9
239.03281	0.7
240.04118	0.8
241.05022	1.8
242.02084	1.0
242.05792	2.5
242.07986	0.7
243.02965	1.0
243.06540	2.4
245.08296	0.8
247.06076	5.5
248.02972	0.7
252.04141	1.0
254.05859	0.8
255.02954	3.7
255.06506	1.8
255.10330	1.1
256.03641	3.0
257.04526	1.6
257.08340	1.5
262.04889	1.5
267.06781	0.9
269.04514	2.4
270.05103	3.9
271.02634	1.2
271.05951	2.3
271.09482	3.2
275.05579	0.6
275.09250	2.2
280.03806	0.8
281.08289	1.9
283.09448	0.8
284.06970	1.4
285.04092	3.0
285.07513	1.2
287.05585	10.0
288.06039	1.0
297.07590	1.9
298.08548	0.8
299.05914	1.1
299.09204	18.3
300.09531	1.9
303.05081	1.2
306.07434	1.4
309.07730	2.1
325.07123	1.6
327.08728	33.1
328.09128	3.9
331.08469	0.7
331.11993	4.8
341.10236	0.7
343.08221	5.9
353.07025	0.8
359.11349	4.9
370.14343	0.9
371.07666	7.0
372.07974	0.7
375.10751	8.1
376.11169	1.1
385.09378	0.7
403.10272	100.0
404.10629	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	401.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86773	2.2
57.01050	2.3
59.01370	8.0
67.01880	2.7
70.23898	8.7
71.01376	8.6
72.99306	4.6
73.02940	4.5
79.56006	2.2
85.02943	13.7
87.00870	66.1
93.03465	12.8
95.01368	2.4
97.03000	2.4
99.00915	2.3
101.02441	2.7
109.02933	7.2
109.86672	2.0
111.00858	2.6
113.02442	4.9
114.69795	2.2
121.02983	3.5
122.45028	2.1
123.00903	6.7
123.04523	6.2
124.01658	2.3
125.02514	2.4
127.04069	3.0
131.03459	2.8
135.04514	2.1
137.02429	7.9
137.96092	2.2
139.00409	2.3
147.04550	2.3
149.02448	5.2
151.00381	5.2
153.01930	3.0
161.02426	8.0
163.03978	23.0
164.04788	18.0
165.01959	3.4
165.05510	6.6
166.02705	7.6
168.78520	2.4
173.04555	12.0
175.03986	4.6
176.04762	14.5
177.01927	5.1
178.06331	22.2
179.03502	9.6
179.07133	37.0
180.07408	2.2
181.05109	10.5
188.04716	2.8
190.02670	4.4
191.03520	23.7
191.05606	68.5
191.07126	9.5
192.04222	3.2
192.05841	3.3
193.04973	10.6
193.08661	4.1
194.05788	10.7
203.03552	10.5
205.05074	9.4
206.05849	7.9
207.03008	3.9
207.06680	3.6
208.07364	2.4
209.00972	4.1
209.08167	10.5
218.05846	4.4
219.03017	6.1
220.03574	3.2
221.04526	5.8
221.08217	7.4
222.05208	2.5
234.05286	3.4
236.06932	2.7
238.04829	4.9
246.05630	2.4
247.02481	7.6
247.06104	3.7
249.07635	8.6
251.09431	4.4
262.02313	2.5
262.04715	11.2
265.07141	79.7
265.09894	4.6
266.07559	7.1
277.07172	34.6
295.08194	99.8
296.08588	8.3
325.09363	3.9
327.07339	3.8
337.09171	2.5
355.10214	24.6
356.10803	3.0
383.09888	8.4
401.10901	100.0
402.11227	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.09817	1.1
52.29832	1.0
55.01877	6.1
57.03448	6.3
58.00588	4.1
59.01376	80.7
69.03455	4.3
71.01380	100.0
72.01718	1.4
72.99297	3.7
73.02942	28.2
81.03461	1.5
82.88142	1.0
83.01382	16.1
85.02949	38.9
85.78883	1.0
87.00884	5.0
89.02444	47.8
89.09366	1.1
93.03481	3.1
95.01385	5.3
97.02953	3.8
98.20741	2.3
99.00871	11.2
101.02441	71.3
102.02804	1.4
105.14045	0.9
111.00883	10.6
111.04508	1.6
113.02441	29.7
115.04012	3.0
119.03413	1.3
125.02435	6.6
129.01906	1.5
131.03490	26.8
132.89966	1.0
137.02451	1.2
143.03502	5.7
149.04555	12.0
159.02977	4.9
161.04547	33.4
162.04904	1.3
173.04555	1.8
187.07538	1.3
191.05592	18.9
192.05881	1.3
233.06665	9.7
251.09312	1.7
269.10284	57.4
270.10696	4.2
293.08905	2.1
401.14542	41.5
402.14920	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
66.05621	1.0
69.95005	2.6
69.95397	3.2
71.01382	2.0
72.02177	1.2
72.20679	1.3
85.05414	1.1
141.09222	3.0
141.99789	1.0
154.43573	1.3
160.44421	1.3
167.14380	3.0
173.08440	1.1
180.02208	1.1
182.25714	1.2
191.05573	4.9
195.13995	6.0
197.15437	1.6
207.32059	1.1
211.16975	1.3
213.14989	7.3
219.99216	1.1
237.14934	8.7
239.16533	5.2
255.15990	93.2
256.16312	9.4
257.17551	100.0
258.17822	9.3
283.13437	1.5
368.80988	1.2
423.43286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55586	0.3
55.63941	0.3
59.01380	0.4
64.84137	0.3
66.57188	0.3
69.03439	1.3
71.52749	0.3
81.03452	1.8
87.15910	0.4
98.14213	0.4
99.04506	1.2
100.21396	0.3
103.77058	0.3
108.40013	0.3
117.05577	0.5
125.02453	0.8
142.99026	0.3
161.47379	0.3
237.22377	0.4
247.06882	0.3
255.23282	100.0
256.23639	10.4
277.25317	0.3
281.24832	4.1
282.25299	0.5
295.26419	1.2
319.26205	0.7
326.37079	0.4
327.28903	0.5
337.27560	0.6
399.27548	1.2
400.27948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85693	0.5
54.24054	0.4
56.80944	0.4
59.01378	0.5
61.98828	100.0
62.56355	0.4
62.96819	0.4
69.22776	1.3
69.23205	2.4
71.01378	0.6
87.00879	0.5
95.98669	0.4
98.19905	0.7
99.00891	1.3
105.50384	0.4
108.02206	0.4
109.02953	0.8
115.00373	1.4
127.89632	0.4
133.02972	0.6
139.00375	0.7
149.06099	1.3
152.01144	0.5
161.02426	2.2
162.10365	0.4
165.01878	0.4
175.02525	1.1
177.01888	3.5
191.05621	1.1
199.64557	0.4
217.91254	0.5
233.04448	2.9
277.03531	5.6
278.04248	0.5
319.04544	2.0
337.05722	1.8
400.05029	0.7
401.11215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1292
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
52.60170	0.3
55.01881	0.4
59.01382	2.1
61.37818	0.4
62.93703	0.3
65.67975	0.4
69.35281	1.3
69.35709	1.3
71.01384	3.4
73.02954	1.6
82.91892	0.3
83.01366	0.9
85.02947	2.6
87.00874	0.8
88.78650	0.3
88.88493	0.3
89.02435	0.8
93.03465	1.3
95.01360	0.4
99.00864	0.5
101.02442	3.0
105.03436	0.4
109.02985	0.6
113.02441	1.7
114.08959	0.4
117.03481	1.3
119.05028	0.6
125.02432	0.8
132.02148	1.6
133.02953	30.8
133.50214	0.4
134.03268	1.0
135.04517	6.8
136.04738	0.4
137.02417	0.7
139.70313	0.4
145.02905	0.4
161.02431	100.0
162.02762	5.4
163.04004	1.1
164.16541	0.3
169.01419	0.8
173.04527	0.5
178.99875	0.4
179.03499	3.3
179.79605	0.4
184.55850	0.3
187.77151	0.4
191.05602	8.4
207.01271	0.5
218.04051	1.0
241.72615	0.4
296.87317	0.3
356.35419	0.4
399.12903	60.4
400.13336	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	399.072
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
51.07605	0.5
59.01369	1.3
61.98809	0.5
69.86768	2.4
71.01369	0.9
87.62140	0.6
89.02438	1.2
98.19999	0.6
109.02972	0.6
143.26976	0.5
145.02905	0.6
159.04517	0.5
169.07727	0.7
174.03250	0.7
176.01222	0.7
177.01938	1.1
189.01927	0.9
190.02609	2.5
191.05655	0.9
193.01419	4.1
199.08731	1.6
200.01077	0.7
201.01903	0.6
202.02675	1.7
203.03503	0.6
205.01419	0.8
209.06123	0.5
214.02766	1.2
215.03543	1.0
216.00677	0.6
218.02156	2.7
221.00909	5.5
221.45615	0.5
222.01247	0.9
225.05656	0.7
227.03450	1.7
228.00653	2.4
229.01242	1.0
230.02139	1.8
237.05351	0.7
238.05843	0.5
239.03430	0.8
241.01424	0.5
241.04942	1.4
242.02132	2.0
243.02855	0.9
245.00858	1.8
246.01741	1.4
253.05069	1.1
254.05882	0.9
256.03711	1.1
257.00797	2.4
258.01642	2.5
259.02390	1.0
267.02908	0.7
269.00702	0.7
270.01556	1.0
271.02509	1.6
273.00354	1.7
274.01178	27.1
275.01520	3.0
277.05109	0.7
279.03018	2.1
281.04578	1.9
281.08148	1.1
282.01587	1.3
283.02460	2.0
283.09714	1.2
284.03268	1.7
286.01007	1.0
287.01895	2.3
288.02655	1.0
293.04620	0.9
293.07944	0.6
294.05273	0.7
297.03983	0.6
299.02017	4.1
299.09131	0.8
300.02628	2.0
305.12961	1.1
308.03262	2.1
309.04178	1.1
309.07672	3.4
312.02731	2.3
323.05508	1.2
323.13989	1.8
325.03552	3.2
326.04050	1.2
327.08624	1.0
337.07242	5.0
338.07626	1.2
355.08206	100.0
356.08505	12.5
399.07166	8.6
400.07483	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	399.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60170	0.3
55.01881	0.4
59.01382	2.1
61.37818	0.4
62.93703	0.3
65.67975	0.4
69.35281	1.3
69.35709	1.3
71.01384	3.4
73.02954	1.6
82.91892	0.3
83.01366	0.9
85.02947	2.6
87.00874	0.8
88.78650	0.3
88.88493	0.3
89.02435	0.8
93.03465	1.3
95.01360	0.4
99.00864	0.5
101.02442	3.0
105.03436	0.4
109.02985	0.6
113.02441	1.7
114.08959	0.4
117.03481	1.3
119.05028	0.6
125.02432	0.8
132.02148	1.6
133.02953	30.8
133.50214	0.4
134.03268	1.0
135.04517	6.8
136.04738	0.4
137.02417	0.7
139.70313	0.4
145.02905	0.4
161.02431	100.0
162.02762	5.4
163.04004	1.1
164.16541	0.3
169.01419	0.8
173.04527	0.5
178.99875	0.4
179.03499	3.3
179.79605	0.4
184.55850	0.3
187.77151	0.4
191.05602	8.4
207.01271	0.5
218.04051	1.0
241.72615	0.4
296.87317	0.3
356.35419	0.4
399.12903	60.4
400.13336	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	397.1501
Annotation	BRN 5158773
Peak:m/z	Relative Intensity
52.46368	0.2
52.95428	0.1
55.01878	0.5
56.49646	0.2
57.03445	0.2
59.01113	0.2
59.01383	2.2
65.75349	0.2
69.38970	0.8
69.39391	0.5
71.01382	2.8
72.19882	0.2
72.99290	0.2
73.02948	1.3
83.01378	1.0
85.02958	1.9
86.00098	0.2
89.02444	0.2
95.01390	0.3
98.24289	0.2
99.00869	0.4
99.73762	0.2
101.02427	2.6
105.03468	0.5
113.02449	0.8
117.03468	1.0
123.04549	0.2
132.02148	1.4
133.02951	33.0
134.03351	1.3
135.04517	6.4
136.04869	0.2
137.02428	0.7
147.10440	0.2
161.02431	100.0
162.02776	5.5
162.03792	0.1
163.04076	0.2
173.04541	0.4
178.02777	0.2
179.03500	2.2
201.76776	0.2
298.54956	0.2
323.34314	0.2
397.14987	62.3
398.15344	7.4
398.20706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.9
59.01385	4.9
61.98829	13.3
64.01920	13.2
65.00306	1.4
65.99838	1.7
67.01890	1.4
69.03453	2.4
70.34779	1.5
70.35146	1.6
71.01377	4.3
72.99331	1.1
73.02935	1.6
85.02959	9.7
87.00858	1.8
89.02452	1.8
93.03469	4.9
94.02997	1.2
95.01404	2.0
99.00898	1.2
101.02443	3.3
105.02158	0.8
107.01391	4.9
109.02946	1.0
110.08445	0.6
111.04533	1.3
113.02462	1.9
117.03419	1.0
122.02454	0.9
123.00816	0.9
125.02432	2.1
127.03976	1.4
132.02162	1.8
133.02953	32.5
134.03729	1.3
135.04517	15.8
137.02441	1.6
150.01933	1.6
151.00356	0.9
161.02437	100.0
163.03970	0.8
166.39133	0.8
169.01404	2.2
171.02922	1.2
173.04539	1.1
176.01147	1.6
178.01480	1.2
179.03490	13.1
191.05606	58.5
192.05934	2.1
206.00934	46.1
207.01266	2.6
224.02013	2.5
229.91611	0.9
335.07706	8.5
351.07193	0.8
398.07281	8.8
399.12900	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1316
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
50.39358	0.9
61.56699	1.0
89.14204	0.9
94.45367	1.0
96.96030	1.4
97.93163	1.2
98.20676	2.6
99.92580	68.8
100.92573	3.6
100.93215	0.8
106.68554	0.8
115.92077	14.9
116.92104	1.3
116.92865	12.0
118.89975	100.0
119.90001	5.9
134.89481	7.4
135.90240	21.8
136.90302	1.4
138.54335	1.3
150.88937	5.2
164.24992	0.9
194.82550	1.0
229.19431	1.1
350.54099	1.0
362.15530	15.2
363.15756	3.4
398.13171	66.2
399.13306	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	397.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.7
71.01398	2.1
71.52420	2.3
77.01456	2.2
85.02952	9.1
87.00320	1.8
87.00913	3.1
93.03483	3.7
114.24153	3.0
127.04018	3.3
191.05608	100.0
192.05980	2.6
205.01392	4.1
212.75513	2.2
213.23604	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	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85484	0.2
55.00928	0.2
55.01873	0.5
57.03431	0.3
58.05801	0.2
59.01384	2.5
65.10696	0.2
71.01382	2.7
71.26835	0.2
73.02950	1.4
83.01385	1.0
85.02935	1.9
87.00854	0.2
89.02428	0.3
89.03998	0.3
93.03449	0.7
96.67253	0.2
99.00896	0.5
101.02446	2.5
101.06075	0.4
105.03465	0.6
108.02153	0.3
113.02439	1.6
117.03496	1.1
123.04521	0.4
132.02151	1.3
133.02956	33.4
134.03342	1.2
135.04521	6.1
137.02414	0.7
147.04558	1.2
149.02419	0.5
151.04024	0.6
161.02437	100.0
162.01390	0.4
162.02776	6.2
163.04004	0.3
179.03496	2.2
191.05591	0.5
235.11821	0.2
247.35478	0.2
266.07620	0.2
369.06039	0.3
397.14996	62.8
398.15314	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	397.011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.1
61.07560	1.3
61.98822	5.8
70.35814	2.9
71.01377	5.7
71.04392	1.3
72.99294	11.2
74.99377	3.5
83.01395	6.8
85.01453	12.3
85.02952	1.6
86.99374	2.6
87.00896	1.6
88.40194	1.2
89.02442	2.3
98.99364	1.9
99.00882	5.6
101.00947	19.2
101.02429	1.9
102.98884	3.8
111.00877	5.7
112.98753	3.0
115.02520	1.9
117.00436	24.6
118.00561	1.7
123.03040	8.2
124.98828	2.1
125.00949	23.4
126.98861	12.7
127.02525	6.1
129.00444	1.8
129.01953	1.7
130.08746	1.5
139.02496	4.3
140.99339	0.9
141.00438	25.4
142.00545	2.3
143.02000	19.0
144.99980	1.9
150.98878	2.3
153.00436	2.9
155.01996	4.0
157.03552	47.1
158.03705	3.9
159.01488	18.1
160.01569	1.6
166.98405	2.2
167.02002	24.8
168.02115	2.9
168.99915	32.2
170.00110	3.2
170.97908	6.7
171.01483	5.3
183.00009	1.7
183.01434	6.3
184.97961	1.4
191.05577	6.3
192.99924	4.4
196.99414	2.3
198.97318	4.0
198.99437	10.1
199.01039	4.3
199.99635	1.6
201.00972	2.2
208.97876	19.1
209.97987	2.3
211.00957	58.5
212.01190	6.7
215.00533	2.1
217.00421	4.7
222.99432	2.0
225.01057	5.2
226.98668	3.2
227.00758	7.3
241.00523	39.7
242.00665	6.5
243.02048	3.5
250.98940	31.7
251.99164	5.8
253.00699	2.1
254.99937	6.8
259.01587	5.2
265.00400	3.3
265.91699	1.5
267.02100	4.4
268.02280	1.6
268.99939	2.2
271.01590	5.1
280.99994	4.1
283.01617	28.0
284.01746	4.7
285.03082	6.1
293.00021	100.0
294.00217	18.4
299.01047	2.0
299.04532	1.6
306.97775	1.6
308.99533	31.5
309.99680	6.1
311.00998	10.0
323.01077	2.4
324.01508	1.5
325.99817	10.1
327.00241	3.1
336.99057	18.1
337.02808	2.8
337.99063	2.7
350.87225	1.5
355.00024	4.3
397.01120	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	396.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44846	0.7
59.01374	1.3
89.02472	0.7
96.96025	6.2
97.93136	1.0
99.92583	58.1
100.92593	3.8
101.02462	0.9
102.61264	0.7
115.46012	0.6
115.92068	12.8
116.92076	1.2
116.92850	8.7
118.89975	100.0
119.90029	5.9
119.90817	1.1
134.89462	6.0
135.90245	16.9
136.90193	1.1
141.93636	0.9
150.88933	5.9
161.91800	0.8
246.69530	0.7
293.65115	0.7
314.65085	0.6
360.09570	0.8
360.14005	14.9
361.14059	2.3
363.25653	1.0
364.25659	1.0
396.11606	41.7
397.11899	9.0
397.16708	1.0
397.17609	0.9
397.22598	8.3
402.26505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
70.41128	0.5
71.01366	1.2
78.95904	2.6
98.20658	1.6
117.01953	0.7
135.02977	1.1
146.16412	0.7
152.99542	2.0
190.27242	0.6
229.12347	0.7
275.19965	0.7
277.21707	100.0
278.22025	13.0
345.24387	0.8
395.24060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51250	2.3
59.01385	3.4
61.89698	2.3
61.98829	100.0
80.24519	2.6
80.64867	2.3
93.03455	2.7
97.02978	5.7
121.02966	5.1
137.02464	16.8
140.00674	2.6
165.01924	63.0
191.05539	3.9
197.04549	19.7
197.24512	3.5
301.03467	15.2
333.06128	14.3
334.06320	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	394.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69815	1.4
54.66070	1.1
59.01381	2.6
61.98831	100.0
69.03442	3.9
69.81927	1.2
69.88978	3.5
69.89394	3.7
86.15759	1.3
87.41029	1.2
90.90263	1.1
133.02913	2.4
135.04524	16.0
157.95837	1.5
161.02428	5.5
169.01379	2.3
179.03456	10.4
193.78305	1.3
215.38388	1.2
331.11835	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	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64978	0.4
59.01379	0.8
59.93564	0.4
61.98828	100.0
62.98523	0.4
64.22103	0.4
71.52217	0.5
75.86637	0.3
79.49139	0.4
86.89541	0.4
119.86681	0.4
128.40294	0.4
261.10941	0.4
262.11963	1.5
263.12640	0.5
289.21188	0.4
291.19791	1.3
309.20593	2.9
310.21109	0.5
325.10214	1.4
331.18997	1.2
394.18439	3.1
395.18872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56942	0.3
59.01385	0.4
60.34726	0.3
61.98829	100.0
71.52630	0.4
101.98081	1.9
103.97731	0.3
107.08582	0.3
132.78023	0.3
263.91824	0.4
291.19717	0.4
308.11154	6.6
309.11514	0.4
313.17929	1.1
337.61581	0.3
339.03748	0.3
345.24103	1.6
376.25986	0.3
377.27191	1.1
395.28021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70418	0.6
59.01379	100.0
60.01711	2.2
61.98829	2.0
70.28891	1.0
71.01380	4.2
73.02960	1.5
83.01395	0.9
83.05031	0.7
85.02945	3.4
87.00864	1.0
101.02432	3.9
111.08152	0.7
113.02469	2.2
119.05026	1.1
120.99696	2.0
133.02965	1.1
135.04520	1.5
161.02396	3.4
161.04555	3.8
191.05588	1.4
223.74052	0.7
315.05008	1.1
335.20810	13.3
335.24554	1.2
336.21109	1.1
337.12906	0.7
395.13614	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	393.2644
Annotation	Tylactone
Peak:m/z	Relative Intensity
59.01370	8.7
66.44549	2.4
71.01375	9.1
71.53051	3.4
77.36012	2.5
78.95924	4.1
83.05003	2.4
84.02168	3.9
89.42195	2.2
96.95978	3.9
97.06578	2.7
99.08167	2.5
105.46087	2.7
108.02184	3.9
109.06611	3.2
125.02402	6.4
125.09673	4.3
127.07673	14.0
134.99619	2.2
139.07622	6.7
151.11284	3.1
152.99525	4.8
167.16980	2.9
169.01404	6.7
179.14412	6.6
197.11810	3.7
204.72597	2.4
209.11792	9.3
219.10211	8.9
233.19051	5.4
233.93373	2.7
237.11290	18.5
253.18086	48.8
254.18457	4.9
265.18048	27.3
266.18201	3.1
277.18069	67.9
278.18494	3.6
306.18307	25.7
307.18585	2.9
323.64731	3.1
324.19345	18.6
325.19995	2.9
357.24057	8.2
375.25378	100.0
376.25787	15.4
376.46274	2.5
393.26550	20.4
394.26645	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49136	0.6
53.52822	0.6
59.01378	100.0
60.01731	1.0
61.98830	1.7
69.50685	3.6
69.51089	1.1
71.01374	7.6
73.02956	1.3
83.01388	1.5
83.26508	0.8
85.02960	2.8
89.02437	2.4
93.03417	0.9
95.01384	0.8
101.02454	5.0
113.02441	3.2
119.03450	1.1
120.97118	0.6
143.03506	0.8
161.04605	3.0
191.05704	2.0
229.14485	0.9
242.66669	0.8
253.54414	0.8
331.17642	1.3
391.19690	2.9
391.23758	2.9
404.35486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1049
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
61.01015	0.4
69.03450	0.9
70.11306	1.2
73.02932	0.6
83.05062	0.4
85.02956	0.4
88.51547	0.3
93.03450	4.6
94.37220	0.3
99.04539	1.4
109.02945	0.5
111.04496	2.0
113.02444	1.1
137.02431	1.2
143.03464	1.3
144.84306	0.3
155.03503	0.9
155.05130	0.4
173.04590	1.7
173.05864	0.3
199.04160	4.6
217.05244	6.9
318.60428	0.3
391.10529	100.0
392.05896	0.6
392.10910	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.25776	0.5
59.01377	100.0
60.01706	1.3
61.98839	0.6
69.31414	4.3
69.31823	1.6
71.01376	7.6
73.02960	2.0
80.95370	0.6
83.01412	0.9
85.02940	3.0
87.00861	0.7
89.02438	3.7
101.02435	5.3
113.02451	3.4
119.03498	1.1
143.03479	1.0
159.03067	0.9
161.04539	7.3
162.04883	0.6
168.00664	0.6
191.05670	1.6
331.17587	7.4
332.17853	1.0
397.07199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
50.32596	0.7
51.15395	0.7
57.03447	1.2
59.01378	100.0
60.01724	1.1
66.91640	0.7
69.03423	0.8
69.48257	5.4
71.01376	12.6
73.02937	2.3
83.01414	1.4
85.02955	5.2
87.00867	1.0
89.02449	7.9
93.03481	1.1
95.01408	1.5
99.00903	0.8
101.02438	8.4
109.70422	0.6
113.02438	3.8
119.03516	3.1
120.99642	3.1
123.00883	0.7
125.02387	0.9
150.03253	1.0
159.02997	1.3
161.04556	5.4
165.05585	1.0
191.05612	2.8
195.06621	1.3
211.13368	1.2
214.98756	0.8
216.08376	0.7
229.14551	3.7
229.32016	0.8
300.99875	0.8
331.17596	5.2
373.18576	1.8
391.19742	42.3
392.19986	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44068	0.5
55.01855	0.7
57.03453	1.1
57.46903	0.5
58.00600	1.0
59.01377	100.0
60.01718	1.8
68.72980	0.5
69.03468	0.6
69.96329	2.0
71.01376	18.8
72.01706	0.6
72.99309	1.2
73.02937	10.8
74.03306	0.5
75.00880	0.5
83.00703	0.5
83.01393	3.2
85.02940	5.4
87.00893	1.4
87.04523	0.6
89.02444	14.9
93.03432	0.7
93.52321	0.5
95.01387	1.8
98.20645	0.7
98.97427	0.5
99.00889	0.9
101.02440	16.9
113.02449	6.5
119.03503	5.8
125.02431	0.9
131.03496	1.2
134.03703	0.6
135.04532	1.1
143.03528	1.7
146.03752	1.5
149.04617	0.7
151.04047	1.4
153.32524	0.5
161.02431	0.6
161.04533	4.4
162.03256	1.9
164.04738	0.6
169.01468	0.5
179.03473	2.7
179.05600	3.3
179.07155	3.6
180.04297	4.9
187.13374	7.4
188.13876	0.5
191.05595	11.8
191.07146	0.9
192.06032	1.0
195.06628	4.8
300.99960	0.5
306.64487	0.4
331.17697	2.1
349.18631	13.0
350.19055	1.4
353.08960	1.1
391.19788	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39004	2.0
57.70642	1.9
59.01368	9.1
61.98827	100.0
64.44943	1.8
66.91735	2.0
69.03443	2.1
71.52712	3.3
79.95719	10.5
80.91817	2.1
80.96532	2.5
83.05005	2.4
87.78213	1.9
89.57512	1.9
89.58089	1.8
96.96004	42.6
100.03032	1.9
105.48036	1.9
166.10141	2.3
310.21115	2.8
340.64835	2.0
390.16470	11.6
391.18036	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73392	5.1
54.96801	6.3
55.08562	5.5
59.01367	19.5
61.98829	100.0
68.42748	6.8
70.81802	10.0
70.82139	10.6
71.01395	6.6
74.68752	7.1
78.95908	13.4
78.96861	5.8
98.60049	7.1
128.87817	6.6
131.47446	5.3
139.00417	8.3
173.35355	6.0
270.59100	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	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66489	1.0
59.01390	9.8
61.98833	21.7
66.91853	1.1
69.73529	1.0
71.01399	1.3
71.52612	1.3
71.53041	1.3
73.62377	1.1
74.02800	1.1
78.95901	100.0
80.96336	1.3
88.51334	1.1
91.72554	1.2
96.96961	4.4
137.51324	1.3
172.07690	1.1
181.64328	1.2
205.68767	1.2
256.47354	1.4
390.17465	2.7
406.91614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12465	1.7
53.21760	1.5
56.48971	1.6
58.45901	1.8
59.01364	4.5
61.58748	2.0
61.64753	1.6
61.98828	100.0
65.20432	1.8
70.46916	1.8
78.95902	33.2
80.78207	2.1
149.90454	2.0
160.76573	1.8
193.40530	1.8
209.27850	2.2
255.17589	2.3
322.02853	2.0
344.62396	1.8
352.32239	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	389.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.98867	0.1
62.96404	0.3
69.03453	0.5
71.01368	0.2
71.53078	0.2
73.76366	0.1
78.95900	100.0
92.22979	0.1
96.96008	0.2
96.96959	3.7
97.02972	0.1
101.02445	0.2
118.57222	0.1
119.03435	0.1
386.40057	0.1
389.17334	3.3
389.28101	0.1
390.17764	0.4
404.40604	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	389.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91622	0.3
59.01377	5.1
61.98825	0.9
69.03463	2.4
71.01381	1.1
71.53703	0.4
72.99286	0.3
78.95903	100.0
79.95737	0.5
80.96523	0.3
85.02944	0.3
89.02461	1.0
95.05009	0.4
96.96051	0.3
96.96964	1.2
101.02429	0.9
113.02490	0.7
119.03490	0.8
121.06599	1.0
165.05600	0.5
183.06572	0.3
343.01550	0.3
357.07352	0.5
376.10077	0.3
388.31543	0.3
389.11154	0.9
389.17270	4.8
390.17685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03064	16.2
59.01376	43.5
65.19019	16.6
69.03445	53.0
70.58456	35.2
70.58826	34.4
71.01372	39.3
79.95758	21.4
80.96523	100.0
93.10423	13.9
101.02424	21.1
171.96136	14.0
179.10799	18.9
197.11792	74.8
210.24103	16.2
225.00653	30.7
237.22089	27.1
255.23233	51.7
299.04446	39.2
339.65234	17.9
389.19040	92.1
389.26947	28.9
389.69092	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.27644	9.9
69.69587	60.9
120.56980	10.7
151.13437	9.3
158.06125	15.0
160.61034	9.6
161.52441	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1638
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
57.03447	1.3
59.01383	5.6
61.98824	0.8
69.03459	2.8
70.54295	1.8
71.01376	1.7
78.95921	0.7
79.95734	58.2
80.96513	40.6
85.63042	0.5
89.02428	1.2
95.05023	1.3
95.95226	2.3
96.96008	46.3
97.02949	0.9
97.06536	0.6
98.20029	0.6
101.02460	0.8
119.30552	0.6
121.06589	1.9
125.06052	0.6
125.09741	1.4
125.56306	0.5
127.11411	0.5
153.13969	0.5
163.11234	1.8
165.12846	2.5
171.10214	1.1
179.14401	0.7
181.12386	0.9
185.11801	0.8
191.03799	0.8
193.16017	0.8
199.09726	1.6
209.04311	0.6
209.11804	0.6
211.13290	0.7
211.79977	0.5
223.13405	0.8
245.19167	1.2
247.20720	3.0
273.18695	0.8
289.18118	1.8
291.19641	27.5
292.19940	2.9
309.20676	26.7
310.21140	3.2
389.16348	100.0
390.16656	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	389.1637
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
51.64449	0.3
58.61769	0.3
59.01369	0.9
65.11308	0.3
65.11651	0.3
69.03443	0.4
70.42643	0.8
70.42995	0.6
71.01381	0.4
72.71325	0.3
73.63934	0.3
74.62854	0.3
79.95731	13.5
80.96535	0.5
84.98764	0.4
96.96008	100.0
149.96152	0.4
172.06918	0.4
181.12350	0.4
183.90414	0.3
240.13557	0.4
291.19629	0.9
309.20685	1.1
389.16364	38.0
390.16660	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	389.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
69.03458	0.9
70.67829	0.6
71.01406	0.4
72.03106	0.3
78.95901	100.0
89.02422	0.4
89.11252	0.3
95.05029	0.4
95.10559	0.3
96.96960	45.9
101.02465	0.3
105.74540	0.3
109.81044	0.3
118.74031	0.4
122.12066	0.3
139.29193	0.3
183.19400	0.3
265.11258	0.3
389.17334	7.9
390.17780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
67.01871	1.1
69.03444	2.8
69.28070	4.5
71.01387	2.7
73.02930	0.6
81.03434	0.8
85.02942	6.0
87.00871	2.4
89.02443	2.1
90.08723	0.5
93.03466	8.2
99.00855	0.6
101.02414	1.3
109.02953	0.8
111.04488	1.0
113.02447	1.0
118.16982	0.6
119.03486	1.2
121.06645	0.8
127.03991	2.0
134.03563	0.4
135.04509	6.9
161.02399	2.6
161.04543	0.6
173.04512	3.3
179.03464	0.9
183.22583	0.6
185.78911	0.5
191.05597	100.0
192.05962	5.8
221.85750	0.5
227.16510	0.5
231.20567	0.5
242.47314	0.5
258.58167	0.6
280.03629	0.5
353.08719	16.2
354.09030	2.1
389.06165	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	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.7
59.01380	85.4
60.01702	1.6
62.74953	1.7
65.03936	1.4
69.03455	100.0
69.46491	11.0
69.46813	2.5
70.03790	1.4
71.01379	31.0
72.99273	1.9
83.01397	2.4
85.02946	5.1
89.02442	43.7
91.37971	1.4
95.01384	1.6
95.05027	21.0
101.02437	22.2
106.04211	5.3
111.00903	1.8
113.02450	17.4
119.03504	26.3
119.04855	1.6
121.02969	7.1
121.05716	2.6
121.06595	51.0
122.06910	3.3
123.04518	5.3
139.00386	8.5
139.04001	1.7
139.07628	4.1
161.04610	2.3
165.05569	32.7
179.05612	4.0
183.05150	1.8
183.06610	17.9
205.51840	1.5
209.04581	14.6
210.87646	1.5
345.11862	22.2
346.12241	3.6
389.10843	46.5
390.11096	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	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04783	0.6
55.01868	1.2
57.03452	0.7
58.00592	2.0
58.69500	0.6
59.01377	100.0
59.57369	0.7
60.01697	0.9
65.03957	1.0
67.01901	1.8
69.03454	99.5
69.38994	1.3
69.39391	5.2
70.03795	1.4
71.01380	27.9
72.99297	1.6
73.02965	1.0
79.47829	0.7
83.01379	1.2
85.02950	4.8
87.00877	2.1
89.02441	41.5
90.02745	0.9
90.85526	0.8
93.07087	0.9
95.01398	2.5
95.05021	20.6
95.73846	0.7
96.05357	1.2
99.00880	0.7
101.02441	21.9
102.02827	0.8
103.80072	0.6
106.04241	3.6
112.59225	0.7
113.02443	16.6
119.03500	23.8
119.04933	1.0
120.03824	1.0
121.02962	7.7
121.06590	57.8
122.06930	3.2
123.04530	6.4
131.03485	1.9
139.00381	8.4
139.03992	1.4
139.07640	7.1
143.03476	3.0
149.02481	0.7
149.04558	1.7
161.04536	2.7
165.05557	29.1
166.05910	0.8
179.05611	5.0
180.05847	0.7
183.06618	16.9
184.06967	1.3
209.04550	16.0
209.06554	0.8
210.04865	0.8
217.39130	0.6
244.75172	0.7
345.11871	26.2
346.12152	2.1
389.10870	49.8
390.11176	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92713	11.7
58.07951	10.6
59.01374	100.0
61.98829	33.3
69.03457	26.4
71.01387	21.6
89.02428	33.4
94.00512	10.6
98.20701	35.3
101.02403	15.3
107.04396	11.4
120.66589	12.3
121.06616	13.2
137.26306	12.3
383.90982	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	389.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52137	0.5
59.01375	8.7
59.78413	0.5
60.99294	0.6
67.01884	2.4
69.03466	2.1
69.37279	2.7
69.37704	1.6
71.01383	4.5
73.02945	1.5
81.03487	0.8
83.01392	0.7
85.02951	8.6
87.00867	4.1
89.02452	1.3
89.71756	0.5
93.03461	17.4
94.03844	0.7
95.01321	0.5
95.05020	0.7
95.39346	0.6
98.19932	1.0
99.00910	0.6
101.02446	3.4
111.04498	3.0
113.02405	2.7
119.03519	0.5
127.04008	1.5
129.01900	0.5
135.04515	16.7
137.02449	0.8
153.05568	0.8
155.03523	1.3
159.03015	0.7
161.02446	1.6
161.04526	1.2
165.41168	0.5
171.03023	0.6
173.04536	14.5
173.06023	0.9
179.03493	4.8
191.05605	100.0
192.05940	4.0
345.11832	0.6
353.08746	27.8
354.09082	3.6
389.06366	3.6
389.17996	7.8
389.22174	0.8
390.06912	0.6
390.18463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.64928	16.1
71.01381	19.7
71.52486	15.3
75.88392	14.4
78.30945	12.9
133.06274	14.0
135.89313	15.7
141.22122	15.6
151.03951	18.9
161.94521	15.1
317.08780	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98825	29.4
69.65541	12.4
70.84948	31.3
70.85286	21.9
86.05381	11.7
89.02438	17.2
137.55563	14.1
150.59813	12.6
351.09348	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69708	1.6
54.75734	1.6
57.23463	1.5
61.98830	100.0
70.85580	1.5
71.01069	1.7
71.01378	3.2
78.95900	4.3
91.10334	1.9
95.53721	1.6
134.99312	1.6
182.39519	1.5
219.24644	1.7
267.89407	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30718	1.6
57.10384	1.6
59.01372	3.0
61.98827	100.0
70.59811	1.7
71.16647	3.5
79.95731	11.4
89.02431	1.8
96.96014	22.1
120.70393	1.6
123.21995	1.4
191.69455	1.7
225.37709	1.7
305.60599	1.7
389.16370	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01035	1.6
57.16391	1.5
59.01383	4.5
61.98831	100.0
73.73889	1.5
76.31837	1.4
85.75846	1.3
87.26395	1.4
107.42168	1.7
116.20161	1.5
133.39816	1.6
166.27870	1.7
349.97723	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	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
55.01872	0.5
57.03442	0.5
59.01377	10.9
62.49518	0.2
65.03944	0.4
67.01891	2.6
68.99812	5.3
69.03455	16.8
69.26882	0.5
69.27287	1.7
70.03787	0.4
71.01378	8.1
72.99316	0.5
73.02951	0.3
79.01891	11.4
79.41107	0.3
80.02248	0.4
81.03451	4.2
83.01379	0.4
83.05026	3.4
85.02942	1.5
87.00878	2.5
89.02439	6.6
93.03448	1.5
95.01388	3.0
95.05019	3.8
96.02157	0.5
97.02951	5.5
98.19824	0.5
99.00878	0.3
101.02446	7.5
103.05545	0.3
105.03456	2.5
106.04267	0.3
108.02218	0.3
111.04519	36.6
112.04848	1.3
113.02445	2.7
119.03502	2.9
119.04992	0.6
121.02953	9.0
121.06553	1.4
122.03252	0.3
123.00881	17.8
123.04519	6.2
124.01205	0.5
124.04765	0.3
127.04006	1.2
131.03503	0.3
131.05014	0.5
135.04485	0.4
137.02466	1.8
137.06059	0.8
138.03227	0.4
147.04532	0.7
149.02437	14.1
149.06078	1.8
149.09712	0.2
150.00401	0.2
150.02843	1.1
151.03998	0.7
153.05540	0.4
155.03494	100.0
156.03830	4.5
160.20438	0.3
161.04547	0.7
161.06032	0.4
163.07678	0.5
165.05566	4.3
166.05931	0.3
166.99847	0.4
175.03847	0.2
179.05624	0.3
181.05037	0.6
191.05521	0.7
193.05051	2.6
197.04512	1.3
197.08186	4.2
207.06602	8.8
208.06924	0.8
218.22890	0.2
223.95702	0.3
225.07684	8.3
226.08018	0.5
243.57565	0.2
248.49356	0.2
267.08762	0.7
355.10248	1.0
356.10611	0.3
372.27792	0.2
387.12943	12.7
387.20639	0.5
388.13382	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
52.78226	0.2
55.01867	0.3
59.01376	7.4
65.03938	0.4
67.01889	2.6
68.09594	0.2
68.99812	3.4
69.03452	10.3
69.27090	1.7
70.03797	0.4
71.01380	5.0
72.99291	0.4
73.02933	0.3
75.00884	0.2
79.01889	11.3
79.10410	0.2
80.02230	0.2
80.57821	0.2
81.03448	3.6
83.04571	0.3
83.05023	2.7
85.02950	1.2
87.00874	2.2
89.02442	4.2
90.02821	0.2
93.03471	1.0
95.01361	1.7
95.05022	1.6
96.02179	0.3
97.02943	5.0
98.03316	0.2
99.00866	0.3
101.02432	5.0
105.03436	0.7
106.04209	0.2
108.02156	0.3
109.03012	0.3
111.04516	37.6
112.04850	1.0
113.02459	1.8
114.44053	0.2
119.03502	1.6
119.05018	0.4
121.02955	4.3
121.06602	0.7
123.00881	18.1
123.04527	3.6
124.01205	0.6
125.02429	0.2
127.03996	0.3
131.04985	0.3
135.04503	0.5
137.02414	1.4
137.05983	0.2
138.03191	0.4
147.04495	0.5
149.02446	4.5
149.06041	1.4
153.05594	0.5
153.09183	0.3
155.03494	100.0
156.03845	4.6
158.17523	0.2
159.04295	0.2
161.04552	0.4
161.06049	0.5
163.03984	0.3
163.07639	0.3
165.05531	1.6
166.99908	0.5
175.04033	0.2
181.05099	0.6
181.08704	0.4
189.92009	0.2
191.05621	0.4
191.07176	0.5
193.05034	1.5
197.04512	1.3
197.08176	1.7
207.06618	2.0
207.10207	0.5
212.97414	0.2
217.78523	0.2
225.05823	0.4
225.07695	4.1
225.15019	0.5
235.06200	0.3
244.70395	0.2
267.08707	0.5
279.20316	0.2
355.10324	0.8
387.12976	10.3
388.13397	1.2
392.76437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.1
59.14894	0.7
66.46256	0.8
69.30435	1.6
69.30844	4.7
71.01368	1.6
83.81886	0.7
87.27479	0.7
108.04549	4.3
120.43780	0.7
122.06113	3.2
123.04504	1.1
132.04543	2.8
135.04529	1.2
136.04045	0.9
137.02437	1.9
146.06136	1.0
147.03281	1.5
150.05566	1.0
160.02760	1.6
160.04027	20.1
161.04445	2.1
165.01987	1.4
176.01099	1.6
176.03662	0.9
186.01990	2.5
188.03548	10.2
190.05153	1.7
191.05582	1.4
202.05103	1.5
204.02974	6.2
209.00905	3.2
210.05486	1.0
211.12361	0.9
212.07228	0.8
218.04538	13.6
219.05009	1.8
220.06081	1.7
223.08907	1.1
224.07300	0.8
224.09410	0.9
227.08231	1.3
234.61021	0.7
238.11023	0.8
239.11873	3.3
240.05231	1.0
240.10309	1.8
241.06146	0.7
243.11371	1.6
246.01505	1.0
246.98755	1.2
251.08224	2.4
252.09006	2.2
253.06274	2.7
254.06981	1.5
255.07646	2.5
265.09818	1.4
266.08212	1.0
267.04123	1.2
267.07886	2.5
267.11319	15.8
267.38550	0.8
268.09573	3.1
268.12088	1.3
269.09326	4.4
281.05682	10.3
282.06064	1.1
283.07278	1.3
283.10834	2.6
293.09344	2.2
295.07181	4.1
296.07910	5.9
309.08780	3.2
311.10352	100.0
312.10654	11.6
315.09619	1.2
330.30634	0.7
337.08255	13.9
338.08688	1.4
343.08383	1.1
343.12799	2.4
355.09341	36.9
356.09708	4.7
387.03290	0.9
387.11740	7.9
388.12146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
58.00581	0.7
59.01381	6.5
69.78345	3.0
70.77190	0.5
71.01380	9.1
72.99290	0.6
73.02929	2.3
82.02950	0.8
83.01377	1.0
85.02943	2.3
87.00887	1.5
89.02427	2.5
95.01373	0.9
98.19988	1.1
99.00887	0.8
101.02447	5.1
106.02998	0.7
108.04559	4.3
113.02458	3.9
119.03483	0.7
122.06147	3.0
132.04559	2.6
136.04019	0.9
145.05312	0.6
147.03241	1.0
158.02470	0.8
159.03110	0.8
160.04028	18.5
161.04530	5.6
162.05594	2.2
174.05585	1.0
175.02670	1.2
176.03546	0.7
176.07129	1.4
186.01953	2.4
188.03537	10.4
189.04170	0.9
190.05116	2.2
191.05565	1.0
202.05037	0.7
204.03014	4.0
207.13828	0.9
210.05743	0.7
211.08693	1.6
211.12329	1.3
212.07355	1.0
218.04547	12.6
219.05093	1.5
220.06219	1.0
224.09464	1.8
226.03903	0.6
227.08295	0.7
237.06551	0.7
239.06181	0.9
239.08357	1.3
239.11903	4.9
240.05281	1.4
240.10225	1.6
241.06259	0.8
241.09755	0.8
243.11386	1.4
251.08275	2.8
252.06776	0.8
252.09067	3.4
253.06146	1.5
254.06889	1.6
255.07689	2.6
255.11371	0.8
255.28647	0.7
265.09723	0.8
266.08224	1.0
267.07813	2.6
267.11371	16.8
268.09647	4.1
268.12161	1.1
269.09235	4.7
270.09595	0.7
278.07019	0.6
280.04846	0.7
281.05707	11.4
281.08945	0.8
282.06195	1.9
283.07211	2.1
283.10864	4.2
293.09329	2.3
294.07074	1.1
295.07193	4.6
296.07953	6.3
297.08124	0.8
309.08914	2.9
311.10370	100.0
312.10684	13.0
315.09961	1.2
337.08279	11.2
338.08426	1.3
343.13000	3.8
355.09338	35.6
356.09637	3.5
369.10828	0.6
378.05630	0.6
387.11798	11.3
387.19534	3.4
388.12265	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93143	5.9
59.01376	81.5
60.19118	5.5
61.98827	100.0
62.27325	4.8
66.37159	4.9
67.42468	5.4
71.01385	15.5
71.15554	11.5
78.95894	7.2
123.04534	8.3
130.40498	5.6
207.77402	7.7
233.03912	5.6
275.92004	5.2
387.14651	6.5
387.20361	9.1
388.00323	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41212	5.6
57.74465	5.3
59.01369	23.8
59.40957	6.5
60.41682	5.9
61.98832	100.0
69.78893	10.0
69.79305	22.0
71.01380	6.9
78.95867	8.8
109.08060	5.5
110.35609	6.1
157.51912	5.4
165.80650	6.3
406.38162	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66001	0.9
57.31939	0.9
59.01378	100.0
60.01722	1.7
61.20114	0.9
70.37965	2.6
71.01379	5.4
72.99289	1.1
73.02959	2.3
81.63575	0.9
83.01366	1.4
85.02960	2.9
87.00922	0.9
88.79819	0.9
89.02441	2.5
93.03463	1.7
101.02425	2.1
109.02951	1.1
113.02453	2.6
118.78040	0.9
119.05084	1.0
121.02954	1.2
126.30688	0.9
135.04530	1.4
148.05299	22.1
149.05576	1.4
161.04541	2.8
163.07632	27.8
164.07982	1.3
179.10789	1.2
191.05579	5.1
205.12271	1.2
241.14731	1.0
327.35025	1.0
341.06784	1.4
385.13300	1.6
385.18213	2.6
386.81161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.9
61.73067	0.9
61.98827	100.0
69.33115	3.7
69.33551	5.5
98.20737	1.1
121.02947	1.3
129.48605	1.2
130.08714	5.5
138.38779	1.1
141.04909	1.0
161.45552	1.0
191.05544	1.7
204.37686	1.0
322.20148	1.9
357.08551	1.2
385.08307	6.2
408.05637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.9
59.23740	1.4
61.98827	100.0
70.68945	3.7
70.69331	3.0
71.01402	2.8
78.95912	3.0
89.02465	2.4
93.08482	1.7
113.02440	2.3
119.03493	1.4
134.19479	1.4
155.03503	3.5
172.34503	1.6
181.05165	1.9
211.13373	4.6
353.38916	1.7
387.14420	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	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24092	1.6
53.80675	1.7
59.01377	21.4
61.98828	100.0
69.19707	17.9
71.01394	4.3
74.02463	4.8
78.95914	2.2
85.02911	1.8
89.02457	2.4
101.02442	3.9
101.13911	1.5
102.22597	1.7
102.51548	1.8
104.72243	1.8
108.76337	1.9
113.02481	3.1
118.03758	1.7
120.60290	1.8
123.04475	2.5
137.02467	1.8
151.03964	1.7
155.03461	2.7
191.05637	3.3
211.13333	8.9
264.57581	1.9
336.80408	1.8
342.07257	1.8
357.09363	2.0
385.29370	1.9
386.25479	4.1
387.14539	7.1
387.20145	2.7
387.27179	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	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	2.3
61.98830	100.0
107.44175	2.5
123.37705	2.2
156.00261	2.5
156.09280	2.7
183.63232	2.3
288.32397	2.7
319.60437	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	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
62.66560	0.4
67.03070	0.4
69.52566	2.6
71.01369	3.8
73.02943	1.5
75.00880	0.5
75.66301	0.5
83.01375	1.1
85.02946	2.0
96.36241	0.4
99.00864	0.5
101.02440	3.5
113.02442	1.2
117.03462	0.6
121.02966	0.9
132.02135	2.7
133.02953	34.1
134.03468	1.1
135.04521	7.3
149.02425	4.1
152.01131	0.8
161.02429	100.0
161.81631	0.4
162.02766	5.5
163.03978	0.8
164.04771	3.3
179.03496	3.2
179.07140	1.0
191.05460	0.5
193.01416	2.0
208.03723	3.8
223.06099	10.9
224.06485	0.7
385.11371	57.3
386.11734	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.7
59.06833	0.5
59.67768	0.5
61.98830	0.7
62.12346	0.5
62.23381	0.6
65.37043	0.6
69.03462	0.8
69.53222	3.6
71.01374	4.5
72.99303	1.6
73.02951	3.1
75.00877	3.4
83.01387	3.5
84.01727	0.7
85.02940	6.1
87.00875	6.4
89.02448	1.1
93.03467	0.6
96.96007	1.1
97.02923	0.7
99.00869	1.5
101.02454	2.1
113.99575	1.6
115.00375	11.8
121.02955	0.9
127.04054	0.7
127.05200	0.6
133.02930	0.6
135.04527	1.2
139.00418	0.7
141.97099	0.6
144.44424	0.6
146.09819	0.8
149.02435	0.9
161.02470	1.5
161.06062	1.0
162.63934	0.6
163.04001	1.5
165.00154	0.7
173.04625	0.7
174.01683	79.4
175.02444	9.5
178.06308	1.6
179.03474	1.8
179.07129	0.7
191.05615	7.4
192.99614	0.8
193.01244	1.4
193.05029	1.5
194.05853	0.9
207.06615	0.7
209.08163	3.9
214.40077	0.6
223.06081	2.5
223.09756	0.9
225.71364	0.6
239.09251	2.6
251.09230	1.5
265.07208	0.9
267.08679	4.7
279.08722	1.9
281.10190	0.7
295.08206	11.5
296.08600	1.1
297.09683	0.7
325.09299	14.4
326.09604	1.5
385.11395	100.0
386.11743	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
56.01641	0.2
57.03438	0.3
59.01385	2.8
71.01376	3.2
73.02931	1.2
74.59600	0.2
83.01393	1.1
84.00857	0.3
85.02942	2.0
87.00862	0.2
89.02458	0.4
95.01364	0.4
98.19870	0.5
99.00864	0.4
101.02429	3.1
105.03464	0.6
113.02483	1.2
117.03465	0.9
126.71819	0.3
128.07634	0.3
132.02135	1.1
132.35791	0.2
133.02953	33.0
134.03339	1.1
135.04521	5.7
136.04802	0.3
137.02411	0.6
161.02431	100.0
162.02769	5.4
162.04065	0.5
163.03981	0.4
179.03445	1.9
186.02985	0.2
191.05675	0.3
200.29504	0.2
251.07500	0.9
255.72113	0.3
332.74435	0.2
383.13431	63.1
384.13751	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05361	0.2
59.01373	1.2
64.73401	0.2
67.01884	0.5
70.48843	0.7
71.01383	0.6
72.99294	0.3
81.03490	0.2
85.02958	6.9
87.00881	1.6
93.03461	3.5
109.02956	1.0
111.04493	0.8
118.42020	0.2
121.02988	0.5
127.04018	1.8
133.02954	0.7
135.04514	1.0
137.02434	1.0
139.04002	1.1
148.01682	0.3
149.02420	1.7
161.02469	2.1
162.02742	0.3
165.01831	0.5
167.03514	1.0
171.02953	0.4
173.04602	1.4
179.03487	0.5
191.05608	100.0
192.05949	4.7
193.01393	0.9
205.00034	0.2
353.08737	4.4
354.09225	0.5
377.18835	0.2
377.23721	0.2
385.07199	0.5
385.08469	0.3
385.11691	1.8
386.11908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Axitinib
Peak:m/z	Relative Intensity
59.01377	2.5
62.66560	0.4
67.03070	0.4
69.52566	2.6
71.01369	3.8
73.02943	1.5
75.00880	0.5
75.66301	0.5
83.01375	1.1
85.02946	2.0
96.36241	0.4
99.00864	0.5
101.02440	3.5
113.02442	1.2
117.03462	0.6
121.02966	0.9
132.02135	2.7
133.02953	34.1
134.03468	1.1
135.04521	7.3
149.02425	4.1
152.01131	0.8
161.02429	100.0
161.81631	0.4
162.02766	5.5
163.03978	0.8
164.04771	3.3
179.03496	3.2
179.07140	1.0
191.05460	0.5
193.01416	2.0
208.03723	3.8
223.06099	10.9
224.06485	0.7
385.11371	57.3
386.11734	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05835	1.0
70.71635	2.2
79.59865	1.0
85.02948	10.6
85.15556	1.0
87.00897	1.4
89.32387	1.1
93.03460	3.3
114.98839	1.0
121.67001	1.1
127.03973	2.7
189.77090	1.3
191.05605	100.0
192.05956	3.9
192.35051	1.1
282.78055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
69.95839	1.1
70.47901	3.0
75.99486	1.3
77.99149	1.3
81.63874	1.2
85.02944	5.8
87.00842	2.6
93.03436	3.4
95.39226	1.2
127.03979	1.2
191.05597	100.0
192.05919	6.4
221.56886	1.3
355.26660	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	383.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28664	2.1
61.42920	2.1
70.03750	6.2
77.89501	2.6
85.02950	7.7
93.03455	3.5
95.30569	2.1
98.19839	2.1
113.16599	2.6
191.05609	100.0
192.05968	3.1
227.93127	2.7
236.80002	2.7
316.84412	2.5
381.38626	2.5
408.90277	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	383.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72576	0.3
57.03436	0.4
59.01376	3.3
71.01388	3.0
73.02940	1.4
76.35446	0.3
77.00380	0.3
83.01404	1.0
85.02944	1.9
86.00085	0.3
89.02451	0.8
93.03452	0.3
96.95978	0.3
99.00931	0.5
101.02445	3.9
102.67576	0.3
104.21224	0.3
105.03477	0.4
113.02444	1.3
117.03438	1.0
126.80100	0.3
130.29414	0.3
132.02190	1.3
133.02954	34.8
134.03333	1.0
135.04532	6.5
136.04771	0.3
137.02377	0.5
154.00905	0.8
161.02435	100.0
162.02766	6.5
169.61395	0.3
179.01837	0.7
179.03476	2.5
184.53258	0.3
188.40083	0.4
191.05539	0.6
221.08282	0.3
221.10332	0.4
251.07472	1.8
352.17300	0.3
383.13440	60.9
384.13766	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	383.077
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01386	3.1
60.17406	0.6
70.47867	1.3
70.48212	1.2
71.01386	0.9
75.69611	0.6
89.02454	0.8
95.01431	0.5
101.02415	1.0
113.02407	1.3
138.55418	0.6
139.46201	0.7
189.70569	0.7
195.08064	0.8
209.05986	0.7
211.07643	1.3
213.01869	1.0
221.06158	0.8
223.03989	0.8
223.07639	0.8
225.05495	1.0
227.03377	0.9
230.05930	0.7
239.03441	1.8
239.07095	2.0
242.05872	0.8
249.05528	0.8
251.07193	0.8
253.04933	1.1
256.03857	0.8
256.07495	1.2
261.05450	0.8
263.03424	0.9
264.04031	0.8
265.05090	0.6
266.05655	0.6
267.02789	1.6
267.06421	3.0
268.07324	1.3
269.04596	1.3
270.04523	0.7
271.09805	1.9
272.03024	0.9
273.00378	0.7
277.05161	2.0
278.05847	0.7
279.06534	0.7
280.03809	1.6
281.04785	1.3
281.08182	2.1
283.06058	0.6
283.09723	2.0
284.06729	0.8
285.03806	0.7
293.04688	1.1
295.02716	1.1
295.06088	1.5
296.03485	0.9
296.06912	1.8
297.04034	1.3
297.07327	0.9
298.04971	0.6
299.01917	0.6
299.09302	1.6
300.02655	1.0
305.04547	1.3
306.05176	1.0
309.04013	2.6
309.07724	2.9
309.28433	0.6
311.09229	0.7
314.04211	1.8
322.04956	1.4
323.05530	2.9
323.09619	0.9
324.06238	1.1
325.03531	3.8
326.04123	2.6
327.05283	0.9
327.08630	3.5
334.04877	1.3
335.05545	1.0
337.07138	2.9
338.07788	0.8
339.05026	4.0
339.08527	0.6
340.05759	7.0
341.06165	0.9
341.10410	0.7
351.05014	0.8
353.06631	3.9
354.03674	1.0
354.07474	6.8
355.08191	25.7
356.08554	2.7
365.06488	2.0
383.07700	100.0
384.08002	13.5
384.12543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55967	0.9
59.01371	2.0
60.99726	0.9
71.37779	0.9
71.52456	1.0
78.95886	6.2
81.06996	0.9
133.67441	1.0
149.46838	1.0
151.07625	2.5
152.99580	6.5
170.05815	4.9
170.32637	0.9
192.11424	1.1
199.13394	4.3
233.19014	1.1
249.18524	1.0
251.20102	3.7
277.18079	84.7
277.97232	0.9
278.18423	7.5
279.19659	27.1
280.19974	2.1
295.19128	100.0
296.19479	11.0
363.25397	19.9
364.25775	3.7
373.70456	1.0
381.20871	1.0
381.26398	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	381.2644
Annotation	16,16-dimethyl PGF2beta
Peak:m/z	Relative Intensity
53.49245	0.8
59.01360	1.0
69.74719	2.0
69.75130	2.7
78.95914	0.9
98.19908	1.5
152.99623	1.0
274.59464	0.9
317.21259	7.6
318.21582	1.1
349.23883	3.5
356.96680	1.0
381.26431	100.0
382.26813	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	383.0769
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
53.73635	1.1
55.40306	1.2
59.01376	9.8
61.98826	1.7
71.01379	3.7
71.51974	1.4
73.02914	1.2
84.42525	1.3
85.02993	1.4
89.02438	2.4
101.02437	1.6
113.02451	3.0
120.09622	1.1
121.02952	100.0
122.03288	4.2
126.77415	1.1
143.38788	1.3
147.04514	2.7
149.02403	1.9
181.06590	4.9
191.03497	9.0
225.05588	8.3
251.07101	3.0
280.25183	1.4
287.15714	1.1
295.06113	10.9
311.09174	14.5
312.09512	1.8
313.07175	18.7
314.07556	2.0
323.09851	2.6
339.08673	14.9
340.09335	1.5
344.68262	1.3
355.08286	3.1
383.07703	39.0
384.07904	6.5
397.02835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1916
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03432	1.1
58.00583	1.0
59.01380	5.1
59.15618	0.3
60.04931	0.3
67.01876	0.6
69.03445	2.2
69.24701	0.9
69.25105	2.8
71.01382	4.8
72.99274	0.5
73.02950	2.3
81.62102	0.3
83.01391	1.3
84.26128	0.4
85.02939	3.1
87.00873	0.5
87.04514	0.5
89.02434	2.4
93.03455	0.9
95.01368	0.4
96.73289	0.4
97.02944	0.4
98.19933	0.9
99.00902	0.7
101.02441	4.6
104.63519	0.4
111.00857	0.5
113.02441	1.8
113.06055	0.5
119.03541	0.5
125.02395	0.4
129.01941	5.0
131.03493	1.2
133.02962	0.6
135.04524	2.4
135.08150	0.9
137.09749	2.2
141.01930	0.4
149.04510	0.6
161.02420	1.1
161.04530	1.1
165.09270	0.6
173.04578	1.8
179.03500	2.3
189.01910	1.1
191.05649	2.8
191.14418	0.6
217.15988	0.7
219.05103	1.4
221.04472	0.4
227.18114	0.4
233.19090	0.6
233.74629	0.4
235.20648	0.5
243.17407	0.7
245.19142	1.9
249.13414	5.5
250.13770	0.7
251.05608	1.1
255.17622	0.7
257.15442	0.9
257.19180	0.8
259.16895	0.6
263.20197	0.5
273.18610	0.7
275.19971	0.8
291.19562	0.7
319.19144	0.8
335.18692	0.9
337.20181	36.1
338.20447	4.9
347.70673	0.4
381.19159	100.0
382.19482	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	378.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98829	100.0
63.70002	0.2
63.70369	0.3
69.17909	2.9
71.49120	0.3
75.50038	0.2
76.20697	0.3
95.24632	0.2
96.96023	0.5
99.01000	0.2
103.90227	0.2
146.03844	0.3
149.00064	0.3
176.07329	0.3
204.38280	0.3
210.12041	0.3
293.21323	0.6
341.09775	0.4
378.19016	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	379.2851
Annotation	Persin
Peak:m/z	Relative Intensity
52.42437	0.5
59.01390	0.6
66.58543	0.6
70.08177	1.3
70.08575	1.1
84.98567	0.5
90.48833	0.5
93.03437	0.5
99.92558	0.6
111.22410	0.6
116.92803	0.5
163.61465	0.5
295.08774	2.0
347.25916	7.4
348.26028	1.4
363.15015	2.8
379.28506	100.0
380.28854	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	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.6
59.01378	5.6
61.98832	0.9
66.59970	0.7
69.03475	0.9
71.01380	6.7
73.02945	0.9
83.01396	2.3
85.02958	9.9
87.00885	2.2
87.04506	1.5
89.02428	1.5
93.03438	0.9
95.01400	1.1
97.02956	3.2
101.02419	3.4
107.05005	1.2
109.02937	1.4
111.00874	1.0
111.04530	0.9
120.99609	0.7
121.02946	0.7
129.01939	100.0
130.02269	2.7
131.03418	0.9
133.02946	7.3
134.03697	2.7
135.04521	57.9
136.04860	3.1
137.02452	1.0
139.04033	1.8
141.01932	4.1
149.06061	2.2
159.02997	2.3
161.02437	20.2
162.02725	1.4
176.63637	0.7
177.05533	2.6
179.03496	50.6
180.03839	2.8
189.01956	1.7
191.05627	3.5
193.97559	0.7
201.03966	0.7
219.05064	9.8
221.04515	3.2
236.83089	0.7
249.13400	3.0
251.05603	27.2
252.05963	2.3
277.07367	1.0
309.10147	0.8
337.09418	1.5
381.08228	23.8
381.12866	1.8
381.17532	2.7
381.21735	0.7
382.08575	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	377.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98626	1.2
57.03443	1.5
57.14608	1.0
58.00583	4.7
58.49168	1.1
59.01376	100.0
60.01701	2.4
69.03446	2.5
69.46716	7.3
71.01379	59.3
71.01781	3.0
72.99310	2.5
83.01397	2.6
85.02936	9.2
87.00853	4.1
89.02439	86.1
90.02744	1.3
95.01382	2.7
101.01794	2.1
101.02431	30.3
104.31739	1.2
105.63374	1.1
107.05046	1.4
107.30644	1.5
113.02442	28.8
114.02803	1.3
119.02649	2.4
119.03495	35.3
123.08117	3.5
124.09518	1.2
125.02419	1.7
131.03481	5.3
135.04518	12.4
143.03488	5.8
149.04536	3.9
161.04526	6.9
179.05603	26.7
197.08134	10.3
201.38249	1.3
204.75385	1.2
215.08124	1.3
312.59796	1.4
333.15393	2.4
341.08670	2.2
377.14490	15.3
378.14673	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	377.2696
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
57.03437	1.3
59.01362	4.2
61.98816	1.1
63.36708	1.0
65.64017	1.1
66.91600	1.1
69.36308	6.1
69.36729	2.8
71.01377	2.9
92.71799	0.9
95.05010	1.2
96.96030	1.5
97.06582	2.7
98.03748	1.3
107.04998	1.3
113.09721	3.1
115.07633	3.8
120.77916	1.0
125.06074	5.1
125.09697	1.2
126.06835	2.2
127.07604	1.5
141.09215	10.6
152.08482	2.1
153.09058	1.3
154.09933	2.1
175.11354	1.3
177.12764	1.4
183.13913	1.6
193.15948	1.4
221.11815	6.1
223.17001	1.7
233.19116	2.0
235.16977	3.9
235.20593	1.7
239.12766	5.9
249.18674	6.5
251.20207	6.1
261.18652	3.6
261.22202	12.3
262.22617	1.7
275.20126	1.4
279.19669	9.4
281.21042	1.4
293.21103	1.2
308.19907	1.6
315.26886	10.0
316.27423	1.5
323.18661	1.9
331.26468	1.3
341.24893	3.0
349.27390	2.3
359.25894	80.1
360.26218	13.7
377.26944	100.0
378.27258	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	376.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
57.03444	2.7
58.00591	3.4
59.01379	83.3
60.01716	14.8
61.46373	1.5
62.99006	1.4
63.66338	1.7
69.03455	100.0
70.03786	36.0
71.01378	50.3
71.52843	3.4
72.01720	9.0
72.99296	5.2
73.02975	2.8
81.03449	6.2
82.03806	3.0
82.31571	1.5
83.01363	4.5
85.02944	11.8
86.03271	2.8
87.00880	2.9
89.02443	53.3
90.02785	10.1
91.02853	1.7
95.01385	3.1
95.05026	12.9
96.05360	4.5
96.96007	4.1
97.02931	2.5
99.00875	2.7
99.04491	7.4
100.04845	3.5
101.02446	22.9
102.02755	8.9
107.05015	3.3
108.05308	1.6
109.02923	2.1
111.04558	1.5
113.02451	18.8
114.02776	6.1
119.03497	19.8
120.03835	4.6
121.02942	3.0
121.06595	9.6
122.03279	1.6
122.06920	7.4
123.08127	6.3
125.02407	1.8
125.06069	6.8
126.06409	2.5
132.03865	2.2
135.03506	2.6
135.04530	51.5
139.07635	1.9
143.03488	5.6
144.03850	4.3
144.90999	1.8
149.06058	5.2
150.06381	6.8
151.07657	25.1
152.07991	28.0
154.85742	1.9
156.01201	1.9
159.03062	1.9
161.04509	3.4
169.08730	8.2
170.09026	4.6
179.03491	4.6
179.05594	3.7
180.06047	1.7
191.05617	6.4
192.51523	2.0
195.06645	10.9
196.06938	14.4
197.08165	5.2
219.02988	1.8
220.03351	1.9
234.04980	1.9
278.03766	2.7
297.09848	1.9
338.05905	6.7
341.08627	8.1
376.13226	50.5
377.13910	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	377.1422
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01371	0.5
61.98796	0.5
64.18423	0.4
71.39951	0.4
73.86227	0.3
74.47964	0.4
76.44496	0.3
78.83594	0.3
84.93880	0.5
98.19855	0.8
99.92583	83.7
100.90460	1.1
100.92592	5.2
100.93372	3.1
115.92075	39.6
116.92248	3.8
116.92857	100.0
117.92872	5.9
117.93652	0.6
131.91594	0.6
132.92267	0.4
202.47868	0.4
214.60411	0.3
229.01668	0.5
269.04874	0.4
290.06058	0.9
291.06671	0.4
299.05862	0.6
308.07254	2.2
315.14243	0.8
333.15439	0.8
359.13202	1.6
360.13297	0.4
365.14197	0.5
371.09653	0.5
373.11053	3.0
374.11493	0.8
377.14249	44.8
378.14465	8.9
387.09250	0.6
391.12109	4.8
392.12479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.6
57.03443	6.4
58.00588	2.2
59.01378	39.7
59.86281	0.5
68.99800	0.7
69.03459	1.9
71.01381	100.0
71.17342	0.8
72.01717	1.5
72.99309	4.8
73.02947	34.6
74.03286	0.8
75.00874	2.2
81.03457	1.0
83.01386	20.4
84.01726	0.5
84.02175	0.6
85.02950	52.4
86.00092	2.4
86.03302	1.5
87.00867	4.4
88.10244	0.4
89.01885	0.3
89.02443	10.0
90.57575	0.4
95.01395	8.2
96.96011	3.8
97.02952	3.0
99.00882	16.0
101.02442	87.6
102.02753	2.2
111.00881	2.0
113.02448	42.9
114.02776	1.3
119.03500	1.6
120.99639	0.6
125.02465	2.2
129.01958	2.9
131.03540	0.5
143.03490	5.6
159.02992	10.7
161.04559	40.0
162.04901	1.4
179.03484	0.8
179.05637	0.5
205.03554	1.5
213.18623	0.6
237.09187	0.5
268.45270	0.6
283.19125	0.9
286.04706	0.5
311.48383	0.5
354.73410	0.5
375.13824	2.7
375.23843	21.5
376.24088	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.1
62.54478	1.2
69.41454	1.3
69.47924	1.5
71.53362	1.6
78.95895	1.8
79.44803	1.4
91.16051	1.2
95.05025	37.1
95.77680	1.3
96.05366	1.7
99.92575	2.9
125.26593	1.3
135.04520	2.9
137.21397	1.3
150.02928	1.7
189.05247	1.8
195.13902	9.8
196.14420	2.2
201.81604	1.3
205.12135	1.5
206.50125	1.5
223.13367	9.7
224.13795	1.5
246.12354	15.2
249.11211	1.6
256.13181	3.3
265.21820	1.7
267.14114	1.7
275.20294	6.6
278.11349	81.3
279.11761	8.2
293.21210	100.0
294.21542	15.3
315.19330	18.8
316.19791	2.4
338.12073	2.9
375.06906	2.4
375.13000	2.6
375.21307	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62689	1.7
59.01372	6.2
69.89687	10.5
71.01376	3.5
77.48067	1.9
77.92780	1.8
83.56400	2.0
93.03468	4.2
108.02163	4.3
109.02934	14.8
120.99680	3.5
121.02952	8.5
122.03791	2.3
136.01662	88.4
137.01976	3.3
151.04002	100.0
152.04344	6.7
159.04431	2.1
160.05318	3.4
161.06059	2.0
165.05592	2.2
170.29694	1.7
175.04018	3.6
175.07626	2.0
189.05635	2.1
239.07097	2.6
251.07193	2.1
257.04510	2.8
267.06580	17.1
274.74536	1.7
282.09027	14.3
282.34378	2.0
294.08966	2.4
297.11298	35.6
298.11502	4.5
299.02090	2.0
312.09744	4.2
315.12317	8.0
327.12390	14.9
327.74982	2.0
328.12717	2.3
332.10947	2.0
337.48654	2.0
342.11417	3.1
345.13202	3.1
357.13495	20.3
358.13626	2.4
375.14996	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85549	0.6
71.00182	1.0
71.00494	0.8
74.99064	2.7
97.25296	0.7
101.17667	0.7
110.23396	0.7
110.89199	0.9
130.14954	0.7
149.01042	1.1
159.08495	8.2
161.06395	2.0
192.98059	0.9
197.29877	0.7
209.01241	2.9
217.07159	0.9
275.05774	1.1
277.07474	2.7
289.07550	1.0
291.09103	90.3
292.09222	11.8
293.07495	0.8
357.13788	1.6
359.15338	100.0
360.15469	18.2
375.18411	5.3
376.18610	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32518	0.3
55.01879	1.1
55.65284	0.2
56.12156	0.2
57.03446	1.0
58.00604	1.6
59.01377	51.0
60.01710	0.9
63.73597	0.3
71.01379	24.7
71.30421	0.5
72.01732	0.5
72.99307	1.5
73.02949	1.2
83.01372	1.9
85.02947	6.4
87.00880	0.5
89.02439	20.5
90.02772	0.5
95.01376	2.0
99.00879	0.8
101.02439	14.9
102.02795	0.4
113.02449	8.0
114.02846	0.3
119.03505	7.0
125.02402	0.3
149.04604	0.4
179.05699	0.4
183.13901	0.6
195.13885	10.2
196.14240	1.1
206.11919	0.3
213.14922	4.5
214.15263	0.3
270.72449	0.3
307.10965	0.2
307.14926	0.3
357.19202	0.8
375.20190	100.0
376.20544	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	375.1292
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
51.29434	1.2
58.00582	1.8
59.01376	43.3
65.03962	4.3
69.03452	2.2
69.80268	7.1
69.80634	2.7
71.01007	1.8
71.01376	21.5
72.99318	1.6
83.01407	1.4
85.02944	5.5
87.00874	11.2
89.02438	26.3
93.03441	12.7
95.01392	1.5
95.05012	2.3
96.95994	2.4
97.06598	2.1
101.02438	11.4
107.08604	1.6
113.02477	8.4
118.24662	1.3
119.03493	8.9
119.04931	1.5
121.06586	14.7
125.06075	100.0
126.06393	4.9
135.04453	1.7
149.63026	1.6
150.20291	1.2
151.07626	36.1
152.07916	2.4
161.04617	1.8
169.08691	18.8
179.05612	2.4
195.06677	12.1
213.07664	94.5
214.07942	5.0
244.74408	1.3
375.12946	30.8
376.13089	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	375.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03438	5.4
59.01376	74.7
69.03455	71.1
70.03791	2.0
71.01381	41.3
71.52290	2.4
71.52660	2.0
72.99297	1.7
73.02941	2.4
81.03457	2.1
85.02940	9.1
87.00874	6.8
89.02442	36.0
90.02779	1.6
93.03437	3.9
95.01392	2.3
95.05023	49.0
96.96009	6.4
97.02921	1.9
99.04508	7.8
101.02447	20.4
107.05032	34.2
109.06593	2.1
113.02436	30.5
113.03158	2.2
119.03490	14.8
125.06062	13.7
133.06589	4.2
151.07642	48.5
152.07997	3.3
158.08765	1.6
161.04527	2.6
165.69716	1.6
169.08685	87.7
170.09119	3.7
179.05603	3.4
181.19563	1.8
195.06725	2.6
213.07671	100.0
214.08023	5.2
258.76443	1.4
283.27249	1.6
308.46454	2.2
344.65305	1.7
375.08112	2.4
375.12933	67.3
376.13248	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	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
58.00581	2.2
59.01378	76.0
67.01888	1.5
69.03455	100.0
70.03790	1.9
71.01015	2.2
71.01379	36.9
72.99310	2.2
73.02923	1.6
79.52696	1.4
80.75796	1.3
81.03449	4.5
83.01397	3.1
85.02948	9.2
87.00851	2.7
89.02441	44.2
94.14539	1.3
95.01382	4.9
95.05017	12.5
96.96035	1.8
99.00885	2.2
99.04516	10.0
101.02439	24.1
105.03458	3.5
107.04988	2.2
113.02451	14.4
115.00388	1.9
119.03512	20.0
121.02937	6.4
121.06594	21.7
125.06071	5.5
131.03514	1.5
131.11913	1.3
139.07629	1.9
143.03494	7.7
149.06068	8.5
151.07642	40.4
152.07976	3.4
161.02339	2.2
161.04507	3.8
169.08676	10.8
169.34140	1.4
175.03897	2.2
177.01878	2.0
179.05583	4.2
194.01830	1.8
195.06642	20.0
219.02930	3.0
237.03983	4.4
253.53563	1.4
277.03604	2.4
337.05716	7.4
339.06110	1.6
375.08072	2.9
375.12897	44.6
376.13162	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	375.1293
Annotation	Loganate
Peak:m/z	Relative Intensity
55.01861	2.0
58.00613	1.9
59.01376	66.7
62.93757	1.7
69.03070	3.1
69.03452	61.2
69.69000	8.9
70.03777	1.8
71.01379	34.1
72.99316	3.0
73.02931	1.9
81.03466	1.9
83.01394	1.8
85.02932	7.6
87.00877	5.6
89.02441	37.4
93.03488	2.1
95.01386	3.2
95.05019	2.5
99.04530	11.2
101.02452	16.7
107.05029	37.8
108.05367	2.8
113.02448	33.9
113.03242	1.6
119.03486	13.5
125.06097	19.1
133.06627	1.9
142.63531	1.5
151.07658	21.8
152.07986	1.6
161.04590	2.7
169.08682	17.5
179.05632	5.0
195.06653	2.6
213.07675	100.0
214.08005	5.9
237.43636	1.3
320.77417	1.7
326.31699	1.6
375.08078	3.0
375.12946	61.8
376.13235	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	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.7
57.03440	2.7
58.00587	3.4
59.01377	55.3
59.57027	1.1
61.12676	1.2
64.12392	1.1
69.03453	84.7
69.15863	11.8
70.03773	2.0
71.01381	29.9
72.99286	1.6
73.02944	2.0
81.03449	2.0
85.02945	4.7
87.00878	5.0
89.02437	32.3
93.03458	2.7
95.01364	2.5
95.05023	33.1
98.20689	2.4
99.04520	12.4
101.02432	15.3
107.05022	14.8
109.06599	3.4
113.02442	45.5
114.02731	1.3
114.82089	1.3
119.03490	12.3
125.06094	8.0
133.06584	2.5
138.05186	1.2
143.03430	1.3
151.07635	12.8
161.04570	2.2
169.08690	31.5
178.98907	1.2
179.05565	3.9
213.07663	100.0
214.08064	6.2
297.69183	1.3
301.93115	1.6
338.51700	1.1
375.12921	55.7
376.13260	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98814	94.6
71.25563	27.5
81.94227	28.4
89.02452	34.1
93.03484	34.9
124.04916	28.7
135.04434	52.7
149.48468	26.0
229.01295	32.6
293.01184	27.4
374.24658	29.6
375.06836	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86300	0.7
59.01378	3.3
69.03457	24.6
70.03793	1.2
71.01380	2.1
71.53711	0.7
81.03462	2.7
85.02940	0.7
87.00900	1.1
93.03446	0.8
94.40870	0.7
95.05031	2.0
99.04565	1.0
101.02413	0.9
105.03461	0.8
107.05045	2.4
113.02452	1.5
117.03485	1.7
125.02455	1.5
125.06082	1.3
133.02950	5.9
134.03746	5.6
135.04524	100.0
136.04848	6.1
143.03505	1.6
149.06053	0.7
151.07649	4.2
161.02435	28.6
162.02846	1.2
163.04025	1.5
164.04730	4.4
169.08688	1.1
173.06009	1.0
179.03494	81.6
180.03851	4.8
181.05051	0.9
213.07697	1.8
216.15294	0.7
256.36163	0.7
261.07700	7.0
262.07977	0.9
313.10828	2.0
331.11859	36.0
332.12207	5.1
375.20343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2746
Annotation	3-Oxo-5beta-cholanate
Peak:m/z	Relative Intensity
50.41498	3.1
54.46532	3.2
57.50126	2.8
59.01367	7.2
69.17303	9.1
69.17719	25.2
97.02987	3.4
97.06583	41.4
121.10178	4.7
121.75916	3.9
134.90651	3.8
173.65526	3.8
189.11325	3.4
235.16913	6.5
275.20230	15.8
277.54657	3.4
311.23386	3.2
317.24945	6.8
329.24701	10.4
345.27859	24.5
346.28284	4.4
355.26367	54.0
356.26843	8.3
373.27469	100.0
374.27661	11.0
385.18314	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
57.03445	4.6
58.00594	1.4
59.01377	100.0
60.01719	0.8
69.03460	3.5
71.01379	60.8
71.31114	0.5
71.75241	0.5
72.01736	1.6
72.99326	2.7
73.02942	21.3
74.96037	0.6
75.00896	0.8
77.83295	0.5
81.03447	0.8
83.01382	10.5
85.02946	29.5
86.00085	1.2
87.00889	2.3
89.02447	11.6
93.03477	0.8
95.01381	3.9
95.05016	0.5
97.02937	5.2
98.19942	1.5
99.00878	10.1
101.02438	52.7
111.00878	1.3
113.02448	26.3
114.02774	0.6
119.03498	3.1
120.99636	0.8
123.04533	0.7
125.02450	1.1
129.01971	1.7
141.01909	0.8
143.03481	2.7
147.17688	0.5
149.06088	1.8
151.04062	0.7
159.02992	6.6
159.04152	0.8
161.04549	23.9
161.05882	1.3
162.04868	1.0
193.05106	2.1
205.03656	0.7
211.17242	0.5
265.10733	0.6
278.82101	0.7
331.17728	1.9
373.12860	0.8
373.22235	7.0
374.22882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.223
Annotation	Myrsinionoside A
Peak:m/z	Relative Intensity
53.80914	0.6
55.01875	2.2
57.03453	2.6
58.00592	4.4
59.01376	100.0
60.01723	1.9
61.98827	0.8
63.49588	0.5
68.99835	0.6
69.03455	5.3
71.01378	85.6
72.01720	1.6
72.99297	6.3
73.02943	10.2
73.91885	0.5
75.00857	0.7
81.03446	0.8
83.01389	6.4
83.77711	0.6
85.02947	23.0
85.69011	0.5
86.03300	0.8
87.00877	4.9
89.02441	76.9
90.02772	1.1
93.03464	1.9
95.01379	6.4
97.02940	9.0
98.20749	1.0
99.00864	4.9
101.02439	57.7
102.02799	1.2
105.03469	0.5
106.31440	0.5
108.28640	0.5
109.02974	0.5
111.00880	1.1
113.02444	34.2
114.02799	1.3
114.67750	0.6
119.03500	34.7
120.03794	0.8
121.02951	0.8
123.00905	0.6
123.04532	1.5
125.02423	1.5
131.03514	2.7
133.02892	0.8
135.04492	0.8
137.02412	0.6
137.09805	0.6
139.15770	0.5
143.03484	7.0
149.04546	2.3
149.06047	4.0
151.04004	1.4
159.02989	5.2
161.04543	26.8
162.04906	1.2
179.03487	1.0
179.05603	6.1
181.05032	1.0
193.05055	4.2
205.03448	1.1
207.06734	0.8
211.17128	1.0
259.50372	0.6
326.10913	0.6
342.79782	0.5
358.10324	0.8
358.14459	1.2
373.12476	1.5
373.17386	2.2
373.22263	53.4
374.06134	2.4
374.22607	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	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
57.03447	3.8
58.00587	1.0
59.01377	100.0
60.01709	0.9
67.01894	0.8
69.03440	3.7
69.52021	2.2
69.52427	1.0
71.01381	55.9
72.01724	1.0
72.99311	1.7
73.02944	20.6
81.03467	0.6
83.01389	9.8
85.02948	25.3
86.00140	1.1
86.03250	0.6
87.00873	2.7
89.02444	11.5
93.03499	0.7
93.34141	0.6
93.40159	0.5
95.01391	4.1
97.02944	4.1
99.00881	8.9
99.01472	1.0
101.02438	45.6
102.02804	0.9
103.72074	0.5
111.00916	0.8
113.02449	26.0
116.48430	0.5
119.03511	3.2
123.04549	0.8
125.02470	1.6
129.01939	1.4
141.01974	0.6
143.03539	1.9
149.06059	1.4
151.03976	0.7
159.02994	5.3
161.04549	22.3
168.60307	0.6
179.05608	0.7
193.05101	1.7
230.26799	0.6
262.49167	0.6
269.23999	0.6
331.17712	1.5
373.12289	1.1
373.22211	5.7
374.22571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.15111	0.8
57.03456	1.1
58.61803	0.7
58.97875	0.7
59.01379	100.0
59.37910	0.7
60.01706	1.7
65.60004	0.7
65.60595	0.6
69.03452	8.3
69.26445	7.2
71.01379	14.3
71.38995	0.7
72.99298	1.0
73.02953	2.8
85.02953	4.8
89.02445	9.9
93.03458	3.1
96.96048	1.1
97.02947	12.4
99.00919	1.2
101.02444	7.4
105.03438	0.8
113.02441	4.5
119.03559	3.8
123.04549	3.2
125.54400	0.7
133.05269	0.8
149.02496	0.8
149.06046	4.5
161.04553	3.6
167.07112	1.2
185.77066	0.7
193.05020	6.5
225.73730	0.8
287.83890	0.8
314.34543	0.8
331.17786	2.1
331.24319	0.7
373.11823	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
57.03445	4.6
58.00594	1.4
59.01377	100.0
60.01719	0.8
69.03460	3.5
71.01379	60.8
71.31114	0.5
71.75241	0.5
72.01736	1.6
72.99326	2.7
73.02942	21.3
74.96037	0.6
75.00896	0.8
77.83295	0.5
81.03447	0.8
83.01382	10.5
85.02946	29.5
86.00085	1.2
87.00889	2.3
89.02447	11.6
93.03477	0.8
95.01381	3.9
95.05016	0.5
97.02937	5.2
98.19942	1.5
99.00878	10.1
101.02438	52.7
111.00878	1.3
113.02448	26.3
114.02774	0.6
119.03498	3.1
120.99636	0.8
123.04533	0.7
125.02450	1.1
129.01971	1.7
141.01909	0.8
143.03481	2.7
147.17688	0.5
149.06088	1.8
151.04062	0.7
159.02992	6.6
159.04152	0.8
161.04549	23.9
161.05882	1.3
162.04868	1.0
193.05106	2.1
205.03656	0.7
211.17242	0.5
265.10733	0.6
278.82101	0.7
331.17728	1.9
373.12860	0.8
373.22235	7.0
374.22882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1685
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
57.26721	0.7
58.34407	0.7
59.01377	7.5
61.98847	0.8
63.96236	46.0
69.03452	3.7
69.75324	3.6
71.01353	3.6
73.56055	0.7
79.95733	100.0
80.96519	7.2
85.02979	0.8
88.85387	0.6
89.02444	2.6
96.96006	8.5
97.02938	4.7
98.19968	1.2
101.02407	1.0
113.02425	1.2
123.04545	1.3
123.72578	0.8
132.99629	4.9
149.06027	1.8
156.86356	0.7
171.10323	1.1
173.06357	0.9
183.13892	25.5
184.14243	1.6
189.05875	2.3
193.05016	2.8
195.13858	2.8
210.42345	0.7
223.13452	1.3
245.08418	4.6
247.10036	2.7
247.93730	0.9
252.63405	0.9
263.09512	4.9
263.16550	2.5
275.20206	1.0
291.19617	4.4
293.21222	27.8
294.21518	3.8
331.45471	0.7
341.19571	3.2
355.15857	5.6
373.12042	2.1
373.16830	35.7
373.21729	1.7
374.17038	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	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.64458	0.6
59.01376	100.0
60.01705	0.7
68.54728	0.7
69.03460	3.6
71.01379	8.3
71.53538	0.8
72.99319	0.7
73.02946	4.4
75.83912	0.6
83.01404	2.1
85.02959	1.6
89.02448	6.3
93.03483	0.8
95.01431	0.7
97.02930	4.4
101.02445	6.0
105.07319	0.7
113.02451	4.5
118.16171	0.6
119.03513	2.8
123.04501	0.9
149.06097	2.3
157.22763	0.6
161.04584	0.9
179.05602	0.7
193.05067	2.6
210.06900	2.6
211.07547	0.8
237.36945	0.7
325.28378	0.8
373.12213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02377	1.7
58.00597	4.7
59.01379	100.0
61.98830	3.5
67.01894	3.2
67.74561	1.9
69.03457	75.2
70.03795	2.7
71.01379	66.8
72.99303	4.6
83.01402	2.2
85.02941	10.9
87.00875	4.6
89.02443	69.8
93.03442	15.8
95.01383	7.9
95.05038	2.1
97.02946	94.5
98.03226	2.2
101.02440	37.8
101.50201	1.7
105.03432	3.8
113.02437	19.4
119.03490	28.2
121.02988	3.9
121.06600	3.7
123.04517	18.7
136.22565	2.3
141.01918	6.3
143.03497	4.3
149.04904	3.3
149.06073	45.3
161.04518	3.7
167.07088	9.7
179.05577	11.4
193.05032	58.0
194.05377	3.1
204.24130	2.7
264.32370	1.8
343.01074	2.7
373.11346	23.8
374.11530	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.7
59.29325	2.6
60.82415	2.5
69.03449	61.4
71.01379	61.0
72.99304	6.6
85.02961	14.1
89.02443	65.7
93.03461	17.2
95.01382	4.7
96.96033	6.7
97.02948	100.0
98.03262	3.3
101.02445	29.7
105.03446	3.9
113.02443	22.3
119.03487	24.0
121.02973	3.4
123.04532	22.1
131.03578	3.6
131.50882	2.9
141.01894	4.2
147.04568	3.4
149.04826	4.6
149.06073	35.3
151.03999	4.5
161.04614	4.6
167.07127	9.2
172.06622	2.7
179.05592	6.6
190.06737	2.8
193.05035	53.6
344.78204	3.2
373.11450	22.3
373.16110	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	373.1501
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
51.31737	1.1
55.01881	4.0
57.03448	3.6
58.00592	5.2
59.01377	100.0
60.99317	1.6
69.03454	42.4
69.56733	9.1
71.01378	67.5
71.49711	1.4
72.99304	6.0
73.02952	9.9
83.01369	8.6
85.02954	24.7
87.00867	9.6
87.69304	1.5
89.02442	45.7
93.03452	13.7
95.01398	5.5
96.96004	13.5
97.02944	58.8
98.03288	2.1
98.19999	3.1
99.00880	6.1
101.02435	50.1
101.03104	2.5
105.03468	2.9
109.02969	5.2
111.00914	2.5
113.02448	27.4
113.03175	2.5
115.00384	6.6
119.03498	20.3
119.05022	1.4
120.99693	1.7
121.06599	2.9
123.04502	14.5
131.03496	2.5
135.04530	6.7
139.07661	1.4
139.11290	2.8
141.01952	4.0
147.04555	2.8
148.05315	1.6
149.06073	29.9
149.09743	2.9
150.06425	2.6
151.03990	2.2
159.03036	2.6
161.02449	9.3
161.04532	10.1
163.04012	4.1
165.05569	3.1
165.76508	1.4
167.07129	6.2
167.10779	15.4
175.02464	6.4
177.01961	3.9
179.03648	1.5
179.05632	2.8
181.05049	12.0
183.02971	1.3
189.05618	4.3
191.03682	1.4
191.05649	3.8
193.05017	28.0
193.08730	2.7
194.05472	2.7
196.07419	12.3
203.24376	1.2
206.02245	1.6
211.09720	39.6
211.11629	2.1
212.10007	1.7
233.04565	4.7
237.03961	2.9
249.07776	3.7
257.63080	1.3
263.31918	1.3
275.05652	2.9
277.03653	5.9
293.03833	2.0
293.06552	9.6
337.05582	20.5
338.06122	2.8
347.78766	1.4
358.12851	4.0
373.11258	5.8
373.15100	52.8
374.15414	6.1
381.18195	1.5
384.05231	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	373.0562
Annotation	Melinervin
Peak:m/z	Relative Intensity
59.01341	1.7
66.72312	0.3
69.03434	0.6
69.85729	2.0
71.01343	0.6
75.41280	0.4
86.19775	0.4
87.60188	0.5
89.02391	0.4
97.02933	0.9
123.00884	0.4
123.38359	0.3
125.28973	0.3
142.18604	0.4
160.01630	1.6
188.01099	1.7
193.05057	0.5
200.01062	1.2
214.99864	0.6
216.00571	2.1
228.00629	1.0
228.97685	2.1
240.97791	0.7
242.99254	0.7
244.00084	18.4
244.02608	1.0
245.00423	1.6
253.57344	0.4
256.00104	1.5
256.97321	2.1
270.98755	2.6
271.99475	1.5
284.93619	0.8
284.96744	14.4
285.96991	0.9
298.98364	2.5
299.99069	28.2
300.99405	2.3
312.96280	6.7
313.96661	0.8
314.00562	0.4
315.01379	3.9
327.98569	19.3
328.98962	1.8
343.00909	100.0
344.01233	11.4
358.03262	41.4
359.03510	4.8
373.05612	31.8
374.05908	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	373.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74787	2.0
58.00573	5.2
59.01377	94.5
69.03452	68.4
69.86047	11.8
71.01379	59.0
72.99283	2.3
74.90314	2.0
85.02929	7.2
89.02441	86.4
89.60598	2.2
93.03447	18.3
95.01382	3.2
97.02943	100.0
98.03296	2.9
98.20661	2.6
101.02443	31.5
105.03471	6.7
113.02448	24.5
119.03482	32.3
119.04965	1.9
120.03817	2.4
121.02892	3.2
121.06576	2.4
123.04512	23.5
125.71163	2.3
127.84309	2.0
131.03539	3.2
137.44444	2.1
141.01958	5.3
143.03468	7.7
149.04742	4.0
149.06064	51.9
154.37245	2.3
161.04556	6.2
167.07155	10.6
169.45506	2.1
169.91243	2.3
179.05609	10.6
193.05035	84.0
194.05421	6.2
282.85800	2.3
299.52515	2.1
311.75049	2.6
313.12640	2.1
373.11331	32.6
374.11905	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01378	100.0
60.01697	2.6
63.23405	1.0
69.03457	15.0
69.40507	7.7
71.01387	14.5
72.99309	1.9
73.02953	1.1
83.01399	1.2
85.02943	3.4
89.02443	14.2
89.55560	0.9
91.01891	3.0
93.03445	6.2
95.05033	1.4
96.96012	12.3
97.02945	17.4
98.19895	1.9
101.02433	7.9
113.02430	4.2
119.01399	2.1
119.03471	4.4
119.05081	1.1
121.02993	5.2
123.04554	3.5
134.03778	1.1
137.02412	3.5
146.03671	1.5
149.06058	9.0
151.04004	45.7
152.04364	2.5
161.04544	2.5
161.05983	1.2
162.03233	2.4
167.07124	1.8
179.03482	2.3
179.05560	1.8
179.07114	2.6
180.04274	3.7
191.05592	1.8
193.04997	11.0
195.06514	2.5
196.50475	1.0
212.50928	1.2
218.17126	1.3
298.65881	1.1
373.05899	3.0
373.11240	4.4
374.11249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	56.3
61.08688	20.6
61.98828	77.6
66.23598	18.2
69.03445	23.0
69.92918	100.0
82.37782	19.9
89.02449	23.3
97.02950	24.4
97.88347	22.5
121.50520	19.3
123.04592	22.9
323.20343	22.5
327.88287	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95985	23.5
57.27621	20.6
59.01375	100.0
61.98828	26.9
69.77992	41.9
69.78391	65.1
71.01379	27.7
89.02444	41.8
97.02922	25.5
98.20623	30.9
108.56245	22.9
193.04985	28.6
197.11832	28.8
199.23726	21.4
305.12256	28.0
336.23245	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
64.85277	22.2
69.03455	30.6
70.23010	21.4
71.01382	30.6
71.52354	35.0
73.93275	23.2
79.95738	44.7
89.00504	23.0
96.95981	23.3
97.02935	27.9
131.98064	21.5
247.18144	22.9
318.46497	26.3
342.30063	22.2
362.22781	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33731	10.2
55.71057	11.9
59.01378	53.5
65.28278	11.1
69.03450	23.3
69.21773	100.0
71.01353	10.7
71.59916	9.1
89.02457	14.9
97.02953	30.2
101.02422	16.6
126.39270	11.0
191.05609	14.7
294.14142	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	58.7
61.98826	100.0
65.60598	19.4
81.41293	19.2
89.02409	24.5
97.02954	43.2
99.12249	23.3
107.61228	21.8
108.06567	23.9
121.91692	21.6
125.22308	20.5
137.85611	20.8
139.48434	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	371.1344
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
50.44456	0.7
53.55380	0.7
55.01856	1.5
56.40691	0.7
57.03429	0.8
58.00584	1.8
59.01377	100.0
70.51671	2.7
71.01383	26.3
72.99290	2.0
75.22874	0.7
76.75772	0.8
79.60997	0.8
83.01377	1.2
85.02950	7.5
87.00852	1.9
89.02441	30.0
91.05537	1.0
93.03448	2.9
95.01376	1.7
101.02442	18.4
104.80148	0.8
109.02926	0.9
111.99918	0.8
113.02451	9.2
119.03503	13.3
135.04532	8.6
143.03461	1.4
149.04590	1.2
155.03416	1.1
161.02402	1.1
161.04428	1.0
173.04532	3.0
175.02277	0.8
179.03461	1.4
179.05640	1.9
191.05609	32.8
192.05885	1.6
209.53677	1.0
219.13797	0.8
249.14941	0.9
283.13666	2.0
371.13428	46.0
372.13751	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76056	0.2
59.01373	1.2
60.99296	0.3
65.97292	0.2
67.01872	1.2
69.03431	0.4
70.46954	0.9
71.01378	0.9
72.99314	0.4
81.03453	0.4
85.02945	7.2
87.00893	2.1
93.03455	6.9
109.02936	1.1
111.04506	1.7
111.80726	0.3
123.04563	0.4
127.04029	1.9
133.02959	0.4
134.03763	0.3
135.04517	17.7
136.04842	1.1
137.02443	1.6
153.05550	0.4
155.03471	0.5
161.02431	2.7
167.03494	0.3
171.02989	0.6
173.04532	4.7
174.04913	0.3
179.03467	1.3
191.05600	100.0
192.05945	5.1
197.04478	1.1
283.34988	0.3
341.08722	0.4
353.08893	2.7
371.09787	8.1
372.10068	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.3
71.51810	10.1
72.74049	7.7
191.05635	100.0
192.05998	8.6
206.95470	27.2
288.80331	9.3
310.99924	32.9
329.00845	8.4
371.11890	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02744	0.2
59.01364	0.7
67.01869	0.8
71.01366	1.0
81.03481	0.2
85.02455	0.5
85.02945	6.3
87.00877	2.0
93.03456	7.4
98.20693	0.5
99.04513	0.4
102.02272	0.2
109.02934	0.9
111.04485	1.1
127.03973	1.5
133.02960	0.5
135.04521	6.6
136.04903	0.2
137.02464	1.1
143.03493	0.3
150.27307	0.2
155.03569	0.4
161.02414	2.6
173.04529	3.6
179.03477	0.7
186.03181	0.2
191.05595	100.0
192.05959	3.4
222.33849	0.3
346.70697	0.3
353.08682	3.5
354.09378	0.4
371.09814	8.5
372.10242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58923	0.1
57.03446	0.3
59.01372	1.3
60.85464	0.1
60.99287	0.3
67.01891	1.1
69.03453	0.3
69.64553	0.5
71.01373	0.9
72.99310	0.3
73.02937	0.3
74.24342	0.1
77.64221	0.1
78.08778	0.1
81.03473	0.4
83.05028	0.5
85.02946	6.2
87.00869	2.4
93.03454	6.9
94.03785	0.3
99.04533	0.5
101.02422	0.1
107.04966	0.1
109.02962	1.1
111.00888	0.1
111.04508	1.5
113.02458	0.2
123.04531	0.4
127.04008	1.6
129.01950	0.2
133.02966	0.7
134.03751	0.3
135.04521	19.4
136.04872	0.9
137.02440	1.3
143.03557	0.1
153.05580	0.3
155.03514	0.4
161.02426	3.1
162.02759	0.2
167.03499	0.1
171.03021	0.4
173.04536	5.2
174.04958	0.3
179.03491	1.3
181.29010	0.1
191.05600	100.0
192.05939	5.1
197.04539	0.9
206.95442	0.2
211.02420	0.1
233.06639	0.1
341.08667	0.4
353.08746	4.0
354.09088	0.5
371.09778	10.0
372.10095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81195	21.8
59.01374	35.8
59.95055	22.6
61.98829	90.0
65.17490	19.3
69.75193	100.0
77.20738	20.9
102.86314	23.0
128.55191	17.4
261.88641	24.4
278.75763	20.6
296.61807	23.0
369.31314	21.7
369.64297	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
61.38847	0.8
69.54505	3.4
69.54913	1.8
71.01370	1.5
78.95900	19.6
78.96332	1.6
85.02951	2.9
87.00883	1.6
89.02431	1.5
101.02461	1.0
103.82095	0.8
113.02462	1.0
120.95473	1.3
121.75356	0.8
134.96106	2.2
136.94016	16.6
136.94960	3.0
137.02435	1.1
137.94083	0.8
178.94824	4.4
178.96265	13.4
179.96280	0.9
188.94386	3.0
188.98053	3.2
191.05614	12.4
195.01471	2.7
202.95992	0.9
206.95511	92.3
207.95642	8.0
224.96521	5.1
231.03593	5.3
232.97186	7.3
234.94975	1.0
248.96558	1.1
256.96997	1.2
273.04602	8.0
274.04611	1.2
274.98181	2.1
276.41064	0.8
292.98300	10.2
293.98605	2.0
311.00113	100.0
312.00372	13.5
329.01288	42.1
330.01431	5.9
332.97107	1.1
334.96405	1.4
353.01154	2.0
371.02182	2.8
371.12164	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	369.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96371	0.2
62.88102	0.2
67.49304	0.2
71.00906	0.5
77.69651	0.2
78.95902	100.0
95.96168	1.0
96.96958	32.7
97.68483	0.3
103.33877	0.2
116.30106	0.2
152.25052	0.2
249.75774	0.2
295.55984	0.2
369.21970	11.1
370.22354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.0
62.51477	1.0
68.77515	1.0
69.96687	1.2
71.01379	28.5
71.06564	2.5
72.99301	5.6
75.79264	1.2
80.67271	1.1
85.02946	4.8
87.00904	1.5
88.16082	1.1
89.02444	20.5
92.05055	17.5
93.03458	3.4
94.03804	2.7
96.02687	1.2
98.92675	1.1
106.77032	1.1
111.04523	1.4
113.02442	1.7
116.05046	2.2
118.06561	1.9
120.04581	9.6
121.58492	1.2
127.03871	1.2
128.05058	6.5
130.06627	56.7
131.03554	1.5
131.06946	2.7
132.08226	1.4
133.02922	2.9
134.03265	1.9
135.04530	6.9
139.98053	1.1
146.06104	4.8
148.04033	4.3
148.07707	8.3
149.04562	2.3
158.06123	18.1
161.02422	1.7
166.08788	1.5
173.04556	3.7
174.05693	6.2
176.07158	39.0
177.07492	2.3
178.02489	1.3
191.05600	27.3
192.06525	7.5
194.08170	2.7
202.05090	39.9
203.05409	2.7
220.06049	5.6
238.07137	7.7
239.07474	1.3
308.11392	2.7
327.88541	1.2
352.10422	12.1
370.11420	100.0
371.11517	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	369.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
59.01379	3.7
71.01376	2.7
73.02951	1.4
83.01405	0.7
85.02962	1.9
87.00841	0.4
93.03457	0.5
93.93375	0.4
101.02441	3.4
105.03492	0.8
113.02457	1.2
117.03453	0.7
132.02180	1.5
133.02959	30.5
134.03407	1.4
135.04532	5.5
137.02403	0.4
161.02437	100.0
162.02795	5.2
179.03491	2.4
180.03874	0.4
180.72791	0.4
184.78233	0.3
191.05658	1.2
207.08665	0.6
369.11874	57.3
370.12192	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	368.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19623	7.9
59.01382	21.2
61.98830	100.0
64.16150	8.9
71.44026	8.5
80.76635	9.0
85.51814	9.2
93.56501	8.8
101.65635	7.9
105.60718	9.2
114.90569	9.6
191.05638	18.7
208.91454	9.4
229.22890	9.6
290.88855	9.1
318.21432	68.3
350.24213	22.8
368.25232	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89920	15.3
61.98826	100.0
62.78157	10.9
69.09202	13.0
69.80488	49.2
74.02463	14.1
98.19991	27.3
111.94366	13.4
150.38808	12.8
309.15936	13.9
325.07141	14.8
368.24734	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01383	0.7
59.64077	0.6
61.98832	4.0
70.99628	1.0
71.98814	0.6
81.39205	0.5
97.69167	0.6
133.06593	2.4
139.14087	0.6
149.09715	84.0
150.10031	4.4
157.69740	0.6
189.12807	0.6
205.15961	83.6
206.16333	7.1
224.27821	0.6
367.26392	100.0
368.26761	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	367.9006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.3
60.01702	1.4
60.44994	0.9
61.98828	100.0
68.99551	1.8
70.84602	1.8
70.84946	1.1
75.71301	0.7
83.00683	0.8
83.01382	0.7
87.92510	2.4
88.10970	0.9
103.92017	8.4
104.46345	0.8
112.98550	3.2
130.94331	2.2
147.94594	1.7
150.92532	4.0
163.94170	1.2
165.95645	1.8
166.91017	1.8
166.93706	1.0
175.84955	1.5
190.96457	6.1
191.91803	1.0
191.96710	1.2
192.95895	1.4
193.86038	4.7
193.89778	1.3
193.93890	6.8
193.96095	1.6
194.91533	2.0
194.95500	4.5
207.96710	2.3
208.93211	0.8
210.89973	0.8
210.92752	2.5
217.00093	1.2
232.97466	1.8
235.95001	11.0
235.97252	0.9
236.13773	0.8
237.88565	2.2
277.88177	10.8
278.88455	1.0
279.89703	4.9
282.89877	0.9
283.80017	0.9
303.15607	0.8
321.90790	2.3
325.88708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01371	1.5
61.98828	2.1
62.54677	0.4
66.48233	0.6
69.03457	4.2
69.63005	0.5
70.35764	1.5
71.01386	0.7
71.05008	2.8
72.99307	2.9
76.26536	0.5
77.85966	0.5
96.96008	0.6
97.06602	3.5
98.20635	0.7
123.08174	1.0
125.06081	13.7
125.09701	2.6
138.46490	0.5
143.07137	29.6
144.07480	1.2
151.11264	1.9
153.12804	2.7
156.08389	0.4
161.09715	3.5
165.09114	0.5
176.72931	0.5
179.10757	11.0
180.11137	0.6
197.11821	72.6
198.12186	4.2
211.49605	0.5
223.09729	2.1
241.10808	100.0
242.11113	8.3
307.10217	0.6
323.17697	1.5
324.88660	0.5
367.17575	32.4
368.17960	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54632	0.3
50.63503	0.2
57.30255	0.3
59.01375	1.4
59.50123	0.3
67.01882	0.9
69.03445	0.3
70.39492	0.3
71.01361	1.5
81.03437	0.5
83.05016	0.5
85.02948	8.7
85.03468	0.5
87.00869	2.8
93.03453	7.0
99.04497	0.5
109.02932	0.7
111.04493	1.6
113.02425	0.5
127.04006	1.9
134.03738	3.5
144.66843	0.3
160.01610	0.3
171.02911	0.7
173.04523	2.9
175.04076	0.3
191.05597	100.0
192.05949	4.6
193.05078	1.8
228.98283	0.4
367.10281	1.2
367.18622	0.8
379.50116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
56.29828	0.5
59.01376	2.8
60.99298	0.9
67.01891	1.7
71.01376	2.5
71.53381	0.8
71.53763	0.8
74.55873	0.5
77.10573	0.6
79.90245	0.6
81.03474	0.6
85.02937	9.2
87.00884	4.7
90.58946	0.6
93.03458	18.5
95.04947	0.6
99.00821	0.7
99.04456	0.7
100.46204	0.6
102.55930	0.5
109.02941	0.6
111.04495	3.4
112.55487	0.5
127.04019	1.8
134.03754	7.2
135.04482	2.2
145.98878	0.6
149.06058	0.6
155.03546	0.7
159.04114	0.7
161.02425	1.2
163.04051	0.6
172.52614	0.6
173.04546	10.2
179.03508	0.8
191.05605	100.0
192.05940	5.1
193.05074	2.7
202.02785	1.4
203.03003	1.1
204.03192	2.1
204.07948	1.5
205.08595	0.9
340.50592	0.7
367.10141	6.5
368.10480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01381	0.8
71.00406	1.4
71.48037	0.6
73.59459	0.5
85.06590	2.2
105.99298	0.5
199.13452	1.7
257.15872	0.5
261.18405	0.9
279.19650	16.8
280.19989	1.5
288.71426	0.6
347.25909	6.9
348.26254	1.1
349.34372	0.5
363.25439	0.7
365.26941	100.0
366.27277	13.9
384.86395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1029
Annotation	CHEBI:67971
Peak:m/z	Relative Intensity
59.01380	7.2
62.15157	1.0
71.01382	10.2
72.99315	2.1
75.00871	94.7
76.01205	1.4
83.01350	1.0
85.02972	1.8
87.00867	3.8
89.02421	2.7
93.03438	1.3
101.02426	2.1
103.05530	4.2
115.05569	1.5
116.47620	1.0
117.01932	1.6
117.03454	2.1
119.05026	1.3
129.01891	1.6
131.05040	1.5
133.06560	1.1
134.03738	15.4
147.04520	100.0
148.04851	4.8
155.03488	0.9
161.06085	16.6
189.05576	3.6
191.05615	3.3
193.05028	14.8
219.05037	8.9
310.39178	1.0
367.10318	66.1
368.10614	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03432	0.5
57.09118	0.3
59.01376	1.5
60.99294	1.9
67.01889	4.9
69.03449	0.6
69.40905	3.2
69.41226	0.4
71.01374	1.5
81.03458	1.3
83.05009	0.6
85.02939	6.6
87.00874	8.2
93.03454	29.3
94.03789	1.5
98.13406	0.4
98.20645	0.5
99.00893	0.5
111.04536	4.2
117.03453	1.2
125.72881	0.5
127.03988	1.3
129.01945	0.9
134.03737	12.9
135.04100	0.6
137.02454	0.8
149.06100	0.9
155.03571	0.8
160.01706	0.5
166.02248	0.4
171.02841	0.4
173.03113	0.8
173.04535	9.9
175.04022	0.6
191.05602	100.0
192.05963	4.4
193.05061	5.6
194.05421	0.6
222.45663	0.5
367.10318	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0875
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
50.05973	0.4
53.42990	0.4
55.68085	0.4
59.01387	0.7
69.28042	1.5
69.28473	2.2
71.01401	0.4
73.02957	1.0
74.83275	0.4
85.07069	0.4
102.01852	0.4
130.79826	0.4
131.06763	0.5
145.02946	0.7
152.97993	0.3
158.03720	12.7
159.04529	5.5
171.04539	2.0
173.06081	0.5
183.04558	0.4
184.05374	0.5
191.05412	0.5
195.04474	0.6
201.01900	1.0
201.05569	2.0
202.02705	100.0
203.03114	8.4
213.05544	3.0
231.06622	1.4
245.04491	1.1
256.89197	0.4
275.05463	2.0
295.56439	0.4
331.72409	0.4
355.74637	0.4
365.08719	43.6
366.08972	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.70047	0.6
57.03442	1.0
59.01385	10.5
69.71433	3.2
71.01375	8.3
73.02935	3.8
82.12486	0.6
83.01391	3.4
85.02939	5.9
86.00114	1.0
89.02457	1.1
93.12710	0.6
95.01388	0.9
98.20021	0.8
99.00871	1.3
101.02436	8.8
111.00948	0.6
113.02454	3.7
119.03492	0.7
137.49278	0.7
157.12318	2.7
202.02655	0.7
203.12871	6.4
204.70927	0.7
347.17102	1.8
355.72552	0.6
356.76544	0.6
365.18118	100.0
366.18457	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36097	15.4
59.01370	46.4
61.98823	100.0
67.90508	16.3
71.51440	31.5
94.06606	18.0
99.40917	15.4
107.67258	17.6
118.61845	20.1
164.99245	20.0
209.01625	17.7
283.38968	23.0
388.74393	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	364.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15474	2.9
59.01363	3.6
61.98824	13.2
65.50684	2.8
69.03458	7.1
70.48861	6.9
70.49220	5.9
70.96914	2.6
78.28052	2.8
88.58337	3.1
99.87421	2.8
100.25024	2.9
109.82522	2.7
121.02939	6.5
133.03003	3.9
135.04544	21.6
136.04832	11.8
137.02434	16.7
161.02426	7.3
162.02815	5.0
165.01912	100.0
166.02214	8.4
179.03429	15.8
180.03770	6.8
219.92342	3.2
285.04190	4.5
301.03531	34.6
331.11862	3.9
332.12158	19.1
348.63931	3.0
350.37402	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	365.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17620	0.5
59.01387	2.8
69.03439	1.1
71.01368	2.3
71.52132	0.7
72.99298	0.6
73.02966	0.6
78.95893	3.9
81.03455	0.6
85.02943	9.1
87.00876	3.0
89.02457	0.7
93.03469	4.6
96.96030	0.8
96.96960	5.7
98.88009	0.5
108.98725	0.5
109.02922	1.1
111.04501	2.2
113.02435	0.7
115.00336	1.6
127.04008	1.9
133.01433	1.8
137.02383	0.6
142.99854	1.1
147.04497	1.0
148.04123	0.7
159.01103	2.6
160.04015	0.8
173.04523	2.0
179.90736	0.6
191.05600	100.0
192.05949	4.0
217.05380	0.7
222.47339	0.5
277.10968	0.5
294.15012	0.6
347.04327	0.6
365.09073	3.4
365.14462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03447	1.5
58.00576	4.0
59.01378	100.0
60.01719	2.0
61.64431	1.0
67.01881	2.0
69.03448	2.1
69.20039	1.0
71.01379	54.5
71.52455	1.2
72.01713	1.3
72.99308	4.9
73.02934	1.8
83.01375	3.7
83.05010	1.3
85.02950	14.2
87.00867	6.1
89.02445	56.0
90.02705	1.1
93.03452	10.4
95.01366	2.8
96.95984	6.0
98.95596	1.1
99.00850	1.3
99.92531	1.5
101.02444	36.8
107.08660	2.6
107.81062	0.9
109.02942	2.1
111.04500	2.6
113.02438	22.4
115.92055	2.3
116.92861	3.1
119.02677	1.6
119.03503	24.7
119.04993	3.8
119.08667	5.9
120.03871	1.2
123.08184	1.3
123.61433	1.1
135.04543	1.6
137.02431	3.5
143.03484	1.4
149.04556	1.1
155.56000	0.8
161.02446	1.0
161.04585	2.4
163.03996	3.1
163.07649	8.1
164.07901	1.0
171.11772	1.5
173.04585	4.9
174.04797	0.9
179.03493	1.1
179.05573	2.8
181.08647	2.4
191.05621	28.0
192.05855	1.9
229.01485	1.3
248.10469	1.1
251.88722	1.0
277.30975	1.0
281.13980	2.9
295.06006	1.9
331.13974	23.3
332.14252	1.9
335.95258	1.0
343.13925	20.1
344.14310	2.6
361.09460	10.5
361.14987	83.3
361.58798	1.7
362.09390	1.3
362.10751	1.3
362.15393	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	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34407	1.1
59.01375	20.0
69.41583	3.1
69.42013	6.0
88.41686	1.2
107.08674	1.2
279.23270	100.0
280.23633	12.1
316.62390	1.3
361.23596	18.1
362.23840	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	361.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64236	1.3
59.01363	5.1
64.02666	1.3
71.01376	4.5
71.53065	1.5
72.99313	20.4
85.02938	2.2
87.00885	1.7
89.02443	2.8
93.03428	7.6
96.96011	6.4
101.02402	1.7
109.02915	1.7
120.99642	1.4
121.02959	3.3
122.03749	2.4
135.04552	2.5
137.02460	1.4
138.85294	1.2
141.35486	1.2
147.02917	1.4
147.04443	2.0
154.56085	1.4
165.05600	3.6
171.30499	1.3
173.04512	1.7
179.07187	1.8
181.06616	2.1
191.05576	4.0
193.06479	8.0
198.11076	1.4
207.08150	9.9
209.06174	2.7
211.07608	4.1
219.08153	14.8
220.08510	2.9
224.08478	2.1
225.09201	12.5
229.08867	1.4
235.07646	9.2
237.05598	2.8
237.09196	34.0
238.09567	2.8
241.08734	3.5
251.07129	2.0
253.08672	32.2
254.08913	3.2
255.06490	2.6
255.10323	2.9
263.07190	8.2
264.07520	1.6
269.08179	7.3
279.06754	2.0
281.08118	23.0
282.08481	3.0
297.07657	11.2
299.09207	8.1
307.05969	2.5
315.04953	2.4
315.08719	73.7
316.09073	8.0
325.07114	6.6
343.08176	47.0
344.08496	5.6
361.09280	100.0
361.16083	10.0
362.09641	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13721	1.1
57.03436	3.8
59.01379	6.2
65.03963	1.5
70.35194	3.6
71.01381	3.1
72.99295	1.7
78.34426	1.1
78.56428	0.9
83.05035	5.2
85.02961	1.4
87.00867	5.6
89.02451	2.2
93.03445	2.9
95.05053	1.8
96.96011	62.3
98.20554	1.4
98.95595	4.2
99.04528	1.1
101.02446	1.4
109.02972	1.2
109.06618	1.4
111.04520	3.4
111.08186	1.1
113.02450	1.8
120.43020	0.9
121.06608	3.0
123.08167	14.1
124.08509	1.3
137.09781	2.3
139.07678	2.1
145.10263	2.4
153.09117	1.4
163.07588	1.4
169.08821	1.3
169.10233	1.9
171.11781	13.8
181.08781	1.9
189.12793	4.8
191.05626	1.5
198.99939	1.7
201.12866	4.4
207.13928	2.8
219.13951	3.2
237.14969	13.4
273.12518	1.2
281.13892	23.8
281.63858	1.1
282.14178	1.5
291.78775	1.1
361.09622	100.0
361.14813	11.2
362.09991	12.0
362.14459	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0929
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.05653	0.8
52.09895	0.9
59.01369	3.7
71.01362	2.0
72.99304	22.4
75.72694	1.0
85.02936	1.4
93.03426	4.8
96.95985	1.7
98.20686	1.6
98.95609	1.5
101.02393	1.4
109.73260	0.9
111.36302	1.2
115.05641	0.9
121.02916	1.0
134.03738	0.9
135.04535	1.1
147.04488	1.3
163.03844	1.0
164.04637	0.9
165.05627	1.4
176.03902	1.0
181.06587	2.1
191.05634	3.2
193.06577	7.6
207.08121	13.1
208.08424	1.6
209.06146	2.9
211.07683	3.3
219.08125	14.4
220.08540	1.4
223.07668	2.9
224.08258	1.7
225.09180	13.1
226.09550	1.1
235.07605	8.8
236.07843	1.0
237.05605	1.8
237.09183	31.6
238.09538	3.3
240.07799	1.3
241.08601	3.0
251.07079	2.0
253.08658	30.6
254.08969	3.0
255.06548	1.9
255.10210	2.9
256.06805	1.4
261.17032	1.0
263.07120	8.0
269.08194	7.5
272.06799	1.7
279.06564	1.5
281.08173	20.1
282.08478	2.1
287.09009	1.3
297.07614	9.2
298.08038	1.1
299.09219	10.9
300.09573	1.2
307.06134	1.9
307.84512	1.0
315.08728	69.8
316.09055	7.7
317.10309	1.7
325.07101	6.4
343.08203	45.0
344.08478	5.1
361.09259	100.0
362.09586	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	359.1498
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
59.01377	2.8
71.01393	2.3
72.03680	1.8
74.61686	1.8
74.99097	2.3
84.16773	2.0
92.21563	2.1
93.03386	1.9
96.93591	2.1
116.50488	2.3
121.02990	14.9
122.03751	4.4
123.04453	2.1
135.04524	2.7
137.02429	4.4
145.02945	5.6
146.03763	2.4
147.04550	12.2
149.02426	4.0
150.03206	7.3
158.03745	6.5
159.04524	24.3
160.05307	50.1
161.02455	3.1
161.06064	20.5
162.03258	3.1
163.04013	18.1
164.04779	6.2
165.01860	2.3
173.06047	5.6
174.03191	9.5
175.03990	36.6
175.07646	34.3
176.04881	13.2
177.05540	14.4
178.06310	11.6
179.03482	5.2
180.04285	14.1
188.04703	9.0
189.05582	11.6
190.06364	33.7
191.05612	2.4
191.07144	28.9
192.07629	3.4
193.05054	15.8
193.08545	3.5
194.05806	7.0
205.08678	22.0
207.06648	9.0
208.07362	19.6
209.07823	2.2
223.09689	2.7
296.45206	1.9
327.01514	6.8
329.13922	100.0
330.14206	12.3
344.12637	6.6
359.04385	2.6
359.14981	65.3
360.15250	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0977
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.03448	5.9
59.01375	19.3
65.34217	1.0
68.99812	1.5
69.03452	1.6
70.94789	2.7
71.01379	13.4
72.99306	14.3
75.00867	25.5
78.76154	1.0
83.01399	1.4
84.02147	1.2
85.02946	14.1
85.62452	1.1
87.00859	10.2
89.02444	3.5
93.12376	1.3
97.02889	1.2
98.20604	1.4
99.00871	7.9
101.02405	2.5
111.00900	2.3
116.92830	3.7
117.01992	1.3
119.05035	9.3
121.02953	100.0
122.03250	4.0
123.00865	1.2
123.04488	3.7
129.01939	16.1
133.09328	1.1
135.04517	9.5
141.01929	2.2
145.02930	3.1
159.02916	2.6
163.03981	7.2
177.04037	76.6
178.04349	2.7
179.03503	5.0
181.05060	36.0
182.05293	1.3
191.05637	2.6
195.05075	19.4
197.04552	14.2
198.04724	1.5
237.06073	2.6
264.31168	1.3
323.07648	3.7
341.08514	9.0
359.09793	53.1
359.14130	2.7
360.10120	6.6
369.31979	1.2
373.48038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.5
61.98820	0.6
69.03446	0.4
69.28568	1.5
69.29004	1.5
71.01379	0.9
72.99329	0.6
75.00868	0.7
78.57553	0.3
78.95905	0.4
83.01416	0.6
83.01893	0.4
85.02955	0.9
87.00885	0.4
89.02483	0.4
99.00854	0.4
101.02441	0.5
107.04998	0.5
108.79698	0.3
109.02945	2.0
112.52414	0.3
116.92895	1.0
119.05032	0.9
121.02957	7.1
123.00844	0.4
125.02476	0.7
134.03688	1.1
135.04521	100.0
136.04865	4.8
137.02451	3.6
153.01961	0.7
159.02962	0.4
174.99193	0.4
177.04002	1.9
179.03502	0.5
181.05066	3.8
191.05626	1.2
195.05174	0.8
197.04594	1.3
201.02625	0.5
217.00250	3.0
293.04449	0.3
297.09900	1.2
359.09705	4.4
359.13504	0.4
360.10086	0.5
380.24164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
65.30076	0.2
69.45192	1.6
71.01382	0.3
79.95741	1.3
91.73135	0.2
96.96007	100.0
97.33503	0.2
97.95937	0.5
98.95599	0.6
99.92578	3.2
100.93378	0.4
107.39334	0.2
109.06533	0.2
114.86250	0.2
115.92103	1.9
116.92857	7.3
117.92857	0.4
135.04506	0.9
153.05536	0.4
158.22595	0.2
168.95955	0.9
178.02678	0.7
179.03462	0.5
196.03743	1.2
204.59946	0.2
220.99155	0.4
264.97977	0.3
282.99036	0.3
306.38507	0.3
315.01596	0.4
321.39514	0.2
359.07993	21.4
360.08218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21167	0.2
58.28500	0.2
59.01369	0.6
59.22694	0.2
69.03436	0.2
71.01367	0.3
71.52724	0.3
79.95736	1.5
85.02952	0.2
87.00872	0.2
93.03447	0.3
96.96005	100.0
97.95917	0.4
98.95580	0.4
99.92577	2.9
109.02956	0.3
115.91317	0.3
115.92065	2.5
116.92853	7.1
116.93707	0.4
117.92854	0.6
120.99684	0.3
125.43152	0.2
135.04515	1.2
141.09244	0.6
154.09344	0.2
168.95966	1.0
173.04488	0.3
178.02742	0.2
179.03506	0.3
191.05721	1.0
195.94682	0.2
196.03745	0.8
197.08202	0.2
220.99011	0.3
264.98090	0.4
282.99042	0.3
315.01624	0.6
344.12134	0.2
359.07999	21.4
360.08267	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	357.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.6
64.14820	7.1
69.03442	8.0
81.03464	22.8
83.01386	50.4
84.02176	11.4
97.06586	23.0
98.19921	15.3
111.80500	11.0
121.02861	14.1
125.09729	100.0
136.17377	8.5
139.73737	7.6
159.67281	7.9
163.11250	23.9
165.12874	9.5
171.10217	15.3
171.14520	7.5
172.76649	9.0
176.21893	7.7
185.11772	12.7
191.10858	53.3
191.12329	12.0
197.11777	7.6
209.11807	78.0
223.13405	15.5
226.12065	56.9
229.02309	9.3
239.13002	9.8
239.71518	7.8
241.14452	83.3
242.14743	8.4
289.18140	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62339	0.4
59.01377	87.3
60.01715	1.1
61.98822	4.8
62.94665	0.6
64.28791	0.4
66.06090	0.5
68.70694	0.5
71.51466	0.5
72.99309	2.2
73.02931	1.2
90.97153	0.8
114.98869	0.6
117.00443	1.1
118.96597	0.6
132.98277	1.2
156.99962	1.2
157.03569	2.8
159.01476	2.0
161.99019	0.8
174.99243	20.6
175.99597	0.9
201.02541	25.1
202.02728	2.9
203.02205	0.8
215.00450	0.5
215.04115	0.9
217.00287	100.0
217.97942	1.9
218.00371	2.9
233.98494	0.7
253.20676	0.5
256.98511	0.8
273.01660	0.8
274.99600	5.7
275.99664	1.4
315.02576	0.6
317.00616	8.9
318.00769	1.8
323.02902	0.4
359.01639	18.2
360.01892	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01777	1.1
53.33007	1.0
59.01376	100.0
71.01364	8.2
71.54421	1.6
71.54777	1.4
73.02930	2.8
85.02943	4.7
98.43615	1.0
99.00838	1.6
101.02436	3.4
113.02427	3.7
138.77718	1.0
151.04027	1.5
161.04510	4.2
161.05894	1.0
179.07138	1.9
199.13304	1.0
201.62672	1.2
209.11761	3.4
219.37860	1.1
238.63052	1.0
298.98242	1.4
315.18137	1.4
357.02435	2.3
357.13403	3.2
357.22809	9.8
358.23248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74505	5.2
61.98825	100.0
69.84628	5.9
72.47535	4.9
72.65884	5.1
74.55994	5.1
79.94958	5.9
121.02944	12.6
326.97949	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	357.0249
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
51.81482	0.4
69.27299	2.1
69.27730	2.1
79.63426	0.4
82.47483	0.5
117.03425	0.6
121.02947	0.5
125.69079	0.4
135.00916	0.5
135.37576	0.4
139.28870	0.4
143.01299	1.1
171.00861	3.4
179.13965	0.5
187.00154	0.5
199.00381	3.7
213.98875	0.5
214.99864	5.7
225.99046	1.7
226.99823	3.7
242.99327	3.4
254.99310	4.4
258.01688	0.5
269.98080	0.9
270.98837	6.8
271.98953	0.5
298.98309	27.2
299.98676	2.7
312.99771	0.7
326.97784	100.0
327.98135	9.8
339.17651	0.5
340.99350	1.9
342.00137	41.1
343.00449	3.8
357.02496	38.9
358.02786	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	357.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20417	0.3
59.01370	0.8
69.03461	2.7
71.01376	0.5
71.52599	0.3
75.00853	0.3
79.95739	1.8
79.99887	0.2
83.05019	0.4
85.02943	0.6
87.00839	0.4
92.96343	0.3
93.03448	0.5
96.96010	100.0
97.95942	0.4
98.95595	1.2
109.02908	0.5
111.04523	0.4
113.02471	1.5
115.00389	0.5
121.02948	0.8
121.06603	0.3
123.04559	1.4
135.04529	0.5
135.08130	0.4
151.04060	0.3
153.05576	1.4
155.03596	0.3
161.02469	0.4
162.03223	0.8
175.07817	0.3
177.05574	0.9
179.03503	0.3
191.05605	0.7
193.06056	1.2
194.06406	0.8
195.05048	0.6
195.06606	1.5
197.09724	1.5
199.04155	0.3
219.06723	0.2
226.06155	0.4
241.08646	0.4
243.06621	3.0
244.06990	0.5
277.10748	3.0
284.03473	0.3
291.03876	0.3
355.08624	0.4
357.06491	11.0
357.10657	0.4
358.06781	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	355.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.5
62.79457	1.2
66.15310	1.0
69.03455	2.2
70.54178	3.2
78.95876	2.3
83.05033	2.5
97.06583	24.5
97.07204	1.2
97.40357	1.0
98.06882	1.2
117.59960	1.0
137.09785	1.0
146.91335	0.9
149.00093	3.9
160.90807	1.0
163.29002	0.8
165.12859	2.2
171.10300	1.5
175.11324	1.1
186.65253	1.1
191.05630	3.0
192.06001	2.3
193.06035	5.6
193.10718	0.9
193.12326	24.2
194.12596	1.8
205.15993	4.6
221.11835	2.2
222.82317	1.0
225.14944	35.3
226.15266	3.5
238.83621	1.0
253.14413	4.6
257.17609	3.7
277.15262	1.2
305.21191	2.3
313.23932	2.1
323.22382	1.7
355.16901	9.4
355.24878	100.0
356.25195	11.1
375.74356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05699	0.6
59.01375	1.3
61.34797	0.6
66.45737	0.6
69.03454	2.3
70.67880	0.8
70.68216	1.3
71.01400	0.7
75.41356	0.6
83.05019	1.5
89.55914	0.6
95.05000	0.7
97.06590	22.5
111.08117	0.7
125.09698	1.1
137.09705	1.0
149.13365	0.9
154.57027	0.7
165.12828	1.4
175.11253	1.4
177.12801	0.6
180.52872	0.6
183.01193	0.9
185.11647	1.1
191.05562	1.0
193.06093	1.2
193.12325	19.9
194.12665	1.0
197.15529	1.2
221.11821	2.8
225.14951	35.0
226.15280	2.3
236.18835	0.6
240.41768	0.7
253.14514	4.0
254.14940	0.8
257.17624	3.6
305.21243	2.7
306.21323	0.6
323.22321	1.8
337.23807	0.9
355.24875	100.0
356.25281	12.9
361.18402	0.6
372.03290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.80448	0.3
55.93151	0.4
56.78305	0.4
66.05775	0.4
70.37759	1.0
72.15128	0.4
85.02949	0.4
96.96017	2.0
111.29788	0.4
147.08174	0.5
160.35844	0.4
163.11278	100.0
164.11581	5.9
177.09200	75.9
178.09518	5.0
191.05557	3.7
194.05878	0.6
222.08966	0.7
248.27580	0.4
260.26865	0.4
353.21176	98.6
354.21527	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	355.2277
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.51531	1.1
57.36605	1.1
59.01367	1.5
70.07286	6.0
85.02942	2.5
85.89222	1.2
85.97676	1.2
91.27785	1.0
104.95742	1.1
107.04982	1.5
108.41204	1.4
109.02938	3.1
111.00874	2.8
122.03711	10.3
127.07671	2.0
135.04517	31.8
136.01628	1.9
136.04944	1.4
140.27443	1.2
141.92723	1.3
147.08189	3.3
148.05284	1.1
149.06120	2.0
149.09679	10.3
151.07643	3.3
154.02750	2.3
155.04613	1.1
161.09700	8.5
161.56256	1.1
163.07631	4.8
163.11273	62.2
164.08403	18.0
164.11569	2.9
165.09175	9.3
177.09190	76.9
178.09952	28.4
179.10759	95.8
180.11079	6.8
180.13655	1.0
183.10269	1.9
187.11307	2.4
188.60410	1.1
191.05605	1.6
191.10721	14.9
192.11195	1.3
193.06091	2.1
193.08641	8.0
193.57655	1.3
233.05499	1.5
265.12268	1.6
280.14618	4.2
298.15695	55.0
299.16107	9.6
307.17130	2.0
309.22363	2.0
322.19070	1.4
337.21735	48.4
338.22046	9.1
340.20407	89.3
341.20685	12.9
355.22763	100.0
356.23105	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	353.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49450	0.8
62.35282	1.0
69.24112	0.9
71.51877	1.1
79.95735	11.2
85.02917	1.1
90.76569	0.8
93.03455	1.2
94.98080	1.2
95.95233	1.8
96.96007	88.1
102.32209	1.1
103.14902	0.9
122.97585	4.5
136.98770	1.7
183.01157	5.4
191.04027	2.0
191.05615	22.8
192.05824	1.3
196.53067	0.9
353.19986	100.0
354.20285	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	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
67.01879	0.3
69.27769	2.8
71.01383	0.5
72.10253	0.3
79.63469	0.3
81.03455	0.4
83.05051	0.5
85.02946	8.1
86.03266	0.4
86.38086	0.3
87.00890	1.5
93.03443	3.3
98.20659	0.8
99.04489	0.3
109.02917	0.9
111.04507	1.0
127.03986	1.9
133.02945	0.8
135.04530	2.5
161.02428	1.5
171.03009	0.8
173.04500	0.9
179.03488	1.6
186.71642	0.3
191.05595	100.0
192.05910	3.8
239.86340	0.3
353.08655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01367	1.0
67.01887	0.3
68.38314	0.2
69.03452	0.3
69.75307	0.2
71.01366	0.6
73.02967	0.2
78.62570	0.2
81.03457	0.3
82.87734	0.2
83.05007	0.3
85.02943	7.0
87.00879	1.5
93.03461	2.7
94.03820	0.2
98.19938	0.5
109.02949	0.6
111.04491	0.7
124.23266	0.2
127.04009	1.4
129.34604	0.2
133.02927	0.7
134.03741	0.3
135.04515	2.4
155.03468	0.2
161.02422	1.5
171.02945	0.6
173.04507	1.5
175.93394	0.3
179.03481	2.8
189.14867	0.2
191.05597	100.0
192.05949	3.7
353.08676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03432	0.2
59.01358	0.7
60.59948	0.1
65.48670	0.1
67.01865	0.1
69.03464	0.2
71.01373	0.6
73.02950	0.1
81.03433	0.2
83.05026	0.2
85.02948	6.0
87.00871	1.3
93.03459	2.4
93.66385	0.1
99.04497	0.3
109.02955	0.6
111.04519	0.9
122.17477	0.1
127.03986	1.3
128.45547	0.1
133.02927	0.6
134.03726	0.1
135.04514	1.0
136.27200	0.1
137.57607	0.2
138.90143	0.1
144.35530	0.2
155.03442	0.2
161.02431	1.6
171.02989	0.4
173.04535	0.9
179.03473	1.3
191.05600	100.0
192.05934	3.7
200.28320	0.2
283.62268	0.1
353.08783	1.2
354.09436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2537
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
59.01374	1.0
67.01882	1.2
70.84489	1.3
82.06834	0.5
92.69534	0.4
93.03455	0.8
120.04546	0.6
127.04001	1.6
133.02937	2.2
135.04472	0.5
151.53355	0.4
173.04582	0.5
177.01918	1.0
191.05600	1.2
215.05608	1.4
233.15355	0.7
244.83318	0.6
291.14859	0.5
319.22745	11.5
320.23157	1.3
339.54742	0.5
351.16946	2.2
351.25381	100.0
352.25702	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	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.23929	0.1
57.73417	0.1
59.01382	0.8
59.01638	0.2
67.01884	0.2
69.03448	0.2
70.80954	0.1
71.01379	0.5
73.02934	0.2
81.03445	0.3
83.05012	0.3
85.02946	6.7
86.03281	0.2
87.00880	1.3
93.03458	2.4
99.04510	0.4
109.02938	0.6
110.23479	0.1
111.04507	0.7
127.04004	1.8
133.02948	0.5
135.04535	0.6
155.03481	0.2
161.02437	1.7
171.02998	0.4
173.04546	0.7
179.03470	0.6
181.04956	0.1
191.05608	100.0
192.05945	3.9
233.20164	0.1
353.08801	1.4
354.09003	0.2
368.47165	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	353.0876
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
51.79584	0.3
56.11439	0.3
56.93921	0.3
59.01376	1.2
71.01376	0.8
73.02962	0.4
81.03446	0.4
83.05023	0.7
85.02944	8.5
87.00860	1.6
91.05540	0.6
93.03451	4.1
99.04507	0.5
107.05020	1.4
109.02969	1.1
111.04520	2.4
113.02427	0.3
117.03445	0.5
127.04003	1.6
133.02939	1.4
134.03746	6.5
135.04521	56.1
136.04852	2.4
136.44881	0.3
137.02475	0.3
155.03494	1.2
161.02446	3.5
161.22987	0.2
162.02783	0.3
171.02936	0.6
173.04536	3.7
179.03488	51.0
180.03792	2.4
191.05603	100.0
192.05952	4.5
353.08771	9.8
354.09180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25940	0.6
59.01368	1.1
67.01891	33.1
68.99811	5.3
69.03453	0.8
69.39468	1.8
69.39900	2.0
71.01369	1.5
82.89441	0.6
85.02931	0.8
85.07510	0.5
87.00878	1.2
91.05529	0.6
93.03464	4.0
96.96010	0.5
97.02956	1.3
101.02444	6.6
105.03446	1.8
107.04987	0.6
109.02946	2.2
111.04529	1.0
112.01662	1.8
116.05080	0.6
120.04539	7.1
122.02465	1.0
122.06104	2.3
127.04010	56.9
128.04355	1.7
128.32928	0.6
133.02948	10.8
135.04521	5.1
142.06615	2.1
148.04034	10.4
148.07678	0.7
149.04388	0.8
150.03192	0.7
150.05576	3.4
156.08177	2.2
161.02464	0.5
167.06061	0.8
169.07715	10.5
170.08005	0.7
173.04523	4.2
176.07155	0.7
176.94681	0.5
177.01901	3.4
179.03496	1.4
183.09258	1.5
191.05592	8.7
192.05859	0.6
197.10849	2.4
208.07626	0.8
211.12390	1.9
215.05569	4.7
216.56633	0.6
248.19746	0.6
263.15485	0.7
273.10165	0.6
289.13498	2.4
291.15015	13.0
292.15381	1.9
307.08224	0.9
319.14505	11.0
320.14719	1.3
323.17581	3.6
351.08118	2.6
351.17108	100.0
352.17395	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	349.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.6
69.03445	4.4
70.35075	1.0
71.52448	1.3
72.99299	5.2
96.95991	4.2
97.06601	7.7
103.37225	1.1
125.06081	66.4
126.06422	2.8
143.07135	81.7
144.07462	3.7
167.10744	4.0
177.12801	1.2
179.10638	1.4
179.14423	4.0
195.13904	15.5
205.12338	11.6
223.13377	100.0
224.13708	7.7
242.34404	1.1
265.14774	3.4
303.42288	1.1
349.20148	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	351.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09672	0.6
50.77449	0.7
59.01369	0.7
67.01887	58.2
68.02223	1.4
68.99811	1.9
69.23447	1.8
69.23858	4.7
71.01392	1.4
73.88571	0.8
78.95908	0.9
79.05527	0.7
83.64445	0.6
85.02937	1.2
87.00883	0.8
92.18948	0.8
93.03444	6.4
98.19936	1.4
101.02444	2.3
105.03462	2.1
107.05005	1.1
109.02957	2.8
111.04538	1.5
112.01657	2.3
120.04547	27.7
121.06566	1.2
122.06133	8.6
123.04567	1.0
127.04009	100.0
128.04359	2.7
133.02950	13.8
134.06119	1.7
134.38440	0.8
135.04500	4.4
138.76630	0.6
142.06650	3.4
144.08217	1.5
148.04047	42.9
148.07692	2.3
149.04381	2.1
150.03165	1.2
150.05595	15.3
156.08148	1.4
162.05682	0.9
169.06267	1.3
169.07707	23.9
170.07956	0.9
173.04515	5.4
176.07204	1.7
177.01958	4.6
179.03481	1.5
183.09221	1.4
185.71768	0.8
191.05588	10.2
196.46025	0.7
197.10768	1.5
208.07620	1.5
214.10641	0.7
215.05626	5.8
263.15530	2.0
291.15057	10.3
307.08429	1.1
319.14481	37.8
320.14880	5.2
323.17578	9.9
323.21011	1.0
324.17825	1.0
351.07431	3.0
351.17102	83.5
352.17392	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	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01876	2.4
57.03445	3.4
58.00594	4.3
59.01378	100.0
60.01718	1.3
61.51198	0.7
69.03458	0.7
69.31493	6.4
71.01379	70.6
72.01735	1.5
72.99308	4.3
73.02945	7.9
75.00914	1.1
83.01370	3.9
83.07162	0.6
83.79611	0.7
85.02947	17.9
87.00878	3.4
87.04523	1.3
89.02443	73.7
90.02819	1.1
95.01387	4.3
97.02905	0.8
99.00890	3.6
101.02443	54.8
102.02808	1.4
110.54230	0.8
113.02447	28.1
114.02753	0.8
119.03497	30.1
120.03840	1.6
125.02480	0.9
131.03542	2.8
135.04492	0.7
139.79343	0.7
143.03502	6.1
149.04588	2.2
159.02946	1.9
161.04543	15.8
161.05870	1.0
162.04901	0.9
178.68420	0.7
179.05617	9.6
179.19833	0.8
187.13382	10.0
190.02756	1.5
218.02240	1.9
233.04588	1.1
246.01762	2.7
261.04086	3.5
292.07510	0.8
305.02966	3.3
349.18668	12.3
349.22467	1.1
350.18875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1557
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
54.59525	1.9
58.85600	2.2
59.01366	10.5
59.29317	2.3
65.99823	2.1
66.07964	2.3
69.03455	29.7
69.34261	3.1
69.34664	17.4
71.01396	3.1
96.95995	3.1
98.20619	3.5
101.02406	3.5
110.13915	2.2
116.05003	3.3
124.04011	7.4
129.11348	2.4
142.06596	11.9
147.16895	1.9
166.06531	2.1
167.06149	9.3
167.85123	2.1
169.07703	99.4
170.08066	6.6
180.06715	3.7
182.09827	2.7
183.09261	14.4
193.01413	2.7
205.07811	2.5
217.07635	3.2
219.09273	17.4
221.10753	3.6
247.08743	6.7
248.09468	7.4
249.10330	21.3
252.10222	5.8
261.10309	3.1
274.10864	2.5
277.09735	11.6
279.11371	65.3
280.11633	4.5
289.13416	9.5
317.13016	10.4
321.15979	10.2
349.15546	100.0
349.19916	5.0
350.15964	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19733	0.1
59.01372	0.3
61.98826	100.0
62.98534	0.3
63.99256	0.1
70.65491	0.2
107.02691	0.1
115.84193	0.1
138.11803	0.1
147.96132	0.1
162.98463	1.8
163.98515	0.2
164.96335	0.4
182.92952	0.1
203.99934	0.4
205.00084	0.4
205.99748	0.7
206.97427	71.1
207.97534	5.5
208.00423	0.1
238.02800	0.1
284.15536	0.1
348.98508	0.4
349.98877	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	349.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56881	0.4
59.01361	0.5
62.23032	0.3
64.70618	0.4
65.24174	0.3
67.01913	1.0
69.03462	1.6
69.45550	3.0
71.01407	0.4
72.63877	0.4
77.03971	2.0
79.01891	1.5
79.19077	0.3
83.01390	2.0
93.03458	3.3
95.01396	2.7
97.02944	12.8
109.02972	2.2
113.39522	0.4
121.02959	12.6
121.69222	0.5
122.03279	0.4
122.99987	0.8
123.00886	12.7
125.02460	0.6
137.02443	41.3
138.02753	1.3
139.00386	3.3
141.01921	1.4
151.00369	11.7
152.00734	0.5
165.01924	100.0
166.02258	4.8
183.02902	0.5
197.04544	48.6
198.04857	3.0
198.32039	0.4
209.00906	0.9
292.16125	0.5
317.03027	5.4
318.03159	0.7
341.86102	0.4
349.05591	12.8
350.06165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.41656	1.1
55.01866	1.5
57.03448	1.3
58.00584	3.1
59.01379	100.0
61.44414	1.0
67.01866	1.0
71.01379	59.1
72.01734	1.5
72.99298	3.1
73.02930	2.2
83.01368	2.3
85.02951	12.4
87.00872	3.8
89.02441	68.9
90.02772	2.0
90.67708	1.0
94.16543	1.3
95.01394	5.3
98.19904	3.6
101.01801	1.9
101.02443	31.4
108.35582	1.0
113.02448	27.2
119.03507	29.9
131.03503	3.1
133.02931	2.3
135.04480	5.6
143.03493	4.6
149.04602	1.4
161.02405	4.3
161.04570	2.7
167.10777	12.8
173.04395	1.1
179.03468	3.5
179.05612	6.1
191.05579	2.5
196.49138	1.0
219.73520	1.2
347.17239	5.6
348.17490	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03444	2.5
58.00589	3.6
59.01379	100.0
69.03481	1.1
69.28780	4.0
69.29205	7.0
71.01380	52.7
72.01734	1.5
72.15240	1.2
72.27451	1.1
72.99310	3.5
73.02950	1.6
81.26414	1.1
83.01389	2.3
85.02946	10.9
87.00878	2.5
89.02446	55.4
95.01389	4.3
96.96011	1.7
101.02439	34.8
102.02750	1.4
107.46774	1.3
113.02453	20.2
119.03502	28.3
131.03503	2.9
133.02943	2.8
135.04501	9.2
143.03488	3.4
143.18803	1.1
149.04628	1.6
150.92630	1.2
161.02495	6.6
161.04559	2.7
167.10777	40.4
168.11177	1.5
175.44069	1.1
179.03444	3.7
179.05641	4.4
185.11823	2.1
191.05618	7.4
209.82625	1.1
230.78152	1.3
347.17142	43.9
347.21402	2.1
348.17426	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	347.1166
Annotation	PI-103
Peak:m/z	Relative Intensity
52.79469	2.0
55.85927	1.7
57.03437	2.2
58.91801	1.8
59.01392	2.8
59.58658	1.6
61.35172	1.5
73.80035	1.6
79.95732	3.8
82.68080	1.7
95.05034	4.8
96.96008	77.5
98.03747	1.8
109.06596	2.2
111.04510	2.6
111.73371	1.5
113.06124	2.0
137.09688	3.1
139.07674	5.0
155.10764	24.0
168.32700	1.8
191.05685	4.0
205.15939	12.6
267.16058	17.1
329.10529	2.2
347.11649	100.0
348.11963	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11684	0.2
59.01374	4.5
60.01698	0.4
61.98827	100.0
62.88860	0.2
69.78244	0.5
69.78635	0.4
72.08902	0.2
82.46779	0.2
122.49185	0.2
201.02510	0.8
202.02724	2.2
203.02240	2.1
203.99979	45.7
205.00087	3.9
341.05283	0.2
346.00854	0.5
350.04349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88595	8.7
57.03448	24.0
59.01361	25.4
67.01881	11.5
70.68044	24.5
71.01378	93.1
73.02940	11.0
78.95890	26.0
83.01381	28.0
85.02941	17.0
87.00890	15.1
99.00886	35.4
111.00864	71.1
112.98795	15.1
129.01924	67.7
135.07669	10.2
142.99840	100.0
143.23442	10.6
150.15005	11.7
173.00893	44.7
215.96748	9.5
313.49417	10.1
345.20395	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	347.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	24.5
59.01368	24.9
69.74330	47.6
71.01382	100.0
73.02942	17.6
75.12054	7.9
78.95900	32.0
83.01381	33.6
85.02946	29.0
87.00896	11.6
98.19872	15.1
99.00872	47.5
101.02445	11.7
111.00876	53.4
112.98766	15.9
124.98822	10.2
129.01930	66.9
140.27603	8.0
142.99883	97.9
147.10413	9.5
155.26060	8.5
173.00882	36.3
191.05663	13.1
282.47842	9.2
287.02319	11.5
301.41724	9.2
329.01529	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	345.1188
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
54.30109	0.3
58.00586	1.4
59.01377	83.4
60.01710	1.1
62.90624	0.4
67.01894	1.5
67.83234	0.4
69.03453	100.0
70.03789	2.1
71.01378	21.9
71.52461	0.6
72.01746	0.4
72.99313	1.2
73.02940	0.7
83.01392	1.0
85.02946	5.0
85.03411	0.6
87.00889	1.1
89.02443	26.2
90.02746	0.5
93.03468	0.7
93.07076	0.8
95.01394	2.0
95.05022	22.9
96.05357	0.7
101.02439	13.8
101.03111	0.7
102.02866	0.4
103.05550	0.6
106.04252	2.2
111.04514	0.9
111.08141	0.7
113.02446	11.0
114.02785	0.7
119.03496	13.6
119.04917	0.6
121.02985	3.8
121.06589	26.6
122.06898	1.0
123.04516	4.2
131.03503	1.2
139.04033	1.8
139.07646	5.8
143.03517	1.7
149.04532	1.2
161.04590	1.1
165.05559	15.5
166.05928	0.9
167.46658	0.4
179.05615	1.9
183.06615	12.9
184.06976	0.8
191.05646	1.1
209.23535	0.4
345.11884	15.7
346.12204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1552
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01886	1.8
57.03442	0.8
58.00593	3.8
59.01379	100.0
64.11224	0.6
69.50169	4.7
71.01382	50.9
72.99303	3.4
73.02943	2.1
73.15105	0.7
77.44330	0.6
83.01402	2.8
85.02947	11.0
87.00888	1.5
89.02441	53.6
90.02777	0.7
92.63844	0.6
93.31779	0.6
93.39215	0.6
95.01366	3.2
101.02442	34.2
102.02792	1.2
113.02451	20.3
119.03493	24.0
120.80573	0.7
123.04503	4.7
130.90431	0.6
131.03534	2.0
139.48341	0.8
143.03491	2.7
149.04543	1.3
161.04559	1.9
165.09259	1.0
179.05562	2.0
183.10223	1.0
201.74770	0.7
243.71669	0.7
246.98183	0.7
345.15518	84.0
346.15933	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	345.1189
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
55.01867	0.5
55.88634	0.4
57.03437	0.4
58.00584	1.4
59.01377	80.1
60.01402	0.3
60.01713	1.5
65.03955	1.0
67.01907	2.2
69.03452	100.0
70.03792	2.8
71.01379	22.5
71.05023	0.7
72.99303	1.5
73.02926	0.5
83.01383	1.0
85.02956	4.6
87.00854	1.3
88.13939	0.3
89.02438	26.1
90.02785	0.4
93.03465	1.8
93.07080	1.1
95.01389	2.1
95.05018	23.0
96.05365	0.6
98.20615	0.8
101.02435	15.6
103.05526	0.6
106.04248	2.4
111.04507	0.8
111.08108	0.8
113.02443	9.6
115.00256	0.5
119.03500	11.4
119.04973	0.4
121.02961	3.0
121.06590	25.7
122.06908	1.2
123.04523	4.9
130.46233	0.3
131.03485	1.1
139.03993	2.3
139.07648	4.9
143.03458	1.3
148.06490	0.3
149.04466	0.5
161.04457	1.2
165.05559	14.2
166.05856	0.8
166.34615	0.4
173.04485	0.9
179.05534	1.5
183.06616	10.6
184.06921	0.7
191.05562	3.3
192.05859	0.4
227.06850	0.7
236.06802	0.5
255.10103	0.4
345.11951	11.6
346.12369	1.8
346.15616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22006	1.7
53.19652	1.5
55.01888	1.4
57.84803	1.4
58.00600	2.0
59.01378	100.0
65.15137	1.3
67.01888	2.8
69.03452	93.4
69.38645	9.7
70.03785	2.4
71.01376	35.2
72.99319	1.8
75.35450	1.4
77.67057	1.4
85.02940	10.8
87.00883	3.3
89.02438	35.1
93.03461	6.3
95.01355	2.4
95.05021	25.2
95.44363	1.5
96.95997	4.0
98.95586	6.5
100.68082	1.6
101.02438	20.7
106.04254	3.3
107.01392	2.6
109.02972	3.7
111.04531	2.7
113.02454	13.3
119.03489	14.5
119.04986	3.2
119.48801	1.6
120.29114	1.5
120.99656	11.9
121.02954	5.1
121.06591	34.6
122.06912	2.8
123.04516	19.8
125.02461	3.6
135.04535	1.6
139.03999	2.6
139.07657	6.3
149.05963	1.6
161.04543	2.3
163.04036	2.3
165.05574	17.5
167.07127	4.7
169.01370	2.3
171.01862	2.3
173.04520	4.8
179.05626	2.0
183.06635	10.5
191.03555	4.7
191.05585	34.5
192.05956	2.7
193.05974	3.6
197.09708	1.4
306.92102	1.6
311.05035	1.4
317.63535	1.5
326.33554	1.7
345.11838	12.6
345.15402	2.6
346.12033	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	345.1088
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01477	1.3
59.01379	31.4
63.97520	1.3
66.03488	1.3
67.01887	1.2
68.69949	1.2
69.03462	3.5
70.72115	1.5
71.01380	5.7
71.53130	2.8
74.18173	1.2
85.02962	4.6
87.00867	1.9
89.02458	2.6
93.03466	6.1
95.03747	2.4
95.05021	1.4
96.08212	1.5
101.02448	3.0
106.06623	7.9
108.04526	1.7
109.02936	4.8
113.02402	1.6
119.03479	1.5
121.02980	2.8
122.06104	4.1
123.04526	26.9
124.07704	7.3
132.04555	40.8
133.05359	23.5
134.06128	7.0
135.04527	2.1
136.01653	5.4
140.32664	1.2
146.03792	1.3
148.04054	3.4
150.05612	1.7
151.04010	3.9
161.04605	2.9
165.04297	24.4
167.07159	2.3
173.04555	3.7
177.04272	3.9
179.07133	2.0
179.98177	1.5
184.07507	1.9
186.09282	5.4
191.03708	3.1
191.05600	24.3
191.07202	2.5
193.01469	1.7
209.03226	6.6
213.06653	5.0
213.66777	1.3
214.12259	7.8
215.11900	7.3
222.97760	1.4
229.09756	2.5
239.07140	2.0
240.10390	2.1
241.09740	4.5
257.12930	26.9
258.13358	2.9
259.07266	1.7
267.06604	12.3
273.08551	1.3
282.08902	6.9
283.10934	10.6
284.11105	1.9
297.11331	14.4
298.11520	1.6
301.11942	21.6
315.02615	1.4
325.28168	1.3
327.09833	1.8
345.10892	100.0
345.15045	5.0
346.11151	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88408	0.4
55.01873	1.6
59.01381	4.7
71.01381	1.5
71.05021	10.0
71.09375	0.8
78.78526	0.4
78.95874	0.5
83.01388	1.2
85.02958	0.9
93.03456	1.7
95.05029	3.4
97.02945	14.2
99.00877	0.4
102.33437	0.4
111.04504	0.6
113.02454	0.6
116.92853	1.3
123.04523	6.4
135.04546	0.7
139.04007	100.0
140.04344	4.0
151.92856	0.4
153.05507	0.7
161.04521	0.7
163.03996	3.9
165.01878	0.5
168.00591	0.5
173.04561	1.2
176.20534	0.4
181.05089	1.2
183.03055	2.1
191.05598	3.5
207.03052	0.9
213.05159	1.1
214.77338	0.4
227.07205	0.5
236.06776	0.4
255.10068	0.6
326.93311	0.4
345.08295	8.7
346.08795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68105	0.4
59.01378	7.3
69.03456	2.7
70.50189	0.9
70.50561	0.9
71.01384	1.3
72.99316	0.7
81.03448	0.5
83.05007	0.4
85.02946	1.5
87.00858	0.6
89.02451	0.9
93.03455	1.9
95.05037	0.5
101.02437	0.6
102.04736	0.6
103.05532	5.4
105.03445	1.0
108.02203	0.6
109.02949	23.7
110.03254	1.2
111.04541	0.7
113.54070	0.4
119.03550	0.8
119.05009	3.8
120.99655	1.4
121.02950	0.8
121.06561	0.9
123.04533	7.1
135.04527	2.0
137.02419	1.2
139.03951	0.6
139.07599	0.9
146.03740	0.5
147.04518	16.8
148.04893	0.9
149.02434	8.6
155.03355	0.5
161.02357	0.6
163.00751	0.4
163.03990	1.2
165.01932	0.8
169.00160	1.0
173.04555	1.8
175.05664	0.5
176.01132	0.9
179.03479	0.6
182.02167	2.5
183.02971	1.6
184.02483	2.3
189.01971	0.4
191.03494	100.0
191.05472	6.1
192.03822	5.1
221.09662	0.5
229.01283	0.5
229.16493	0.5
235.02449	14.7
236.02715	0.6
283.10901	0.8
285.00446	1.0
317.03003	1.4
327.09149	0.5
345.02328	1.2
345.06265	3.9
345.09964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.3
59.01641	1.3
66.91934	1.1
71.01385	1.1
72.99152	1.1
76.70722	1.2
89.02454	1.2
98.19812	1.9
99.08124	1.4
113.09715	5.4
121.02950	13.3
121.10217	12.1
125.09764	1.6
127.11333	2.1
136.01636	4.5
137.09686	3.1
139.11298	2.3
141.09222	3.9
151.03978	4.7
151.11278	1.2
169.01390	1.5
171.10268	93.6
172.10570	7.2
181.08701	1.5
183.13853	1.9
191.05583	1.5
197.11726	1.2
201.11224	1.1
209.11819	2.2
211.13387	4.3
215.12909	4.2
229.14423	1.7
293.21011	1.4
307.19223	2.7
325.20273	12.6
326.20679	1.6
330.73383	1.0
343.15894	2.6
343.21512	4.3
343.24866	100.0
344.25220	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80935	0.5
53.68538	0.5
55.01475	0.4
57.03417	0.6
59.01381	3.7
59.74787	0.4
69.03442	2.1
69.80631	2.7
70.20851	0.5
71.01379	0.7
73.47919	0.5
82.14799	0.4
83.05017	1.4
91.13666	0.5
97.06591	0.7
98.19941	0.7
99.08155	8.6
100.04186	0.5
104.82841	0.5
113.02480	0.5
121.02945	8.7
121.10208	1.9
125.09702	2.0
130.70253	0.5
137.09692	1.7
139.11345	0.6
141.09187	0.7
151.11249	0.6
164.39832	0.5
165.09132	0.5
165.12898	0.7
169.01465	0.6
171.10258	17.2
172.10585	0.8
175.11241	0.9
179.75049	0.5
185.11938	0.6
191.05632	0.5
193.10538	0.9
193.12318	16.2
194.12686	1.0
209.11780	0.6
211.13393	3.5
225.14934	21.5
226.15244	1.7
243.16022	8.9
244.16344	0.6
293.21237	2.0
311.22260	0.6
343.24863	100.0
344.21344	0.8
344.25214	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	345.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
69.03452	1.5
71.01374	1.5
71.53174	0.5
83.01400	0.4
83.19312	0.4
85.02941	1.0
89.02445	0.7
89.06149	0.4
91.01902	0.5
91.05582	0.4
93.03465	2.5
95.05006	0.5
96.96028	0.6
101.02435	0.8
102.04787	0.7
103.05529	5.5
104.05849	0.5
105.03447	1.0
108.02154	0.5
109.02951	24.7
110.03278	0.8
111.00978	0.5
111.04498	0.7
119.05022	3.9
120.99693	0.9
121.02946	1.2
121.06622	0.5
123.04519	7.1
135.00798	0.4
135.04510	1.8
137.02441	0.8
139.03999	0.7
139.07535	0.6
146.03763	0.5
147.04514	17.3
148.04860	1.2
149.02428	7.9
163.03978	1.3
165.01898	0.7
165.05554	0.6
169.00157	0.8
173.04504	1.5
176.01205	0.9
177.16994	0.4
179.03487	0.5
182.02220	2.9
183.02943	2.2
184.02525	1.4
189.01964	1.0
191.03497	100.0
191.05490	7.0
192.03838	5.6
205.63841	0.5
235.02460	13.2
236.02815	1.0
283.10876	0.7
285.00116	0.5
317.03018	1.1
327.08945	0.7
345.02246	0.8
345.06229	4.0
345.10269	0.9
345.15314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.27274	0.7
57.03432	1.2
59.01374	2.5
61.59844	0.7
69.03449	1.8
69.64948	0.8
70.39496	2.8
71.01406	1.0
82.44395	0.7
83.05022	2.1
97.06566	1.7
99.08160	9.6
110.17860	0.8
121.02950	7.8
121.10237	1.8
125.09698	2.2
137.09702	1.8
152.08643	0.7
171.10257	12.5
172.10606	1.2
175.11336	1.0
183.10257	0.8
193.10545	0.8
193.12317	16.2
194.12599	1.3
197.11903	1.0
211.13402	3.5
215.12865	1.0
216.07487	0.7
225.14951	22.4
226.15341	1.2
243.15968	8.1
293.21387	1.7
311.22336	1.0
325.20303	0.9
325.23880	1.7
343.24850	100.0
344.25204	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03442	1.0
59.01382	2.9
59.40029	0.6
59.64067	0.5
68.70877	0.6
69.03446	1.9
71.01394	0.7
73.27638	0.5
74.77843	0.6
75.13025	0.6
83.05019	1.9
97.06606	0.8
99.08163	8.6
119.66904	0.5
121.02961	4.5
121.10234	2.6
125.09725	1.8
127.11262	1.0
137.09723	1.6
139.11295	0.8
149.09782	0.8
149.91476	0.6
151.04002	1.0
151.11304	0.6
165.12865	0.7
171.10265	19.3
172.10565	1.1
193.12325	14.4
194.12639	0.8
197.15492	0.7
209.11882	0.6
211.13324	4.0
212.13841	0.8
225.14940	19.6
226.15285	1.7
243.15999	6.5
244.16315	1.0
244.18881	0.6
245.89223	0.6
289.18082	6.3
290.18512	1.0
293.21155	2.7
297.02414	0.6
327.98566	1.0
343.24860	100.0
344.25189	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01861	0.7
57.03449	3.2
58.00602	0.6
58.03785	0.6
59.01373	4.7
69.03450	1.6
71.01376	1.7
71.05012	2.3
76.06734	0.6
77.17437	0.6
79.95733	1.3
80.02659	0.6
81.03465	0.5
82.07254	0.5
83.05030	3.0
84.02180	3.0
85.02944	3.2
85.06584	1.1
87.04516	3.8
89.02489	0.6
93.03481	0.8
95.05022	5.4
97.03005	0.7
97.06580	2.5
101.02396	0.7
104.65661	0.6
106.04253	1.5
107.00723	0.6
107.01401	0.6
109.02888	0.5
109.06576	1.4
111.04543	0.7
111.08168	1.1
113.06077	2.1
113.09748	0.6
115.37202	0.5
121.02962	6.0
122.03289	0.8
123.08167	2.0
125.02423	1.1
125.09717	1.4
127.07642	0.6
127.11256	1.6
128.15741	0.5
135.08165	1.8
136.04082	0.7
145.02989	0.9
146.03717	0.8
149.06068	1.2
149.09692	1.3
151.04025	0.6
157.08691	1.4
161.02455	0.7
163.11272	0.9
167.14424	0.8
169.01387	1.7
171.10265	14.6
172.10571	1.0
173.02480	0.8
176.01279	0.7
182.04604	1.0
183.13902	2.6
185.11919	1.5
189.01910	1.5
190.02679	2.2
191.03485	3.6
191.05550	1.6
191.14346	0.7
193.12344	1.0
193.16051	0.8
195.10292	4.5
197.11819	2.4
199.13377	0.8
201.01883	0.6
201.11255	1.3
203.03522	1.1
209.11861	5.3
211.13380	14.6
212.13744	0.9
213.11243	0.6
214.08624	0.6
215.12875	4.1
216.47667	0.6
217.01447	0.9
218.02237	3.5
219.02875	2.4
221.11723	0.8
222.01706	0.8
223.13333	1.3
227.03438	0.7
227.36252	0.7
229.01427	1.6
229.14433	15.5
230.14703	0.8
237.14951	14.3
243.02861	1.0
245.00922	1.0
245.18958	0.7
246.01720	2.9
247.02383	1.5
249.14923	1.8
255.16089	1.0
256.03717	0.7
257.09354	1.2
259.02408	3.2
267.16138	0.9
271.09747	0.7
272.03241	0.7
274.01190	1.8
289.18118	2.2
299.02005	0.7
299.05591	0.8
299.09143	0.7
300.06305	1.1
307.19165	1.5
315.08701	1.3
325.07321	1.2
325.20123	11.4
326.20721	1.0
328.02344	1.0
343.08286	12.2
343.21231	100.0
344.08481	1.9
344.21573	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	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01371	2.9
64.57030	0.9
66.06043	1.0
71.01374	2.0
77.34895	1.0
80.02676	4.3
81.03458	3.9
83.01392	1.0
83.05025	11.6
84.02165	4.4
85.02924	1.4
95.05067	1.3
97.06533	1.1
97.73201	0.9
105.80683	0.9
106.04282	1.0
117.01871	1.0
121.02924	4.6
125.05978	1.0
125.09734	1.7
129.07419	1.1
133.98131	0.8
135.08159	2.1
147.11739	1.1
163.11314	11.1
165.12825	6.0
171.10222	1.2
172.39624	1.0
181.12343	2.2
185.11786	2.4
191.10765	2.5
197.11768	2.8
209.11816	100.0
210.12134	7.1
211.13431	1.7
229.73347	1.5
263.16461	1.2
343.20853	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	343.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.58275	0.3
69.03455	0.3
70.64986	0.6
70.65356	0.6
71.01364	0.4
78.28754	0.3
79.95721	1.9
85.02950	0.8
89.02450	0.3
93.03456	0.9
96.96008	100.0
107.01406	1.4
119.02532	0.3
119.05038	0.3
121.02929	1.6
125.02435	4.0
134.03703	0.7
149.06052	0.8
151.04048	0.3
161.02399	0.4
169.01425	7.1
173.04526	1.1
179.03439	0.5
181.05066	0.5
187.03998	0.3
191.05629	4.7
192.06038	0.3
255.06961	0.4
255.10181	0.3
303.11664	0.3
343.08554	51.6
344.08862	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	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24773	0.8
59.01358	3.3
67.90078	0.9
71.01389	2.6
71.05037	1.3
80.02666	3.3
81.03450	3.9
83.01414	1.5
83.05029	13.3
84.02166	3.4
85.02925	1.6
86.75192	0.9
95.05032	0.9
97.03002	1.3
97.06558	1.5
98.20694	3.1
99.02386	0.9
121.02957	8.6
125.06108	1.7
125.09694	1.9
127.07643	2.3
135.08125	2.7
153.60063	1.0
158.43144	1.3
163.11296	9.9
164.11583	1.0
165.12849	5.6
167.14430	1.0
169.01422	1.2
170.04619	0.9
171.10229	4.2
172.10669	1.2
181.12315	2.3
185.11801	2.9
191.10751	2.8
191.69751	0.9
197.11777	3.0
209.11815	100.0
210.12155	6.7
229.14452	1.4
289.17865	1.1
297.97513	2.0
307.19208	1.6
312.99817	2.7
327.98584	2.2
328.02222	2.0
343.00800	2.5
343.04529	2.1
343.11124	1.2
343.21146	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	343.2122
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
54.15677	0.7
55.90653	0.7
57.03444	0.9
58.00599	1.3
59.01373	5.6
62.13700	0.7
63.71430	0.7
67.01859	1.5
68.99854	0.9
69.21220	6.6
71.01373	1.4
83.05045	1.6
85.02932	0.8
89.02429	1.1
95.01403	1.2
95.05029	0.8
102.22796	0.9
108.02159	1.7
109.02952	9.2
111.00881	3.6
111.08145	1.3
119.08616	0.9
121.02940	8.3
123.00882	12.3
123.04509	2.2
123.08195	1.0
124.01665	10.2
125.02412	0.9
125.09705	4.7
127.11292	5.3
133.06593	1.1
134.03732	2.1
135.08167	1.1
136.01660	54.2
137.02484	9.1
137.09749	1.4
139.11238	1.0
141.09219	12.5
146.03693	0.9
148.05264	2.1
149.06068	5.5
151.04004	60.9
152.04333	3.2
153.09216	2.3
155.10774	1.5
160.05270	2.7
161.02405	1.0
161.06090	1.4
163.04033	1.4
163.07616	1.8
164.04756	1.9
165.05547	15.2
165.09204	1.8
166.00592	0.8
166.06020	1.0
171.10248	7.4
175.07614	7.4
176.08371	3.0
177.09138	0.9
179.07130	1.1
183.10284	1.3
185.06076	0.9
191.05585	1.3
191.07129	4.9
195.10307	1.5
198.12596	1.1
201.11311	20.0
203.07104	2.1
213.11403	0.9
225.11244	0.9
229.14349	1.4
233.50722	1.0
237.05466	0.8
242.72272	0.8
245.19138	2.1
255.15860	1.8
263.20105	5.4
269.97989	1.9
270.01974	0.9
271.17053	1.2
280.07639	1.0
285.00473	0.9
289.18094	2.5
290.18365	0.8
295.09692	3.4
297.97427	2.7
307.19147	5.2
308.19504	1.0
310.12091	2.9
312.99869	5.5
313.10648	1.2
325.14523	4.3
325.20218	9.5
326.20538	2.4
327.12421	1.0
328.02396	5.1
328.09357	1.4
328.13126	17.0
329.13431	2.1
343.04535	2.0
343.15460	57.1
343.21198	100.0
344.15817	8.6
344.21558	11.6
366.64023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0668
Annotation	Theogallin
Peak:m/z	Relative Intensity
54.48967	0.4
59.01363	1.9
69.03460	0.4
70.69456	1.2
71.01395	1.1
76.24482	0.4
81.03463	0.8
83.05027	1.0
85.02949	7.4
87.00879	1.3
89.20182	0.4
93.03450	5.3
96.96017	1.6
107.01385	28.5
108.01747	1.1
109.02982	0.9
111.04550	2.4
123.00873	0.9
124.01665	0.4
125.02442	54.5
126.02759	2.0
127.04014	2.1
128.30089	0.4
139.00325	0.6
141.01936	0.4
148.64827	0.4
155.03471	2.1
169.01414	100.0
170.01749	4.5
173.04527	2.5
191.05602	83.2
192.05937	3.4
326.68320	0.5
343.06622	19.2
344.07092	1.5
344.16302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0456
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
59.01381	1.7
70.28887	1.2
70.29235	2.5
83.04991	0.8
89.59841	0.8
121.02933	2.9
130.00627	0.9
133.25226	0.8
197.99564	3.1
201.39087	0.8
209.11826	9.8
210.03706	0.9
213.99069	1.3
254.99254	2.2
257.00876	2.5
269.95145	1.7
269.98053	35.2
270.98276	2.0
285.00433	18.6
297.00186	1.4
297.97528	64.6
298.97922	4.7
312.99872	99.0
314.00214	8.8
328.02219	100.0
329.02658	8.3
343.04538	54.0
343.21039	1.7
344.04950	6.8
347.48495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0456
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
54.69145	0.5
59.01342	1.4
69.87517	1.0
69.87930	1.8
85.02946	0.8
91.81776	0.5
108.41895	0.5
109.66088	0.6
121.02937	3.1
125.02416	0.5
129.62276	0.6
135.08104	0.6
169.01289	0.7
171.10248	4.8
180.04250	0.6
181.05031	1.9
197.99554	1.5
201.11223	0.8
213.99022	1.5
229.14436	0.8
241.98523	1.8
252.62761	0.6
254.99316	2.4
257.00885	2.2
269.00900	0.6
269.98056	43.5
270.98337	2.1
283.99625	0.7
285.00391	18.0
286.00580	1.6
297.00409	0.7
297.97528	68.2
298.97910	5.4
312.99884	99.6
314.00208	9.9
327.01468	1.2
328.02222	100.0
329.02591	10.5
343.04550	56.9
343.21216	8.1
344.04883	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
62.62318	0.8
69.03447	2.0
71.01363	0.9
71.15672	1.8
81.01813	0.8
83.05010	1.1
84.02166	14.1
89.02468	1.0
97.02934	4.6
97.06589	9.1
99.04516	3.5
119.08652	2.2
125.09694	1.8
127.11327	1.3
135.08188	0.8
137.09680	1.3
154.96153	0.8
165.12885	1.1
171.10255	44.0
172.10577	3.2
175.11147	1.1
189.82314	1.0
193.12306	10.7
211.13394	2.2
217.15250	1.1
221.11877	1.1
225.14919	15.4
226.15224	1.0
243.15869	6.3
253.14445	1.2
253.45624	0.8
291.19571	2.0
309.68076	0.8
315.35211	0.9
323.18280	1.1
341.23282	100.0
342.23611	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19136	0.2
57.44790	0.2
59.01375	85.5
60.01714	0.8
61.98841	0.3
71.01922	0.6
102.31195	0.2
113.04597	0.6
121.02937	1.2
128.58365	0.2
153.46204	0.3
157.03560	7.9
158.03773	0.4
159.01460	1.6
180.10178	0.2
198.71271	0.2
199.95819	0.2
201.02538	100.0
201.89307	0.3
202.02705	9.4
259.90845	0.2
343.03619	2.0
344.03793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.5
59.01370	1.3
62.99274	0.4
69.03446	2.4
71.01381	1.2
71.08334	0.4
78.72847	0.4
83.05022	1.6
84.02166	2.6
85.02905	0.5
89.02447	0.5
95.05035	0.8
97.02981	0.8
97.06591	13.0
99.04524	0.8
113.05222	0.4
121.10255	0.6
125.09710	1.4
135.08212	0.6
137.09674	1.2
149.13315	0.5
151.11284	0.4
152.89526	0.4
165.12836	0.9
171.10262	10.0
175.11247	1.0
177.12761	0.9
183.13890	0.6
185.11852	0.6
193.12323	15.5
194.12683	1.4
197.15392	1.0
204.33322	0.4
211.13420	4.3
221.11826	1.6
225.14951	22.3
226.15288	1.6
243.15973	10.0
244.16287	1.0
253.14450	1.4
291.19669	1.6
305.21170	0.9
323.22263	0.6
341.23297	100.0
342.23669	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48554	2.5
57.64962	2.4
58.00591	7.1
59.01381	37.4
71.01373	21.8
73.02942	11.3
83.30180	2.6
85.02931	9.4
87.00870	2.8
89.02435	23.4
90.55280	2.3
95.01407	2.7
95.05016	31.6
97.06602	5.5
99.08127	4.2
100.01669	6.5
101.02429	11.4
107.04987	3.9
109.06577	6.7
111.08172	4.1
113.02433	7.7
113.06079	5.7
113.09726	18.6
115.07647	15.3
115.62366	2.6
119.03465	8.6
121.06503	3.2
123.08176	6.7
125.05998	2.6
127.07652	31.2
128.06548	2.3
135.67422	2.6
139.07637	18.5
141.09216	9.7
151.07584	7.4
151.11304	13.0
153.12863	3.6
161.04462	4.2
163.11273	4.9
169.08685	27.5
169.12326	6.6
171.10263	100.0
172.10585	8.1
177.92355	2.5
179.05573	8.5
185.11826	14.8
195.10303	4.3
197.11739	5.9
199.13359	4.6
201.11386	6.2
205.98563	2.5
206.75270	2.7
207.10225	13.5
209.11838	8.9
209.74944	3.3
213.11299	10.2
225.11220	17.0
227.12874	22.1
243.12303	3.9
261.18655	5.0
261.53781	2.5
263.16284	2.6
265.18585	2.4
277.18219	4.1
279.19638	13.4
280.19879	3.1
305.17538	11.0
323.18469	6.4
341.10779	8.2
341.19556	11.4
341.23254	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37118	2.1
56.35240	2.1
57.03430	5.1
58.00588	3.4
59.01378	21.5
66.34538	2.1
71.01378	12.5
72.02121	2.7
73.02937	10.6
81.03480	2.1
83.05023	3.4
84.02174	2.9
84.14021	2.0
85.02953	4.4
89.02445	6.8
90.49329	2.0
93.90456	2.1
95.05022	28.0
96.34701	2.2
97.06583	5.3
98.20667	6.6
99.00869	3.5
99.08143	3.9
100.01639	3.0
101.02440	5.5
107.04992	5.7
109.06606	3.9
111.08181	3.4
113.02422	3.1
113.06059	6.6
113.09732	23.0
115.07661	18.6
119.03503	2.3
121.06586	2.2
123.08157	2.7
125.06073	5.7
125.09732	5.1
127.07650	34.9
127.11309	2.9
139.07634	8.8
141.09206	10.1
143.07115	6.1
149.09705	3.2
151.07576	4.4
151.11343	14.7
153.09222	2.7
163.11264	4.1
167.10814	2.7
169.08704	31.9
169.12337	8.0
171.10268	100.0
172.10596	5.8
179.05620	3.0
181.12334	5.8
185.11778	8.5
197.11842	7.2
199.13358	8.5
207.10211	15.4
209.11700	4.0
213.11287	9.2
221.11758	2.7
225.11316	23.1
227.12910	25.3
228.13206	2.4
243.12256	3.5
261.18506	3.0
279.19684	11.2
297.20834	3.9
305.17609	8.2
308.94006	2.3
323.18579	6.3
341.10925	3.9
341.19666	5.5
341.23303	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	341.1968
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
54.55928	1.7
55.01873	2.3
57.03429	5.9
58.00579	2.0
59.01376	32.2
69.03456	2.6
70.55325	6.2
71.01006	2.8
71.01379	38.7
71.05017	20.7
73.02941	7.9
79.44788	1.7
80.02674	2.3
81.03445	6.9
83.01353	1.8
83.05039	11.6
83.20667	1.7
84.02164	4.5
85.02942	15.7
85.06590	2.7
89.02451	21.3
93.03415	3.1
95.05018	35.3
96.05344	2.3
97.02939	4.2
97.06572	7.0
98.23797	1.8
99.04535	5.2
101.02416	8.3
107.05025	6.6
108.02187	4.6
109.02948	2.2
109.06588	6.6
110.03727	5.6
111.04554	2.3
111.08120	4.0
113.02457	6.7
113.06083	11.0
119.03486	7.7
119.04960	2.8
122.03747	5.4
123.04494	3.5
123.08156	4.2
125.06084	20.6
125.09702	8.5
133.01756	2.0
135.08134	5.3
136.05295	3.8
137.06061	8.2
141.09151	2.2
141.12854	3.9
143.03490	2.3
143.68613	1.9
151.07626	17.6
153.09100	2.6
155.07097	2.3
161.04494	4.1
163.11261	6.4
165.12872	11.9
167.46637	1.7
171.10226	7.5
173.70999	2.0
179.05588	6.2
183.13872	2.5
185.11824	49.8
186.12103	2.5
191.10744	2.7
197.11819	46.9
198.12057	2.7
203.10829	2.1
209.11816	100.0
210.12143	8.0
219.10297	2.8
221.11809	13.0
223.13307	3.8
227.12874	23.3
235.13310	7.4
237.14940	2.5
239.12851	13.2
247.13275	3.5
249.15009	4.0
251.12822	14.8
253.14452	7.1
257.13965	3.9
261.18307	2.5
261.84723	1.7
265.14371	14.7
287.16507	4.6
295.19028	2.5
304.95099	1.8
305.17612	24.7
306.17993	3.9
323.18622	43.4
324.18939	2.9
326.07950	2.4
341.06659	2.2
341.10583	10.3
341.19614	51.3
342.19873	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.3
58.00587	2.7
59.01378	21.7
69.16333	2.0
70.50324	2.1
70.50738	3.4
71.01373	16.0
71.05029	2.5
72.02148	2.3
73.02948	12.6
73.95875	1.9
76.72842	1.9
83.05042	2.5
84.02170	3.8
85.02949	4.6
89.02462	10.3
93.04701	2.2
95.05029	28.7
97.06600	8.2
99.00874	2.9
99.08134	5.6
100.01648	7.5
100.82370	2.1
101.02472	3.2
107.05024	4.8
109.06597	3.4
111.08125	2.2
113.02489	2.3
113.06071	5.8
113.09718	19.4
115.07661	15.2
118.96551	2.4
119.03516	3.5
121.06609	2.3
123.08142	2.8
125.09691	5.6
127.07640	36.4
127.11263	3.6
133.06535	3.2
139.07634	9.5
139.11325	4.3
141.09195	10.2
149.09683	4.3
151.07643	7.9
151.11250	14.8
155.10768	4.6
156.64403	2.2
163.11235	5.0
167.10733	7.9
168.77086	1.9
169.08694	28.4
169.12393	5.9
171.10269	100.0
172.10614	3.2
179.05669	3.3
181.12332	3.9
185.11821	32.1
189.09093	3.0
195.10268	7.0
197.11778	5.3
199.13307	3.5
207.10240	15.0
208.10658	2.2
209.11812	8.9
213.11320	31.1
215.12842	4.5
221.11800	3.1
225.11320	19.9
227.12906	17.8
243.12349	3.9
261.18414	3.9
279.19675	12.3
280.20062	2.1
297.20761	2.8
305.17526	9.3
323.18472	7.1
341.06390	2.5
341.10889	5.8
341.19641	8.6
341.23355	12.0
342.23700	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	341.1387
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
59.01288	14.2
59.01623	2.4
61.59148	0.6
69.31766	4.3
71.01289	11.1
71.01718	1.4
72.99256	0.7
83.01263	1.1
85.02844	2.8
87.00791	0.8
89.02340	14.3
89.50921	0.6
91.05479	0.7
96.95901	1.8
98.74635	0.7
101.02333	5.6
113.02449	4.8
117.37897	0.5
119.03513	4.9
119.04908	1.2
125.02412	0.6
131.03415	0.9
133.02835	1.5
134.03748	0.7
135.04501	3.4
143.03436	1.4
145.02969	3.1
151.03899	1.3
161.02284	2.4
161.04489	1.4
167.04871	0.7
179.03384	2.3
179.05600	6.4
179.07051	1.1
180.05708	0.7
181.06508	0.7
195.04819	0.7
196.05180	1.4
197.05943	1.7
209.05975	0.8
210.06779	0.9
213.05484	0.7
217.04831	0.6
222.06761	1.5
224.04770	6.2
224.08252	1.5
225.05353	2.4
225.09164	1.5
227.03499	0.6
227.10648	1.7
235.07593	1.2
237.05527	0.8
237.08932	0.6
238.06331	8.2
239.06836	1.3
239.10675	2.4
240.84460	0.6
241.04968	2.4
241.08702	3.1
243.09985	0.6
251.03267	0.8
251.07133	1.3
252.04144	1.7
252.07925	0.8
253.04614	0.7
253.08696	2.0
254.09380	2.6
255.10207	8.8
256.10663	1.1
265.08594	1.6
266.05820	4.4
266.08600	0.7
267.03040	0.9
267.06046	1.2
267.10303	1.7
268.10519	0.7
269.04517	3.4
269.11752	3.8
270.05118	1.9
270.12543	3.3
279.06598	1.0
281.07712	0.7
282.01617	1.4
282.08911	2.5
283.09729	51.4
284.10092	4.0
293.08005	0.7
294.08902	2.2
295.02530	1.0
295.09772	4.7
296.10547	2.8
297.04019	33.5
297.11282	2.1
298.04468	3.6
298.07516	0.6
298.08820	0.8
298.12070	5.4
309.11346	2.8
310.08569	1.4
310.12015	2.8
311.09225	100.0
312.09576	10.9
325.10770	15.0
326.11548	72.8
327.11917	7.8
341.03006	10.4
341.13962	72.6
342.03168	1.3
342.14279	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23795	0.8
57.03451	5.3
59.01381	14.8
69.25481	6.5
69.25893	2.4
71.01376	15.1
72.99295	2.4
75.00872	39.9
83.01397	1.8
84.02160	1.7
85.02952	15.2
87.00872	10.4
89.02432	5.5
97.02976	1.4
98.20687	2.2
99.00872	7.7
101.02430	2.9
111.00916	2.4
113.70888	1.2
119.05023	37.2
120.73592	1.0
129.01936	22.3
133.06558	2.5
141.01909	1.3
145.02956	10.2
147.21112	0.9
158.00946	1.1
159.02963	9.7
161.06105	2.2
163.04002	42.1
164.04361	3.6
170.18700	1.0
177.04039	58.1
178.04341	1.7
195.05089	100.0
196.05380	4.1
205.05112	2.3
265.07074	2.0
275.24274	1.0
323.07690	2.6
341.08734	41.8
342.08963	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	341.1085
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01868	0.7
57.03444	1.5
58.00589	3.0
59.01376	100.0
60.01714	0.8
64.94167	0.5
69.47282	3.2
71.01379	67.3
72.01704	1.1
72.99309	4.0
73.02949	2.3
75.00861	0.5
83.01374	2.5
85.02952	9.3
87.00883	3.9
89.02441	81.6
90.02784	1.3
95.01392	4.2
96.15779	0.4
97.02937	0.4
99.00874	0.8
101.02438	30.4
102.02798	0.8
113.02448	24.7
114.02772	0.6
117.01891	0.4
119.03497	29.3
120.03836	0.7
125.02476	1.2
131.03502	4.4
143.03485	7.2
147.74963	0.4
149.04552	3.0
161.04538	9.2
162.04810	0.7
179.05602	30.2
180.05960	1.0
204.97240	0.5
286.70441	0.4
332.05090	0.4
341.10870	30.4
342.11282	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	341.1085
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01849	1.2
57.03450	1.1
58.00586	3.6
59.01378	100.0
69.46490	5.7
71.01379	68.0
72.01736	1.3
72.40211	0.9
72.99304	2.4
73.02922	0.9
83.01390	1.5
85.02957	9.2
87.00867	3.6
89.02441	83.4
90.56955	0.8
95.01388	3.9
101.02444	30.1
113.02451	27.0
119.03501	30.2
122.38444	1.0
125.02391	0.9
131.03497	4.2
143.03482	7.4
149.04510	3.2
161.04539	10.3
168.38936	0.9
179.05605	32.1
205.99406	0.8
316.49075	0.9
316.52652	1.1
341.10858	37.6
342.11316	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
58.00583	3.5
59.01376	100.0
60.01721	1.2
64.46560	0.9
65.26025	0.8
65.91340	0.9
69.03474	1.0
70.92007	1.6
71.01378	68.8
72.01718	1.1
72.99297	3.7
73.02941	2.1
83.01381	1.9
85.02956	10.4
87.00859	3.3
89.02443	80.4
90.02733	1.2
95.01377	4.2
101.02443	31.0
108.25751	1.0
109.96611	1.1
113.02445	24.1
116.80334	0.8
119.03493	26.6
119.05013	3.4
129.89354	0.9
131.03496	4.9
143.03531	6.0
149.04523	2.0
161.04558	8.5
161.80853	1.0
163.04022	5.4
177.04237	0.9
179.05594	26.7
195.05128	1.2
221.06613	1.2
250.01741	1.0
331.89166	1.0
341.10880	25.5
342.11234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
74.19749	0.3
96.64242	0.4
147.08165	0.4
163.11293	100.0
164.11615	5.5
183.01260	0.7
313.97968	0.3
339.20044	1.5
339.23276	40.2
340.23593	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	339.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55395	0.5
59.01379	100.0
60.01708	1.4
66.75164	0.4
71.01395	0.4
71.52293	0.8
140.91772	0.5
169.20222	0.5
183.01292	2.1
197.62758	0.5
279.23312	6.9
280.23718	0.8
297.24329	41.2
298.24747	4.9
325.02795	0.6
339.20135	3.3
339.25537	11.3
340.20255	0.5
340.25827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05731	0.2
59.01373	1.2
62.77950	0.2
69.39050	0.5
69.39462	0.8
71.01384	0.7
79.27689	0.2
79.95735	1.7
89.02451	1.0
96.96008	100.0
97.95962	0.6
98.95586	2.3
101.02402	0.3
113.02415	0.3
119.03522	0.3
133.02916	0.2
135.04488	1.0
135.33331	0.2
136.44865	0.2
138.54820	0.2
161.02423	0.5
177.01935	0.3
177.05544	0.3
179.03493	1.1
179.05692	0.4
221.04607	0.3
251.05583	0.5
281.06329	0.3
341.06979	10.4
342.07230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
59.01369	9.0
63.64734	0.9
71.01385	11.1
72.99303	3.3
73.41515	0.9
75.00866	20.6
75.01257	1.9
85.02946	14.4
87.00877	2.8
89.02456	5.4
93.03446	1.4
97.02974	1.2
98.20691	1.9
99.00874	10.7
101.02432	1.8
111.00896	2.0
113.02428	1.4
119.05022	67.8
120.05373	2.3
128.73634	0.9
129.00978	1.0
129.01947	20.7
130.02286	1.8
135.04495	2.7
135.26999	0.9
141.01920	2.1
145.02896	1.1
145.04710	0.9
159.02991	6.6
161.02458	2.3
163.04002	100.0
164.04333	4.0
177.01849	1.7
177.02393	1.4
177.04048	17.2
178.02255	1.5
179.03519	3.0
179.05705	1.1
195.05084	88.1
196.05426	1.9
341.08682	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	341.0875
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
52.52058	1.6
57.03440	4.3
59.01378	17.9
60.17719	1.5
62.57535	1.4
64.57783	1.5
71.01369	17.8
72.99312	3.4
75.00871	32.8
85.02946	9.8
87.00881	2.6
88.10119	1.6
89.02415	10.5
99.00879	7.6
101.02420	4.3
105.37661	1.5
111.00894	3.1
113.02444	2.6
119.05025	46.2
120.05346	1.7
129.01944	22.8
133.02937	6.1
134.03728	3.9
135.04524	59.4
136.04861	3.1
141.01898	3.2
152.66774	1.5
159.03017	7.5
159.04265	1.9
161.02435	19.0
161.05943	1.6
163.04002	72.4
164.04279	3.6
177.03998	14.2
177.05531	3.7
179.03491	65.3
180.03833	3.8
189.05533	2.0
195.05089	100.0
196.05411	3.1
221.04527	5.0
233.04532	3.2
251.05508	12.0
281.06711	7.5
289.20538	1.6
341.08615	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74686	0.8
57.03441	3.7
59.01380	8.5
69.81561	3.5
70.14140	0.8
71.01381	11.5
72.99304	4.1
73.02961	1.2
75.00869	34.4
77.68105	0.8
83.01402	0.9
85.02948	11.7
87.00874	4.0
89.02449	3.4
93.79376	0.9
99.00866	10.0
101.02422	1.2
111.00869	1.8
119.05022	58.1
120.05361	2.3
129.01942	25.4
135.04504	4.0
141.01949	2.1
145.02956	1.7
159.02989	8.5
161.02426	1.8
163.04002	73.4
164.04333	3.2
177.04028	13.0
179.03476	4.5
195.05087	100.0
196.05453	2.9
216.47179	1.0
251.05797	1.0
258.96542	0.9
273.10101	1.0
284.16962	1.1
291.56259	1.0
341.08759	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	339.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97927	1.3
57.03436	3.7
59.01375	8.8
69.03431	3.0
69.69875	8.2
71.01392	1.4
80.02667	1.9
81.03443	5.1
83.01400	1.6
93.03451	2.0
95.05033	3.1
97.02939	4.9
97.06561	2.7
98.20615	3.3
102.72695	1.4
109.06589	2.4
121.06581	3.1
123.04521	5.6
125.09711	16.2
135.08125	1.8
137.09682	7.3
139.07632	4.2
141.12862	2.5
149.06053	2.5
155.10727	1.7
159.08096	1.5
161.09738	1.5
163.07578	2.4
163.11272	8.3
164.08359	1.5
165.09175	1.4
165.12773	1.9
171.10237	1.9
177.12779	1.4
179.10797	2.6
181.12279	2.3
185.11778	13.8
191.10809	4.3
191.14410	15.5
203.06270	1.4
207.10242	10.4
209.11824	3.2
217.15953	2.0
225.11336	6.7
227.18083	1.6
239.12903	3.9
241.14473	9.2
242.14656	1.8
245.19101	33.5
246.19495	3.0
247.17154	1.9
263.20270	2.2
270.11325	1.6
271.16928	4.3
289.18097	100.0
290.18503	11.3
297.01370	1.4
303.19620	1.5
307.19159	31.1
308.19604	2.6
321.20700	15.2
322.20868	2.3
324.19434	5.7
339.17648	3.4
339.21750	61.6
340.22192	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	339.1995
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
67.86073	0.3
70.17853	0.7
70.18227	0.6
76.53329	0.3
79.95757	1.3
88.30910	0.3
107.37995	0.3
119.05016	1.5
170.00426	1.9
183.01196	59.4
184.01630	3.7
197.02768	4.3
198.03502	0.6
211.04414	0.6
216.00931	1.2
225.05807	0.8
239.07524	0.9
254.09598	0.3
267.10800	0.4
339.19962	100.0
340.20294	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	339.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18159	1.7
52.32187	1.9
53.79409	1.8
59.01370	8.5
71.01382	3.3
71.05010	2.5
76.93971	1.7
81.03460	6.8
83.01372	11.5
83.05022	3.7
84.02161	2.2
91.89968	2.0
95.05024	2.8
97.02946	2.1
97.06593	4.4
100.55994	1.8
107.05060	3.3
109.06678	1.9
119.08665	3.7
121.06579	8.3
123.08163	4.9
125.06084	4.2
125.09719	61.5
126.10052	3.9
127.07658	4.4
135.08089	3.6
137.09721	4.6
139.07619	4.1
149.06152	2.7
163.11281	5.6
165.12888	3.3
167.10759	7.8
171.10277	14.6
181.12297	3.7
185.11845	9.4
191.10805	12.4
197.11929	2.0
199.13371	7.1
207.10237	9.6
209.11803	16.2
219.13914	2.8
219.73875	1.8
223.13300	5.8
226.12090	12.3
237.11386	6.3
239.12852	25.6
240.13211	2.5
241.14435	100.0
242.14786	9.8
265.18201	2.7
270.01730	6.1
277.18079	2.8
282.01630	9.9
289.18106	20.7
290.18500	2.6
303.19778	2.7
306.18216	5.8
321.20673	70.9
322.21024	7.9
339.05045	35.0
339.21997	11.2
340.05319	4.6
351.09766	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
69.03455	0.4
71.01379	0.6
72.99307	3.3
83.05029	0.5
84.37885	0.4
91.28471	0.3
92.49998	0.3
97.06583	5.0
98.19864	1.2
121.02978	0.4
123.04456	0.4
125.06081	20.2
126.06445	0.4
127.76532	0.3
143.07135	67.5
144.07501	2.4
151.11278	15.1
152.11644	1.0
155.10823	0.4
167.10747	0.4
169.12334	100.0
170.12665	6.2
183.01091	0.5
195.10269	0.8
213.11313	89.5
214.11647	5.7
230.09593	0.4
230.11545	0.4
237.14952	2.9
238.15497	0.4
245.07738	0.4
272.64774	0.4
294.18158	0.4
321.20663	3.0
339.18130	7.8
339.21744	1.5
340.18298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35642	0.5
50.46612	0.5
53.13161	0.5
58.29202	0.4
59.01388	0.8
66.95468	0.5
68.36933	0.6
72.99298	3.3
97.06578	4.8
98.20670	1.9
125.06077	18.8
126.06419	0.9
132.75136	0.5
143.07135	65.5
144.07513	2.3
151.11273	14.0
169.12329	100.0
170.12656	5.6
185.73582	0.6
195.10269	0.8
213.11307	86.2
214.11644	5.2
229.50151	0.8
233.15479	0.6
237.14987	1.3
238.81569	0.5
321.20724	1.7
339.18094	8.3
339.21893	0.7
340.18353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.5
66.20834	0.8
69.11778	0.8
69.16644	6.6
69.17051	1.9
73.02945	100.0
74.03284	1.0
78.51947	0.8
98.19857	1.8
102.38188	1.1
125.09742	4.5
136.36407	0.9
183.01208	1.8
185.42439	0.9
187.09767	4.9
187.66962	0.8
190.08611	1.0
207.80029	0.8
219.36227	0.8
221.15451	65.1
222.15775	5.9
237.37764	0.9
265.14389	3.7
339.04889	1.1
339.16309	2.8
353.46024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2381
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
53.13165	0.3
59.01353	0.8
59.34864	0.3
71.01360	0.3
79.44527	0.3
80.83380	0.3
85.06592	2.1
107.05012	0.3
127.11269	0.4
153.12962	0.3
157.28139	0.3
157.98854	0.3
163.03972	0.9
163.11240	0.3
165.12854	0.7
171.10269	9.4
172.10602	0.9
191.05638	1.8
229.09665	0.4
233.15523	0.8
251.16507	15.8
252.16805	1.0
319.22739	6.7
319.25891	0.3
320.23062	0.7
335.22311	1.1
337.23831	100.0
338.24179	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
68.58131	0.1
69.41854	0.7
69.42266	0.5
79.95738	1.0
96.96008	100.0
97.95940	0.4
146.22014	0.2
155.93224	0.2
177.01941	0.4
177.23283	0.2
183.09224	0.2
191.05653	0.3
258.36203	0.2
297.57782	0.2
339.05383	7.1
340.05737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
51.17578	0.4
58.74418	0.4
59.01378	2.1
65.00320	1.4
65.03967	1.8
67.01891	0.8
68.99820	0.5
70.08675	1.4
71.01380	0.6
73.64135	0.3
77.19701	0.3
80.02667	0.9
83.03783	0.4
83.04482	0.4
85.18244	0.4
87.16811	0.3
91.01894	50.7
92.02237	1.8
95.05032	0.4
108.02178	1.3
109.02950	14.7
110.03316	0.5
121.02932	1.3
123.04520	0.7
125.54700	0.4
133.02940	1.2
135.00882	100.0
136.01138	3.9
137.02419	3.0
149.02440	1.3
153.01932	59.3
154.02298	2.6
161.02437	1.9
163.03949	0.6
177.01903	1.2
177.05502	0.7
185.11966	0.5
189.01939	1.4
192.71114	0.4
208.21535	0.4
279.05099	0.7
280.71811	0.4
297.06046	1.0
339.07172	24.3
340.07639	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	337.2017
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03433	3.7
59.01369	19.8
62.45403	1.9
67.01883	3.7
68.16660	2.5
69.03432	4.3
69.26041	20.5
71.01404	4.3
81.03468	5.6
83.05032	7.8
85.02983	4.1
92.77718	2.2
93.03449	9.7
95.05032	7.5
95.43378	2.1
95.47482	2.3
96.96006	2.2
97.02959	4.0
97.06602	7.5
97.45779	2.1
98.20667	5.0
107.05039	46.3
108.79691	2.2
109.02962	2.3
109.06586	5.2
111.04487	3.7
111.08169	4.1
119.05006	10.9
121.02937	2.6
121.06532	3.0
123.04509	17.9
123.08140	8.9
125.02421	4.8
125.06062	13.2
125.09715	26.8
135.08171	23.8
137.06085	11.6
147.04523	4.5
149.09720	2.6
151.07684	3.3
153.08049	3.9
153.09213	32.8
161.06082	2.7
161.09663	3.4
163.03967	11.2
163.07527	2.9
163.11293	7.4
165.09236	2.8
173.04482	3.2
173.09732	2.3
175.07622	4.1
176.08380	6.2
185.11842	19.7
189.12787	4.9
191.05588	36.8
191.10762	18.3
197.11848	6.2
207.10303	6.6
208.30896	2.3
209.11748	3.2
217.12343	8.7
223.13364	3.4
225.11406	2.4
239.12906	3.5
243.17529	34.4
261.18469	6.7
267.12323	7.2
269.15161	2.7
287.16522	37.8
288.16791	4.6
293.21335	5.8
305.17569	38.0
306.18048	3.1
310.98804	2.2
319.19125	100.0
320.19467	9.4
322.17929	15.1
337.16458	4.3
337.20233	49.6
337.24188	2.7
338.20483	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	337.202
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
59.01375	28.1
65.37074	4.9
67.01900	6.3
69.03459	5.0
69.52329	4.5
69.86150	10.7
69.86560	17.6
70.72873	4.1
71.01398	6.4
81.03442	7.5
83.01412	7.5
84.02147	5.7
85.02948	10.1
93.03426	11.7
95.05039	6.3
96.96013	5.4
97.02956	9.4
97.06561	6.4
104.89626	4.5
107.05034	42.7
109.06567	4.7
110.03768	5.0
111.00879	10.6
111.04537	6.7
111.08161	10.4
113.06098	6.8
119.05061	12.7
123.04478	9.4
123.08171	6.1
125.02473	7.9
125.06064	20.1
125.09721	34.9
127.07692	7.9
135.08154	11.2
139.07639	6.6
147.08188	5.1
153.09184	28.8
161.09633	4.8
163.04001	12.3
163.11275	19.9
165.09236	6.4
165.12587	4.3
191.05582	47.9
191.10733	26.0
204.32433	4.7
207.10234	36.4
209.11868	11.6
211.85950	5.8
217.12222	7.3
223.13322	5.5
225.14973	7.3
239.12866	16.0
241.14467	10.9
243.17624	4.9
268.10254	4.8
268.13132	100.0
269.13486	6.7
287.16443	6.2
293.21158	5.1
305.17569	10.3
319.19199	62.8
319.22821	14.3
320.19266	7.5
337.21127	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
59.01139	2.6
59.01381	21.0
69.03452	3.8
69.67458	14.0
77.99165	2.0
79.05522	2.8
81.03462	5.3
83.05043	5.6
85.02966	4.2
93.03457	10.8
95.05023	9.2
97.02930	4.3
97.06592	8.3
98.20627	4.8
107.04303	4.4
107.05025	52.8
109.03000	3.6
109.06576	7.6
111.04527	7.2
119.05031	12.1
120.05830	4.6
121.02967	3.8
123.04532	18.6
123.08183	3.7
125.02444	5.7
125.06080	20.3
125.09718	28.6
135.08142	29.5
137.06088	15.9
141.12828	3.1
147.04512	7.9
147.08147	3.0
149.05994	2.8
149.09843	2.9
151.11278	2.6
153.09212	34.3
161.06042	3.5
161.09792	2.7
163.04005	11.8
163.11282	10.0
165.09189	2.3
173.04597	4.7
175.07671	3.2
176.08453	8.5
178.09981	3.0
185.11823	26.8
189.09222	2.8
189.12856	4.3
191.05626	33.6
191.10724	19.1
197.11871	6.7
207.10219	7.2
209.11717	3.4
211.67744	3.2
217.12315	9.9
223.13307	4.0
225.11259	3.7
237.80463	2.2
243.17487	38.7
243.61819	2.3
244.17828	5.2
245.15451	2.8
246.60184	2.7
261.18607	6.9
263.63596	2.3
267.12317	12.4
269.15378	5.2
275.12958	2.5
287.16504	36.9
288.16971	4.5
293.21246	2.9
304.16537	2.6
305.17590	38.4
306.18048	5.1
319.19171	100.0
319.22733	16.7
320.19611	14.6
322.17719	18.7
337.20215	35.6
337.23874	6.4
338.20398	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0926
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.18966	0.5
60.30729	0.6
66.33466	0.6
67.01893	0.7
79.26565	0.6
83.05012	1.8
85.02943	3.3
87.00897	1.0
90.00566	0.6
93.03445	7.7
95.45927	0.7
98.20710	1.1
98.37411	0.6
111.04505	3.0
119.05022	60.5
120.05358	2.4
127.03988	1.4
155.03514	2.7
163.04001	100.0
164.04376	4.1
173.04512	4.6
191.05597	36.0
192.06023	1.5
223.29875	0.7
337.09357	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	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.50468	0.2
55.70313	0.3
59.01356	0.5
64.40099	0.3
67.01881	0.5
69.62279	0.6
69.62687	1.1
71.01379	0.8
72.51927	0.3
81.03455	0.3
83.05019	0.3
85.02946	5.8
87.00867	1.6
93.03455	5.2
93.37321	0.2
98.19952	0.5
109.02966	0.4
111.04530	1.1
119.05012	1.5
127.03987	1.1
135.15491	0.3
145.02942	0.6
159.64215	0.2
163.04005	1.9
169.91628	0.3
171.02942	0.4
173.04582	2.5
173.46356	0.2
177.46815	0.3
191.05611	100.0
192.05988	3.5
271.68655	0.3
337.09262	2.7
338.09692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67016	0.5
58.40041	0.6
59.01380	1.4
60.99298	1.3
64.46960	0.4
66.13999	0.5
67.01882	3.5
69.03439	0.6
69.48595	1.1
69.49006	2.5
71.01373	1.2
71.46557	0.5
81.03465	1.1
83.05029	0.8
85.02960	5.1
87.00877	5.7
93.03456	23.2
94.03812	1.1
99.00881	0.6
101.64429	0.5
109.02979	0.8
111.04513	3.3
113.02431	0.7
119.05022	8.7
127.03966	1.1
131.80498	0.5
145.02956	1.5
149.06079	0.8
155.03508	1.0
163.04004	8.5
170.73976	0.5
173.04533	12.7
191.05602	100.0
192.05960	4.3
213.53223	0.5
222.68129	0.6
233.79947	0.6
282.80487	0.5
337.09244	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26091	0.3
59.01380	1.0
60.42165	0.2
60.99300	0.4
67.01884	1.0
69.03452	0.4
69.36996	1.9
69.37331	0.4
71.01363	0.8
81.03436	0.4
83.05004	0.3
85.02943	8.0
87.00874	2.6
93.03452	6.0
94.03775	0.4
99.04523	0.4
109.02948	0.6
111.04520	1.5
119.05016	2.0
125.62457	0.2
127.04015	2.1
137.02502	0.2
145.02954	1.0
163.04013	2.2
171.03009	0.5
173.04536	2.4
174.53230	0.2
186.99136	0.2
191.05600	100.0
192.05942	4.7
337.09232	1.8
338.13358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52246	0.6
55.01860	0.6
57.03443	0.8
58.00588	1.1
59.01378	18.3
69.43703	4.2
71.01381	14.3
72.09659	0.5
72.99307	1.7
76.56790	0.6
85.02948	2.9
87.00865	0.8
89.01927	1.1
89.02436	12.6
93.03439	1.5
94.06620	0.6
101.02431	2.1
108.04494	0.8
113.02404	1.3
122.02494	0.7
126.57249	0.6
127.11292	7.8
128.11636	0.5
131.03517	0.7
133.02960	3.3
134.03435	0.5
135.04535	3.5
139.11317	0.7
140.12357	0.5
149.04547	0.9
155.10796	3.6
157.12331	29.8
158.12671	2.0
161.02441	7.9
162.02788	1.0
164.23201	0.5
166.05064	4.2
171.13805	0.8
173.04504	0.9
179.03477	2.5
185.11792	3.0
187.13403	1.0
199.13370	0.9
203.12863	100.0
204.13237	5.8
209.22162	0.6
210.04010	3.2
245.13734	0.6
291.05307	0.5
314.28580	0.5
335.07809	3.8
335.17081	89.5
336.17441	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27173	0.6
59.01362	3.6
61.65815	0.7
63.01416	0.6
68.13655	0.7
68.99804	2.9
69.03448	1.6
69.79724	2.9
71.01375	4.7
73.02942	1.9
75.00862	1.3
78.95893	6.0
83.01384	2.0
85.02957	5.2
87.00871	2.4
89.02436	1.9
95.01389	2.2
95.54236	0.7
96.96954	11.4
99.00861	5.3
101.02434	3.0
111.00849	1.5
113.02454	6.4
113.99583	20.5
115.00397	5.3
127.00338	2.5
129.01901	2.6
131.03462	0.9
139.00352	1.1
149.04521	0.9
157.01410	4.7
157.33560	0.6
160.05609	0.6
169.01396	1.6
174.01685	15.9
175.02396	1.4
277.05600	19.4
278.06079	1.3
280.35510	0.8
315.03214	0.6
337.07733	100.0
338.08017	8.1
357.41138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.31231	0.3
55.08211	0.4
55.35757	0.3
57.03431	0.5
59.01368	1.2
60.99306	0.8
63.91614	0.4
67.01889	2.6
69.03442	0.9
71.01369	0.8
71.29536	0.9
72.19585	0.4
83.05023	0.5
85.02942	3.9
87.00876	4.0
93.03450	16.8
94.03788	0.8
99.04494	0.3
100.86311	0.4
109.02923	0.4
111.04524	3.0
119.05015	6.7
120.05394	0.3
127.03989	1.2
129.01913	0.6
145.02963	1.2
155.03506	0.5
163.04004	6.8
165.17766	0.4
173.04529	9.7
177.05234	0.4
191.05597	100.0
192.05956	3.7
251.76514	0.4
252.42223	0.4
274.18890	0.4
337.09241	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01381	0.8
60.48179	0.4
63.69799	0.3
65.03961	0.5
71.01384	0.8
71.75871	0.4
73.02950	1.4
78.61794	0.3
81.03450	0.8
83.05019	1.7
85.02964	0.4
91.05509	0.5
93.03455	12.4
107.05033	1.7
109.02966	0.5
111.04509	4.1
117.03468	0.5
132.02164	0.5
133.02956	8.2
134.03764	5.5
135.04520	100.0
135.15421	0.4
136.04842	4.7
137.02440	6.2
142.06599	2.9
149.85378	0.4
155.03468	2.0
157.12276	0.4
158.06174	0.5
159.39220	0.4
161.02432	23.0
162.02811	1.7
173.04544	1.6
179.03490	87.4
180.03812	4.5
186.05618	1.3
203.12856	1.7
204.06616	3.0
335.04291	1.1
335.07697	24.1
335.17007	1.4
336.07397	1.9
336.10934	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	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.85098	0.5
65.04012	0.6
70.68315	1.2
71.01385	0.5
73.02949	1.9
81.03463	0.8
83.05024	1.4
88.53532	0.5
93.03458	12.4
95.74722	0.5
107.05045	2.0
111.04520	3.4
117.03436	0.9
133.02954	8.4
134.03743	5.4
135.04520	100.0
136.04869	3.2
137.02440	4.4
155.03506	1.4
161.02423	22.6
173.04518	2.0
179.03488	82.3
180.03819	3.8
186.04330	0.5
213.23042	0.5
214.24693	0.5
235.25850	0.5
291.08694	0.7
335.07684	21.7
336.07925	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	335.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
65.03948	0.8
69.18430	2.8
69.18867	1.9
69.70216	0.5
71.01388	0.9
73.02960	1.5
81.03480	0.6
83.05036	2.1
85.02953	0.6
93.03458	11.5
94.03792	0.8
99.00870	0.7
99.70504	0.6
107.05028	1.9
111.04517	4.2
111.08154	1.0
116.34548	0.6
133.02951	8.1
134.03749	5.7
135.04518	100.0
136.04836	4.0
137.02444	5.6
155.03503	2.0
161.02431	23.4
161.03777	1.1
162.02774	1.3
167.02719	0.5
173.04521	2.1
179.03488	82.7
180.03824	4.0
210.49428	0.5
335.07675	24.1
336.08047	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	335.1399
Annotation	Naucleamide C
Peak:m/z	Relative Intensity
50.36248	0.7
59.01370	2.0
66.03478	1.3
69.03438	5.5
71.01397	1.4
71.05042	1.0
75.73114	0.8
93.03423	1.8
94.02994	3.1
95.05032	3.1
104.05041	1.4
106.97379	0.8
109.89510	0.8
114.21330	0.8
116.05051	1.6
118.06633	1.4
120.08190	0.9
121.06581	1.8
122.06120	4.3
130.06593	0.9
133.02962	2.2
135.04504	2.3
136.07678	1.8
141.98618	1.0
142.06596	5.6
148.07678	53.9
149.08040	2.6
161.02440	4.2
167.06128	3.1
169.07701	54.8
170.08044	2.7
179.03554	1.0
183.09261	3.7
186.01489	0.8
200.90898	0.7
219.09273	3.2
221.10817	11.8
233.10916	1.6
235.12300	1.0
247.12396	2.1
261.10257	1.2
262.11359	1.0
263.15521	19.9
264.15817	2.2
265.09778	1.0
273.14072	2.0
289.13364	1.9
291.15012	100.0
292.15378	12.7
335.07681	2.7
335.13965	8.3
335.17859	1.3
335.22333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55002	4.6
72.69064	0.6
78.03484	0.8
88.77753	0.5
92.05054	2.2
94.06628	4.9
102.20125	0.6
103.04280	0.9
104.05049	2.6
105.03436	2.6
106.05939	0.9
106.06623	12.4
107.06919	0.6
108.04562	1.9
110.50809	0.7
120.04545	6.5
121.05402	1.4
122.02474	0.8
122.06116	15.6
123.03268	2.5
124.07623	0.7
131.03816	1.1
132.04541	9.0
134.06071	0.6
138.05602	24.4
150.05598	3.2
156.53148	0.6
166.05054	1.1
174.12862	0.7
189.07845	0.7
200.06064	0.8
213.06467	0.8
215.11848	1.5
217.07416	1.1
221.37631	0.7
231.09030	0.9
231.11287	1.2
232.57916	0.7
241.09825	2.5
243.11473	1.7
259.10977	0.9
271.11084	1.2
276.49823	0.6
289.11926	100.0
290.12158	8.9
333.10846	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	335.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97743	0.4
59.01387	0.5
66.47833	0.4
67.01862	0.6
71.01369	0.9
71.53072	0.8
96.33913	0.4
104.33216	0.4
110.71906	0.5
111.00873	1.7
123.00928	0.6
124.01675	1.8
124.07661	0.4
125.59035	0.5
127.00366	1.1
128.18318	0.4
132.75763	0.4
133.02928	0.8
135.04533	1.8
136.98795	1.4
139.00385	2.2
140.01169	3.2
161.02455	3.6
168.00639	5.3
173.04588	1.0
179.03493	0.5
183.02971	100.0
184.03279	4.5
191.99165	0.5
250.31694	0.4
335.04175	0.6
335.07806	2.0
335.11713	0.6
335.17517	0.9
336.08447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	Cedrin
Peak:m/z	Relative Intensity
50.83101	0.3
56.90012	0.3
59.01367	0.4
59.43183	0.3
67.01887	0.4
68.26640	0.3
69.03438	1.5
69.37300	1.1
69.37724	1.3
71.01353	0.4
74.89317	0.3
77.03965	1.9
79.01880	0.4
83.01373	2.3
89.69548	0.3
93.03455	3.3
95.01375	1.1
97.02942	10.7
98.03319	0.4
98.20718	0.6
101.02413	0.6
109.02954	2.6
121.02954	11.2
123.00867	1.0
135.00890	0.4
136.59084	0.3
137.02440	39.1
138.02769	1.1
161.02504	0.5
163.00356	0.9
165.01918	100.0
166.02248	5.3
191.05643	0.3
197.04536	39.5
198.04887	1.9
208.26843	0.3
209.00900	1.6
223.02390	0.5
237.78665	0.4
257.04565	0.4
297.15146	0.3
301.03497	6.0
302.03931	0.3
322.62326	0.3
333.06277	2.4
351.50314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48540	0.2
58.49733	0.3
59.01377	0.3
65.00291	0.2
67.01899	0.4
68.99825	0.4
69.03464	1.2
69.34122	0.2
69.43915	1.7
71.01368	0.4
77.03963	1.9
79.01884	0.5
83.01386	1.8
85.02934	0.3
91.29845	0.2
93.03467	3.5
94.20534	0.2
95.01373	1.2
97.02947	11.1
107.01363	0.3
109.02944	2.5
121.02956	10.0
121.08595	0.2
122.03278	0.6
123.00890	1.0
125.02409	0.3
133.02972	0.4
135.00844	0.3
135.04500	0.5
137.02443	35.6
138.02750	1.3
139.03975	0.3
141.01917	0.3
156.23579	0.3
161.02473	0.3
163.00322	1.1
164.01154	0.3
165.01924	100.0
166.02257	4.1
191.05638	0.5
197.04544	37.9
198.04875	1.5
209.00891	0.8
223.02501	0.6
243.52798	0.2
262.48853	0.3
301.03488	6.4
302.03928	0.4
333.06070	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	333.0591
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.47282	0.2
62.96390	0.4
71.51015	0.3
78.95900	100.0
80.96473	0.3
96.96046	2.1
96.96954	18.5
113.06152	0.2
118.36658	0.2
123.52282	0.2
150.98051	1.0
152.99576	80.6
153.99931	1.4
171.00633	8.1
174.83629	0.2
187.94995	0.2
215.03128	0.2
223.00148	0.9
230.77562	0.2
241.01167	39.5
242.01535	1.3
242.91298	0.2
243.01729	0.4
259.02249	2.3
260.02560	0.2
270.71069	0.2
288.30881	0.2
333.05887	90.7
334.06262	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	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.7
57.03442	4.9
58.00594	4.6
59.01380	97.1
60.01706	1.7
69.03447	2.3
69.63821	9.7
71.01383	100.0
72.01720	1.9
72.99304	6.7
73.02944	25.6
82.02997	4.9
83.01405	11.7
85.02953	36.0
86.40691	1.5
87.00892	3.0
89.02448	50.5
93.03467	3.1
93.59396	1.7
95.01372	8.5
99.00853	8.6
101.02445	66.9
107.08672	2.5
109.02953	31.6
111.00809	1.6
113.02459	39.4
119.03510	26.8
121.02950	10.4
125.02443	8.0
125.09736	3.4
131.03564	2.6
135.04572	9.9
136.04134	2.2
143.03522	3.6
153.02031	3.1
159.02989	4.0
161.04567	9.2
163.04031	3.2
165.01935	7.2
168.00641	1.9
168.04333	2.7
169.01407	7.1
179.03459	5.7
200.92587	1.8
269.09427	1.6
269.83942	1.8
287.05743	6.0
287.10324	12.9
287.15115	2.3
308.16214	2.0
331.14001	78.9
332.14340	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1395
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
57.03448	3.8
58.00568	2.6
59.01377	40.0
68.70068	1.5
69.03433	6.4
69.76727	1.4
70.42696	1.4
71.01012	1.8
71.01382	26.4
71.52776	2.3
72.99300	7.6
73.54309	1.4
79.19464	1.4
80.96547	1.7
83.01340	2.1
85.02968	3.4
89.02444	16.3
93.03422	2.1
99.00883	1.6
101.02422	3.9
107.08677	23.3
109.02928	8.7
110.03243	1.7
111.04509	3.7
113.02438	3.6
116.95323	1.5
119.03459	1.9
119.08623	2.8
121.02941	2.7
123.08145	2.5
124.01501	1.5
125.02431	7.7
135.04492	3.0
150.65059	1.8
151.07658	2.0
153.01971	3.8
161.04491	1.7
163.07617	2.6
165.01933	2.6
169.01384	11.0
169.91650	1.5
174.06462	1.6
179.03464	2.6
181.08694	38.6
182.08943	3.3
187.03970	4.9
187.51633	1.5
191.05591	2.6
199.09743	92.4
200.10086	4.5
243.06821	4.1
243.11208	2.0
244.61113	1.7
287.01935	1.8
287.05527	2.1
287.10281	2.7
331.07578	3.6
331.13950	100.0
332.14368	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	331.1185
Annotation	Monocillin III
Peak:m/z	Relative Intensity
59.01062	0.5
61.84708	0.5
69.03453	23.2
69.33972	4.7
70.03789	0.7
80.72437	0.5
83.01402	0.5
91.05550	0.9
91.99101	0.5
95.05014	2.2
105.03450	0.8
105.97289	0.6
106.36642	0.6
107.05032	2.3
117.03460	0.8
125.78957	0.6
133.02966	12.7
134.03763	6.3
135.04520	100.0
136.04851	4.2
137.02458	2.0
148.05301	0.9
151.07625	1.5
161.02431	37.8
162.02785	2.0
165.01950	3.8
173.06076	0.6
179.03487	81.9
180.03870	3.3
243.41040	0.5
261.07617	5.7
283.96085	0.5
313.10880	2.7
331.11838	39.7
332.12204	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	331.1186
Annotation	Monocillin III
Peak:m/z	Relative Intensity
60.25904	0.4
67.01878	0.5
69.03451	24.3
70.03773	0.5
71.13918	0.8
73.23893	0.5
95.05045	1.7
99.04481	0.5
100.32861	0.5
105.03436	0.5
107.05022	2.2
117.03456	0.7
125.06091	0.8
133.02948	13.3
134.03726	7.3
135.04520	100.0
136.04823	3.9
137.02431	0.7
146.54489	0.6
148.05338	0.9
151.07626	1.9
161.02431	37.8
161.15291	0.5
162.02797	2.1
179.03487	84.0
180.03847	4.5
250.01378	0.5
261.07684	5.7
313.10852	2.7
331.11859	34.5
332.12085	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	331.1186
Annotation	Monocillin III
Peak:m/z	Relative Intensity
58.29028	0.6
59.01375	0.7
61.04744	0.6
61.71549	0.5
69.03454	21.7
69.39024	4.4
70.03800	0.8
72.78687	0.5
74.72693	0.5
82.80527	0.6
95.05030	2.2
96.36337	0.6
97.74255	0.6
107.05022	2.6
109.02937	0.6
133.02953	11.5
134.03728	7.6
135.04523	100.0
136.04839	4.1
137.02396	1.1
139.03917	0.7
139.51147	0.5
148.05380	1.5
151.07611	1.8
161.02435	38.8
162.02831	1.7
179.03490	81.0
180.03821	4.1
233.08258	0.8
261.07678	7.6
265.97662	0.7
287.09229	1.1
313.10889	2.8
331.11847	35.2
332.12094	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	331.1187
Annotation	Monocillin III
Peak:m/z	Relative Intensity
57.03463	0.5
59.01376	4.5
62.46415	0.3
67.01897	0.5
69.03455	21.4
70.03794	0.5
71.01380	7.0
73.02944	1.7
83.01395	0.7
83.22041	0.3
85.02960	2.6
87.00806	0.3
89.02425	1.9
89.03974	0.4
93.03429	0.4
93.06083	0.3
95.01434	0.7
95.05015	3.1
96.96016	0.7
98.20720	0.5
99.00852	0.5
99.04525	0.4
101.02439	4.7
101.27995	0.3
105.03426	0.6
107.05029	2.2
109.02911	0.9
112.98789	0.3
113.02423	2.2
117.03448	0.9
119.03507	0.8
120.99622	0.5
121.02919	0.7
125.02442	0.6
132.02191	0.7
133.01921	0.6
133.02950	13.2
134.03749	6.7
135.04524	100.0
136.04851	4.3
137.02409	1.0
139.03986	0.4
143.03510	0.5
148.05307	0.8
151.07631	2.0
153.01970	0.6
161.02441	36.0
161.04387	2.5
162.02814	1.8
169.01352	0.4
169.08714	0.3
173.06020	0.4
179.03490	78.8
180.03830	3.8
181.05104	0.6
191.05626	0.4
221.86746	0.3
228.48969	0.3
231.02904	0.4
256.97174	0.5
261.07654	5.5
262.07953	0.3
271.99500	0.4
285.07739	0.6
287.09232	0.9
300.10086	0.3
303.12445	0.6
313.10904	3.0
314.11340	0.5
315.98529	0.8
320.57516	0.4
331.00925	1.1
331.11850	41.9
331.18076	1.1
332.08588	0.5
332.12265	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	331.1186
Annotation	Monocillin III
Peak:m/z	Relative Intensity
59.01387	0.8
67.01881	0.7
69.03456	26.1
69.38351	2.8
69.38789	2.0
70.03765	0.7
71.01394	0.8
84.07602	0.7
89.02397	0.6
94.26070	0.7
95.05029	2.0
98.20615	1.0
99.04505	0.7
107.05029	2.0
109.03011	0.7
123.00806	0.6
133.02959	10.1
133.44441	0.8
134.03772	7.9
135.04524	100.0
136.04869	4.3
137.02444	1.3
148.05299	1.0
151.07668	2.1
153.01909	0.9
161.02441	37.0
162.02786	1.7
173.05986	0.7
179.03503	85.4
180.03877	3.1
243.07030	0.7
261.07642	9.0
287.09308	1.1
303.12485	0.8
313.10867	2.3
331.11841	38.9
332.12186	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	331.1186
Annotation	Monocillin III
Peak:m/z	Relative Intensity
54.25259	0.4
59.01389	0.5
67.01893	0.6
69.03452	18.5
71.01970	1.0
91.05527	0.6
92.77654	0.5
95.05012	2.9
107.05064	2.8
117.03455	0.7
121.02935	0.6
125.06062	0.6
132.02141	0.7
133.02948	14.5
134.03761	7.4
135.04518	100.0
136.04846	4.2
137.02423	0.9
148.05270	1.0
150.28961	0.4
151.07640	2.5
161.02432	41.4
162.02768	2.2
179.03485	74.0
180.03816	3.4
261.07721	3.1
287.09396	1.0
313.10800	3.4
331.11838	55.6
332.12186	6.3
340.54245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03435	2.7
59.48381	0.7
60.09986	0.6
62.86023	0.5
65.00339	0.7
70.27345	1.5
70.27721	1.3
71.01368	2.0
80.75254	0.5
81.03451	2.3
82.00576	0.7
83.01385	10.0
85.02948	2.5
89.02416	0.7
92.25888	0.6
101.02445	1.3
107.01395	1.5
110.00098	7.7
112.72935	0.6
113.02431	2.5
120.38741	0.6
124.01633	0.6
125.02442	45.8
126.02779	1.0
131.03484	0.9
137.99580	8.5
139.00369	2.8
140.01093	1.1
151.00349	10.9
152.01147	3.1
153.01927	100.0
154.02480	3.7
155.03477	2.3
161.04562	1.4
166.02711	0.9
167.03474	10.0
168.04266	51.8
169.01419	44.4
169.05023	9.0
170.01764	1.2
179.03523	0.8
181.01291	0.7
181.04974	0.7
191.03603	0.9
196.03786	1.0
209.04524	1.1
211.06049	0.8
331.06705	13.0
331.10422	3.5
332.07071	0.8
332.13879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.64160	0.5
53.77390	0.5
57.03447	3.1
59.01366	0.8
65.00313	1.3
69.15960	4.7
71.01377	1.5
73.02926	0.8
81.03458	2.3
82.00580	0.5
83.01381	10.6
85.02960	2.7
87.00927	0.5
101.02436	1.5
107.01379	1.9
109.02902	0.5
110.00095	6.7
113.02426	2.8
113.71712	0.5
118.52887	0.5
123.00855	0.5
124.01647	1.5
125.02444	45.6
126.02772	1.3
137.02370	0.5
137.99580	8.5
138.03230	0.7
139.00331	2.2
149.02438	0.8
151.00357	11.8
151.03979	0.6
152.01143	2.6
153.01927	100.0
154.02473	4.0
155.03470	1.3
161.04567	0.6
166.02657	1.1
167.03490	9.9
168.04271	50.4
169.01413	47.5
169.05020	8.5
170.01770	2.2
170.05630	0.5
179.03491	1.0
181.01482	0.5
185.62645	0.5
196.03719	0.8
209.04564	1.7
211.05998	0.6
221.04532	0.5
258.42615	0.5
331.06693	12.7
331.10364	3.4
332.07043	1.1
332.13696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.77340	0.5
59.01374	1.9
67.52864	0.6
69.03439	1.5
69.67149	0.5
71.01398	0.6
71.21174	1.0
79.01887	0.6
81.03432	0.7
89.02427	0.6
97.02922	1.0
107.01386	1.3
123.00884	1.9
124.01669	5.6
125.02445	67.4
126.02782	2.2
134.52852	0.6
139.00354	1.0
150.54416	0.5
151.00365	2.1
153.01892	0.9
168.00639	10.7
169.01418	100.0
170.01767	2.6
196.70612	0.5
211.02493	1.9
271.04593	2.6
280.97739	0.5
331.06686	61.9
332.07092	4.4
339.00699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.29934	0.7
69.03437	2.8
72.64406	0.7
79.01902	1.5
81.03455	2.1
83.01365	1.7
95.01347	1.6
97.02942	2.4
107.01392	2.5
109.03050	0.7
123.00889	4.7
124.00748	1.1
124.01646	16.3
125.02444	68.5
126.02766	2.5
139.00339	0.9
149.98360	1.6
149.99574	30.8
151.00203	2.9
160.08482	0.7
167.03473	0.9
168.00627	71.6
169.01385	9.9
170.01758	1.0
188.70427	0.7
228.94797	0.7
231.70546	0.7
313.05652	8.4
331.06683	100.0
332.07111	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03445	1.1
59.01361	3.5
64.86311	0.8
66.81521	0.7
69.03455	1.8
70.70904	1.9
71.01364	2.4
75.26042	0.8
79.01896	1.5
81.03450	1.4
83.01364	5.3
95.01377	1.5
95.53020	0.7
97.02919	2.3
101.02448	0.9
107.01364	2.8
111.00884	1.2
116.61355	0.8
123.00869	4.8
124.01653	9.3
125.02438	92.4
126.02763	2.4
139.00336	2.1
149.99571	8.0
151.00360	9.4
167.03490	1.6
168.00638	26.4
169.01416	100.0
170.01735	3.4
181.79935	0.9
211.02510	2.8
271.04550	1.4
313.05679	1.8
331.06674	89.0
332.07004	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03441	0.9
58.20430	0.3
59.01364	1.1
65.29922	0.3
67.49311	0.3
71.05023	0.6
71.53735	0.4
83.05016	0.8
85.02950	0.7
97.06579	0.9
99.08151	6.6
99.42628	0.3
106.20972	0.3
125.09709	1.6
127.11293	3.9
129.09250	0.6
137.09642	0.4
139.11292	6.5
155.10725	0.9
155.14467	0.7
157.12349	0.4
165.12814	1.0
167.10757	0.4
167.14409	1.8
171.10255	15.1
172.10538	1.0
183.13896	5.7
193.12300	2.1
199.13329	0.6
201.11325	0.5
209.11832	1.0
211.13379	32.2
212.13693	2.3
217.30936	0.4
229.14421	15.9
230.14806	1.2
293.21140	0.9
309.20734	0.4
311.22189	1.1
329.23297	100.0
330.23642	10.8
349.77643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21766	0.5
54.10102	0.4
59.01370	4.1
59.61927	0.5
67.01867	1.0
69.22620	3.9
70.20517	0.5
71.01371	2.7
75.31969	0.5
79.01899	0.7
84.33501	0.4
85.02953	0.7
89.02446	2.2
91.96255	0.5
93.03468	3.6
94.03796	0.5
94.05631	0.4
95.01385	1.3
97.02930	0.9
98.19812	1.0
101.02420	2.7
105.03473	1.4
108.02192	0.6
109.02946	100.0
110.03281	3.5
113.02454	1.2
117.03457	0.6
119.03466	1.0
121.02952	27.6
122.03323	1.0
125.02412	0.9
133.02922	1.3
135.04500	0.9
145.02956	2.9
149.02426	1.4
161.02501	0.6
163.03990	8.0
165.01924	22.4
166.02240	0.7
169.01430	1.6
177.01930	6.3
178.02565	0.5
180.25394	0.5
184.99956	0.5
187.07587	0.5
189.01945	7.9
240.09074	0.5
243.06601	2.0
263.80716	0.7
267.93060	0.5
269.04626	0.9
287.05597	25.5
288.05954	2.2
289.86090	0.6
294.72272	0.5
331.04431	8.7
331.13889	1.9
331.17374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.046
Annotation	Corynesidone B
Peak:m/z	Relative Intensity
58.00578	0.4
59.01381	3.3
61.69252	0.4
65.00304	0.5
67.01883	0.7
67.24389	0.4
68.99812	0.4
69.12056	0.4
69.58614	2.7
71.01369	2.7
77.14383	0.4
79.01919	0.4
81.03471	0.6
85.02955	1.3
89.02448	1.4
89.63793	0.4
92.66643	0.4
93.03456	4.4
95.01409	1.0
97.02957	1.4
100.04595	0.4
101.02443	1.8
105.03439	1.5
105.56972	0.4
108.02200	0.7
109.02949	100.0
110.03310	2.3
110.03967	0.4
113.02433	0.9
119.03459	0.5
121.02957	26.9
122.03258	1.0
123.00865	0.4
125.02421	1.4
133.02946	2.0
135.04521	1.8
138.94479	0.4
145.02946	2.6
149.02441	1.0
161.02414	0.5
163.02736	0.8
163.04010	9.2
165.01923	23.5
166.02267	0.9
169.01431	2.3
177.01939	6.2
178.02606	0.6
179.03432	0.5
187.13478	0.5
189.01913	8.0
225.05476	0.6
243.06679	1.1
269.04669	0.8
287.05606	25.3
288.05951	2.4
303.75214	0.4
331.04425	8.0
331.13693	0.7
331.17630	0.8
332.04919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.29702	0.5
50.41024	0.5
53.91241	0.4
58.00589	1.2
59.01375	3.9
71.13419	0.5
72.99318	0.7
73.98875	0.5
87.02850	0.4
97.06606	0.5
98.19922	1.2
99.07537	1.0
99.08156	8.9
111.08212	0.8
112.08405	0.5
121.02922	1.0
125.02454	3.2
127.07661	1.6
129.09215	7.7
129.15120	0.5
138.20961	0.5
139.03941	0.5
151.03961	0.5
153.12874	0.7
160.05263	0.8
160.12712	0.5
169.12328	4.1
175.07607	0.9
179.07120	0.6
181.12320	5.6
183.13873	1.6
184.22382	0.5
191.05598	0.6
193.12306	1.3
197.11745	2.6
198.12224	0.9
199.13434	19.7
200.13763	1.1
211.13387	15.2
211.74113	0.5
212.13812	0.6
227.12909	1.0
229.14467	1.9
283.08798	0.8
293.21115	4.0
294.22015	0.7
301.09863	2.6
311.22333	2.7
329.03070	0.8
329.09921	3.7
329.23300	100.0
330.23642	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	329.1392
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
50.77576	0.5
59.01371	1.1
69.74287	1.6
69.74712	2.0
83.05728	0.6
84.72094	0.5
89.08196	0.5
91.05535	0.8
93.03463	1.1
105.03484	0.6
108.02163	1.0
109.02943	0.6
115.05542	0.8
121.02943	14.0
121.03764	1.0
122.03780	4.9
123.00082	0.6
123.00865	2.9
123.04514	1.2
124.01643	1.7
131.05037	1.9
134.03719	1.2
135.04477	0.8
136.01677	0.9
136.05328	2.2
137.02454	2.4
137.06062	0.8
143.05009	3.0
145.02979	1.4
145.06584	1.1
146.03735	1.4
147.04532	9.8
148.01695	0.9
149.02422	5.4
150.03229	16.9
151.03999	1.0
153.05563	1.2
158.03720	13.0
159.04507	40.3
160.05292	100.0
161.06081	35.1
162.06438	2.2
163.04010	15.2
164.04794	15.4
165.05075	0.6
168.04341	0.6
173.06062	13.0
174.06467	0.9
175.07631	74.2
176.04752	1.8
176.07985	4.4
177.05551	18.3
178.06339	18.2
179.03552	1.0
179.06673	0.8
191.07108	0.8
192.07869	2.4
193.05049	0.6
193.08694	8.2
198.63585	0.6
205.90663	0.7
270.98853	0.8
298.98233	0.8
299.13126	0.9
299.98700	0.6
314.00546	1.1
314.11557	2.8
329.03113	1.7
329.13934	95.6
330.14291	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	328.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11775	0.8
59.01381	5.8
64.32441	0.8
65.37222	0.7
68.80872	0.8
69.23910	2.6
69.24339	5.7
74.02464	2.1
82.02966	1.2
84.04539	5.5
85.02957	1.0
85.53989	0.8
98.20628	1.4
100.04033	1.6
100.07684	1.8
102.05605	92.8
103.05901	1.7
128.03537	100.0
129.03873	3.3
146.04591	13.1
181.15947	1.9
198.18622	8.3
199.17020	69.8
200.17365	6.0
229.14255	1.0
238.21655	3.0
240.23337	16.1
241.23761	1.2
266.21207	3.2
284.22299	19.2
285.22647	2.7
310.20227	15.9
311.20493	1.5
328.21265	95.6
329.10159	1.1
329.21240	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	329.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40174	0.6
59.01375	45.0
61.98828	2.7
73.13805	0.6
115.02514	2.3
117.00428	4.0
126.98878	0.9
143.02029	4.5
157.03572	1.3
159.01491	63.6
160.01595	4.3
168.99944	4.2
170.97842	2.8
187.00975	100.0
188.00951	7.8
198.99522	1.0
201.02534	13.9
202.02760	0.8
211.13330	1.6
241.00603	0.8
257.24045	0.6
274.99316	2.0
287.01126	1.5
311.01077	1.3
329.02194	2.6
329.10446	1.0
329.23383	4.2
330.01685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71644	0.4
59.01389	2.5
67.71229	0.4
70.68410	1.2
71.01380	8.0
73.02959	2.1
82.93975	0.4
83.01410	0.6
85.02934	2.7
87.00880	0.5
89.02457	0.7
93.03481	0.7
95.01371	0.7
99.00896	1.5
99.04514	0.7
101.02445	5.9
108.02168	1.6
109.02930	2.9
113.02446	4.6
121.02934	2.8
121.06594	0.6
122.03736	100.0
123.00899	0.9
123.04588	10.5
125.02435	0.7
135.04462	2.1
136.05270	0.7
137.02443	1.7
137.06056	1.6
143.03467	1.3
147.04544	1.4
149.06102	0.5
149.43033	0.5
150.05595	0.9
157.75844	0.5
159.02960	1.2
161.04541	7.5
165.05551	5.4
167.03500	1.2
177.05530	2.2
191.05649	0.9
191.20966	0.5
192.99500	0.4
274.06046	0.4
285.09787	1.6
329.08722	3.7
329.23444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1141
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
59.01365	2.6
60.59337	0.9
69.16082	9.5
79.30261	0.9
82.02972	8.3
91.19412	1.0
106.06628	12.9
108.04574	1.6
110.02457	1.0
117.65904	1.0
121.02941	0.9
122.06133	2.3
132.04546	30.1
133.05278	3.6
134.06116	43.3
135.06441	1.4
136.04030	3.7
148.04048	1.5
149.02411	2.8
149.04820	3.3
160.04021	23.9
161.04823	43.0
162.05602	93.1
163.05951	5.1
167.07106	1.7
171.80247	1.1
176.03496	5.2
193.03781	53.9
194.04280	2.0
212.07152	7.6
213.07857	2.8
214.08713	6.0
226.08667	4.1
240.10210	1.0
241.06186	9.0
242.06419	1.4
242.11908	5.9
243.11414	5.0
254.06929	1.6
255.07646	1.2
257.09323	10.7
264.25818	1.0
267.11160	0.9
268.09726	3.0
269.09323	8.3
270.09619	1.3
285.12424	88.7
286.12759	8.1
296.32782	1.1
311.10367	14.8
314.11679	1.0
316.57480	1.1
329.11386	100.0
330.11633	9.2
350.56512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.24337	8.2
57.03448	13.0
59.01376	20.8
59.06836	8.3
60.30004	8.8
71.01376	8.7
71.52357	13.1
81.03479	9.8
83.01334	14.0
83.05029	10.0
85.02957	11.1
97.06580	9.6
103.77994	8.7
123.04496	8.5
123.08112	8.4
125.09717	27.5
129.05611	9.9
139.11256	10.5
141.45572	8.5
147.71011	8.1
153.12874	10.6
163.11195	12.4
165.12863	19.8
167.10794	22.4
171.10222	23.8
181.12344	13.3
183.83769	8.5
197.11877	13.7
209.11824	36.5
229.14349	15.2
259.51285	9.7
291.19659	15.5
309.20645	13.9
327.21793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.52000	1.4
54.01191	1.6
55.42449	1.7
57.03448	2.3
57.56441	1.6
58.00585	3.0
59.01382	3.8
69.03445	2.3
70.72299	4.9
83.05022	2.0
85.02956	2.3
88.95557	1.4
92.04848	1.7
93.41305	1.8
97.06562	2.9
98.12436	1.8
99.08149	2.6
108.17728	1.7
111.08119	1.8
115.07649	100.0
116.07986	3.8
123.49078	2.0
125.09785	2.1
129.09209	9.7
151.11269	2.1
153.12845	37.3
154.13260	1.8
155.10802	4.1
155.14436	2.2
165.12802	1.8
167.14461	2.1
169.12236	2.7
171.10262	7.1
181.12358	3.7
182.51927	1.7
183.13843	7.9
185.11789	2.1
197.11807	56.6
198.12189	4.4
199.13382	24.4
209.11841	5.4
211.13316	7.9
215.12862	37.6
216.13063	2.3
227.12881	70.6
227.15158	3.4
228.13156	4.1
229.14415	61.1
230.14723	4.2
235.13365	2.2
249.13757	1.7
258.32770	1.8
265.21497	4.2
291.19565	8.7
299.22311	10.1
309.20676	27.0
310.20926	2.6
327.21796	46.0
328.21997	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.02924	2.0
50.19650	1.7
50.96355	2.2
59.01369	3.9
69.24451	12.5
69.24860	4.5
92.57073	1.9
98.19846	3.7
110.25679	1.9
121.44444	2.2
165.12845	28.0
171.10271	8.7
183.13896	100.0
184.14230	5.0
185.11806	2.8
197.11743	3.7
201.11334	2.8
209.11731	3.7
211.13533	2.6
212.24281	2.2
227.12871	74.7
228.13196	4.0
229.14404	2.5
264.11963	2.0
265.21698	75.4
266.22049	5.3
283.22754	31.7
327.07809	10.6
327.21841	32.0
328.22079	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03438	1.7
59.01365	1.1
69.03455	1.8
71.01373	0.9
74.45229	0.7
83.05017	1.4
85.02940	7.7
95.04998	0.9
97.02956	1.2
97.06574	6.0
98.19880	2.6
100.25986	0.7
119.08710	0.8
125.09740	2.2
127.11315	1.5
137.09714	2.0
155.10802	1.4
155.14462	1.2
165.12859	1.4
167.14372	1.3
171.10249	16.3
177.12750	1.3
183.13889	5.0
185.11832	1.2
193.12233	1.6
209.11879	1.9
211.13371	22.4
212.13600	0.9
221.11823	2.9
229.14424	15.1
239.12799	2.1
291.19742	3.4
309.20648	1.5
327.21738	100.0
328.22079	10.0
337.92291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.06480	0.8
57.03442	2.0
59.01368	1.4
64.47095	0.9
67.55064	0.9
69.03419	0.9
70.86050	1.8
71.01366	1.0
73.02953	4.6
89.54722	0.8
97.06577	2.5
98.03709	0.9
99.08162	4.4
112.05282	2.4
113.09719	1.0
115.07620	2.6
123.08096	1.1
125.09716	2.1
127.07645	3.9
127.11299	2.0
129.09216	33.1
130.09541	1.5
141.09213	13.0
141.12851	1.2
142.09537	0.9
153.12874	0.8
155.10780	29.9
156.11189	1.1
165.12817	1.3
171.10251	21.8
185.11818	54.3
186.12231	1.8
193.15984	1.0
197.11821	44.4
198.12164	2.8
209.11766	6.6
247.20590	2.3
291.19638	13.3
292.19998	0.9
308.63251	1.0
309.20697	29.1
310.21112	4.8
327.21747	100.0
328.22128	11.7
336.96661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00586	1.8
59.01373	4.1
63.39483	0.7
68.27868	0.7
69.23524	2.8
69.23952	2.9
97.06579	2.5
111.08154	8.3
112.08519	0.7
127.07598	1.0
150.56422	0.7
153.12869	1.2
169.12346	6.3
181.12337	2.2
183.14061	0.7
197.11813	47.7
198.12088	3.0
199.13383	7.5
211.13408	6.3
227.12872	1.0
229.14432	1.2
291.19589	2.2
291.36359	0.6
309.20544	3.1
327.21738	100.0
328.22070	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	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21112	2.5
58.00599	4.3
59.01379	94.3
69.57250	16.8
71.01376	55.9
71.37861	2.1
72.99310	3.9
78.95901	6.0
84.65842	2.5
85.02945	9.1
87.00858	5.0
89.02442	71.6
93.03419	2.7
95.01376	3.4
96.96019	2.7
98.19946	5.1
99.92565	6.4
101.02434	30.7
103.05518	3.8
109.02962	6.3
113.02444	24.3
115.92065	6.2
116.92845	5.2
119.03506	29.2
143.03571	2.7
147.04514	100.0
148.04895	3.6
150.03230	2.9
159.04411	3.1
165.05534	8.0
168.95923	2.8
179.05536	4.5
200.91631	2.5
264.32834	2.5
279.26172	2.8
312.09677	3.0
327.08463	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	2.3
59.01381	2.9
69.03435	0.8
83.05055	0.6
97.06568	2.8
98.19913	1.8
106.61247	0.5
109.06590	1.3
111.08162	9.1
129.09186	0.9
141.09163	0.6
153.12842	1.0
155.10782	0.9
169.12357	6.7
171.10211	1.3
181.12308	2.7
183.13954	0.9
185.11919	0.9
193.12401	0.9
197.11830	47.1
198.12219	4.1
199.13403	7.5
209.11813	0.9
211.13382	7.1
212.13811	0.6
217.30695	0.5
218.31277	0.5
227.12764	0.7
229.14574	0.9
263.20071	0.6
291.19666	2.8
309.20786	3.7
327.21747	100.0
328.22043	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	327.2173
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.56525	0.5
58.00588	1.3
59.01366	0.5
59.17296	0.4
69.23114	2.1
69.23551	2.4
71.10320	0.4
78.46076	0.4
97.06577	1.9
115.07627	4.0
132.68958	0.5
141.15904	0.5
153.12859	3.9
155.10847	0.5
155.14398	3.9
165.05473	0.6
165.12819	0.6
171.00969	0.8
183.13876	6.4
197.11844	3.2
199.13394	7.9
209.96269	0.5
211.13423	5.7
214.99899	0.6
215.12849	0.9
227.12875	5.0
228.13214	0.8
229.14429	100.0
230.14777	5.9
270.98648	1.1
291.19638	1.9
298.98334	1.1
299.22220	0.7
299.98450	0.5
309.20746	8.7
310.20886	0.9
326.97775	4.0
327.21759	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	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00582	2.5
58.56099	0.8
59.01375	6.7
71.01247	1.8
73.02934	0.8
79.39730	1.0
97.06577	2.0
104.58543	0.8
108.57883	0.9
111.08157	13.2
112.08433	0.9
123.08150	0.9
127.07604	1.3
137.09718	1.5
160.87349	1.0
165.03494	0.8
169.12325	7.2
171.10275	5.0
181.12282	1.8
197.11821	62.4
198.12138	3.9
199.13382	9.0
201.11292	1.7
211.13391	4.9
227.44872	0.9
229.14340	1.1
242.24789	0.8
263.20236	1.6
291.19711	2.9
309.20648	5.1
327.21732	100.0
328.22061	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	327.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.1
61.98799	0.8
62.06924	0.5
68.99807	0.5
70.29233	1.3
70.29612	0.8
85.02948	0.7
88.66792	0.5
96.95937	0.5
99.92571	0.8
103.01791	0.4
104.02681	0.5
115.92046	1.0
116.92848	3.3
132.02155	2.8
144.02126	1.2
148.01695	0.6
156.02173	11.5
160.01656	3.0
165.05516	0.5
171.10204	1.0
172.01653	3.2
176.01158	1.0
178.99582	0.5
183.13853	0.7
184.01636	8.3
185.01912	0.6
188.01074	1.6
197.11771	0.8
200.01140	12.6
201.01477	0.8
204.00626	0.6
211.13342	1.1
212.01115	6.0
216.00613	1.4
226.99944	0.5
228.00607	6.1
229.14478	0.6
240.00626	16.1
241.01027	1.3
242.99123	0.7
254.99281	2.9
256.00095	4.6
268.16302	0.9
269.16583	0.9
282.60577	0.5
282.98880	1.7
283.96698	0.8
283.99622	10.7
284.99872	0.7
309.04373	1.1
310.98367	0.9
311.99097	100.0
312.99463	9.0
326.20428	0.6
327.01443	54.2
327.21735	9.8
328.01724	4.5
335.01324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
58.00583	1.5
59.01377	41.7
69.83610	0.7
71.01380	17.9
72.99297	3.2
73.02939	0.9
81.67572	0.8
83.01386	1.7
85.02956	4.9
87.00889	1.4
89.02441	17.6
95.01385	1.3
101.02440	13.9
103.05531	3.9
107.01352	0.9
113.02432	7.1
119.03491	7.2
119.04987	4.7
125.02433	1.4
147.04512	100.0
148.04872	5.0
152.34381	1.0
157.20065	0.8
161.04573	0.8
165.05576	14.5
166.05885	1.0
169.01491	4.0
179.98026	0.9
190.13840	0.8
244.32657	1.0
277.89771	0.8
327.10828	56.2
328.11096	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	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01410	0.6
70.27179	0.5
92.14224	0.5
98.45666	0.5
149.09708	88.2
150.10043	4.3
163.11275	100.0
164.11551	6.0
183.01190	28.7
184.01787	2.8
196.65056	0.6
197.02693	1.6
216.00943	1.1
229.36639	0.5
325.07202	1.5
325.18295	43.5
325.21689	91.4
326.18610	3.9
326.22031	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.4
68.99773	0.7
71.53622	0.5
104.02645	1.2
116.02633	0.5
128.02686	0.6
132.02170	3.3
144.02164	2.0
148.01578	0.7
156.02167	11.5
160.01620	2.5
161.19511	0.3
170.00021	0.4
172.01656	2.9
176.01106	0.9
184.01642	9.6
185.01939	0.5
188.01089	1.5
200.01132	12.7
201.01448	1.1
204.00687	0.4
212.01161	5.0
213.01450	0.5
216.00613	1.1
217.01370	0.6
226.99808	0.7
228.00639	6.4
229.01073	0.4
240.00618	17.2
241.01048	0.8
242.99323	0.6
254.99344	2.7
256.00089	4.3
274.01318	0.4
282.98825	2.1
283.99582	11.3
285.00006	0.6
298.98096	0.4
310.98282	0.9
311.99091	100.0
312.99432	9.8
327.01434	49.2
327.08136	0.5
327.08984	0.4
327.21869	0.6
328.01733	4.3
337.34406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
69.75442	3.9
71.01382	2.0
71.05019	0.8
72.32040	0.7
80.02675	1.2
81.03468	1.3
83.05028	2.3
95.05021	2.7
96.96002	3.4
96.97008	0.9
97.02962	1.0
97.06566	1.1
98.20029	1.4
106.04257	1.7
109.06594	4.9
110.03733	4.2
110.29289	0.7
121.06596	0.8
123.04535	0.9
135.08115	0.7
135.12547	0.7
143.65749	0.8
167.10745	0.7
169.12436	0.9
175.45374	0.7
187.15096	0.8
193.15965	0.8
195.17464	0.9
197.11821	7.3
203.14435	2.0
205.15958	7.2
207.13847	1.0
209.11526	0.8
211.13336	1.2
211.17026	2.7
219.13849	1.3
221.15472	4.0
223.17001	1.1
227.12852	1.7
231.13858	2.6
239.16539	3.4
249.14944	61.1
249.79370	1.0
250.15364	5.2
251.16412	1.8
267.15991	100.0
268.16321	9.3
289.17978	4.5
307.19150	15.2
308.19482	2.6
325.20169	34.5
326.12079	1.1
326.20712	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51812	2.0
59.01365	2.9
69.35771	3.8
69.36172	11.5
97.06602	1.9
98.19908	2.8
101.68457	2.1
142.05113	1.9
165.12837	32.9
183.13890	94.4
184.14207	4.6
209.11841	4.2
211.13364	23.6
219.21190	2.0
227.12866	88.0
228.13120	7.0
263.20129	100.0
264.20480	8.9
281.21207	51.9
282.21381	4.2
305.78616	1.9
325.20190	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62479	1.1
59.01376	1.4
67.15267	1.0
71.30219	1.4
75.59888	1.0
80.02657	1.6
81.03463	2.6
81.57063	1.1
83.05019	6.9
83.56133	1.1
84.02183	1.3
88.18098	1.0
95.46988	1.1
99.08112	1.0
109.06635	1.1
112.05291	1.5
114.99577	1.1
115.07629	8.6
120.42294	1.2
125.09685	2.8
127.11310	2.3
155.10738	5.9
163.11224	6.1
165.12805	3.2
178.10020	7.2
181.12338	1.2
191.10823	1.5
207.10173	2.2
209.11813	100.0
210.12157	5.9
222.71190	1.0
236.10526	1.3
245.19174	1.6
263.20270	1.3
279.19696	1.7
289.17996	3.2
307.19128	90.2
308.19467	9.8
316.28442	1.4
325.07138	13.0
325.20212	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43072	20.1
57.03447	27.7
69.03460	25.3
81.03442	25.3
91.97964	20.3
95.19273	18.9
97.02950	56.9
97.06574	48.8
123.04524	64.3
125.09717	82.2
130.09714	20.2
135.08197	23.7
137.09691	32.1
144.40814	22.8
163.11282	43.7
166.72504	19.3
167.10794	44.2
185.11737	29.3
199.13374	33.1
207.10193	41.6
209.11833	85.6
325.07101	100.0
325.20169	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	16.6
59.01363	35.2
69.03436	8.8
71.01406	13.1
77.65262	9.5
83.05032	17.5
97.06583	32.2
100.48300	10.1
111.08147	15.3
115.07610	14.5
126.31367	8.5
151.11282	26.3
155.10738	17.5
165.12817	18.2
171.10246	21.8
181.12283	29.6
183.01173	10.4
197.11810	27.7
209.11807	89.5
210.12250	12.9
229.14180	11.6
248.10051	9.0
297.07803	16.4
297.61658	8.5
307.19098	100.0
325.03619	14.7
325.07135	86.8
325.20151	18.5
326.07382	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
58.00587	5.6
59.01387	3.2
70.86271	4.8
97.06579	3.6
99.08147	3.4
113.06100	7.8
115.07649	17.8
117.84177	2.6
127.07635	17.3
129.09261	3.6
142.21359	2.7
151.11282	29.0
151.12381	3.8
153.12830	27.1
155.14453	5.1
158.09984	2.4
165.12906	4.6
181.12347	4.4
183.13925	4.6
197.11812	42.1
198.12193	2.4
199.13370	32.4
209.11852	8.6
211.13445	2.4
215.12880	24.7
227.12875	93.2
228.13174	4.6
229.14424	100.0
230.14798	8.4
245.19032	3.3
263.20096	3.8
269.21216	8.3
279.19586	3.8
289.18054	4.8
297.20590	8.0
307.19177	20.0
325.20184	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01370	6.6
70.75141	1.6
71.01379	7.3
71.05010	2.6
80.02666	2.0
81.03485	2.2
83.05017	4.5
84.02177	2.8
95.05035	2.8
97.06593	4.3
98.20714	6.4
104.48379	1.9
107.05030	2.0
109.06573	3.0
111.08167	4.9
115.07668	2.7
125.09713	3.3
127.07661	21.1
139.07651	4.1
153.09201	3.8
155.10777	3.8
161.23418	1.8
163.11205	4.9
165.12856	3.6
169.12305	2.0
171.10245	8.4
178.09924	2.8
185.11838	21.9
197.11823	26.4
201.11282	4.0
207.10071	2.1
209.11807	74.0
210.12187	4.4
213.11282	2.3
227.12875	3.7
229.96815	2.3
238.12083	7.3
245.19080	2.1
251.16788	1.8
256.13129	5.1
279.19604	2.8
289.18045	9.9
307.19113	100.0
308.19492	9.2
325.20151	46.6
326.20639	4.4
348.18802	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.4
59.01395	1.6
63.56691	0.8
71.01378	6.1
71.05052	2.2
72.02176	1.4
75.16288	0.9
77.12434	0.6
80.02703	1.4
81.03480	1.6
81.07196	0.7
83.05022	5.1
84.02203	3.2
85.02987	1.1
95.05064	1.8
97.06611	2.8
98.20649	1.9
99.04545	2.1
99.08140	4.1
111.08163	1.8
112.05305	1.3
115.07687	2.7
115.29781	0.7
118.84447	0.7
123.08198	1.0
125.06101	1.0
125.09691	6.4
127.07648	18.2
127.08530	1.1
127.11272	0.8
135.08209	3.3
137.09749	1.7
138.06882	0.9
139.07632	4.3
141.09187	1.3
153.09206	16.3
155.10805	3.4
159.38872	0.8
163.11282	4.4
165.12842	3.7
171.10272	14.7
178.09962	3.5
179.10847	1.0
181.12390	1.3
185.11818	19.6
185.13480	1.2
186.12238	0.9
191.14429	1.7
197.11809	19.4
198.12204	0.9
207.10197	1.6
209.11816	82.7
210.12204	5.3
227.12878	1.1
229.10841	0.8
236.10541	1.7
238.12123	6.8
239.12494	0.8
239.16525	1.3
245.19102	3.3
253.18181	1.1
256.13104	4.1
263.20071	1.6
265.18127	1.8
279.19681	1.7
289.01328	0.8
289.18085	10.8
290.18546	1.7
297.20560	1.4
307.19131	100.0
308.19449	11.9
325.20181	39.3
325.24112	1.3
326.20541	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92700	1.0
53.59073	1.0
55.32284	0.9
57.03454	1.1
59.01384	2.5
59.64752	0.9
62.59553	1.0
69.24923	1.0
69.25245	9.9
71.01369	1.3
97.06593	1.3
99.08185	1.2
121.02962	4.1
122.03751	5.3
125.09759	1.3
127.07570	1.3
131.06734	1.2
136.05280	2.8
153.09247	1.7
155.10815	1.6
157.94844	1.2
167.14403	5.4
168.04291	2.3
183.01147	1.5
193.15977	2.7
197.11905	1.9
207.17633	2.6
209.11929	5.8
225.11301	1.2
231.17574	2.3
233.15616	1.6
247.16866	1.4
249.18594	34.2
250.18948	2.9
265.18192	1.3
275.16513	25.1
275.19373	1.7
276.16891	2.0
281.21249	5.9
289.17960	1.1
293.17578	100.0
294.17877	8.5
297.07831	1.6
307.19141	10.2
308.19724	1.5
310.83029	1.2
325.07233	12.8
325.20242	67.8
325.23425	2.6
326.07550	2.0
326.20517	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.12092	1.3
58.15619	1.2
59.01383	7.5
60.51719	1.0
60.78015	1.1
69.20434	3.6
69.20850	7.3
71.05022	1.2
73.02956	1.3
75.92023	1.1
78.45480	1.1
80.02681	2.2
81.03461	2.6
83.05009	7.5
84.02170	1.9
85.06593	1.1
95.05000	1.2
97.06576	1.6
99.08115	1.1
113.02415	2.0
115.07669	6.5
123.00915	1.2
125.01195	3.0
125.06083	1.6
125.09703	4.1
126.01575	1.2
127.11260	1.3
135.08139	2.7
137.09775	2.2
154.01445	1.4
155.10764	8.8
163.11330	6.6
165.12811	4.4
171.10234	3.1
178.09962	6.0
179.10724	1.6
181.12315	2.6
183.01189	4.9
184.05272	1.2
185.11882	1.4
187.75963	1.3
191.10713	1.9
197.11783	2.3
207.10228	1.7
209.11812	95.3
210.12152	5.8
213.09421	1.0
215.12851	2.7
223.16980	1.1
225.11438	1.6
245.19012	2.0
249.18594	1.5
267.02902	2.0
269.08118	1.3
279.06583	1.1
281.04614	1.4
281.21201	1.4
282.05267	1.2
289.18121	4.8
296.03122	1.2
297.07669	4.7
307.06268	1.5
307.19131	100.0
308.19571	10.0
325.07199	23.4
325.10809	1.1
325.20032	9.2
325.23645	6.6
326.07455	2.9
326.20306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78439	0.3
57.19984	0.3
63.32116	0.3
69.79116	1.2
69.79540	0.8
75.27447	0.3
79.95708	1.6
80.83258	0.3
82.37646	0.3
110.57351	0.3
118.60512	0.4
119.05006	1.8
121.62373	0.3
134.46016	0.4
170.00406	1.8
183.01193	56.9
184.01788	4.2
197.02759	4.2
198.03325	0.5
216.00967	1.4
225.05856	0.8
230.02580	0.4
239.07500	0.6
253.09116	0.4
261.22275	0.4
284.23782	0.4
317.08871	0.4
325.18387	100.0
326.18738	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	325.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.3
61.98836	2.8
67.43909	2.2
68.99794	1.8
69.03455	100.0
69.49572	10.6
69.49995	5.0
71.01377	4.4
71.04996	2.1
72.99325	2.3
91.72747	1.9
95.05042	4.8
96.96031	3.4
96.96926	3.4
113.02436	5.1
119.05003	2.4
123.08176	14.5
148.05296	9.7
149.09692	10.9
151.11331	4.0
163.06192	2.6
163.07695	6.2
167.10826	4.3
175.11258	35.9
176.11708	2.4
191.14423	26.1
192.14859	2.6
193.12344	4.2
219.10313	6.6
219.13875	85.6
220.14211	6.6
235.13687	2.6
263.12863	46.8
279.12286	3.5
281.13959	9.3
282.14584	2.2
325.03568	2.5
325.07178	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78337	0.4
59.01366	0.7
59.24083	0.4
59.43973	0.4
69.47886	0.4
69.49438	1.3
69.49872	1.5
70.04955	0.4
71.01351	0.7
89.02473	0.5
93.03461	0.6
119.05025	100.0
120.05363	4.8
130.89546	0.4
135.04550	0.5
145.02919	0.6
163.04004	79.4
164.04324	2.8
205.05240	0.5
220.77058	0.4
246.65395	0.4
259.91037	0.4
280.84738	0.4
323.28867	0.4
325.13882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.1
69.03456	100.0
69.19309	14.9
70.03819	2.1
95.05006	4.6
96.96017	3.4
101.02457	1.4
106.71084	1.4
111.00886	2.4
113.02387	2.2
116.21671	1.5
117.82540	1.5
121.06556	1.9
123.04553	1.8
123.08150	15.8
135.04509	2.6
139.60663	1.6
149.09723	7.9
151.11266	1.9
161.09610	1.6
167.10748	4.1
175.11275	37.6
176.11679	3.4
180.89722	1.5
188.13850	1.5
191.05618	4.4
191.14418	34.8
191.16156	2.0
192.14772	2.3
193.12273	5.3
203.10847	3.8
219.10297	5.5
219.13889	71.7
220.14189	6.3
237.14980	2.0
263.12872	42.9
264.13162	1.9
271.02563	1.7
279.12372	8.3
281.13885	9.6
299.02136	2.2
305.86670	1.7
325.13025	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	325.0715
Annotation	Dihydrosterigmatocystin
Peak:m/z	Relative Intensity
59.01378	1.0
66.89329	0.7
69.28600	2.5
69.29037	2.5
72.21972	0.6
87.01566	0.6
98.20659	1.4
108.16697	0.6
127.07647	1.2
139.07625	1.8
145.65523	0.6
155.10693	0.6
171.10245	0.7
172.05267	1.9
184.05286	3.5
185.05826	0.6
185.11829	4.1
185.43414	0.5
193.06537	0.6
195.04489	0.8
195.08141	0.7
197.09795	1.2
197.11801	1.7
199.68044	0.6
209.06023	0.8
209.11806	2.4
211.04109	1.3
212.04692	0.9
213.09196	1.9
214.02751	0.9
223.04056	0.7
223.07587	2.4
224.04820	0.9
225.09113	3.2
227.03514	0.6
233.05981	0.6
235.07584	1.0
236.04854	0.7
237.05472	0.6
239.03346	1.4
240.04298	0.9
241.08644	3.1
242.02194	2.5
243.02995	0.7
251.07173	3.5
253.08716	1.4
256.03824	1.1
261.05606	1.0
264.04300	0.9
265.04996	1.7
266.05481	0.7
267.02982	4.5
268.03696	2.0
269.08224	3.9
270.01822	0.8
277.05020	1.2
278.02359	1.0
278.05521	0.8
279.02939	2.8
279.06561	4.6
280.07120	0.7
281.04541	5.8
281.08069	2.0
282.05240	5.1
284.03421	0.8
289.17996	2.9
292.03717	2.1
293.04297	0.9
295.06113	2.9
296.03253	4.1
296.06354	4.3
297.07660	12.7
298.07986	1.3
307.06100	6.6
307.19156	5.4
308.06607	1.4
309.03964	6.3
310.04642	1.9
325.07156	100.0
325.20035	2.1
326.07556	9.8
330.06693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0925
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01390	1.5
66.16183	0.4
71.01379	0.9
80.32629	0.5
81.76933	0.4
93.03479	0.7
107.84851	0.5
119.05028	100.0
120.05365	3.9
135.04472	0.6
145.02985	0.6
163.04007	76.0
163.48569	0.5
164.04352	3.2
165.19408	0.4
193.05031	0.6
228.76085	0.5
229.05537	0.6
325.09427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25217	1.0
53.77642	0.9
57.03452	1.4
59.01369	4.3
69.03455	4.8
70.83765	1.9
71.01351	1.4
71.05027	1.2
95.05012	2.1
97.06566	1.7
113.02399	1.0
123.08160	1.7
125.09733	8.3
127.07590	2.1
133.77304	1.1
145.11945	0.9
154.01361	1.8
161.09666	1.1
163.11250	4.8
165.09189	3.2
179.10794	5.2
179.87509	0.9
181.12344	3.1
197.11824	17.9
207.10210	1.7
209.11824	2.2
221.11835	4.1
239.12817	4.8
241.10796	2.1
247.20511	1.9
279.22882	1.1
291.19629	16.2
292.19910	1.2
305.21140	8.7
306.21509	2.1
307.19058	2.0
308.19922	8.7
309.20157	1.7
323.18869	4.2
323.22238	100.0
324.22543	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.8
59.01366	10.6
66.39595	2.4
67.76092	2.1
69.38589	17.2
71.01388	4.1
83.55820	2.2
93.90847	2.1
109.06635	5.4
111.08162	6.2
113.02460	2.5
125.09683	5.1
151.11226	4.6
153.12874	8.0
169.12277	2.2
172.97443	2.2
181.12323	21.2
197.11815	41.3
207.13872	12.7
209.11917	4.9
213.14963	8.9
225.15030	3.6
239.12686	2.7
256.05408	2.2
263.20148	3.3
273.18539	7.2
291.19672	52.4
292.19897	2.8
305.17810	5.1
305.21286	9.5
323.18417	4.9
323.22269	100.0
324.22549	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.90448	1.2
56.77308	1.0
57.03444	1.8
59.01384	5.8
59.52378	1.1
61.31742	1.0
61.97239	1.1
69.03448	2.0
69.37326	9.5
71.01376	1.8
77.71491	1.2
95.05021	1.1
97.06590	3.9
109.06568	2.0
111.08147	5.3
113.02438	1.6
121.10249	1.3
123.08154	1.9
125.09715	4.6
137.09720	2.8
149.09740	1.6
151.11301	3.2
153.12846	2.2
163.11279	3.2
165.09164	2.2
165.12816	3.9
169.12280	2.8
171.10327	2.7
177.12819	1.8
181.12329	6.6
193.12383	1.7
197.11832	50.4
198.12169	2.4
209.11865	7.1
213.14928	10.0
214.15054	1.6
225.14896	3.4
239.12837	4.1
241.14449	2.9
244.13103	3.2
247.20683	2.9
263.20258	3.0
273.18588	11.8
291.19635	42.2
292.19952	4.2
305.17627	3.4
305.21237	7.7
308.19943	6.4
323.22244	100.0
324.22537	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.20598	1.4
57.03442	3.6
58.62593	1.8
59.01380	15.7
69.03447	2.1
71.01377	5.2
71.05007	3.5
80.02667	1.6
81.14825	1.8
83.05028	4.0
84.02139	1.8
85.02943	3.7
89.02412	2.5
95.01390	2.4
95.05014	5.0
96.37801	1.9
97.06575	5.0
101.02425	3.3
107.04997	6.3
109.06590	4.5
111.00858	1.9
111.04492	2.6
111.08129	8.0
113.02396	3.9
113.09697	3.3
115.07631	8.5
121.10184	4.2
122.10550	2.1
123.08110	2.3
125.06084	2.6
125.09698	6.1
127.07613	2.5
127.52852	1.6
135.08139	3.4
137.09703	4.8
149.09695	3.8
151.11298	9.3
153.09175	4.9
161.04572	1.8
163.11244	7.6
165.12830	1.7
167.10690	3.2
171.10263	8.5
177.12825	4.9
179.10721	2.0
185.11780	6.5
189.09244	3.0
195.13896	2.2
197.11719	5.8
199.13416	3.6
207.10236	6.3
209.11812	28.1
215.12769	2.4
221.11775	4.9
222.12613	3.3
225.11342	9.1
225.14886	5.4
227.12840	6.8
238.12045	4.1
253.14365	4.8
261.18457	2.5
265.18100	2.4
265.33707	1.8
273.18582	8.7
279.19644	9.4
287.16653	3.1
291.16275	2.8
291.19620	53.6
292.19943	5.3
305.17462	28.1
305.21170	13.9
306.17819	1.9
306.21402	2.1
323.05450	2.9
323.18439	14.1
323.22192	100.0
324.22549	10.4
340.38535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
59.01381	19.0
59.08456	1.4
60.99483	1.5
65.78374	1.3
69.03452	12.5
69.74699	9.1
71.01385	7.8
71.05022	5.0
71.71137	1.3
81.03455	2.6
83.01394	1.7
83.05000	1.9
85.02943	3.2
89.02451	3.9
95.01406	2.8
97.02959	10.0
97.06594	2.7
101.02462	2.9
107.05022	2.4
109.06603	3.5
111.08170	4.5
113.02450	3.3
123.08142	5.4
125.01203	3.1
125.09733	5.6
133.06604	2.2
135.08110	1.6
135.11763	2.0
136.05293	8.9
137.09760	2.9
140.03526	1.5
142.02733	3.9
149.06039	5.2
149.09708	3.7
151.11279	6.4
153.12834	3.8
154.01480	6.8
161.04594	1.9
161.09750	6.9
169.12331	5.2
179.10765	39.8
180.11057	2.2
181.12326	4.7
193.12300	2.1
197.11816	100.0
198.10437	1.6
198.12132	6.1
205.08736	5.0
209.11781	8.8
213.14851	5.3
223.09738	43.7
224.10043	1.9
225.14864	2.1
235.13634	1.5
241.10788	44.9
242.11153	3.4
256.10806	1.6
273.18576	4.1
279.19846	1.4
291.19498	8.4
305.17593	6.3
305.21213	18.0
306.21591	3.6
323.18552	16.8
323.22256	43.5
324.22272	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03463	1.7
59.01377	6.7
60.35895	0.7
67.82668	0.8
71.01413	2.4
71.10604	1.6
73.02967	0.8
83.01398	0.8
83.05074	1.3
85.03008	1.4
95.01432	3.1
95.05051	1.7
96.02219	3.3
97.02989	0.9
97.06634	2.8
99.27122	0.7
106.04240	19.1
107.05025	8.1
108.02206	4.6
109.02969	1.3
109.06634	2.9
110.03801	0.9
113.02495	1.1
119.03626	0.7
122.03831	0.9
123.04621	0.9
123.08220	2.0
124.05298	0.7
125.06070	12.6
125.09709	10.0
129.05595	1.1
133.03014	1.2
135.08156	54.8
136.08540	2.6
137.06075	29.8
138.06413	1.3
141.12843	1.2
147.04617	0.9
147.11472	0.7
153.09215	1.9
161.04861	0.8
161.06032	3.9
165.09215	1.1
174.95218	0.8
175.11317	1.7
183.10295	3.4
185.11815	54.6
186.12177	2.4
197.11792	12.7
198.12083	0.8
203.10732	1.2
207.10323	1.0
209.11891	1.2
232.14743	1.6
243.17485	1.3
249.14899	1.2
253.97073	0.8
258.12738	1.4
261.18698	1.4
263.16455	0.8
269.15457	2.5
276.13562	0.8
287.16519	16.2
288.16772	1.4
305.17551	100.0
306.17871	10.5
323.18585	40.0
323.22455	1.0
324.18753	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14683	1.1
57.03434	1.7
59.01363	5.6
70.72966	2.5
70.73307	1.9
71.01379	3.6
80.02689	2.7
81.03448	3.3
83.05040	8.5
92.73479	1.1
95.05045	6.1
97.02934	1.3
97.06579	3.7
99.04485	1.5
107.05032	14.7
109.03066	1.1
109.06585	3.6
110.03767	2.6
111.04542	1.6
111.08167	2.0
113.06088	2.3
123.04530	2.3
123.08149	3.0
125.02450	4.5
125.06068	3.3
125.09714	10.6
135.08192	6.0
147.04521	1.4
153.09218	14.4
154.09512	1.5
163.11295	7.8
165.12804	7.5
171.10274	2.6
174.03157	1.8
176.08434	3.8
177.09236	1.5
177.12804	1.3
178.10017	2.8
181.12256	2.6
185.11794	3.3
191.05623	4.3
191.10760	2.0
197.11839	15.7
204.30489	1.2
207.10265	5.0
209.11810	100.0
210.12167	6.4
225.11325	7.3
226.11566	1.6
236.10559	2.9
242.67650	1.5
243.17627	2.8
245.15404	2.6
251.20128	26.5
252.20596	1.5
261.18579	4.9
277.17975	1.9
279.19614	7.5
287.16541	13.4
305.17563	86.9
306.17868	10.9
307.02481	26.2
308.03125	7.0
323.05582	49.4
323.08740	1.0
323.18536	24.6
324.06000	5.0
324.18906	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	20.9
59.01379	39.0
62.18003	6.1
69.03455	6.6
69.63214	36.5
71.01367	11.9
71.05015	25.1
80.03207	4.5
81.03452	6.3
83.05052	6.7
84.87244	5.0
85.02937	13.0
89.02437	8.8
95.05029	17.9
97.06584	10.9
99.04460	7.3
101.06073	8.4
106.04264	6.3
107.05023	17.7
109.06578	10.8
113.02432	8.0
123.04542	13.2
123.08185	6.0
125.01170	9.6
125.09758	13.4
128.74422	5.3
135.08174	23.2
137.06070	7.5
151.07591	7.7
153.09264	11.7
154.01389	5.9
161.09612	7.3
165.09207	6.8
171.10254	13.1
177.12927	6.8
185.11890	28.4
189.12869	6.4
192.41115	5.3
197.11749	9.6
199.09763	13.4
203.10829	12.4
209.11816	23.4
211.13434	7.8
215.12721	8.5
235.13365	7.7
237.14938	53.5
243.17474	12.0
243.96895	6.0
249.15091	11.1
256.57187	6.4
279.19553	9.5
282.32437	6.5
287.16559	38.0
305.17542	100.0
305.21170	46.8
306.17886	6.9
320.42535	6.6
323.05603	9.7
323.18515	34.6
323.22284	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	323.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
67.37186	0.8
69.03464	1.1
69.24413	1.4
69.24820	6.5
71.01396	1.6
71.05016	3.0
80.02721	0.9
81.03452	2.0
81.75356	0.9
83.05022	7.6
85.02931	1.0
89.02454	1.2
91.36202	0.9
95.05027	3.4
97.02938	1.2
97.06590	3.9
98.20686	1.5
101.02416	1.1
107.05027	13.6
108.02161	1.2
109.06616	4.3
110.03709	1.2
113.02477	1.7
113.06091	2.1
115.07636	2.8
117.61977	1.0
121.02937	1.3
123.00861	1.2
123.04514	1.1
123.08157	1.8
125.02448	3.2
125.06087	4.5
125.09707	9.7
127.07604	1.5
133.03001	1.1
135.04553	1.5
135.08179	5.5
137.06090	1.5
137.09642	1.3
147.04543	1.2
151.11296	1.2
153.09192	16.6
163.11281	8.6
165.12825	3.4
171.10210	1.2
176.08438	3.0
178.09996	3.0
181.12320	2.9
185.11797	3.3
191.10805	3.0
195.10254	1.1
197.11842	15.4
198.12161	1.6
207.10228	9.6
207.13786	1.4
209.11810	100.0
210.12155	5.5
221.11673	1.0
225.11305	9.1
227.12831	1.7
236.10553	2.2
243.17456	1.5
245.15405	1.8
251.16319	1.0
261.18555	7.3
263.16589	1.1
263.65747	1.0
269.77850	0.9
279.19592	7.5
287.16510	9.2
291.19620	10.5
292.20187	1.4
305.17606	79.6
305.21115	9.2
306.17963	9.1
306.21246	1.6
323.18524	15.3
323.22256	14.2
324.18967	1.4
324.22467	2.0
340.01126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28020	0.8
51.58850	0.8
56.28336	0.7
57.03454	1.1
59.01366	1.3
62.07005	0.8
70.27102	2.8
70.27491	1.7
71.04967	0.8
76.60432	0.7
77.38845	0.8
78.98788	0.8
80.02670	1.4
81.03453	3.1
81.72944	0.7
83.05013	8.2
87.86185	0.8
94.48154	0.8
95.05035	2.6
97.02945	1.4
97.06590	3.1
98.20607	1.0
99.04519	1.3
99.49179	0.8
102.13120	0.8
107.05013	12.0
109.06578	3.1
110.03714	1.7
116.91605	0.7
121.02949	1.3
123.04533	2.2
123.08170	2.1
125.02468	2.0
125.06056	4.5
125.09729	9.8
133.02950	1.3
135.08148	4.4
138.06941	1.0
147.04500	1.5
151.07541	1.2
153.09190	15.7
162.14793	0.9
163.11256	7.7
165.12834	3.6
166.13211	0.8
169.08595	1.0
176.08401	3.5
178.09955	3.2
181.12318	2.3
185.11818	2.9
191.10820	2.4
197.11833	12.6
207.10226	7.9
209.11813	100.0
210.12137	7.4
225.11247	6.0
236.10497	4.1
243.17480	1.8
253.10899	1.0
254.11368	1.0
257.09064	0.8
261.18530	6.0
263.16440	1.6
269.15524	1.0
277.18073	1.4
279.19589	4.1
287.16556	9.4
288.16818	0.9
305.17569	81.7
306.17902	6.7
323.18622	12.8
324.19119	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.9
57.03453	17.3
57.29708	3.2
59.01376	9.8
65.78053	3.1
68.69046	2.8
69.03454	3.9
71.05010	15.1
80.02664	3.0
81.03453	11.2
83.01385	15.1
83.05024	21.4
84.02163	4.7
87.48332	3.6
87.50701	2.9
93.03432	4.0
95.05019	26.0
96.40318	3.4
97.02939	5.6
97.06579	22.0
98.19922	5.2
99.04546	5.9
101.06081	4.1
106.04250	3.0
107.05035	5.4
109.06586	10.4
111.04521	4.0
113.06093	14.7
121.06596	6.0
123.04517	7.2
123.08167	9.1
125.06058	5.0
125.09720	25.2
127.07628	3.1
128.26657	3.2
135.08150	19.0
149.09645	5.1
151.07552	3.2
151.11211	5.0
163.11313	10.1
165.09276	6.0
165.12848	6.8
167.10786	7.6
171.10316	6.9
177.12857	8.5
181.12321	7.2
185.11780	16.5
189.12737	8.9
191.10779	7.1
197.11880	4.8
203.10779	5.9
203.14330	4.2
204.11076	3.1
209.11815	100.0
210.12120	6.8
211.13295	4.8
223.13568	4.4
225.11186	3.5
237.14931	69.7
238.15210	5.1
243.17537	7.8
247.13235	9.5
249.14888	4.7
261.18591	5.0
265.14398	16.1
279.19623	5.6
287.16476	29.4
288.16800	4.5
305.17578	53.7
306.17896	7.0
323.18674	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.0
57.03438	10.6
59.01381	14.3
71.01386	6.2
71.05016	12.8
73.02944	3.7
80.02673	5.1
81.03445	6.1
83.01365	17.0
83.05040	10.3
84.02151	4.1
85.02940	3.8
93.03458	3.9
95.05028	49.6
97.02963	5.2
97.06590	19.1
98.19896	9.4
107.05029	4.6
109.02883	3.1
109.06569	8.5
111.04517	3.4
113.06091	12.9
121.06598	5.3
123.04523	10.6
123.08176	8.3
125.06079	4.5
125.09712	29.2
127.07594	3.6
130.08804	4.7
135.08134	21.8
136.05315	3.7
137.06128	3.9
141.12886	3.9
144.83475	3.2
149.09749	4.8
153.09192	6.4
163.11282	15.6
165.12831	6.7
167.10727	3.4
171.10205	4.8
185.11865	23.3
189.12805	4.8
191.10756	4.7
203.14398	9.0
209.11823	100.0
210.12175	6.2
211.13350	7.1
221.11957	3.2
223.13419	3.4
228.61397	3.0
229.11835	4.0
237.14980	7.3
243.17558	5.6
247.13370	10.9
249.14839	5.2
265.14417	29.3
266.14847	4.2
279.19669	4.6
287.16501	9.6
305.17538	35.4
323.18567	65.0
324.18964	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05894	1.0
57.03431	1.0
58.00585	2.4
59.01378	100.0
59.36302	1.1
60.01724	1.4
61.69800	1.0
64.21468	1.3
69.46445	5.3
69.46847	2.1
71.01379	50.3
72.99280	3.7
73.02952	1.2
75.82644	1.1
77.45740	1.1
80.45944	1.0
83.01400	1.9
85.02953	8.4
87.00878	2.0
88.50947	1.1
89.02440	56.7
95.01399	1.8
101.02439	31.8
103.88213	1.1
113.02447	18.6
119.03493	24.0
120.03819	1.3
131.03488	2.7
143.03476	2.6
149.04613	1.4
150.95134	1.1
161.04553	2.7
179.05611	2.9
231.31949	1.2
323.13440	87.3
324.13687	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03425	1.2
58.00581	3.4
59.01379	100.0
69.51550	0.9
71.01379	48.6
72.99309	2.5
73.02934	1.1
76.45976	1.1
83.01390	2.9
85.02962	10.5
87.00871	1.5
89.02443	53.1
95.01365	4.4
101.02435	32.0
101.49031	0.9
113.02454	16.5
119.03500	27.9
131.03514	1.3
134.05211	0.8
137.10416	0.9
143.03493	2.3
149.04547	0.9
161.04547	2.3
161.08139	2.0
179.05606	3.2
197.33749	1.0
323.13449	89.5
324.13776	3.9
348.31940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75097	0.9
59.01379	100.0
60.01723	0.9
71.01379	7.8
71.52211	1.5
73.02940	1.3
73.28223	0.9
75.00874	1.2
78.56239	0.8
83.01376	1.1
85.02960	2.9
86.50353	0.9
89.02438	5.5
97.55855	0.8
99.92572	1.0
101.02438	4.7
101.06122	1.1
113.02431	3.3
119.03491	1.3
143.03510	1.1
161.04529	4.6
202.15079	1.0
250.71425	1.0
263.11307	2.1
323.13510	3.2
326.05502	1.0
326.09436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34448	1.6
57.95336	1.4
58.93979	1.3
59.01377	100.0
71.01376	6.2
71.53801	3.0
85.02946	2.9
89.02463	2.7
93.03455	49.8
93.04024	3.1
96.95985	2.9
101.02446	2.0
102.71806	1.5
106.02853	1.5
113.02467	4.1
121.02988	1.7
135.04556	2.7
137.02440	75.1
138.02798	2.3
151.03940	2.8
158.54924	1.5
161.02461	3.1
179.03542	2.6
226.56261	1.4
281.06656	4.3
323.13657	1.9
323.17758	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	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43791	1.0
59.01379	100.0
60.03119	0.9
69.03461	1.1
69.24522	9.8
71.01385	3.3
85.02959	1.8
87.82610	1.0
89.02448	1.2
93.03456	28.1
94.03797	1.7
100.34798	1.0
101.02434	2.1
106.04237	1.4
108.02155	1.5
109.06602	1.2
113.02430	3.8
117.24220	1.1
121.02934	1.1
125.09714	1.0
135.08148	3.8
137.02443	40.7
137.06050	4.5
138.02792	1.1
138.23488	0.9
143.03416	1.4
146.57126	0.9
149.02478	1.1
151.04062	1.3
154.66423	0.9
159.04710	1.0
160.05330	1.9
161.04594	1.0
166.93152	1.0
185.11795	8.7
191.03468	1.2
195.04739	0.9
203.10776	3.3
209.11891	1.4
229.33913	1.0
239.98547	1.0
265.08618	6.8
281.06656	3.2
287.16583	2.1
293.08237	11.7
305.17523	12.2
307.09735	2.4
308.10483	7.0
323.12848	5.6
323.18613	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	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.26721	0.3
58.02967	1.9
59.01388	0.5
68.25983	0.3
69.75850	1.1
71.01389	0.3
77.14890	0.3
81.03467	0.5
83.05021	0.4
87.47029	0.3
94.22679	0.3
95.05027	0.9
97.06586	0.5
107.05058	0.5
109.06589	0.9
113.00346	0.2
113.06232	0.4
117.58045	0.3
125.09749	0.4
128.10818	7.0
130.08731	100.0
131.09074	3.1
153.09218	0.3
163.11324	0.5
165.12846	1.1
170.89403	0.3
172.09721	0.6
179.10745	0.4
191.05693	0.3
197.11829	0.7
209.11803	4.1
237.02530	0.3
287.16605	0.5
305.17557	3.8
322.20200	29.5
323.21054	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01872	1.4
57.03432	1.4
58.00589	2.1
59.01379	80.0
66.97673	1.1
67.25578	1.2
69.32069	6.3
69.32497	4.4
71.01379	44.4
72.99299	3.4
73.02943	4.6
78.63177	1.2
83.01382	4.7
85.02954	11.8
89.02444	35.8
93.03462	3.0
94.84329	1.1
95.01370	4.3
95.05025	1.6
97.02957	2.3
98.19933	2.5
99.00878	1.3
101.02436	28.6
109.02959	2.3
111.00868	2.2
113.02453	14.4
117.03442	1.8
119.03498	15.9
119.04926	1.3
123.87283	1.5
125.02439	5.1
126.15474	1.3
137.02454	2.3
139.00374	2.9
139.04028	4.4
139.07646	19.0
141.81035	1.1
145.02940	7.0
149.04543	1.9
157.08684	3.5
161.02452	1.2
165.01884	3.8
169.01483	1.3
179.05530	1.9
183.01573	1.1
183.02966	7.1
272.67773	1.5
290.00061	1.2
319.13956	100.0
320.14392	6.3
321.79416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04000	0.4
59.01378	100.0
60.01701	0.5
69.03454	0.6
71.00418	1.0
71.01387	2.2
89.02453	4.5
95.01414	0.5
101.02448	1.7
113.02464	1.0
119.03513	2.0
125.02461	1.5
169.01489	1.8
234.36232	0.5
321.10095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
51.86732	0.5
54.24697	0.5
57.03432	1.7
59.01366	2.4
60.26334	0.6
69.03436	0.9
70.28514	2.3
75.60497	0.8
83.05054	0.7
95.05014	1.5
97.02975	1.1
97.06586	1.9
103.00502	0.6
105.07088	0.6
107.05038	1.1
109.02962	0.7
109.06571	2.0
121.02934	2.6
121.06618	1.0
122.03736	6.0
123.04538	1.4
123.08130	2.9
125.09740	7.7
133.06601	3.4
135.04488	5.1
135.08113	0.8
136.01591	0.8
136.05321	9.1
137.06036	0.9
141.12766	0.6
146.54643	0.7
149.06067	4.5
150.06888	3.2
151.04002	1.4
151.07648	25.9
152.07932	1.8
159.04501	1.6
162.03239	1.7
163.11285	1.0
174.06879	1.7
177.05565	70.0
178.05928	2.9
185.11829	9.2
197.11751	1.7
199.76038	0.6
203.88486	0.6
207.10237	2.7
209.11795	3.3
225.11285	1.4
259.16891	3.3
275.16714	1.1
277.18103	5.6
285.14969	6.1
287.47644	0.7
303.16003	25.8
304.16415	2.8
321.17032	100.0
322.17380	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	321.2433
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
53.08464	1.0
56.88190	1.1
56.92119	1.2
59.01361	4.9
63.37771	1.1
71.01350	2.1
71.52457	1.8
78.95892	7.2
80.96510	10.7
85.02958	1.5
90.84035	1.1
108.15102	1.2
149.02350	1.7
154.71780	1.4
154.88727	1.2
162.81976	1.1
195.13997	1.4
223.17043	12.7
224.17607	1.9
225.11246	1.7
233.15540	2.4
251.16484	14.3
252.17162	1.4
256.16714	3.5
284.16257	3.8
289.18243	1.5
303.23267	10.0
321.17218	2.9
321.24341	100.0
322.24716	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.14973	0.5
54.17279	0.4
59.01373	0.5
65.44353	0.5
69.25685	4.1
71.01378	1.3
73.02936	1.2
81.03459	1.2
83.43673	0.4
85.02959	2.1
93.03445	0.5
95.01362	1.0
96.49330	0.5
101.02438	1.4
108.02171	100.0
109.02971	24.8
110.03301	0.9
113.02402	0.6
121.02964	0.8
123.00881	1.0
123.04548	1.0
125.02408	0.5
127.25301	0.5
135.04553	0.7
151.04025	1.7
152.01146	61.1
153.01942	25.1
153.05589	0.8
154.02267	0.5
163.04016	1.1
165.01900	2.0
179.03571	0.6
181.03223	0.4
222.21011	0.5
315.07193	66.8
316.07562	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.89555	0.3
59.01374	0.6
65.03960	0.5
68.96059	0.4
71.01392	0.4
71.05498	0.8
76.57600	0.4
78.51544	0.3
101.02427	0.4
109.02932	4.6
113.02476	0.5
113.98265	0.3
122.03737	0.4
123.04519	73.1
124.04853	3.0
125.02452	1.2
130.65570	0.4
151.00377	0.7
153.02057	3.3
153.05565	100.0
154.05928	3.9
169.01404	1.5
307.38379	0.4
309.42981	0.4
315.07196	3.3
315.10846	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	317.03
Annotation	Myricetin
Peak:m/z	Relative Intensity
67.01866	0.4
68.99805	0.3
69.03463	0.3
70.85858	0.8
77.03960	0.8
79.01885	0.3
83.01385	1.1
93.03439	1.8
95.01396	0.4
97.02943	4.0
109.02956	1.1
121.02953	5.3
123.00896	0.9
137.02432	24.1
138.02795	0.6
151.00375	0.9
164.01210	0.4
165.01918	100.0
166.02255	4.1
172.16028	0.3
248.59456	0.3
274.09366	0.3
296.55371	0.3
317.03015	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	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65122	0.6
55.01873	1.7
56.87053	0.6
61.77434	0.6
65.11939	0.6
69.03450	0.8
71.01565	0.9
71.01889	0.8
71.05020	10.0
76.63178	0.7
88.33319	0.6
95.05022	20.3
96.05392	0.7
97.02950	30.6
98.03310	0.9
109.02225	1.2
109.02953	19.3
110.03252	0.8
115.04031	3.5
121.02959	0.9
137.02449	3.0
139.04010	67.2
140.04350	2.4
142.97224	0.6
153.01926	27.1
165.01935	9.9
183.02974	100.0
184.03290	3.8
186.85226	0.6
209.66478	0.6
238.04143	0.6
249.30556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.83833	2.6
69.84179	0.8
69.85474	0.5
71.01398	2.1
73.02936	1.3
81.03441	1.4
85.02947	2.2
88.93805	0.5
93.03452	0.7
95.01392	1.4
101.02426	1.0
102.15277	0.5
106.58524	0.5
108.02171	100.0
109.02974	36.8
110.03282	1.0
113.02455	1.0
114.49886	0.5
114.64536	0.5
121.02946	1.2
123.00918	1.2
123.04494	0.8
133.02899	1.1
135.04602	0.5
151.03995	1.2
152.01147	69.5
153.01941	30.3
154.02284	0.6
163.04008	1.1
165.01901	2.1
169.66243	0.6
196.47414	0.6
205.61201	0.6
205.63232	0.6
243.55070	0.6
315.07199	77.4
316.07535	5.7
317.99860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
58.00579	1.3
59.01107	1.4
59.01380	17.9
59.80518	0.8
61.22003	0.9
67.01896	1.6
68.99780	1.2
69.03424	0.9
71.01379	5.4
71.52179	1.7
72.99289	1.2
73.02962	2.1
79.01890	2.3
83.01395	1.4
85.02947	4.2
88.15793	0.9
89.02436	2.4
93.03465	0.9
95.01390	3.8
101.02436	2.3
107.01370	6.6
108.02174	3.7
109.02957	6.9
111.00874	1.6
123.00875	26.0
123.04510	4.0
125.02443	24.8
135.04480	1.0
139.00371	8.1
140.01146	2.6
141.01941	3.3
147.73160	0.9
149.02388	1.3
149.06116	1.0
151.00363	23.5
152.01086	1.7
153.01926	8.0
153.05548	7.7
161.39301	0.9
168.00636	2.9
169.01411	48.4
170.01770	1.8
191.05638	1.5
204.93816	0.9
211.02509	4.9
225.87231	0.9
227.07269	1.0
229.01515	1.0
255.05116	3.9
275.01788	1.1
300.99915	1.7
302.03714	1.0
315.07227	100.0
316.03311	6.6
316.07535	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	313.238
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.73179	0.3
59.01381	0.8
71.01374	0.4
71.53480	0.6
99.50488	0.4
118.35482	0.4
119.86556	0.4
121.02929	1.4
125.09733	0.7
127.11272	1.3
139.11330	0.7
141.12834	0.5
155.10767	3.3
157.12251	0.4
168.34558	0.4
171.10240	4.0
262.96338	0.3
277.21515	0.8
295.22882	7.3
296.23093	0.5
311.22348	1.2
313.23834	100.0
314.24182	9.9
316.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63132	0.2
75.90975	0.2
98.19842	0.4
132.02147	0.7
144.02176	0.5
147.00829	0.3
148.01642	0.5
151.90674	0.2
156.02118	0.2
160.01639	1.8
172.01643	1.5
176.01196	0.4
184.01558	0.2
187.00385	0.4
188.01144	1.2
191.05765	0.2
197.11755	0.5
199.00401	0.3
200.01146	3.0
214.99821	0.6
216.00610	4.8
217.01044	0.4
226.76065	0.2
226.99895	0.6
228.00616	0.8
230.99377	0.3
241.10674	0.3
242.99335	2.6
244.00067	3.7
245.00717	0.3
270.98843	2.0
271.10849	0.9
271.99631	0.9
282.98810	0.6
286.98117	0.2
298.98364	1.6
299.99088	100.0
300.99420	6.8
301.02899	0.3
315.01440	52.3
315.98401	0.2
316.01764	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	315.0146
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
59.88899	0.2
69.49323	0.6
69.49741	1.1
81.70578	0.3
84.61626	0.2
88.02623	0.2
90.74086	0.2
104.02710	0.3
132.02179	0.8
144.02145	0.6
148.01642	0.5
160.01669	1.4
172.01654	2.0
176.01216	0.4
188.01135	1.5
197.11827	0.5
200.01134	2.9
214.99910	0.5
216.00612	4.1
226.99867	0.9
228.00587	0.7
230.99335	0.3
242.99329	2.5
244.00081	3.7
270.98901	2.2
271.10849	0.5
271.99554	1.1
282.98767	0.5
293.66364	0.3
298.98312	1.5
299.99081	100.0
300.99411	7.2
315.01431	56.0
316.01746	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01355	0.7
65.04585	0.5
68.73250	0.5
70.19749	0.5
70.38811	1.9
88.29729	0.5
111.08118	0.6
124.11871	0.5
125.09721	0.6
127.11286	1.4
129.09236	1.2
141.09128	0.6
142.10028	0.7
153.11726	0.7
153.12868	4.4
169.12341	2.1
181.12361	10.7
182.12646	0.5
196.90732	0.5
197.11838	1.1
199.13397	2.2
227.12926	0.6
228.13609	1.5
243.45959	0.5
249.22255	1.1
265.21814	0.9
267.23245	1.1
293.21234	7.8
294.21515	0.6
311.22263	100.0
312.22586	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	312.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
59.25074	0.3
65.52104	0.3
69.25816	1.3
69.26239	1.8
87.18102	0.3
105.73985	0.3
117.03477	0.4
129.03450	0.6
133.02971	0.4
135.04565	2.0
141.03418	0.4
145.02930	0.7
147.04495	1.1
155.01320	0.4
157.02953	2.1
161.02414	0.6
169.02864	0.9
170.28398	0.4
171.00874	0.8
173.02377	2.2
179.03513	1.3
183.00836	0.3
185.02415	5.1
187.00386	1.0
187.03973	0.4
199.00377	2.2
200.01123	1.3
201.01961	2.9
213.01923	5.0
214.02271	0.4
214.99847	0.9
215.82524	0.3
217.01534	0.3
226.99850	7.2
228.00465	0.9
229.01390	3.2
230.99254	0.8
240.37115	0.4
241.01361	2.8
254.99319	6.2
256.00070	0.8
257.00879	2.4
268.00085	2.2
270.98666	0.6
282.98819	9.8
283.99591	12.5
285.00366	16.9
286.00702	1.6
310.98276	4.8
311.98999	0.8
312.99869	100.0
314.00244	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
57.29499	0.2
63.40311	0.2
64.70323	0.2
64.74146	0.2
71.10500	0.7
77.03969	0.3
108.02135	0.3
121.02953	100.0
122.03285	3.8
123.36062	0.3
125.06087	0.4
125.09737	0.8
141.15012	0.2
143.07068	0.4
147.26318	0.2
180.05785	0.8
181.06589	4.2
182.07039	0.4
187.09749	1.0
225.05582	6.9
226.05887	0.6
233.79022	0.3
265.45993	0.3
269.08057	0.4
313.07141	12.4
313.23798	0.4
314.07629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0926
Annotation	Pungenin
Peak:m/z	Relative Intensity
59.01110	0.8
59.01380	8.5
70.99934	0.9
71.00243	1.2
71.01388	7.9
73.02916	1.1
75.00867	4.9
83.01399	1.2
85.02950	3.1
85.22924	0.7
87.00849	1.6
89.02437	2.8
93.03455	39.3
95.01357	0.9
95.05011	1.3
101.02414	3.7
107.05023	6.8
108.00827	0.7
108.02164	1.3
113.02433	2.5
119.05014	2.7
121.02943	3.6
123.04521	6.8
129.01913	1.3
133.02934	1.7
135.04503	5.7
137.02412	2.2
149.02438	12.7
151.03996	53.1
152.04323	2.0
163.04001	2.7
164.99059	0.9
181.04950	0.9
195.66708	0.7
313.09259	100.0
314.09561	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01363	3.2
62.63665	1.1
71.22861	1.7
83.04988	1.0
87.81755	0.9
99.08144	4.6
112.33646	0.9
113.09718	4.0
115.61147	0.9
127.11257	1.0
129.09225	9.4
139.11275	1.9
151.11307	1.0
153.12813	1.0
155.10649	1.0
162.49348	0.8
169.12379	4.3
171.10266	9.4
181.12367	6.6
183.13867	2.4
185.11919	1.0
193.12247	2.1
197.11807	13.1
198.12056	1.4
199.13408	6.6
201.11285	1.6
211.11462	1.8
211.13391	21.1
212.13710	1.4
235.45287	0.9
275.20139	2.6
281.30441	0.9
293.21237	19.2
294.21576	1.5
311.22263	100.0
312.22656	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.13848	0.3
55.91643	0.2
59.01360	0.9
67.79415	0.3
70.92902	0.6
78.55048	0.3
97.06603	0.5
99.08103	0.4
113.09714	1.2
115.07658	1.6
127.07624	0.8
128.08421	1.2
139.11252	0.3
167.14413	3.8
183.13908	2.8
195.13884	12.4
196.14217	0.8
211.13376	1.2
212.13667	0.3
213.15010	1.6
241.14497	0.5
242.15201	1.1
243.37460	0.3
246.16884	0.3
246.30165	0.3
248.42754	0.2
249.22227	0.7
265.21701	0.8
267.23248	1.0
275.20279	0.4
277.12595	0.3
281.21240	0.4
283.22830	0.4
293.21198	8.3
294.21552	0.6
311.22247	100.0
312.22614	9.2
312.25381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.3
58.00583	0.7
59.01366	2.6
70.83750	1.2
70.84093	1.1
79.98933	0.6
83.05003	1.5
97.06564	0.9
99.08143	3.4
111.08160	1.0
113.09745	3.3
125.09716	0.7
127.07623	1.1
127.11285	1.5
129.09215	8.5
139.11290	2.5
151.11243	0.9
151.77632	0.7
153.12852	1.0
155.10768	1.6
163.11359	0.7
167.14374	1.3
169.12315	4.2
171.10246	8.3
179.10730	0.6
181.12331	7.8
183.13881	2.9
185.11815	1.1
193.12396	3.1
197.11832	15.0
198.12074	1.1
199.13359	7.9
201.11272	1.0
211.13383	26.6
212.13759	1.5
223.20667	1.9
227.12889	0.8
260.35861	0.6
265.21747	1.1
267.19659	0.8
275.20090	2.5
287.65973	0.7
287.69391	0.7
293.21201	23.1
294.21588	2.4
311.22260	100.0
312.22589	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	1.2
66.71907	0.9
69.80460	1.9
69.80872	2.6
71.01075	0.8
71.01392	10.5
71.28207	1.0
73.02935	3.4
83.01369	1.3
84.08145	0.9
85.02932	3.1
87.00864	1.2
89.02449	4.8
99.00916	2.2
101.02444	8.6
109.02939	1.6
113.02429	4.2
119.03515	1.7
131.03500	1.2
135.04510	2.3
138.35776	0.9
141.19908	0.8
159.03040	1.4
161.04556	8.1
167.54214	0.8
171.04510	1.1
177.05537	1.5
189.05580	6.4
205.04993	0.9
251.11357	13.9
252.11932	1.1
296.02036	1.0
311.10095	4.7
311.22202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38676	0.3
79.95745	1.4
89.73462	0.3
98.19876	0.8
119.05022	0.9
170.00444	1.3
183.01190	49.8
184.01912	4.3
197.02750	1.8
198.03395	0.4
216.00914	1.4
225.05957	0.5
230.02560	0.5
239.07458	0.4
247.20602	0.4
311.16840	100.0
312.17172	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1862
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01277	3.2
59.01604	1.1
70.20260	0.4
71.53329	1.0
121.02863	0.8
122.03637	1.1
126.03146	0.5
126.32140	0.5
167.14279	1.6
168.04237	0.6
183.01183	0.6
223.20717	2.3
231.17499	0.8
249.18521	3.9
267.19632	100.0
268.19980	8.8
275.16489	6.5
276.16910	0.9
293.17581	33.6
294.18036	3.2
311.18686	30.8
311.22134	4.8
311.29449	1.0
312.19131	2.9
312.22342	0.7
313.64130	0.5
332.70969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.4
58.00573	1.5
59.01366	3.0
65.48765	0.9
69.03473	1.2
98.20664	2.5
99.08155	6.1
113.09729	5.3
125.09740	0.9
127.07610	1.4
129.09227	15.4
141.09293	0.9
151.11298	1.3
153.12877	2.3
163.11279	1.3
169.12308	2.9
181.12357	10.1
183.01259	1.4
183.13918	3.6
193.12332	3.4
197.11839	14.9
198.12167	1.7
199.13354	6.5
207.23238	1.0
211.13396	32.7
212.13751	1.4
213.14993	13.1
275.20209	1.7
293.21207	26.9
294.21414	2.8
311.22266	100.0
312.22574	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.12099	9.8
51.91698	9.3
59.01374	21.1
65.24870	10.1
71.00428	11.9
71.00740	11.9
100.16248	9.2
111.08143	42.2
124.04384	10.0
195.13861	27.2
209.11897	12.6
223.13379	15.7
287.76224	10.6
291.19656	100.0
308.91467	12.0
309.15158	12.6
309.20688	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03442	3.7
57.65788	1.1
59.01380	8.4
59.34871	1.2
69.03439	1.4
71.01373	2.2
71.05026	16.6
71.52706	1.8
73.02936	1.4
74.85585	1.2
83.05020	2.0
85.02971	1.4
93.03454	1.8
95.05000	1.4
97.06582	5.3
97.35142	1.2
107.05024	1.8
108.86781	1.2
111.08148	3.0
114.80655	1.2
121.10247	9.8
123.04456	1.9
123.08123	1.3
125.09711	8.1
127.07613	1.3
133.06544	1.2
135.08102	1.4
137.09732	19.0
165.12814	2.2
171.10271	39.1
181.12405	1.5
185.11813	15.4
186.12015	1.5
192.29034	1.3
193.12248	1.4
197.11841	9.0
207.13914	1.9
209.11832	2.4
211.13362	4.4
219.14107	1.6
235.17007	2.2
237.14922	2.5
247.20602	3.2
251.16510	41.2
252.16939	1.6
265.18027	1.6
273.18558	3.9
280.61066	1.1
291.19647	100.0
292.19904	8.6
309.03885	1.7
309.20703	99.0
310.21030	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	311.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
57.68271	0.9
59.01378	100.0
68.95326	1.1
69.17526	1.1
71.01377	7.9
71.09533	2.2
73.02940	2.5
85.02962	2.9
89.02418	6.0
96.36063	1.1
97.02914	1.2
98.20659	1.1
101.02437	11.2
105.08944	1.1
113.02452	4.4
129.31116	1.0
135.04474	1.4
149.06006	1.7
154.38753	1.3
161.04549	8.0
161.05894	1.7
189.05513	5.6
251.11330	18.0
255.61212	1.1
311.09830	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.3
59.01361	2.2
69.03456	2.4
71.45133	1.7
73.02952	1.3
74.46313	1.1
92.72709	1.2
97.06575	1.3
109.06571	1.9
111.08160	31.3
127.07640	2.4
129.50134	1.1
153.12805	1.4
167.10690	1.2
169.12300	7.9
181.12361	2.4
183.13869	2.7
197.11833	100.0
198.12167	5.0
199.13351	4.1
203.26753	1.1
211.13414	14.0
227.12840	2.6
263.20187	6.5
265.18057	2.4
273.18362	2.4
277.37997	1.4
291.19632	17.3
308.84622	1.1
309.20728	34.3
310.21078	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03449	0.8
59.01376	1.3
60.59116	0.4
64.21431	0.5
67.05534	0.4
70.84891	0.9
70.85247	1.1
75.00220	0.5
75.41714	0.4
79.42662	0.4
81.03492	0.5
83.05013	0.9
93.19000	0.5
95.04987	0.6
97.06586	1.9
111.08155	0.8
113.06142	0.5
113.09713	3.4
115.07639	1.9
123.04523	0.5
125.06062	0.6
126.06855	1.4
139.11256	1.0
141.09184	2.2
151.11249	0.5
155.10690	0.7
163.11253	0.8
163.69923	0.5
165.12846	3.3
167.10785	0.6
167.14452	1.8
170.41302	0.4
181.12340	4.9
182.44118	0.5
183.13869	1.5
193.12306	2.4
193.15891	0.8
194.65102	0.4
195.13855	2.0
211.13350	4.7
213.14972	1.1
221.15521	2.2
239.12834	0.6
240.13733	2.1
242.15353	0.5
245.19081	0.5
247.20622	5.9
263.20065	0.7
265.21771	0.6
273.18530	3.4
281.21161	1.4
291.19647	48.6
292.20029	4.5
307.89767	0.5
309.20685	100.0
310.21045	8.4
327.25281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26701	0.4
51.95424	0.4
57.03440	1.3
59.01371	1.4
70.54453	0.7
70.54787	0.6
71.01363	0.7
80.02680	0.5
97.06598	0.4
99.04489	0.5
99.08083	0.4
109.06577	1.1
111.08147	3.0
120.05824	0.5
121.06585	0.4
125.09703	0.6
127.11303	2.2
129.09261	0.7
141.09096	0.5
149.09700	0.7
151.11243	1.4
153.09184	1.0
153.12851	5.0
155.10786	2.3
164.37482	0.4
165.12827	1.2
166.09966	0.6
167.10756	1.7
169.12312	1.2
179.10820	0.7
179.14430	2.4
181.12364	4.2
193.15953	1.1
196.34315	0.4
197.11829	5.1
199.13383	1.2
207.13908	2.6
215.12883	0.8
226.12152	0.7
227.12883	1.5
228.13591	1.6
237.22215	0.5
241.14351	0.6
247.20659	5.5
248.21083	0.7
263.20084	1.2
265.21637	1.2
266.00674	0.5
273.18573	2.8
281.21161	1.6
291.19647	42.8
292.19958	5.1
309.20697	100.0
310.21057	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01872	2.1
57.03431	1.9
59.01378	6.7
69.03457	1.0
71.01376	1.5
71.05015	9.6
71.53535	1.3
73.02946	1.6
83.05009	1.3
95.01369	4.3
96.96009	1.5
97.06595	8.2
99.00877	45.0
100.01274	0.9
109.02944	1.0
109.06606	1.4
110.03733	1.5
111.00824	0.9
111.08143	3.6
117.01949	1.9
121.10222	1.0
125.09715	1.8
127.11309	1.8
135.08110	1.0
137.06067	4.4
137.09688	3.3
151.04024	1.1
151.07617	5.1
151.11295	0.9
152.08401	4.1
153.09265	2.0
153.12834	2.2
155.10715	1.5
165.12810	1.8
167.10747	4.9
171.10271	7.4
179.14420	1.4
181.12305	3.3
183.13879	1.6
184.07375	1.7
185.11746	1.4
190.09982	2.2
193.15878	1.3
197.11789	4.1
207.13905	3.0
208.11017	3.7
209.11604	1.0
209.15462	23.0
210.15721	1.1
211.13506	8.3
219.13913	1.1
221.19141	2.0
223.13400	1.2
225.14958	2.0
235.16986	1.3
237.15010	2.0
247.17003	2.9
247.20612	3.4
251.16487	3.4
265.18066	5.9
265.20901	0.8
273.18518	2.1
291.19641	45.7
292.19849	4.1
309.04337	1.1
309.17105	6.0
309.20648	100.0
310.21033	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38490	0.7
57.03298	0.9
57.03531	1.1
59.01471	1.0
61.22189	0.6
69.37053	5.1
69.37440	1.5
71.05128	0.8
71.57417	0.7
97.03101	0.9
98.03861	1.0
109.06683	0.8
111.08278	1.2
123.08290	1.3
125.09893	2.8
137.09875	1.2
139.11453	0.8
151.04086	0.9
151.07730	1.2
152.08607	2.0
153.12961	1.1
162.10507	0.9
163.11293	4.2
165.09297	0.8
165.12849	8.1
166.10025	1.0
171.10431	1.1
177.12961	0.7
179.14554	2.0
181.12340	4.3
185.11969	1.5
193.16170	1.2
197.11855	3.6
209.11929	1.9
209.15599	3.0
211.13487	0.7
223.13495	2.7
224.14268	0.7
225.99477	0.7
234.90344	0.8
247.20648	7.3
265.18143	1.4
273.18649	2.6
291.19653	100.0
292.20023	9.4
309.17209	4.8
309.20673	72.6
310.21057	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10016	1.0
59.01369	1.1
69.96176	2.1
69.96568	2.3
91.57967	1.0
93.07049	1.8
111.08158	40.3
127.07616	1.9
153.12865	1.2
154.16010	1.0
161.64799	1.0
169.12292	6.6
179.10725	1.1
180.89980	1.2
181.12343	1.9
183.13907	1.3
197.11826	100.0
198.12143	6.1
199.13368	3.2
209.15475	1.8
211.13374	11.0
214.36034	1.0
227.12842	4.1
247.20576	1.3
249.41022	1.0
254.14027	1.2
263.20129	4.6
265.18033	2.9
273.18689	2.4
291.19678	20.7
292.19922	2.2
309.17200	2.4
309.20685	39.5
310.21051	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01879	0.9
57.03439	1.1
57.82344	0.7
58.00594	1.5
59.01378	59.6
71.01379	28.4
71.01668	0.5
71.01778	1.0
71.04997	1.0
72.99294	2.9
73.02930	2.0
75.00877	1.6
83.01391	2.0
83.05006	1.9
85.02947	6.8
87.00856	2.8
89.02440	25.1
95.01353	2.3
99.00851	1.3
99.04512	1.2
101.02440	20.0
101.06051	2.2
111.04520	1.8
113.02448	11.1
119.03491	10.3
120.99680	1.4
127.46053	0.9
129.05589	12.8
131.03557	1.0
143.03471	0.9
147.06642	9.9
161.04565	0.9
179.05576	0.9
183.39291	0.9
267.61481	0.8
309.11880	100.0
310.12219	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	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.59277	1.5
55.01867	5.3
57.03439	4.0
58.00587	3.8
59.01376	100.0
60.08245	1.6
69.03448	8.3
70.18015	7.4
71.01377	77.2
71.05013	2.3
72.99318	2.6
73.02943	11.6
75.00868	4.1
81.03448	13.7
83.01383	7.3
83.05015	7.8
84.02203	2.1
85.02946	24.8
87.00869	29.1
87.04501	3.5
89.02444	58.2
95.01384	6.8
97.02959	6.2
99.00883	4.4
99.04517	23.5
101.00970	2.0
101.02435	52.6
111.04533	11.5
113.02446	28.3
119.03506	24.1
124.98796	2.6
129.05547	4.4
136.04810	2.0
143.03508	3.1
147.06636	67.1
159.02960	4.9
161.04535	15.4
167.01926	2.6
168.99988	2.6
179.05626	3.5
192.30029	1.7
198.99454	4.4
212.98886	4.2
219.08653	4.7
223.31572	1.6
224.98903	2.6
241.00490	7.0
247.85944	1.7
254.20985	2.0
254.69894	2.0
303.62369	2.0
309.08270	6.5
309.11868	56.5
310.12350	3.4
321.19632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.264
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
51.38147	0.8
70.34316	1.1
70.34695	1.8
83.01320	0.9
89.92757	0.8
93.51543	0.8
94.31869	0.8
108.42362	0.9
109.20986	0.8
125.59914	0.8
134.82208	0.9
135.04526	13.1
141.61069	0.8
155.50523	0.8
164.43158	0.8
179.03471	14.2
183.18237	0.8
183.63455	0.8
307.08136	1.7
307.26425	100.0
308.26782	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08727	0.6
55.01878	0.8
57.03426	0.7
58.00576	2.1
59.01380	44.6
60.01682	0.6
69.57217	1.6
69.57623	3.2
71.01381	23.0
71.05022	0.8
72.99299	3.0
73.02943	1.9
74.82078	0.6
83.01363	1.8
83.05042	3.0
85.02946	6.2
87.00855	1.2
88.06705	0.6
89.02442	21.8
89.07440	0.7
95.01376	1.6
98.20668	1.2
100.12946	0.7
100.40562	0.7
101.01799	0.9
101.02441	17.1
101.06059	1.5
111.04513	1.5
113.02454	8.2
119.03484	7.5
129.05579	16.1
135.04524	5.9
136.04828	2.7
143.03519	0.7
147.06653	8.1
148.86798	0.7
149.04672	0.8
161.04520	1.5
179.05598	0.9
205.58780	0.6
299.04507	0.7
309.11917	100.0
310.12256	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01354	1.2
63.95288	0.3
78.34307	0.4
80.55268	0.5
82.36568	0.4
84.34475	0.4
96.95995	1.1
113.09722	0.5
135.04518	3.5
179.03494	3.0
186.91309	0.4
247.51607	0.4
272.82877	0.5
289.18130	1.6
294.92865	0.4
307.22763	100.0
308.19525	0.6
308.23099	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	307.2278
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03441	1.9
59.01378	13.1
60.11466	1.0
67.61365	1.0
69.03456	1.5
71.01363	3.1
71.34254	1.1
83.01338	1.3
83.05004	1.3
89.00237	1.1
95.05033	2.6
96.95980	1.2
97.06618	1.1
100.94830	1.0
101.02452	1.2
111.06150	1.5
121.06606	1.5
123.08051	1.4
123.57909	1.1
125.09781	1.6
133.02893	1.3
134.39223	1.2
135.04517	20.5
154.80818	1.0
161.02441	1.7
161.04570	1.4
163.06082	1.1
163.11298	1.6
165.12753	1.2
167.10765	1.3
177.12854	5.4
177.16437	2.1
179.03488	22.6
179.14421	11.8
195.13841	4.1
205.12305	2.9
205.15872	7.5
223.13379	18.9
224.13664	1.5
231.21202	6.9
245.19135	2.8
253.33461	1.3
275.20139	92.6
276.20413	8.0
289.18063	9.9
307.07788	2.2
307.10825	2.1
307.19174	12.1
307.22714	100.0
308.19220	2.3
308.23047	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79352	1.0
55.87797	1.2
56.43340	1.2
56.72761	1.0
57.03429	2.2
59.01374	12.4
63.50746	1.0
66.37251	1.0
69.37901	2.0
69.38306	8.2
71.01363	5.0
80.02687	1.4
81.03459	1.5
85.02956	3.2
89.02438	2.1
97.02946	2.4
97.06603	2.3
98.03718	1.9
98.20672	2.5
99.68025	1.2
101.02435	1.4
106.04230	1.7
109.02944	1.9
109.06573	4.1
111.08132	1.4
119.04942	1.2
121.06641	1.3
123.04514	2.1
123.08098	1.2
125.09734	4.2
127.11288	2.2
133.02972	2.1
135.04523	39.1
136.04800	1.7
137.02371	1.4
137.06073	2.5
137.09708	2.5
138.06895	1.3
140.97339	1.1
144.86005	1.2
149.09702	2.8
151.11240	3.1
153.09216	3.1
153.12825	3.2
155.10759	8.9
161.02400	2.9
161.04507	1.9
163.11293	3.4
167.10719	3.2
168.11473	2.6
169.12251	2.2
177.12811	3.1
179.03487	34.0
179.10776	2.0
180.03833	2.1
181.12338	2.0
185.11842	4.1
191.14397	6.9
195.10306	2.9
197.11826	1.8
199.17120	1.3
203.64197	1.1
205.12273	2.2
207.10262	2.0
209.11830	3.5
224.10542	2.3
225.11308	2.2
226.12120	1.4
239.09302	3.5
245.19080	33.9
246.19559	2.5
260.77063	1.2
263.20193	8.6
271.17044	3.3
279.19705	2.1
284.77597	1.1
289.18063	48.4
290.18454	4.3
307.07520	1.7
307.10309	5.0
307.19116	100.0
308.19348	11.1
311.89270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71233	0.9
51.07314	1.2
54.91077	1.3
57.03445	2.1
59.01377	9.9
69.03446	1.4
71.01389	2.9
76.94223	1.0
81.03461	1.8
82.74500	1.2
83.05015	1.4
85.02941	2.1
95.05016	1.9
97.02949	2.7
97.06625	1.6
98.03729	1.5
98.19916	5.2
107.08662	1.6
109.06588	3.0
111.04603	1.2
111.08118	1.4
123.04505	1.9
123.08186	1.6
125.09704	3.7
127.11313	1.6
135.04535	25.3
135.08119	1.5
137.02435	2.0
137.09694	1.8
141.09216	1.6
145.02931	1.5
149.09741	3.6
149.64639	1.2
151.11263	4.0
153.09216	2.7
155.10742	8.6
161.02383	2.4
161.04492	2.2
161.09587	1.4
163.11267	3.9
165.12808	1.9
167.10735	3.0
169.12407	1.6
177.12794	2.6
179.03505	22.5
179.10789	2.4
180.65523	1.2
181.12335	1.8
185.11906	1.7
191.14383	9.2
197.11848	1.8
205.12419	1.9
207.10297	1.4
209.11897	2.7
224.10565	1.3
226.11961	1.4
235.20586	1.8
239.09254	3.6
245.19090	29.0
246.19431	3.0
251.70975	1.4
263.20120	7.6
271.17029	3.3
279.19818	2.7
289.18076	48.9
290.18369	4.2
304.70850	1.3
307.08005	2.5
307.19138	100.0
308.19540	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40819	1.0
52.52966	0.9
57.03436	4.2
58.73991	0.9
59.01376	8.4
69.03448	1.6
70.93039	2.3
70.93365	1.4
71.01373	1.6
80.02665	0.9
81.03445	3.4
83.04980	1.2
85.02948	1.3
85.46385	1.2
93.03438	1.0
95.05017	3.6
97.02941	6.0
97.06585	2.3
103.04030	1.5
104.21010	1.1
109.02911	1.8
109.06595	2.0
110.03693	1.7
117.59521	1.1
121.06594	2.5
123.04496	5.8
123.08155	4.6
125.06078	2.0
125.09714	8.7
134.03688	1.1
135.04523	14.9
135.08125	1.7
136.04915	1.0
137.09717	5.2
141.09225	1.2
141.12782	1.3
148.09154	1.1
149.06061	2.7
151.11340	1.8
155.76817	1.1
156.59532	0.9
157.79327	1.0
161.09695	1.2
162.10484	1.4
163.11229	8.6
165.09149	1.6
165.12869	2.2
167.61641	1.0
171.10283	1.9
177.12897	1.5
179.03482	17.3
179.10777	2.2
181.12292	2.3
185.11841	11.4
191.10745	1.1
191.14439	15.1
197.11858	1.3
207.10229	9.8
209.11797	2.0
217.15912	1.3
225.11258	5.9
227.18097	1.3
243.17593	1.7
245.19089	38.7
246.19370	2.9
261.18582	1.6
263.20029	1.8
271.16953	3.1
289.18082	100.0
290.18521	7.6
307.10660	1.7
307.19107	57.5
308.19440	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46191	2.0
57.03442	9.1
59.01371	9.0
69.20499	4.0
69.20905	20.4
70.71252	2.7
71.01383	8.4
83.05014	4.8
95.05030	5.0
97.06584	11.1
98.03741	2.5
109.06586	5.6
111.08137	7.1
125.09693	5.3
127.07677	3.0
135.04518	7.3
137.02345	3.3
149.09706	5.8
151.07483	2.2
151.11281	14.8
153.09169	3.5
155.10789	11.4
163.11252	4.6
165.12836	14.6
165.14081	3.1
166.09984	3.0
167.10751	5.8
169.12421	2.6
170.48848	2.2
170.92545	2.7
179.03479	7.4
179.10864	3.7
181.12341	19.4
182.42136	2.6
191.10777	8.4
191.14407	9.8
194.84512	2.5
195.10258	3.4
195.82840	2.4
197.11729	2.6
205.12355	3.2
209.11798	36.3
210.12090	3.4
211.13358	7.3
224.10481	3.3
239.09311	2.8
245.19142	32.2
246.19269	2.5
263.20166	10.6
271.17108	4.0
279.19522	5.5
289.18057	47.6
290.18423	5.1
307.19131	100.0
308.19482	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32819	2.2
57.03449	11.2
59.01374	13.5
62.95013	2.0
64.26784	2.1
69.03448	3.8
69.36949	3.7
69.37351	15.5
71.01372	8.3
77.18703	2.6
80.02663	2.9
81.03442	4.6
81.17168	2.1
83.05025	7.4
95.05037	3.8
97.02945	2.4
97.06586	20.6
98.20644	5.0
101.02474	2.6
106.04252	3.3
109.06599	4.5
111.08134	11.0
113.46674	2.4
121.06593	4.9
123.04509	5.3
123.08121	3.2
125.09677	4.7
135.04558	15.5
137.09706	4.9
139.07634	3.0
147.08031	2.3
149.09711	5.5
151.11285	22.3
153.09212	5.2
153.12813	3.2
155.10777	12.2
161.10939	2.2
163.11263	6.0
165.12823	24.9
166.13091	2.2
167.10707	5.4
168.11612	2.5
169.12267	3.5
171.10188	4.6
177.12799	4.9
179.03488	15.3
179.10812	7.0
181.12326	28.5
185.11794	9.0
186.97894	2.3
191.10724	11.7
191.14465	10.8
195.10222	2.3
197.11746	3.4
209.11810	50.9
211.13322	7.1
224.10527	2.5
245.19057	40.5
246.19408	3.6
247.16853	2.4
261.18619	2.3
263.20065	12.8
271.16913	4.6
279.19653	5.6
289.18066	65.0
290.18536	3.8
307.19113	100.0
308.19507	6.2
324.64178	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03439	2.5
59.01368	5.8
61.21382	1.4
70.80094	1.3
71.00616	2.6
71.01385	2.1
71.91040	1.4
75.05383	1.7
83.05023	2.9
91.22992	1.4
95.05012	1.6
98.03712	1.6
109.06563	4.2
111.08176	1.6
121.06586	1.4
123.04420	1.8
125.09721	3.6
127.07629	4.6
135.04498	3.2
135.08075	1.5
137.09714	2.2
149.09686	2.0
151.11247	4.6
153.09212	3.5
153.12825	2.7
155.10728	7.8
163.11250	3.9
167.10794	3.1
169.12271	1.7
177.12834	2.8
179.03545	2.6
179.10704	1.5
191.14380	6.4
197.11905	2.6
204.82701	1.4
205.12302	2.6
216.74603	1.4
224.10556	1.9
225.11325	1.6
239.09242	4.5
245.19064	33.2
246.19415	2.7
249.14967	6.5
263.20148	6.1
271.17044	3.4
279.19696	1.9
289.18088	59.8
290.18454	4.8
307.19131	100.0
308.19470	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58787	2.7
57.03448	7.2
59.01371	8.8
70.50446	3.0
71.16477	4.2
71.16837	3.1
80.27708	2.5
81.03474	7.7
81.10725	2.6
83.01376	5.3
83.05027	7.0
91.24754	2.7
97.02947	6.1
97.06602	7.6
97.80503	2.8
103.23923	2.6
121.06608	2.8
123.04539	9.8
123.08145	4.6
125.09704	12.9
135.08128	3.7
137.09714	12.6
141.12839	3.7
151.11334	4.0
163.07664	3.3
163.11282	15.1
165.12877	3.5
167.10722	3.0
179.10762	4.6
180.47337	3.3
181.12375	6.3
185.11884	23.8
191.14441	26.3
207.10205	10.0
209.11841	34.3
210.27689	3.1
217.15863	3.9
225.11345	8.0
227.49263	3.2
245.19099	48.6
246.19420	3.7
268.85205	2.9
289.18097	100.0
290.14355	2.9
290.18454	9.0
300.57104	2.9
307.19153	63.3
308.19458	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67084	1.0
57.03448	3.9
59.01373	4.2
59.29955	1.0
66.78088	1.3
78.92550	0.9
80.02666	1.3
81.03442	3.3
95.05011	1.8
97.02950	2.4
97.06613	2.1
109.06589	3.1
111.04465	1.0
121.06591	2.2
123.04549	5.9
123.08181	2.0
125.09713	9.1
135.08180	1.7
137.06015	1.5
137.09740	6.5
141.12827	1.6
143.47423	1.0
149.06100	1.4
163.11230	9.3
179.10721	1.6
181.12245	1.8
184.22102	1.0
185.11824	13.9
189.70595	1.2
191.14426	13.7
192.26186	0.9
207.10303	8.1
208.85724	1.1
217.15817	1.2
225.11392	5.9
232.43716	1.0
245.19115	29.1
246.19356	2.1
271.17029	3.7
289.18091	100.0
290.18414	8.2
307.19131	45.3
308.19296	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41136	0.8
55.01859	1.4
56.25252	0.8
57.03445	0.8
58.00572	0.8
59.01378	39.7
69.03450	7.0
71.01377	22.2
71.52885	0.9
72.99287	1.9
73.02947	1.8
77.79751	1.0
81.76751	0.9
83.01392	2.0
85.02959	4.8
87.00867	2.2
89.02440	21.1
94.74772	0.9
95.01374	2.6
97.02950	1.8
99.00877	2.3
99.08156	25.2
100.23498	0.8
101.02455	14.0
109.02905	1.6
113.02453	8.1
119.03495	7.7
119.04945	1.0
127.07678	6.2
135.04535	11.5
141.09224	3.2
143.03439	1.0
145.08705	66.7
146.09026	2.9
161.02435	1.8
163.04022	1.2
179.03488	11.5
179.75139	0.9
185.00896	2.8
187.09760	1.9
307.08197	3.2
307.13965	100.0
308.14401	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01847	1.0
55.76990	0.8
58.00587	1.8
59.01376	42.2
65.28569	0.8
69.38324	7.0
71.01376	18.9
72.58447	0.9
72.99304	1.7
73.02934	1.6
83.01382	1.9
85.02934	4.7
87.00862	2.3
89.02439	19.0
95.01375	1.9
98.20673	0.9
99.08155	21.0
101.02440	14.7
113.02454	7.1
119.03507	7.2
127.07645	4.6
129.09175	1.6
131.03519	0.8
135.04532	4.0
135.07629	0.8
141.09198	2.5
143.56830	1.0
145.08699	62.4
146.09012	1.4
166.82100	0.7
179.03461	2.8
179.05629	1.2
187.09769	2.2
191.13582	1.0
197.33850	0.8
261.43005	1.0
307.13956	100.0
308.14380	6.1
329.16110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91776	0.2
59.01378	0.6
59.47022	0.3
69.58207	0.3
70.27773	0.5
70.28120	0.9
71.01389	0.3
74.99068	7.6
75.96209	0.4
81.43386	0.3
91.02197	2.8
93.00134	2.0
105.97127	0.3
109.06551	0.3
124.35062	0.3
135.04550	2.1
143.05334	0.5
149.00949	2.9
155.40038	0.3
155.99876	0.3
159.08464	6.5
161.06412	1.6
179.02126	0.3
179.03467	2.0
192.98128	0.9
206.99678	1.5
209.01242	2.6
217.07309	0.8
223.02820	50.6
224.02870	3.9
245.19101	0.6
264.18906	0.3
275.05917	0.4
289.07468	1.9
289.17999	1.7
291.09082	100.0
292.09195	12.0
307.12418	2.1
307.19229	2.2
309.10187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35966	0.3
54.96239	0.3
59.01373	2.0
71.01370	0.8
74.99071	6.9
74.99462	0.7
85.02970	0.6
88.25625	0.4
89.02427	0.6
91.02225	3.0
93.00131	1.7
106.50159	0.3
133.02898	0.5
135.04520	6.0
140.15773	0.4
149.00952	2.9
152.75975	0.4
159.08466	6.8
160.08669	0.4
161.02458	0.5
161.06425	1.3
179.03508	6.3
191.14452	0.6
192.98137	0.7
206.99727	1.7
209.01253	2.5
209.11766	0.6
217.07115	0.8
223.02837	52.0
224.02850	4.2
241.03799	0.5
245.19147	0.9
275.05768	0.5
289.07504	2.2
289.17990	2.5
291.09094	100.0
292.09219	11.1
307.07971	0.5
307.12085	1.8
307.19217	3.5
308.19507	0.4
309.10172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10252	1.0
57.03444	5.0
59.01374	2.1
61.48795	1.1
69.03442	1.8
69.36391	1.7
69.36800	7.4
81.03447	1.5
83.05021	1.2
93.03450	3.7
95.05020	1.3
97.06616	5.5
97.07143	1.1
107.08674	1.1
113.82686	0.9
117.07117	2.4
119.05029	2.3
120.05853	6.8
123.03670	1.5
123.04469	6.3
123.08150	4.1
125.09730	20.8
133.06622	1.7
135.08165	59.7
136.08505	3.7
137.06070	1.2
137.09689	1.0
141.12830	4.2
147.04524	4.4
152.17044	1.0
157.27538	1.1
160.08917	2.0
161.06081	2.3
161.09689	3.0
173.09706	2.0
175.07642	5.8
185.11821	62.4
186.12193	3.6
189.12842	7.4
197.65416	1.0
215.14383	1.8
223.13509	2.0
243.17532	26.3
244.17883	2.5
245.15598	2.1
261.18555	3.7
263.16537	1.8
269.15497	5.6
283.53568	1.2
287.16516	73.5
288.16928	6.9
305.17575	100.0
306.17957	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	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
71.01365	0.6
71.38223	0.7
167.38475	0.4
303.23499	0.6
305.24823	100.0
306.25156	9.7
309.93689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69097	0.9
51.88934	0.9
59.01368	3.2
61.98827	100.0
63.14685	0.9
63.99257	1.0
71.51036	1.3
71.68160	1.0
87.53599	1.1
94.34863	0.9
110.39195	0.9
115.84772	1.3
120.94460	1.0
127.13024	1.0
134.96085	5.8
135.96234	1.1
136.93994	16.6
137.94028	1.9
151.92737	1.8
161.98912	1.8
162.98990	4.3
163.98712	5.1
164.93463	3.6
164.96378	35.0
165.96454	2.2
178.95042	15.7
179.95171	2.1
205.00133	1.5
206.97455	13.7
247.87080	1.2
248.86893	1.1
276.86609	10.5
278.94992	2.7
291.51028	1.0
306.94489	2.4
306.97513	9.4
307.00250	3.3
307.84012	3.1
307.97314	1.7
308.26697	1.0
316.84454	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01368	3.8
69.03435	0.9
71.05018	41.1
80.02691	1.0
81.03452	3.0
83.05025	1.8
93.03458	2.3
95.05022	19.3
98.19913	2.4
106.04243	2.6
107.05030	1.6
109.02948	1.5
109.06592	16.7
111.04518	1.9
119.05023	1.3
121.06621	5.5
121.10236	1.0
122.03742	0.9
123.08162	1.7
125.09686	1.0
126.13915	0.8
127.07655	2.2
133.06551	1.0
135.04456	0.8
135.08147	2.9
139.07654	1.3
147.04512	2.2
147.08160	3.0
149.06073	1.3
150.06871	2.0
161.06091	3.4
161.09727	1.6
164.08353	1.0
165.09219	10.7
175.07690	1.0
178.97302	0.7
187.11353	1.1
189.12863	14.0
190.13197	1.1
203.14380	1.0
205.15956	10.0
205.38716	0.8
215.10747	1.3
231.13979	3.4
233.11819	7.7
240.50963	0.7
243.17522	9.3
244.17726	1.1
245.15369	1.0
249.14977	11.6
250.15358	0.9
261.18588	2.1
263.16461	0.8
269.15479	3.0
287.16522	72.9
288.16852	6.4
305.17572	100.0
306.17905	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03439	0.4
59.01377	1.7
60.58590	0.3
68.21490	0.2
68.99807	0.5
69.03444	0.3
69.39845	0.3
70.62717	0.3
70.63069	0.6
71.01362	0.3
71.04984	0.2
72.52155	0.3
80.02681	2.9
81.03464	2.5
83.05026	9.5
84.05360	0.3
93.03456	0.9
95.05031	2.2
95.45656	0.2
97.02975	0.2
97.06570	1.0
106.04237	0.3
107.01410	0.4
107.05027	1.5
108.02154	0.4
109.06588	3.2
109.07293	0.4
111.08156	0.6
120.05740	0.3
121.02943	3.0
121.06557	0.5
122.03732	0.8
123.04528	0.3
123.08163	0.5
125.06060	1.2
125.09721	1.3
133.02968	1.8
135.04529	2.4
135.08176	3.8
136.05258	0.7
137.09718	0.4
147.04506	2.3
147.11879	0.4
148.05327	0.3
149.06036	0.5
149.09650	0.4
151.11305	0.3
159.08109	0.4
161.06064	1.2
161.09749	0.5
163.11276	8.5
164.11636	0.5
165.12836	4.2
175.07635	0.4
176.08409	7.7
177.09062	0.9
178.09981	4.7
179.10623	0.5
181.12300	1.2
181.91789	0.3
185.11832	1.4
189.09230	0.6
190.09956	1.2
191.10759	2.6
192.11520	1.1
193.12209	0.9
197.11739	1.3
204.11603	0.8
205.12447	0.3
207.10217	2.4
207.13861	0.7
208.10573	0.3
209.11809	100.0
210.10306	0.5
210.12144	6.2
215.14459	0.4
216.07797	0.3
217.12251	0.4
219.17484	0.6
223.13483	0.3
231.13976	0.4
234.08992	0.4
236.10533	4.0
237.10922	0.3
243.17487	2.8
245.15445	1.4
259.17035	0.4
261.18549	7.3
262.19009	0.7
263.16507	0.8
269.15448	1.3
277.18030	1.0
287.16483	10.6
288.16821	1.2
305.17557	82.8
306.17911	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	4.0
59.01378	100.0
60.01691	1.3
70.95438	3.2
71.01379	53.1
72.99305	3.8
73.02941	1.9
81.07092	23.7
83.01384	2.4
85.02940	9.6
87.00859	3.0
89.02441	61.5
95.01378	3.1
98.14673	1.1
99.00826	1.0
101.02438	31.5
113.01740	1.4
113.02452	19.4
119.03491	23.4
125.06087	6.7
131.03484	3.5
143.03479	3.1
149.04424	1.5
161.04520	2.6
179.05573	3.1
245.71364	1.1
291.20801	1.1
305.12411	31.4
306.12781	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.70188	0.2
60.97502	0.8
63.93081	0.2
74.99091	0.9
78.77085	0.2
90.00378	0.2
90.86482	0.2
96.81792	0.2
98.19832	0.4
118.96241	1.3
127.55162	0.2
134.99400	5.3
136.97346	1.8
143.05319	2.3
145.54062	0.2
150.98814	0.3
151.00272	0.3
152.04070	0.2
159.08463	1.6
161.06386	5.2
167.78745	0.2
201.04086	0.3
203.05618	3.6
205.03590	1.0
211.14931	0.2
215.05669	1.4
217.07193	93.9
218.07321	6.1
261.06226	0.7
283.11880	0.6
285.13455	37.3
286.13675	3.4
300.99805	0.9
301.16583	100.0
302.16797	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
64.03971	3.6
70.11364	7.5
70.11774	11.2
79.23304	4.3
82.00214	4.0
86.14252	3.9
96.25526	5.5
98.19948	5.6
137.78134	4.2
161.98991	19.8
214.82222	3.8
236.94235	4.5
263.34747	4.2
263.84845	20.7
264.34631	7.5
279.88290	14.5
280.32632	4.0
303.82709	20.3
303.88437	4.8
304.00131	19.4
304.32730	10.0
304.82547	4.8
321.89371	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	46.3
59.03311	0.5
60.45280	0.4
70.81076	0.5
70.81405	0.6
77.81181	0.3
140.27271	0.3
146.74477	0.3
161.02367	0.4
168.13928	100.0
169.14288	5.2
212.12909	3.2
213.13229	0.4
243.17667	0.4
304.19180	0.9
305.17688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0301
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
52.15165	0.4
59.01385	2.2
60.49067	0.4
69.17715	0.6
69.18118	3.4
70.99190	0.3
71.01378	2.4
79.43594	0.4
79.63437	0.3
85.02959	0.8
85.06583	0.6
93.03436	0.5
96.96017	1.5
101.02398	0.4
105.05946	0.4
106.04247	1.9
113.02442	0.9
120.99658	0.8
128.37532	0.4
131.07143	2.9
133.02908	0.6
145.02960	0.6
161.02486	0.6
173.02461	0.8
176.01126	0.4
181.08708	0.5
189.01942	3.0
190.02731	19.2
191.03056	1.1
191.05589	0.5
217.01410	19.7
218.02177	19.9
219.02536	1.0
228.05321	0.5
233.06201	0.7
245.10382	2.5
246.01682	100.0
247.02040	6.9
261.04022	36.5
262.04355	1.9
278.00903	0.5
305.02759	3.2
305.12750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27090	0.4
63.02394	2.1
65.00324	3.3
78.31857	0.5
80.00829	0.4
81.93869	0.4
83.01369	2.9
90.57806	0.4
91.01891	0.6
93.03461	1.9
95.01411	0.5
99.73697	0.4
106.88888	0.5
107.01391	6.5
109.02979	4.7
109.40495	0.5
117.03436	1.2
119.01396	0.7
121.02969	6.8
123.00921	1.0
123.04479	0.9
124.01598	0.8
129.03456	1.8
133.02899	0.8
139.04004	1.4
145.02940	3.5
147.04480	1.0
149.02435	3.9
150.03230	4.1
151.00365	19.1
157.02924	1.9
158.03592	0.5
159.04480	0.6
161.02403	1.4
163.00392	3.1
163.03961	1.8
164.01126	0.8
164.04785	0.6
165.01849	1.7
165.05545	4.4
169.01413	1.0
171.04514	1.1
173.02464	3.8
175.04002	0.8
178.99846	6.3
183.04509	1.6
184.05267	1.1
185.02425	3.7
185.06029	0.9
187.03996	2.2
189.01917	0.8
195.04457	2.3
196.05170	0.7
197.06046	2.1
199.00403	0.6
200.01102	1.1
201.01932	3.7
201.05562	0.8
203.03615	0.7
211.03992	3.9
212.04742	4.3
213.02026	1.1
213.05519	2.3
216.00526	0.6
217.01498	1.0
223.04010	1.0
224.04729	0.9
225.05533	9.9
226.06049	0.8
226.99811	0.9
227.03555	2.5
227.07112	2.1
228.00607	1.0
228.03969	1.1
229.01462	5.5
229.05006	1.7
230.01930	0.5
236.04807	0.9
237.05426	0.6
239.03461	0.6
239.07089	0.5
240.04262	15.8
240.07874	3.6
241.05009	5.5
242.05643	0.6
243.02904	0.8
243.06621	0.7
244.00276	0.6
244.03336	1.6
245.00923	3.2
245.04556	2.9
253.05078	7.2
254.05403	0.6
254.99269	0.7
255.02914	2.6
255.06609	32.6
256.03510	2.8
256.07208	6.2
257.00748	2.5
257.04523	1.2
258.83139	0.5
267.06558	1.2
268.07419	5.7
270.08948	28.9
271.02777	0.7
271.06125	3.8
271.09631	10.3
272.02826	6.0
272.09924	0.7
273.00299	1.1
273.03662	1.5
283.02365	1.3
283.09741	2.3
283.99686	5.1
286.08398	4.0
299.99103	5.8
300.02255	0.8
300.99847	100.0
301.03406	43.1
301.10718	9.5
301.21622	0.8
302.00177	8.3
302.03723	3.5
302.11047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Tan 931
Peak:m/z	Relative Intensity
65.00344	0.1
65.03969	0.1
66.83271	0.1
67.01880	0.2
68.99808	0.2
69.03437	0.7
69.39550	0.3
69.39974	0.4
72.37608	0.1
75.56632	0.1
75.67818	0.1
77.03962	1.4
79.01894	0.2
83.01382	1.2
93.03459	2.0
95.01389	0.4
97.02947	4.1
107.01372	0.2
109.02944	1.1
121.02950	5.9
122.03310	0.2
123.00875	0.5
124.82811	0.1
137.02437	23.8
138.02773	0.9
139.04015	0.2
151.00394	0.4
152.86716	0.1
154.20938	0.1
165.01920	100.0
166.02246	3.7
173.56050	0.1
185.02487	0.1
201.01930	0.2
229.01477	0.3
255.06764	0.1
283.99695	0.2
299.99039	0.2
300.99872	4.2
301.03503	4.2
301.11090	0.1
301.14630	0.1
302.00116	0.3
302.03885	0.4
320.64621	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	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.33009	0.3
57.72345	0.3
59.01390	0.4
63.02395	9.9
65.00323	18.2
65.17417	0.3
65.89861	0.3
66.00677	0.4
69.76918	1.8
69.77514	0.3
82.02322	0.3
83.01384	9.6
86.80493	0.3
92.35135	0.3
93.03449	5.0
95.01379	0.6
95.25555	0.4
97.02973	0.3
107.01387	25.4
108.04579	0.8
109.02948	2.7
121.02956	21.6
122.03267	0.5
123.00893	0.6
124.01693	0.4
124.07706	0.4
125.02443	0.9
125.26022	0.3
135.04514	0.4
136.07674	1.3
137.02440	1.3
137.07849	0.3
138.03282	0.4
139.03992	2.4
145.02972	0.8
149.02455	3.2
151.00360	74.6
152.00685	1.7
157.06445	0.4
159.04497	0.8
161.02489	1.7
161.06108	0.4
163.00360	1.5
163.03970	1.2
164.01160	1.8
165.01933	4.2
169.01405	2.1
173.02361	0.5
173.06026	0.4
174.03195	0.4
175.03946	0.6
178.99849	25.9
180.00154	0.9
183.04538	0.5
185.02403	0.9
186.09743	0.3
187.04002	0.9
193.01384	1.5
201.01935	0.7
201.05617	0.9
203.03532	0.7
205.05060	0.5
211.03917	1.0
227.03427	1.3
229.01349	0.8
229.04956	2.2
230.02171	0.4
240.04015	0.5
243.02769	0.5
245.00859	0.5
245.04500	1.8
255.02872	1.0
256.03549	0.4
257.00800	0.7
257.04510	1.0
257.10834	0.3
257.12994	3.8
273.00146	0.6
273.04047	3.6
283.02225	0.4
283.99728	0.6
284.03043	0.5
299.01813	0.5
299.98962	0.8
300.99860	14.2
301.03448	100.0
302.00186	0.9
302.03821	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	301.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11108	0.3
54.45010	0.3
63.02092	0.6
63.02399	7.6
63.02729	0.4
64.71815	0.3
65.00324	13.0
69.62085	2.1
70.90055	0.3
76.02649	0.3
81.03454	0.4
81.16985	0.3
83.01389	8.6
91.01900	0.8
93.03468	4.1
95.01395	0.7
96.98385	0.4
107.01390	19.3
108.02228	0.5
109.02957	8.6
111.00890	0.6
119.01361	0.9
121.02959	17.7
124.01666	0.9
125.02443	1.0
129.03491	0.4
133.02922	0.9
135.00906	1.0
137.02461	0.5
139.03996	2.6
145.02968	1.7
147.04535	0.8
148.01675	0.5
149.02444	3.1
151.00363	60.4
152.00728	1.5
155.05005	0.3
157.02893	0.5
158.03777	0.5
159.04492	2.1
161.02412	1.5
161.06044	0.5
163.00348	6.0
163.03989	1.2
164.01128	1.7
165.01929	0.5
167.04967	0.6
169.01382	1.7
170.03766	0.3
171.04475	0.7
172.05309	0.3
173.02460	1.2
173.06093	0.8
174.03148	0.5
175.04022	1.3
178.99852	21.7
180.00212	0.5
183.04495	1.8
185.02448	1.8
185.06076	1.0
187.03958	2.2
189.01942	0.6
189.05469	0.6
190.99850	0.4
192.00639	0.7
193.01358	1.2
199.03912	1.5
201.01917	1.3
201.05525	2.2
202.02312	0.3
203.03514	0.7
205.05057	0.8
211.03990	3.0
211.83139	0.4
212.04770	0.4
213.01917	0.9
215.03490	0.4
226.99834	0.4
227.03436	3.4
228.04228	0.7
229.01379	1.4
229.04984	2.6
239.03529	1.0
240.04222	0.7
243.02937	1.3
245.00923	0.7
245.04556	5.6
252.73163	0.4
255.02934	5.3
256.03574	1.1
257.00891	0.8
257.04532	1.1
266.02353	0.6
271.02600	0.9
272.02985	0.5
273.04019	4.2
283.02451	2.6
283.99637	1.3
284.02908	0.7
299.99063	1.7
300.99905	33.0
301.03528	100.0
302.00232	2.1
302.03873	6.0
302.07126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	90.1
60.01698	0.8
61.98837	0.6
69.86616	1.8
83.96980	0.3
104.45093	0.4
107.91328	0.3
114.98855	0.8
115.02505	12.7
116.02635	0.5
116.98635	0.6
117.00438	7.8
146.28882	0.3
156.99921	0.7
157.03558	2.9
157.90770	0.5
159.01480	100.0
159.97394	0.5
160.01617	5.8
201.02530	22.5
202.02739	1.6
214.05907	0.4
215.89799	0.4
217.00533	1.3
241.00539	0.6
259.01569	3.2
260.01724	0.4
299.48489	0.4
301.02643	45.6
301.21609	0.5
302.02777	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	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
56.32716	0.2
59.01377	0.3
65.66280	0.2
71.01399	0.2
71.28810	0.4
81.03470	0.3
89.02424	0.2
91.14823	0.1
93.03453	3.1
108.02177	0.7
109.02945	0.4
135.19543	0.1
136.01666	2.2
137.02438	100.0
138.02765	3.5
193.53578	0.2
195.08142	0.1
291.73648	0.1
299.07706	8.1
300.08035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89503	0.3
63.02396	4.0
65.00322	6.6
77.49641	0.3
83.01380	4.8
93.03453	2.5
98.20694	0.7
99.55782	0.3
101.03902	0.3
107.01386	12.2
108.02207	0.4
109.02945	5.4
111.00827	0.4
117.03458	1.3
119.01381	0.6
121.02958	9.3
125.02383	0.5
129.03447	1.3
133.02975	0.8
136.01581	0.3
139.04037	1.9
139.68216	0.3
143.05013	0.4
145.02937	3.8
147.01001	0.4
147.04506	1.4
149.02443	1.8
151.00360	33.2
152.00681	0.8
157.02946	1.8
159.04462	1.7
161.02423	1.1
163.00391	3.0
163.03999	1.2
164.01193	0.7
164.14235	0.3
167.04958	0.5
169.01433	0.8
171.04482	0.6
173.02397	3.6
175.03989	0.7
178.99849	12.0
183.04486	1.0
185.02434	4.6
185.06062	0.5
187.03984	1.0
189.01897	1.6
189.05510	0.5
190.99925	0.4
193.01421	0.9
199.00261	0.8
199.03926	0.7
200.01112	0.7
201.01907	4.0
201.05560	1.1
203.03430	0.5
205.05122	0.5
211.04007	1.5
213.01883	1.0
216.00633	0.5
217.01389	0.8
226.99854	1.1
227.03471	1.3
228.00607	0.8
228.03992	0.6
229.01419	6.3
229.04883	1.8
230.02051	0.6
239.03456	0.8
240.04387	0.4
243.02794	0.7
244.00221	0.7
244.03387	0.5
245.00908	3.0
245.04546	2.5
254.99399	1.0
255.02986	3.8
256.03476	1.3
257.00845	1.9
257.04553	2.2
266.02078	0.6
271.02496	0.7
271.99985	0.6
272.02679	2.5
273.00320	0.7
273.03949	2.0
282.99240	0.3
283.02493	1.4
283.99625	5.9
284.99933	0.5
299.99124	5.4
300.99875	100.0
301.03467	59.0
302.00208	6.8
302.03815	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
58.33877	0.2
62.10110	0.2
62.42768	0.2
65.00324	0.3
67.23827	0.2
69.29314	1.5
69.29666	0.2
77.23521	0.2
78.09668	0.2
91.54046	0.2
101.03998	0.3
117.03452	0.8
119.05083	0.4
121.02934	0.2
129.03476	0.9
133.02957	0.8
142.36147	0.2
145.01881	0.3
145.02960	3.6
147.04526	0.7
151.00342	0.2
157.02910	1.5
160.01619	0.2
161.02414	0.3
163.04010	1.2
164.70232	0.2
168.23489	0.2
171.00836	0.3
172.01700	0.2
173.02434	3.8
184.01660	0.4
185.02422	4.8
186.02733	0.4
189.01852	1.1
191.03488	0.2
199.00410	0.6
200.01111	0.8
201.01920	4.5
201.03787	0.2
212.01163	0.3
213.01860	0.4
216.00626	0.4
217.01398	0.9
226.99808	1.2
228.00552	1.2
229.01395	5.7
230.01726	0.3
240.00693	0.3
244.00047	0.6
245.00887	2.5
246.01106	0.2
254.99336	0.6
256.00101	0.3
257.00870	2.6
271.99405	0.2
273.00366	0.4
282.98730	0.3
283.99615	6.1
285.00116	0.3
299.99094	5.4
300.99872	100.0
302.00208	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	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72840	0.3
67.64990	0.3
69.37383	0.3
79.08195	0.3
79.95694	1.8
98.20647	1.0
119.05038	1.3
127.99374	0.3
150.62579	0.3
167.58537	0.3
170.00429	1.2
183.01195	57.0
184.01907	6.3
197.02719	2.4
198.03519	0.6
216.00960	2.8
225.05949	0.5
229.21754	0.4
230.02693	0.4
239.07524	0.6
274.70444	0.3
297.15280	100.0
298.15594	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Hebelophyllene G
Peak:m/z	Relative Intensity
57.03431	1.1
59.01117	0.8
59.01376	12.3
71.01364	2.6
71.79211	0.7
75.10857	0.9
81.03441	2.2
83.05017	2.1
89.02421	2.5
90.45903	0.7
97.06579	2.8
101.02405	2.3
108.57062	0.8
111.08105	1.4
113.02464	1.6
119.03478	1.9
121.02963	4.0
122.03742	5.9
123.04525	1.9
135.00824	0.8
135.04515	1.5
136.05299	1.9
137.09698	1.0
139.11299	8.8
149.13333	0.8
161.04507	1.1
164.08376	1.4
165.12808	2.3
168.04214	1.8
175.11516	0.9
177.16478	1.3
179.14389	3.2
203.14412	5.5
205.12332	1.0
219.13803	1.6
221.15460	72.8
222.15778	5.8
229.12398	0.8
237.14880	1.3
238.46982	0.7
247.10808	1.2
247.13374	19.2
248.13803	1.0
253.18089	9.9
265.14426	100.0
266.14746	7.1
279.15985	4.4
297.17059	98.8
297.24228	2.1
298.17432	8.8
303.35623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60012	0.7
54.55560	0.8
59.01382	8.2
71.01388	3.6
71.52052	1.1
74.99068	5.7
83.47482	0.8
89.02438	2.7
89.04282	8.7
93.00138	1.6
96.90559	0.7
101.02447	2.1
108.30459	0.7
113.02438	1.6
119.03533	0.8
121.02889	0.8
135.06633	1.2
149.00952	51.7
150.00957	2.7
161.04503	0.9
170.00404	0.9
179.05667	0.8
183.01192	26.2
184.01926	1.6
206.99684	1.7
208.97606	1.3
216.01025	1.2
223.02785	6.9
225.00642	1.5
237.09866	1.0
264.98416	23.4
265.98520	2.7
281.01556	6.1
282.01630	1.2
282.99500	2.7
296.23108	0.9
297.04691	100.0
297.12009	2.3
297.15265	45.1
297.24292	16.6
298.04709	11.2
298.15594	1.6
299.02573	10.1
301.00702	0.8
315.05789	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
69.21793	1.0
69.22216	1.3
71.01398	0.5
79.95687	1.6
89.02402	0.4
91.77097	0.2
116.26528	0.2
117.07061	0.3
117.31741	0.2
119.05031	1.0
137.95100	0.3
160.59470	0.3
170.00391	1.4
182.63739	0.3
183.01196	56.9
184.01707	3.0
197.02794	2.3
198.03462	0.5
202.69739	0.2
211.04164	0.4
216.01012	1.3
220.16501	0.3
225.05843	0.5
229.19592	0.3
230.02550	0.6
233.19031	0.3
239.07541	0.7
297.15271	100.0
298.15598	7.9
298.18124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
65.60905	0.7
71.01379	2.7
74.99073	4.8
79.95712	1.0
81.03446	0.8
85.02946	1.0
89.02448	2.8
89.04280	7.2
93.00127	1.9
101.02445	2.8
113.02468	1.0
119.03516	1.8
119.05005	1.0
121.06572	5.9
135.04543	0.9
135.06627	1.4
149.00948	48.8
150.00891	2.7
163.11249	3.1
173.70206	0.8
183.01215	23.9
184.01875	2.9
197.02757	1.7
206.99670	1.6
216.01009	1.4
223.02823	5.5
225.00665	1.1
264.98453	22.0
265.98453	2.5
281.01566	6.0
282.99423	2.4
297.04684	100.0
297.11996	2.1
297.15283	58.0
297.18506	3.8
297.24332	17.1
298.04776	12.9
298.15561	2.4
299.02643	9.5
300.02554	1.1
301.00552	0.8
302.81772	0.8
305.59381	0.9
308.97644	1.2
315.05887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.76854	0.4
59.01375	2.9
71.01374	1.1
77.05123	0.4
80.73808	0.3
83.05042	0.5
84.27990	0.3
86.62290	0.4
89.02448	0.5
96.95991	1.3
98.95593	3.2
101.02460	0.6
127.11251	1.5
133.01430	0.5
133.05042	0.5
141.12849	8.7
155.14415	4.3
169.07777	0.9
249.22197	7.9
253.09221	0.5
277.21738	0.8
295.10065	1.3
295.18069	3.6
295.22757	100.0
296.23114	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.20345	0.3
57.03437	0.9
59.01373	2.0
71.01350	0.3
71.61415	0.3
73.44862	0.3
83.05009	0.4
97.06547	0.5
99.04444	0.3
113.09721	2.6
142.05415	0.3
177.12808	0.6
179.14377	1.7
181.12344	0.6
195.13885	21.4
196.14249	1.3
207.22736	0.3
277.21701	19.0
278.22018	1.4
293.21045	0.4
295.22757	100.0
296.23108	8.1
297.57715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03435	2.1
59.01384	5.3
69.03428	0.6
70.54582	1.5
71.01382	1.9
71.50469	0.6
85.02939	0.7
89.02435	0.8
98.54463	0.6
106.32293	0.5
110.58122	0.5
125.09689	1.5
127.11260	0.6
127.61687	0.7
133.05046	0.6
135.00934	0.6
137.05351	0.7
139.11290	0.7
141.12822	1.0
155.14380	2.3
169.07718	0.7
171.10263	42.5
172.10590	1.3
180.88354	0.6
183.10237	2.8
195.13852	3.3
227.28131	0.7
251.23775	1.6
275.20264	0.7
277.21719	49.4
278.22040	4.4
295.22766	100.0
296.23096	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	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04753	0.9
50.11121	1.0
51.62756	0.8
51.63010	0.7
59.01377	100.0
60.01714	1.7
70.24498	3.3
71.01374	3.0
78.22741	0.9
82.11630	0.8
85.02940	1.6
89.02427	2.1
96.95981	0.8
101.02418	2.6
113.02438	2.0
119.03479	1.3
133.01428	1.0
235.11861	2.6
295.10233	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	295.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30391	0.4
59.01385	2.9
69.14619	0.4
69.84593	0.8
69.85000	1.6
71.01373	1.2
78.84639	0.3
98.19968	0.5
101.02429	0.6
120.29399	0.4
127.07644	0.6
182.13144	0.5
205.72220	0.4
209.02725	0.5
251.20151	100.0
252.20465	7.9
277.18036	0.5
289.69604	0.4
295.13940	4.3
295.19125	17.2
295.22217	0.9
296.14154	0.8
296.19424	1.7
296.22662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
58.00573	3.7
59.01375	98.4
71.01379	50.5
71.01780	1.8
72.99294	2.7
73.02967	1.2
83.01395	1.7
85.02950	9.5
87.00896	1.6
87.31574	1.0
89.02438	56.7
95.01382	4.9
101.01794	2.0
101.02438	28.6
113.02451	19.4
115.04063	1.3
119.02663	1.8
119.03494	28.6
120.01065	1.1
131.03548	2.9
143.03485	3.1
149.04514	1.1
161.04535	2.9
179.05615	3.4
295.10312	100.0
296.10614	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	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97813	0.5
55.01876	1.2
57.03444	1.7
58.00585	3.2
59.01377	98.0
60.01725	1.1
71.01379	47.2
71.51122	0.9
72.01718	0.7
72.99307	3.6
73.02950	2.0
75.00865	3.8
83.01394	2.3
83.08889	0.5
83.11250	0.5
85.02945	9.4
87.00893	1.9
89.02441	58.3
89.23835	0.6
90.02823	0.7
93.03457	0.5
95.01372	3.8
97.02936	0.8
99.00867	0.9
101.02438	31.7
102.02751	0.5
113.02445	17.3
114.02872	0.5
115.00356	0.5
115.04018	3.3
117.05563	0.7
119.03495	25.2
120.03875	0.6
131.03491	2.4
133.05080	3.9
143.03490	2.2
145.05106	2.8
149.04573	1.5
161.04562	1.8
162.08997	0.5
163.06140	4.0
179.05591	3.3
193.06229	0.7
237.06161	0.9
243.71709	0.5
272.02786	0.5
295.10321	100.0
296.10663	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2485
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.34071	0.7
59.01368	2.2
71.01374	2.4
79.95726	1.3
96.96008	49.8
98.19936	1.9
101.02439	1.1
136.08902	1.7
192.11513	3.0
193.15993	3.9
196.86644	0.8
205.12363	1.0
220.14673	7.1
221.15443	14.4
230.99323	1.0
236.10551	10.9
237.10960	0.8
249.18559	0.9
281.40106	0.9
285.25549	0.9
293.12381	2.6
293.17963	39.6
293.21390	5.5
293.24817	100.0
294.18164	3.3
294.25125	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03432	0.8
59.01381	2.1
66.27286	0.4
69.03437	0.7
69.21600	3.7
71.01364	1.3
72.99301	0.9
77.16707	0.4
80.89574	0.3
83.05036	0.6
85.06577	0.5
86.46636	0.4
88.69355	0.4
89.02433	0.8
89.80169	0.4
95.05022	0.5
96.48460	0.4
96.96004	2.2
97.06608	0.5
101.02383	0.6
113.09713	0.8
119.03419	0.5
125.09700	0.6
136.08908	1.0
139.11282	3.3
139.95552	0.4
153.12848	1.4
167.14400	0.4
169.07745	0.4
178.96590	0.4
191.18024	3.5
192.11589	1.1
193.15898	1.3
195.13866	0.6
205.16032	0.4
218.09554	0.5
220.14618	2.5
221.15453	4.9
223.13376	1.0
224.14265	0.7
229.19518	0.8
235.16997	0.4
236.10486	3.9
245.19012	0.6
247.20653	3.4
275.20090	1.6
276.20276	0.5
293.21201	100.0
294.18246	0.5
294.21552	8.9
313.23212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92648	0.5
57.03232	0.4
57.03440	4.9
59.01377	3.2
62.59611	0.6
93.22701	0.6
97.06553	0.8
98.19869	1.6
107.45883	0.5
113.09719	17.8
121.10229	5.8
139.11253	2.2
149.09673	0.7
167.10733	2.1
171.10263	10.9
177.12825	0.7
179.10768	1.9
185.11723	0.8
195.13943	2.9
196.44476	0.6
221.15376	0.7
231.21245	1.3
235.17084	1.0
249.22198	2.0
275.20117	12.8
292.58780	0.7
293.21207	100.0
294.21576	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57731	0.8
57.03442	1.2
59.01384	9.9
59.77678	0.9
61.98818	1.3
64.85655	0.9
65.76889	1.0
68.99799	1.0
71.01371	6.6
72.99358	0.9
75.47650	1.0
78.95924	1.2
89.02453	3.3
95.05016	2.5
96.95988	1.8
98.20778	1.9
99.00876	1.4
101.02450	1.3
113.02447	1.7
113.09710	3.2
119.03462	1.5
120.37804	0.9
131.07121	1.7
135.11816	14.0
136.08946	12.1
136.88229	1.0
157.08691	39.3
158.08971	1.4
165.09155	1.0
169.07735	1.3
177.09212	3.8
178.02058	1.0
192.11523	10.5
193.12248	1.7
193.15965	26.8
194.16267	2.0
195.13896	4.7
209.15421	2.8
220.14668	5.8
221.15451	15.5
222.15715	1.3
223.13425	1.1
231.21214	3.0
233.15404	2.0
236.10526	10.5
237.11345	1.7
246.75063	1.0
249.18604	39.1
250.18925	2.7
266.69208	1.0
272.95282	1.1
275.20142	53.8
276.20529	4.1
293.09000	1.7
293.12387	3.9
293.17593	18.7
293.21204	100.0
294.18402	1.6
294.21542	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27910	0.7
69.17433	0.5
69.93524	2.3
88.16968	0.6
90.12923	0.5
120.64301	0.7
177.26564	0.6
179.14435	0.9
195.13889	12.2
196.14563	2.1
211.13441	0.7
223.13393	9.9
224.14043	1.2
228.13640	1.2
256.13116	5.3
275.20166	7.0
276.20462	0.7
293.21210	100.0
294.21545	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54218	0.8
56.33442	0.9
57.03457	1.1
59.01378	5.0
71.01390	2.5
76.92302	0.8
96.95978	1.5
97.98756	1.0
101.02410	1.3
113.09723	1.8
121.10201	1.0
143.14827	1.0
167.10788	0.9
171.10220	1.4
175.50473	0.8
176.01233	0.9
177.01556	0.9
185.11751	1.1
193.15977	2.5
195.13882	14.8
196.14630	1.4
205.12360	1.9
205.15878	0.9
211.13390	1.4
220.14641	2.8
221.15474	4.8
223.13358	9.1
224.13812	1.0
228.13686	1.3
230.98822	0.9
231.21010	1.2
236.10497	3.7
249.18614	1.6
256.13165	5.2
265.21933	1.1
275.20093	11.8
293.21188	100.0
294.21494	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.2
59.01367	2.3
70.53109	1.2
70.53477	0.8
71.04997	0.7
83.05048	0.7
83.15553	0.4
97.06554	1.0
109.06576	0.7
111.08167	0.7
113.09721	18.3
127.25836	0.5
139.11282	1.8
149.09653	0.9
166.70062	0.5
167.10730	2.5
177.12788	1.0
179.10753	1.4
179.14337	0.6
182.46982	0.6
187.83823	0.5
195.13895	3.0
221.15521	0.9
223.16982	0.8
231.21147	0.5
235.17026	5.1
249.22295	1.9
270.25726	0.5
275.20123	7.2
276.20465	0.9
293.08923	1.4
293.21213	100.0
294.21509	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01376	5.4
69.03458	1.6
71.01376	2.9
71.05034	0.8
85.02934	0.8
87.00784	0.6
89.02425	1.9
96.95985	0.8
101.02435	1.3
102.28390	0.6
119.03461	0.6
123.08154	1.2
136.08910	1.4
139.11266	1.4
151.11244	2.3
153.09175	0.9
153.12854	0.9
169.12297	2.1
177.09242	0.7
192.11581	1.9
193.15944	4.1
195.13985	0.6
197.11818	36.4
198.12108	2.0
220.14659	3.9
221.15450	6.0
231.21165	1.6
235.13153	0.6
236.10536	5.1
249.18515	1.6
275.20126	20.5
276.20428	1.3
293.12515	3.2
293.21191	100.0
294.21490	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
92.29874	1.3
121.10229	48.5
122.10518	2.1
125.09702	2.3
140.03337	1.3
163.13052	1.5
165.56247	1.3
171.10263	77.1
172.10603	3.5
178.64211	1.3
183.10335	2.2
183.13881	10.9
185.11816	4.0
211.13397	3.0
231.21158	4.9
235.16994	2.8
275.20139	100.0
276.20547	5.9
293.21216	88.6
294.21518	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
57.77885	0.5
59.01358	0.6
64.14425	0.6
70.84011	1.3
71.20718	0.5
83.05064	0.6
93.07095	1.2
97.06581	1.8
111.08134	1.3
121.10239	12.9
122.35804	0.5
123.08163	1.6
125.09727	5.8
131.09866	0.6
139.60413	0.5
141.12846	1.0
147.08150	0.8
165.12909	0.8
167.10809	0.8
185.11806	13.6
194.55844	0.6
195.13887	1.3
197.11839	2.5
209.11797	1.1
211.13332	1.3
247.13214	0.7
247.20633	1.9
248.82538	0.5
273.18552	1.8
291.19644	100.0
292.19995	9.7
303.92499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.64164	0.9
57.03456	1.4
58.74759	1.0
59.01389	5.0
61.98819	2.4
62.71724	0.9
74.06726	0.9
75.30718	1.0
84.06559	1.0
86.36559	0.9
92.68098	1.0
103.93801	1.0
108.52070	0.9
111.08173	16.0
115.92056	1.8
167.10788	2.6
177.12856	1.9
179.10750	2.1
193.15826	0.9
195.13904	9.0
247.20624	3.8
262.99564	0.9
273.18549	1.9
291.19653	100.0
292.20001	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0877
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.94178	1.8
55.01863	2.6
58.00586	5.0
59.01376	91.8
59.26542	2.0
69.03438	8.0
71.01379	97.2
72.99297	5.0
73.02943	13.8
75.00862	3.6
81.03423	5.7
83.01366	6.7
85.02947	10.2
87.00887	3.4
89.02444	100.0
95.01363	2.6
95.95228	84.5
96.95942	2.4
97.02946	12.4
98.19839	2.9
99.00883	11.4
99.04499	2.3
101.02429	15.3
111.00937	2.5
113.02429	8.8
115.03986	8.1
119.03451	2.7
121.06650	2.1
125.02448	32.0
126.42687	2.0
129.28902	1.8
131.03474	5.6
131.07199	2.0
134.03645	2.5
137.02364	2.0
143.03490	4.1
149.04546	4.9
169.07666	6.2
205.08910	2.2
232.96591	1.9
233.06667	12.8
245.68465	1.9
262.69641	2.0
293.08734	4.5
293.12296	8.5
293.16635	8.0
293.21191	4.0
294.06448	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
58.00583	2.0
59.01377	57.0
63.28037	0.7
69.87688	3.1
71.01381	24.2
71.01778	1.3
72.99290	1.7
73.02937	0.9
80.08454	0.7
83.01372	2.1
84.75220	0.6
85.02949	5.8
85.06580	20.1
87.00858	1.4
89.02446	21.9
95.01374	2.0
98.20065	1.2
101.02435	14.0
113.02444	9.0
113.06073	5.3
114.89269	0.6
115.07640	2.0
119.03492	10.0
127.07644	2.4
131.07135	70.9
132.07492	2.4
143.03519	0.9
147.77240	0.9
171.14252	0.7
173.08162	3.0
179.05612	1.6
251.19359	0.7
256.13995	0.8
268.18942	0.8
293.12408	100.0
294.12701	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39679	0.2
59.01360	0.4
65.88114	0.3
67.58884	0.3
70.40451	0.8
71.01373	7.9
72.29314	0.3
76.28587	0.3
109.61710	0.2
127.07649	0.8
148.05258	1.5
151.07664	0.4
164.08354	1.4
177.09193	5.1
178.09532	0.3
190.09993	0.4
192.11563	7.1
193.11983	0.6
205.12315	7.2
206.12624	0.4
207.13782	0.5
212.17708	0.2
217.08835	0.4
218.09470	2.0
220.14664	47.6
221.15442	100.0
222.15796	6.7
225.58864	0.3
235.13315	0.9
236.10515	66.6
237.10909	4.7
293.12411	0.5
293.17639	7.2
293.21085	1.3
294.17776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Discosiolide
Peak:m/z	Relative Intensity
50.35873	0.3
59.01379	2.0
61.43102	0.3
64.04395	0.4
65.44665	0.3
71.01379	2.2
78.95884	0.4
83.01383	0.5
89.02440	1.4
92.83395	0.3
93.58063	0.3
96.96003	0.6
99.00878	3.9
101.02432	0.6
114.31207	0.4
119.03460	0.4
136.08934	54.0
137.09235	2.0
164.88470	0.3
169.07591	0.7
177.09203	4.4
177.12695	0.4
192.11555	32.7
193.15959	100.0
194.16322	5.8
205.12364	0.6
213.39296	0.4
220.14647	3.1
221.15448	5.4
229.03270	0.4
236.10513	4.5
237.11060	0.4
249.18581	32.2
250.18857	1.8
273.84729	0.4
275.20163	0.4
293.09055	0.8
293.12814	1.7
293.17627	34.1
293.21149	5.1
294.17938	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	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.68588	0.2
59.01376	1.9
69.03449	0.2
69.41626	0.9
69.42048	0.6
71.01377	0.5
80.02687	1.4
81.03450	0.7
83.05016	0.8
83.54887	0.2
84.65027	0.2
90.01011	0.2
93.03468	0.3
95.05013	0.9
97.06573	0.3
98.19887	0.2
106.04241	1.8
107.05039	1.1
109.06586	10.6
110.06921	0.5
111.08159	2.3
114.09332	0.2
117.07154	0.2
119.05015	0.5
119.08633	0.2
120.05804	0.6
121.06583	0.5
123.08163	2.3
129.09222	0.4
131.05043	0.2
133.10197	0.4
134.07335	0.4
135.08162	1.0
135.11830	0.3
137.09721	1.5
141.09201	0.3
143.10765	2.3
145.06584	3.4
149.09732	2.2
151.11287	1.2
159.08101	0.6
163.11250	0.8
167.10745	2.4
167.72821	0.2
177.09236	0.2
177.12801	0.5
179.10721	1.0
181.12320	0.7
191.14412	0.5
205.12384	0.2
215.14386	0.4
216.15137	0.3
217.15887	0.5
227.18011	0.4
229.16100	0.4
243.17531	0.6
245.19095	7.6
246.19432	0.4
259.13409	0.2
261.18481	0.4
271.16989	1.9
273.15024	1.0
287.16525	3.3
288.16901	0.3
289.18073	100.0
290.18433	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	289.1811
Annotation	Deoxy phytoprostane J1
Peak:m/z	Relative Intensity
59.01381	4.8
73.37768	0.5
80.02673	1.0
83.05032	1.2
95.05031	2.2
97.06621	1.2
98.20720	1.1
106.04261	1.0
108.02215	0.6
109.06580	1.8
119.05042	1.3
119.08675	2.8
123.08154	2.1
145.06592	0.9
148.08835	0.7
149.09651	0.7
150.10504	0.7
160.08948	0.7
161.09731	1.8
161.92122	0.6
162.10561	0.8
163.11296	12.1
164.11821	0.6
165.12851	1.4
173.09744	0.6
174.10406	0.6
175.11232	1.3
177.12836	2.1
185.56709	0.7
189.12723	1.5
191.14418	18.4
192.14694	0.9
199.48003	0.6
217.15979	2.1
227.18080	1.0
229.15829	0.7
243.17662	0.8
245.19086	36.1
246.19418	1.9
247.17010	0.7
271.16977	5.2
289.18091	100.0
290.18463	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.98478	0.4
58.40061	0.4
65.54610	0.4
65.95762	0.4
69.55453	0.4
70.09399	0.4
71.53619	0.6
77.87956	0.4
81.72195	0.5
97.06570	0.7
118.73132	0.4
119.08663	4.4
125.09732	0.9
131.05090	0.4
131.60458	0.4
162.76053	0.5
229.15878	3.0
245.19128	1.0
257.15411	7.7
258.15817	0.6
271.17087	0.7
289.18082	100.0
290.18399	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	291.0147
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
51.81990	0.3
72.05466	0.3
74.19115	0.3
76.15587	0.3
107.05054	0.4
117.03496	0.4
119.05032	2.3
121.02946	0.4
123.00855	0.3
131.05061	0.4
133.02931	0.4
135.04555	1.4
136.13495	0.3
145.02950	3.0
146.03763	0.3
147.04520	3.2
161.02411	0.5
163.03986	2.7
173.02417	4.1
174.03134	0.8
175.03995	2.8
175.33331	0.3
176.01103	0.4
177.01901	0.6
189.01949	0.5
190.02731	3.1
191.03482	13.7
192.00566	0.4
192.03822	0.6
201.01918	0.9
203.03481	1.2
217.01402	0.5
218.02231	0.6
219.02986	5.6
229.01329	0.8
246.01730	0.4
247.02457	100.0
248.02780	5.3
291.01450	9.2
291.04697	0.5
292.01712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.19760	0.4
55.01509	0.3
58.14449	0.3
59.01377	0.9
63.11994	0.3
65.93272	0.3
71.53502	0.5
73.02943	46.9
74.03302	0.8
78.10149	0.3
87.45722	0.4
88.80301	0.3
96.23779	0.3
114.10812	0.3
115.92128	0.4
165.12823	0.6
178.47701	0.3
183.14050	0.3
192.77161	0.4
203.62840	0.4
246.98854	0.4
291.19647	100.0
292.19983	8.0
303.97885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
55.73014	1.0
59.01371	3.4
68.84565	1.1
69.03450	1.2
71.01383	2.3
73.02950	1.8
82.70898	1.1
97.06583	100.0
98.06916	2.3
111.08143	1.4
119.05052	1.4
137.09651	2.2
149.13292	1.8
165.12766	1.2
166.42671	1.1
171.10265	27.4
172.10692	1.5
183.13889	3.1
183.30031	1.1
193.12314	26.5
194.12973	2.8
211.13376	61.2
212.13741	3.4
229.86884	1.3
247.20702	2.7
251.74548	1.2
263.20154	5.1
273.18588	5.8
291.19647	96.5
292.20004	11.3
294.28409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01370	0.4
60.52430	0.2
69.79028	1.2
70.36373	0.2
80.02674	0.3
95.05029	0.6
97.06600	0.5
98.19994	0.4
106.04273	0.2
113.06066	0.4
119.05023	0.5
121.10253	0.2
122.11473	0.3
125.06066	0.6
141.09148	0.2
148.08936	1.8
150.10483	1.4
151.11240	0.6
163.11298	1.0
165.12837	22.3
166.13162	1.3
175.11273	0.9
176.12021	0.5
177.12724	0.3
179.14406	0.4
191.14401	0.9
193.12263	0.3
217.15961	0.5
229.19493	0.3
245.19006	0.4
247.20650	11.4
248.20932	0.9
263.20081	0.2
273.18579	6.9
274.18927	0.4
291.19638	100.0
292.19983	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	289.1082
Annotation	trans-Resorcylide
Peak:m/z	Relative Intensity
69.30696	0.9
69.31104	3.5
71.01376	0.6
71.63484	0.5
93.03454	1.5
98.20659	1.2
107.05016	2.1
109.02959	9.4
109.06564	0.8
121.02922	1.4
122.03736	3.4
124.01620	0.7
135.04532	3.4
137.02451	2.1
146.03712	2.0
146.21312	0.5
147.04512	1.3
152.04788	2.6
154.02756	0.9
158.03659	0.6
159.04521	6.0
161.02467	1.6
167.07208	0.5
169.06445	0.6
169.97032	0.5
172.05310	13.7
173.06047	3.8
174.03218	1.4
174.06816	1.8
175.03911	0.8
183.04527	1.0
184.05310	1.2
185.06067	5.1
186.06778	1.2
187.04005	5.9
187.07611	5.5
196.05325	1.0
197.06079	12.5
198.06805	4.6
199.04156	0.8
199.07545	1.2
200.04781	5.4
200.08366	1.5
201.05611	4.9
201.09193	20.9
202.09636	1.5
205.01443	0.7
211.07602	2.9
212.08400	0.8
213.09207	33.3
214.09601	1.9
215.07118	4.0
215.10706	2.6
217.05043	5.4
229.05098	0.9
229.08685	7.4
230.09453	12.9
231.02948	0.6
231.09882	1.5
245.04491	0.9
245.08093	1.3
245.11839	10.4
257.08124	1.5
260.10376	0.5
261.11200	0.8
274.01025	0.6
289.10812	100.0
290.11145	8.5
311.41849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12162	0.6
59.01371	0.9
59.45403	0.6
67.01887	1.8
69.03454	100.0
69.30795	2.2
69.31224	3.8
70.03780	1.4
71.01409	0.7
72.81099	0.6
73.24790	0.6
75.29671	0.7
86.28687	0.8
91.87041	0.6
93.03470	1.8
96.95979	1.0
101.02402	0.9
106.15675	0.6
107.99464	0.6
111.04545	1.1
115.31459	0.7
119.05011	1.0
121.02950	9.1
121.06804	0.6
123.04489	1.0
129.92007	0.6
137.06099	1.5
143.07152	2.3
169.08690	5.2
184.13628	0.6
187.04039	1.0
202.64813	0.6
213.11406	2.3
245.04526	1.0
289.03458	1.1
289.16348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Lycoramine
Peak:m/z	Relative Intensity
50.54419	0.2
55.01223	0.2
56.51634	0.3
57.14640	0.2
59.01394	0.3
71.53652	0.3
81.03448	1.7
87.21764	0.3
92.05055	1.1
93.03462	2.0
107.03787	0.4
108.02199	0.6
108.04556	5.7
109.02940	6.3
121.00512	0.3
121.02941	0.6
124.01651	0.4
134.02477	39.0
135.03290	9.3
136.04037	41.3
137.02452	1.6
137.04439	1.4
148.04037	1.0
149.04816	1.4
172.90114	0.3
173.04599	0.3
176.03532	4.9
176.07109	0.3
177.04204	0.6
181.03796	0.4
187.07672	0.4
192.04282	0.3
204.06657	0.5
260.16534	0.4
261.14856	0.3
270.15067	0.3
288.16034	100.0
289.16089	7.7
305.73148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.119
Annotation	Sempervilam
Peak:m/z	Relative Intensity
53.35622	0.2
57.03467	0.3
58.70874	0.3
59.01375	0.5
65.03974	0.3
71.52484	0.3
80.51834	0.3
93.03438	0.4
109.06603	0.5
116.05077	2.1
117.07114	2.0
119.05000	0.7
123.08160	0.4
125.02473	0.5
130.06624	1.6
132.04546	0.3
142.06618	0.6
144.04547	100.0
145.04890	3.7
157.05309	0.5
167.06148	1.4
189.12872	0.6
231.79364	0.3
243.17569	2.8
244.07693	0.6
244.09964	0.4
254.08521	0.3
257.10947	0.6
259.08948	0.4
259.12286	0.6
269.15491	0.4
270.07892	0.6
271.02219	0.3
271.08762	0.8
272.09518	1.1
283.08823	2.3
285.10300	5.0
286.10751	0.3
287.11920	31.9
287.16571	6.6
287.22360	0.6
288.12177	2.8
288.16953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96315	0.5
59.01375	4.8
65.03957	0.7
69.63956	2.8
73.51257	0.5
81.03455	1.8
83.05017	1.4
93.03432	0.5
93.07108	0.6
95.05037	4.7
97.06568	1.0
105.07123	0.6
106.04241	1.8
107.05008	2.2
107.08678	0.6
109.06586	7.2
111.08157	0.9
114.35178	0.5
117.07110	0.9
119.05011	1.1
119.08642	0.8
120.05786	0.5
121.06580	2.7
121.10218	1.8
123.08154	5.9
125.02396	0.7
127.07679	0.8
131.05095	0.7
131.08696	0.6
132.05782	0.8
133.10254	1.3
135.08147	2.3
141.09166	0.6
145.06509	0.8
147.08124	4.5
149.09718	3.6
157.06631	1.2
158.07404	0.8
159.08040	1.2
160.08934	1.0
161.09688	4.2
163.11272	0.8
171.08170	0.9
173.09691	1.5
175.11237	2.4
177.09152	0.8
185.09583	0.9
186.10487	1.2
187.11256	1.7
189.12817	10.6
190.13235	0.7
191.10800	0.7
201.12860	0.7
201.16463	0.8
215.14337	2.4
225.16457	1.4
227.14282	0.6
243.17511	36.9
244.17931	3.2
245.15489	0.8
269.15414	3.3
287.16504	100.0
288.16821	8.9
288.19714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.04357	0.2
63.02390	1.0
65.00323	3.4
65.00644	0.3
69.23812	0.2
69.24216	1.4
81.03462	0.2
83.01392	1.6
95.05048	0.2
102.78139	0.2
105.03463	0.8
107.01387	4.8
121.02925	1.1
123.04514	1.4
126.70063	0.2
132.02185	0.7
133.02954	30.1
134.03282	1.2
134.74501	0.2
143.05016	0.4
149.02419	3.6
151.00360	9.5
152.00719	0.2
159.04474	0.2
169.06586	0.2
171.04492	1.0
173.02423	0.3
174.03221	0.2
175.04004	5.6
175.05528	0.3
176.04318	0.3
177.01932	0.2
183.04462	0.2
185.06079	0.6
187.03972	0.3
189.05573	0.5
197.06073	0.6
198.03149	0.8
199.04001	4.1
200.04439	0.2
201.01909	1.6
211.04008	0.6
213.05470	0.9
214.02596	0.4
215.03546	1.1
217.05048	2.5
218.05482	0.2
223.04047	0.4
226.02679	0.4
227.03444	0.2
229.05081	0.5
239.03481	0.4
241.05045	1.5
242.02087	0.3
243.03011	1.2
257.04547	0.8
267.02939	0.4
284.27081	0.3
285.04031	100.0
286.04385	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.53567	0.3
60.93761	0.3
69.44977	0.9
69.45397	1.8
70.02979	0.9
74.06120	2.3
77.05460	0.3
77.88545	0.4
98.19901	0.5
118.05074	0.9
123.04557	0.6
124.04877	0.8
134.68559	0.3
140.13078	0.3
240.23346	3.4
242.21254	1.5
260.74951	0.4
268.22757	0.7
286.23871	100.0
287.16605	1.0
287.24268	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.42487	0.4
59.01373	0.6
69.87698	1.5
107.05029	100.0
107.56734	0.3
108.05382	2.7
123.04520	0.5
163.11281	98.6
163.49387	0.3
164.11592	4.3
173.01779	0.3
234.56117	0.5
283.17023	80.2
283.26352	24.4
284.17316	6.3
284.26721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77024	0.2
59.01384	0.2
59.68433	0.1
63.02394	1.6
65.00315	0.7
65.03977	0.4
67.01878	0.3
68.54532	0.1
69.36050	1.1
72.99328	0.4
79.01904	0.6
81.33025	0.1
83.01364	0.7
87.20366	0.1
89.03979	0.2
91.01897	1.4
93.03452	6.3
94.03783	0.2
95.01392	0.3
98.20721	0.3
107.01389	4.2
108.02184	0.5
109.02957	2.2
117.03458	2.3
119.01398	0.6
119.05013	0.4
121.02953	0.6
123.00909	0.4
123.04517	1.2
129.03473	0.2
130.04242	0.7
130.08772	0.3
131.05022	1.6
132.02155	0.2
133.02963	0.4
133.06577	0.2
135.00870	2.9
135.04535	0.2
137.02454	1.0
141.07112	0.8
141.60730	0.1
143.05025	4.0
145.02969	1.1
145.06621	0.6
147.00911	0.2
147.04538	0.2
151.00337	1.0
153.01962	0.6
154.04268	1.2
155.05040	1.0
156.05811	1.4
157.03008	0.4
157.06595	2.7
158.03746	0.9
159.04510	5.5
160.04877	0.3
161.02435	0.5
161.06075	0.4
163.00375	3.8
164.01071	0.3
165.01938	1.0
167.05017	2.1
168.05775	0.4
169.02950	0.4
169.06589	1.9
171.04503	2.0
172.05098	0.2
173.02390	0.8
173.06044	0.8
174.03258	0.4
182.03677	0.8
183.04504	2.4
184.05144	1.3
185.02464	0.4
185.06073	6.7
186.02917	0.5
186.06433	0.3
187.03996	10.0
188.04318	0.6
189.05563	2.3
192.00626	0.3
195.04517	1.6
196.05220	0.5
197.06062	2.2
198.03191	0.6
199.03999	1.5
199.18117	0.2
200.04517	0.3
201.05557	1.8
210.03131	0.2
211.03981	4.7
211.07449	0.3
212.04486	1.1
213.01953	0.2
213.05556	4.0
214.02609	1.1
214.05890	0.4
215.03487	0.8
223.04036	0.4
223.07617	1.6
224.04759	0.2
224.07971	0.2
226.02696	0.4
227.03481	7.0
228.03836	5.2
229.05040	24.5
230.05334	1.6
239.03473	3.2
240.04225	1.9
241.05025	3.3
242.05577	0.2
243.03020	1.2
255.02980	2.7
256.03363	9.0
257.04547	11.8
258.04993	0.7
267.02991	2.1
267.06586	0.7
268.03589	0.3
284.03204	0.2
285.03989	100.0
286.04358	6.9
290.93042	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	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85537	0.5
59.01379	16.9
66.69530	0.5
67.01897	2.0
69.03454	100.0
69.17542	2.6
69.17975	2.5
70.03793	1.8
71.01373	0.8
71.05019	0.8
85.02972	0.7
90.43912	0.5
90.64858	0.5
93.03473	1.3
95.05032	4.1
96.96008	0.6
97.02971	0.6
98.20679	1.2
113.02451	1.9
123.08167	11.4
145.03030	0.5
149.09706	7.7
151.11328	1.3
161.02560	0.5
167.10770	2.1
172.10600	0.5
175.11273	17.3
176.11642	0.8
177.09225	0.7
179.03391	0.6
187.56250	0.5
191.05618	2.8
191.14404	7.6
193.12315	3.7
202.82578	0.7
203.10762	1.7
219.10313	2.8
219.13876	35.4
220.14320	1.8
237.14989	1.1
263.12857	9.1
281.14053	1.3
281.24777	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	283.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
59.97562	0.6
71.01353	0.7
71.11505	1.6
78.77478	0.6
81.77289	0.7
97.06508	0.6
99.08099	0.6
101.02422	0.7
121.02933	1.9
122.03721	1.0
123.04523	1.0
136.05293	0.8
139.11290	3.0
168.04330	0.7
195.17538	1.7
203.14371	0.7
221.15462	9.7
237.14555	0.6
239.16515	100.0
240.16843	7.7
247.13387	6.2
265.14420	40.0
266.14844	3.4
283.06219	1.3
283.15509	29.7
283.26416	27.2
284.15863	2.4
284.26837	1.5
296.17813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
59.01358	2.1
64.05439	0.5
64.70983	0.6
64.81354	0.5
69.75489	1.3
69.75894	2.1
71.01405	0.7
78.41555	0.7
89.02435	0.8
97.06575	0.8
98.19839	0.6
121.02943	2.5
122.03683	1.3
136.05223	0.6
139.11279	2.7
179.46475	0.5
195.17514	2.8
203.14340	1.0
221.15446	8.8
239.16512	100.0
240.16826	6.6
247.13403	5.4
265.14423	39.1
266.14911	2.8
283.15494	27.2
283.18637	1.3
283.26385	25.7
284.15732	1.5
284.26718	1.8
298.28745	0.6
303.74802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
102.80910	0.5
239.89513	0.5
279.23279	100.0
280.23593	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47243	0.3
56.26138	0.3
56.88552	0.3
59.01376	2.7
64.64124	0.3
65.03958	0.5
69.03439	0.8
70.28008	0.5
70.28407	0.6
71.01366	2.0
73.02939	1.0
83.01393	1.7
85.02942	1.0
87.00873	0.5
89.02412	0.3
93.03455	91.3
94.03780	2.0
96.96022	1.5
98.21034	0.3
99.00795	0.3
101.02425	0.9
107.04996	0.8
113.02439	0.9
119.05033	0.4
121.02964	1.8
131.05040	0.4
133.02943	0.8
133.55270	0.3
135.04524	2.1
137.02437	100.0
138.02777	2.3
147.04535	0.4
149.02415	0.9
149.40073	0.3
151.03998	3.2
161.02438	0.9
161.04480	0.4
163.03940	0.7
164.36209	0.3
173.04536	0.3
175.53615	2.1
179.03563	2.2
187.03900	0.4
191.03528	0.6
191.05598	0.9
191.33473	0.3
199.71324	0.3
203.03456	0.3
209.07254	0.3
211.13434	1.2
242.82353	0.3
281.06693	1.1
281.14096	0.7
281.17535	0.3
281.24741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93429	0.6
59.01379	16.4
61.35890	0.6
67.01892	1.3
69.03455	100.0
70.03777	1.6
71.01388	0.8
71.05016	0.6
85.02947	0.6
93.03474	0.7
95.05023	2.8
98.19877	1.6
99.60394	0.6
107.10702	0.6
113.02428	1.3
123.08155	11.7
149.09712	7.1
151.11336	1.1
167.10809	2.1
175.11264	15.2
176.11624	0.8
179.03725	0.8
191.05603	1.2
191.14403	7.7
193.12286	3.5
203.10799	2.4
219.13890	33.9
220.14247	2.0
237.14972	1.3
263.12842	6.6
281.10913	0.8
281.14011	2.0
281.24887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.1
67.01894	1.2
67.63539	0.5
68.58182	0.6
69.03454	100.0
70.03802	1.4
71.01376	1.3
71.10041	0.6
71.54399	1.1
85.02943	1.3
93.03451	2.0
93.07069	0.7
95.05026	4.5
113.02459	2.4
123.08161	12.1
133.02959	0.7
135.04582	0.9
137.02414	1.2
144.49696	0.7
149.09731	8.3
151.11281	1.0
161.02428	0.7
161.04626	0.7
167.10818	2.1
173.04672	0.7
175.11272	15.4
175.53616	1.1
176.11604	1.2
177.09224	0.7
191.05615	4.0
191.14409	6.1
193.12326	4.0
203.10699	1.4
211.13373	1.1
219.10310	3.2
219.13876	32.1
220.14270	2.3
237.14934	1.6
263.12854	6.1
281.13950	2.1
281.24857	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.51052	0.3
59.01381	3.3
71.01362	0.8
75.27654	0.3
127.07655	0.5
130.93431	0.3
131.51422	0.3
191.44539	0.3
233.22780	0.5
239.64047	0.3
259.20724	0.4
275.20132	0.5
276.96198	0.3
277.21701	100.0
278.22018	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01369	0.8
64.90073	0.2
70.83304	0.3
70.83654	0.6
71.01378	0.4
76.40374	0.3
83.04962	0.3
83.40031	0.3
110.30185	0.2
127.07660	0.3
150.55479	0.2
225.72418	0.3
233.22742	0.5
275.20181	0.3
277.21698	100.0
278.22052	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	279.1082
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01876	0.9
57.03448	1.4
58.00584	2.2
58.61235	0.6
59.01377	52.2
67.56261	0.6
68.89061	0.7
69.57125	2.1
69.57533	1.8
71.01380	27.9
71.05016	5.7
72.99300	2.3
73.02928	1.4
75.00858	1.9
78.95918	0.8
83.01386	1.8
85.02942	4.7
87.00880	1.4
89.02441	29.1
93.03451	0.7
95.01362	1.5
96.96992	0.7
99.04517	18.1
101.02434	15.7
101.06072	1.1
113.02444	9.9
115.91995	0.8
117.05573	35.3
118.06620	0.9
119.03508	11.1
129.05618	0.8
131.03513	0.7
147.06621	22.2
148.06990	1.1
149.04524	0.7
150.09258	1.0
159.06636	2.0
166.89868	0.6
179.05569	2.1
191.05576	2.1
279.10837	100.0
280.11182	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.91882	0.3
59.01379	3.0
60.10394	0.3
60.97561	0.6
69.40193	0.5
69.40601	1.8
71.01434	0.3
75.96294	0.3
78.82449	0.3
95.20100	0.3
103.02218	2.2
104.94719	0.5
107.38496	0.3
121.03284	4.1
137.50870	0.3
146.99445	1.3
147.08473	5.9
149.00992	1.0
159.95107	0.3
165.00441	12.4
165.01852	0.6
166.00568	0.7
180.99980	0.7
189.04028	1.5
191.05641	11.7
192.05823	0.6
205.07216	1.3
205.15990	0.8
207.05121	0.6
217.07135	0.8
231.08723	2.0
233.10321	100.0
234.10492	8.0
259.15543	1.1
277.16544	87.6
277.21213	16.5
278.16733	7.8
278.22000	1.0
283.87613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.75914	0.2
58.30207	0.2
59.01375	2.4
60.00905	0.2
61.04241	0.2
69.18420	1.0
69.18852	0.9
71.01374	0.6
71.37058	0.2
109.90398	0.2
113.06128	0.2
113.26477	0.2
127.07627	0.4
145.31209	0.2
174.02109	0.2
177.51682	0.2
233.22722	0.6
259.20761	0.2
275.20297	0.3
277.21698	100.0
278.22067	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
61.00626	0.3
61.98837	0.6
71.01376	1.0
71.09637	0.6
79.95721	1.7
83.04996	0.3
127.07688	0.6
205.15930	1.3
233.15585	0.4
233.19017	0.8
233.22517	0.5
259.20746	0.5
275.19992	0.6
277.18192	10.8
277.21674	100.0
278.18246	2.6
278.22037	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	276.9367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51515	1.5
69.00599	1.6
71.20856	3.3
75.84822	1.3
78.95899	100.0
86.15134	1.5
94.78094	1.5
96.96044	8.0
96.96960	38.9
96.97593	2.2
97.22047	1.5
100.82801	1.8
101.93250	1.9
134.96118	2.8
136.94008	4.9
136.94925	2.0
178.94814	4.3
178.96283	10.7
196.92635	7.3
198.90549	99.1
199.90570	5.9
214.93651	13.9
216.90495	97.0
217.90816	4.0
234.91614	8.1
240.91591	38.9
244.75906	1.7
258.92627	93.5
259.92682	4.4
270.65396	1.6
277.05048	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	277.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22970	1.0
59.01372	1.2
61.06608	0.9
78.95898	48.4
86.64023	1.0
88.43959	1.0
89.02446	2.0
90.24066	0.9
96.96957	100.0
117.57699	0.8
130.64819	1.1
140.08884	0.9
149.04480	1.8
198.90501	3.8
216.90352	2.1
258.92828	1.5
259.15152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2484
Annotation	Margaric acid
Peak:m/z	Relative Intensity
63.65618	0.8
71.51366	1.3
80.79580	0.9
141.48149	0.8
211.07741	0.8
269.24832	100.0
270.25098	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	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01862	0.4
67.08495	0.3
69.97118	0.3
70.58511	1.1
84.02149	0.4
98.20588	0.3
108.02216	0.3
109.02931	0.4
119.86771	0.4
153.99370	0.3
164.46315	0.3
197.19145	0.7
221.18967	0.6
223.20657	4.3
224.21085	0.4
225.22215	64.5
226.22562	4.1
253.21666	1.4
258.37604	0.4
269.21277	0.5
270.75067	0.3
271.22757	100.0
272.23132	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	273.004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15953	2.5
69.16382	3.2
71.22208	0.5
80.86958	0.6
117.03471	5.5
136.79402	0.5
145.02946	22.0
157.02937	2.5
173.02429	94.6
174.02821	3.6
189.02002	0.5
201.01920	28.9
202.02255	1.6
208.68988	0.5
217.00627	0.5
221.07224	0.6
229.01514	0.8
244.98183	0.9
245.00897	88.3
246.01268	5.1
273.00394	100.0
274.00732	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	267.2327
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
54.07011	0.3
54.40102	0.4
59.01379	0.8
64.69348	0.4
65.00333	0.5
70.58023	1.2
70.62952	0.4
70.73967	0.3
80.83373	0.3
88.71429	0.4
91.56255	0.4
96.37859	0.4
98.95587	1.2
107.85060	0.4
119.66793	0.4
124.02039	0.4
188.49023	0.4
188.57172	0.4
267.23260	100.0
268.23618	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	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01377	1.6
68.00131	0.3
71.01373	0.9
90.24287	0.3
98.19855	0.6
101.02481	0.4
108.11645	0.3
118.54175	0.3
127.07656	0.4
219.21077	0.8
245.18918	0.3
255.22075	0.3
263.20129	100.0
264.20465	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	265.0978
Annotation	Miroprofen
Peak:m/z	Relative Intensity
59.01368	1.6
68.99806	1.4
71.01398	0.7
71.54564	0.5
94.02983	28.4
101.02412	0.6
110.02526	0.6
116.05065	2.3
122.02475	37.1
123.02805	0.6
142.06618	9.8
143.06998	0.6
156.08163	0.7
169.07701	100.0
170.08084	3.9
193.07675	0.9
195.09247	1.7
205.07654	1.0
207.09221	2.3
209.07138	1.4
209.10855	1.2
217.07715	1.0
219.09204	0.9
220.06651	0.7
221.07210	0.5
221.10779	5.2
222.07930	2.5
233.07242	1.1
235.08742	23.3
236.09146	0.7
237.10294	3.6
247.13617	0.5
263.08255	2.7
265.09787	87.5
266.10153	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	265.1443
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
56.26936	0.7
58.13111	0.7
59.01374	6.0
63.54023	0.8
69.37025	0.8
70.02065	1.6
70.02483	2.5
71.01382	2.3
74.94817	0.8
75.49813	0.8
83.05047	1.3
85.02928	2.2
86.99225	0.8
87.36455	0.8
89.02433	0.9
93.03431	0.9
96.96017	4.1
98.19949	1.1
99.00928	0.7
101.02458	1.4
103.26825	0.8
109.06591	1.4
111.04488	1.6
121.02936	3.7
122.03732	4.4
123.04537	1.9
134.04742	2.0
137.06067	1.0
149.09662	1.1
203.14406	5.3
205.12296	1.1
219.13959	1.3
221.15450	62.0
221.37740	1.0
222.15784	2.6
224.92348	0.9
247.13367	15.5
265.14426	100.0
265.21692	32.9
266.14804	5.1
266.17090	0.9
266.22025	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	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.41523	0.9
57.03425	1.2
59.01376	5.7
59.40644	0.9
69.03454	1.6
71.01366	2.7
71.43737	1.2
72.99312	1.0
78.95903	18.2
83.05025	1.2
93.03434	1.3
95.01402	1.1
95.05005	1.3
96.95994	4.2
97.06596	1.5
101.02439	1.0
106.88655	0.8
112.31054	0.9
113.02437	1.3
121.10216	1.9
125.26674	0.9
126.49429	0.9
134.04738	1.1
141.90157	0.9
143.07094	2.7
149.09668	2.0
151.11249	3.0
151.12398	1.0
153.12875	0.9
163.04016	1.3
167.10771	28.5
171.61668	1.0
177.09171	1.4
178.41344	0.8
188.32484	0.9
193.16054	1.0
195.10313	6.3
203.17996	2.7
221.00681	0.9
221.11771	1.4
221.15506	1.1
221.19174	1.3
228.76762	0.9
237.18552	1.1
247.17024	10.3
265.15048	5.7
265.18060	100.0
266.18317	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	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01373	1.1
71.01364	0.5
78.99126	0.3
79.95724	0.6
96.96009	19.4
97.31241	0.4
101.02431	0.4
131.64421	0.4
150.21051	0.4
177.88158	0.4
247.20717	0.4
265.14810	13.4
265.21704	100.0
266.15076	1.1
266.22079	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	267.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32268	0.4
52.72771	0.3
59.01373	0.9
69.03451	1.0
69.40443	2.7
71.01370	0.5
76.87879	0.4
78.95902	44.9
85.02983	0.6
87.00876	0.4
93.03444	0.7
96.96958	100.0
98.20687	0.7
101.02413	0.4
108.08693	0.3
109.81345	0.3
135.04521	1.0
168.98973	0.6
179.03694	0.4
190.57491	0.3
191.05640	2.2
228.05251	1.8
267.05734	0.5
283.06320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15114	1.0
55.01873	5.8
57.03437	4.1
58.00579	3.5
59.01376	100.0
61.98820	3.1
69.03449	2.9
71.01378	95.3
71.51337	1.5
72.01720	1.2
72.99294	3.6
73.02941	21.7
83.01382	10.4
84.02142	1.0
85.02947	37.5
87.00862	5.7
87.04505	2.1
87.58027	0.9
89.02437	41.4
95.01395	7.2
97.02939	1.6
99.00877	8.6
101.02439	76.7
102.02762	1.6
103.03975	1.1
105.05569	12.9
113.02442	36.6
114.97515	1.1
119.03503	15.4
120.99664	4.6
125.02438	2.3
129.01923	1.2
131.03490	2.3
143.03511	3.2
143.70239	1.0
145.20126	0.9
159.03003	7.8
161.04547	40.5
162.04857	1.3
165.07704	1.3
179.05675	2.4
267.10818	40.4
267.13687	2.4
268.11221	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	263.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81008	0.4
57.03444	0.7
58.00604	1.1
59.01378	18.3
62.75307	0.4
69.36655	3.1
71.01382	12.4
72.99306	1.2
73.02956	0.5
83.01382	0.7
85.02955	2.2
85.06589	21.2
87.00857	0.9
89.02441	13.1
89.60077	0.4
92.03329	0.4
96.30169	0.4
96.96021	0.8
99.00880	0.5
101.02448	1.1
113.02461	1.6
113.06100	3.4
114.84416	0.5
115.07632	1.2
122.06716	0.4
127.07642	0.7
131.03471	1.3
131.07140	100.0
132.07477	2.7
149.04555	1.5
173.08202	0.7
210.58586	0.4
263.11340	50.1
264.11725	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	263.1287
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
52.11869	1.9
57.03443	3.7
59.01376	2.7
66.91988	1.9
69.20773	1.9
71.01382	4.4
71.31438	3.6
74.25651	2.1
80.02610	1.9
83.05047	2.6
95.05026	3.0
95.65112	2.1
97.02938	10.5
97.74220	1.9
105.07116	2.9
107.04999	2.3
108.05802	6.7
109.02930	9.9
109.06585	3.8
111.04510	13.9
113.06077	10.8
119.08643	5.4
122.03731	13.4
123.08154	6.6
125.06094	21.1
136.05292	15.8
137.06076	6.0
138.06854	18.9
139.07649	33.6
148.05330	9.3
148.87949	2.2
149.06093	4.9
151.07648	64.7
151.11208	2.1
152.04781	5.2
152.08420	38.4
153.09215	9.6
159.11810	3.5
161.09712	7.4
163.07574	14.0
167.07115	3.7
175.11252	11.7
188.08366	2.3
189.09229	5.4
191.14415	3.4
201.12849	32.5
203.10759	24.4
204.11528	63.0
219.13889	100.0
220.14191	5.2
263.12863	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	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
54.82663	0.5
56.09607	0.5
59.01378	25.4
70.53076	1.4
70.53445	1.0
75.98383	0.6
81.03508	0.6
87.00806	0.6
93.03445	0.8
95.05030	0.7
97.06560	0.9
116.20488	0.6
119.04985	0.7
120.05785	0.6
131.70288	0.7
147.08156	0.7
148.08934	3.5
149.09673	2.0
151.11314	1.6
163.11299	6.2
165.12840	36.9
166.13213	1.5
189.12799	2.4
191.14389	12.9
192.14769	0.9
219.17525	13.5
220.00114	2.6
220.17751	1.2
227.14359	0.9
245.15410	5.3
263.08630	1.8
263.16492	100.0
264.16788	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	261.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48322	0.2
54.79242	0.2
56.17710	0.2
60.91911	0.2
66.52876	0.2
69.27570	0.6
69.27998	1.2
69.90789	0.2
76.43031	0.2
83.78244	0.2
86.29411	0.2
87.11122	0.2
89.03996	0.3
91.05518	0.4
93.44336	0.2
96.38422	0.2
106.04274	0.2
107.05030	1.5
109.02946	0.2
117.03477	0.5
119.61951	0.2
123.04490	0.2
133.02985	0.5
134.03741	4.4
135.04518	100.0
136.04834	2.6
161.02478	0.5
163.03952	0.2
173.06085	0.7
179.03487	75.6
180.03844	2.6
217.05214	0.4
261.00363	0.3
261.07639	2.3
261.22040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11297	0.7
53.56271	0.6
59.01382	1.2
60.99316	1.4
69.03452	18.0
69.48537	1.7
69.48946	4.3
78.65623	0.7
80.91685	1.8
95.05025	3.0
97.02949	100.0
98.03293	2.0
99.17360	0.7
105.03465	1.3
105.86152	0.8
108.02197	0.7
113.02448	1.2
121.02931	2.3
122.10948	0.7
123.04522	22.0
135.04512	0.7
138.05598	2.1
139.12436	0.9
149.02467	1.7
149.06085	2.7
152.80135	0.9
167.07138	4.4
217.04993	1.0
224.42497	0.8
242.94926	0.7
261.00595	0.7
261.03998	2.0
261.09769	1.1
261.22244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67229	2.5
58.46415	2.5
59.01380	100.0
61.52906	3.3
69.43194	5.3
69.43604	14.4
71.01379	3.8
73.45193	3.1
83.01398	4.1
85.02944	3.3
85.78937	2.6
87.61642	3.0
93.03423	4.8
113.02422	8.7
115.74390	2.7
137.02425	5.9
143.03477	5.9
149.08762	3.3
175.03987	3.1
217.32443	2.5
262.49277	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	259.0223
Annotation	beta-D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
59.01366	0.3
62.96405	0.2
69.99035	0.3
69.99440	0.6
71.01368	0.3
78.95900	100.0
82.12752	0.2
96.96957	85.9
101.02451	0.5
103.40257	0.2
112.90651	0.2
114.69529	0.2
136.94975	0.6
138.98012	4.9
150.98009	0.3
151.53625	0.2
161.86050	0.2
168.99060	2.6
178.96059	3.2
179.96130	0.3
186.70975	0.2
196.92586	3.2
197.92827	0.3
198.90558	12.0
199.00127	2.6
199.90669	0.6
213.89326	0.3
214.93649	6.8
215.93742	0.3
216.90582	17.4
217.90717	1.1
223.00142	0.4
234.91689	1.0
240.91560	13.8
241.01184	1.1
241.91821	0.7
258.92581	17.8
259.02216	13.7
259.92825	1.1
260.02750	0.3
276.89230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04768	2.3
51.30413	2.4
53.08192	2.6
58.42765	2.7
59.01374	34.0
69.03453	100.0
69.87679	5.2
69.88092	10.5
95.05016	22.1
96.78652	2.6
114.02967	2.7
165.05551	2.7
183.06601	9.0
211.96840	3.3
228.15947	2.8
248.33795	2.5
257.74695	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.6
69.03458	100.0
70.03802	3.5
70.87497	3.4
70.87822	4.9
70.98730	2.2
95.05025	20.0
125.28448	2.1
139.07664	2.5
165.05563	4.1
183.06708	5.6
185.65002	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	259.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54681	3.3
53.89470	3.0
59.01376	42.5
67.01913	4.6
69.03454	100.0
70.03794	3.7
95.05009	25.5
96.96952	5.5
129.20230	3.7
149.24881	3.7
155.93819	3.7
162.94633	3.4
165.05585	4.9
183.06567	5.4
191.05571	6.4
229.18175	4.1
245.61102	3.6
259.02289	4.2
259.11838	8.0
276.39288	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
69.03451	2.7
69.25204	3.6
69.25626	6.2
70.10516	1.0
72.99315	2.0
78.95910	2.0
96.96948	2.3
98.19854	2.4
109.02948	1.1
125.09696	1.3
127.11293	1.4
131.05043	1.4
135.04515	1.5
137.09702	2.2
151.11182	1.1
153.09207	1.3
153.12700	1.3
155.10768	27.1
159.04500	1.5
169.12315	8.7
171.10262	65.2
172.10596	2.2
176.03995	2.0
179.03490	1.3
187.03973	4.6
197.11816	100.0
198.12154	3.7
199.09706	7.5
213.11240	2.5
215.03525	2.3
217.10796	21.6
241.10844	2.6
259.02417	4.4
259.06161	2.0
259.09143	1.7
259.11813	12.7
259.14954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52539	2.7
52.11487	3.0
55.01868	8.9
62.92363	3.7
69.03446	6.6
71.01376	3.8
71.05013	6.8
71.11288	3.0
87.00886	3.7
96.96970	4.5
98.19817	5.0
99.00871	25.0
105.43337	2.9
111.39728	3.4
125.09735	5.9
149.14885	3.1
151.11192	3.9
152.11700	3.1
153.12839	6.7
161.09686	3.2
171.10313	3.3
179.10750	7.1
182.27109	2.9
185.92424	3.1
197.11816	100.0
198.12173	6.8
241.10806	4.1
259.02460	5.7
259.06061	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	261.0072
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.39574	0.7
54.69579	0.7
57.34195	0.6
61.66167	0.7
69.03440	0.9
69.25081	1.5
69.25486	5.0
72.99306	16.0
75.00862	2.6
75.09515	0.6
79.89362	0.6
79.95733	8.0
80.96513	1.2
81.03436	1.9
86.59069	0.7
93.02866	1.6
93.03453	25.2
96.96010	2.5
97.02945	2.4
98.19817	1.4
107.05010	2.2
108.16067	0.8
119.05025	42.2
120.05391	1.5
123.04495	0.9
134.03751	1.4
135.04523	29.7
137.06073	0.9
163.03999	36.1
164.04222	1.3
166.73178	0.8
169.47844	0.8
181.05052	86.5
182.05362	2.1
199.00690	14.6
214.83945	0.7
215.00214	8.0
219.12505	1.1
226.56920	0.6
261.00708	100.0
262.00937	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	254.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.9
59.31168	1.7
61.98828	100.0
69.03104	1.8
69.46697	9.1
69.47102	3.1
78.95940	2.2
91.57212	1.6
93.31062	1.8
108.30422	2.1
135.05794	2.0
237.40479	1.8
255.23184	4.5
255.30693	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	257.0816
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
65.00322	0.4
67.01865	0.5
69.03459	3.5
72.65054	0.3
79.14442	0.3
81.11354	0.3
85.02985	0.6
91.49986	0.3
93.03479	0.5
95.00812	0.3
95.01385	0.6
101.02419	0.4
101.21461	0.3
107.05001	0.5
109.02918	1.6
121.03016	0.3
121.06626	0.7
123.04533	0.5
132.02179	0.6
133.02960	2.2
134.03491	0.3
135.04485	2.5
146.03642	0.6
151.11237	0.5
151.18196	0.3
159.04462	1.8
159.08124	0.4
161.02440	6.3
162.02846	0.4
163.04050	0.4
171.04553	0.6
172.05284	17.0
173.05959	1.3
174.03177	0.4
175.03993	0.6
176.03992	0.4
179.03511	1.0
183.04507	6.4
184.04991	0.4
185.02420	0.6
185.06088	0.5
186.03256	0.5
186.06821	0.6
187.04225	2.5
187.07629	100.0
188.04523	0.3
188.07967	5.0
189.05608	1.2
191.05634	3.7
196.05226	0.8
197.06065	1.0
198.06847	1.1
199.03999	10.9
200.04753	7.1
201.05486	0.6
204.04253	3.0
211.03995	1.3
211.07625	3.8
212.08037	0.3
213.05817	0.6
213.09189	11.5
214.06342	3.2
214.09518	0.6
215.07111	18.7
216.07410	1.0
227.03479	11.0
228.04251	10.2
229.04703	1.0
229.08672	7.4
239.07115	0.8
242.05835	0.7
246.05295	1.1
256.23724	0.3
257.08167	94.7
258.08508	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	257.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56591	0.4
67.01889	0.6
69.03452	4.9
71.53358	0.4
85.02956	0.7
93.03448	1.1
95.01401	1.1
101.02440	0.8
107.05036	0.5
109.02956	1.7
114.17762	0.4
121.06585	1.0
123.04550	1.5
133.02983	3.8
135.04506	3.2
136.04800	0.5
151.11287	0.6
159.04460	2.2
160.01573	0.4
161.02432	9.2
170.02913	0.5
172.05284	16.6
173.05951	1.2
179.03539	2.2
181.08589	0.5
183.04520	5.8
184.04819	0.6
185.02457	0.6
186.03239	0.6
186.06892	0.5
187.04216	2.9
187.07631	100.0
188.07964	4.6
189.05553	1.1
191.05592	6.7
191.07178	0.6
192.05965	0.6
196.05319	0.9
197.06093	1.0
198.06894	0.8
199.03989	12.2
200.04797	5.6
201.05429	0.8
201.09146	0.5
204.04262	2.4
211.04063	1.8
211.07599	3.8
213.05612	1.5
213.09215	10.7
214.06345	3.2
214.09540	0.7
215.07111	16.0
216.07558	0.9
227.03464	13.2
228.04245	11.1
229.04916	0.8
229.08672	7.9
230.09029	0.6
232.03636	0.6
239.06990	0.6
239.09201	0.8
242.05867	0.9
246.05235	0.7
256.23685	0.6
257.08173	96.6
257.23834	0.8
258.08502	5.5
278.29523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44183	0.3
69.03450	1.4
69.33136	1.4
69.33566	1.7
93.03455	0.7
96.14448	0.4
102.85947	0.4
106.04189	0.4
113.05148	0.4
117.03455	0.5
132.02156	2.1
133.02957	0.7
135.04495	0.4
143.05000	1.4
145.02927	1.1
146.03729	21.1
147.04126	0.7
154.04224	0.4
157.02954	1.1
157.06535	0.6
158.03712	2.9
159.04474	0.4
160.01646	5.2
161.02385	1.8
167.04965	0.6
168.73514	0.4
171.04501	7.6
172.05289	20.0
173.02463	2.6
173.05690	1.6
174.03197	12.3
175.03751	0.8
178.02681	5.2
182.03712	0.6
183.04471	1.7
183.08165	0.6
184.05185	0.5
185.02435	11.4
185.06064	3.9
186.03210	7.4
187.03831	0.4
191.05521	0.7
195.04465	1.1
195.14041	0.5
196.05177	1.3
198.03201	0.7
198.06837	0.4
199.04001	8.9
199.07585	0.8
200.01114	5.2
200.04778	16.3
201.05235	1.2
201.09186	27.2
202.02748	0.7
202.09525	1.1
206.02216	1.7
211.04008	1.2
211.07597	1.9
213.02248	0.5
213.05559	14.0
213.09183	1.3
214.02699	1.8
214.06007	1.0
227.07118	1.0
228.04308	0.9
228.07901	2.9
229.08670	69.5
230.09018	4.0
231.10333	0.7
239.07091	1.2
257.08170	100.0
258.08463	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	257.0819
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
59.01375	1.0
65.03963	0.9
69.19952	6.2
69.20364	1.8
81.03447	2.2
83.05013	2.1
85.52067	0.8
86.42288	0.7
89.32113	0.7
93.03455	9.9
95.05042	1.2
99.08200	0.7
101.02489	0.8
106.04238	21.9
107.01336	0.9
107.02083	0.7
107.05029	44.7
108.02179	11.6
108.05347	1.1
109.02974	1.4
121.02944	12.8
121.03773	1.3
138.03220	3.1
151.04028	1.1
161.02512	1.1
165.43240	0.7
171.08128	2.5
184.76901	0.8
185.06030	1.1
185.15480	1.0
211.07568	1.3
213.09198	68.7
214.09607	3.5
242.05890	1.6
256.23621	2.4
257.08182	100.0
257.23880	2.7
258.08554	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16944	1.4
54.06360	1.5
54.77206	1.4
55.01870	9.3
57.03442	5.2
58.00600	3.2
59.01381	81.5
62.88082	1.6
67.01887	1.6
69.53096	1.4
70.53619	2.9
70.53989	3.0
71.01381	100.0
72.99284	2.6
73.02940	35.6
73.34718	1.5
74.66311	1.6
75.00893	3.9
83.01388	17.6
84.28721	1.5
85.02458	3.0
85.02949	46.4
87.00875	4.5
89.02439	27.8
95.01380	6.4
97.02943	3.3
98.20698	1.6
99.00880	15.4
101.02442	96.1
105.29181	1.5
109.43127	1.4
113.02452	37.5
119.03500	6.7
125.02456	2.5
128.85350	1.6
129.01883	2.8
135.04486	2.2
141.45096	1.7
142.52397	1.5
143.03461	3.9
159.02995	9.8
161.04553	37.6
162.70171	1.6
176.69200	1.5
178.40971	1.6
214.89082	1.6
251.05737	2.2
251.11278	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	253.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	20.8
59.01374	8.0
59.47236	0.4
64.28790	0.5
66.76917	0.4
68.07571	0.4
71.01385	6.1
73.02943	0.7
85.02951	1.4
87.00874	8.7
89.02444	5.6
92.40728	0.4
101.02420	1.0
102.98593	100.0
103.98917	0.9
113.02448	1.0
119.03489	0.6
120.99678	1.0
125.72961	0.4
131.03488	2.4
160.33888	0.4
175.06110	0.5
178.69618	0.4
219.05066	1.5
222.94540	0.4
253.03828	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.58294	2.1
61.98825	31.8
69.16144	25.0
69.16551	5.3
70.00013	2.3
78.95908	3.2
87.01608	2.5
89.02441	7.8
90.55533	2.5
96.95988	2.9
101.02424	6.8
102.98537	3.3
156.99911	3.6
198.71024	2.4
253.09081	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98811	3.5
70.99751	3.4
71.01394	1.8
101.02413	3.2
145.98749	1.8
193.07079	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.66008	0.4
53.00291	0.4
59.01368	1.5
65.55016	0.4
70.84888	0.7
70.85217	0.7
73.18064	0.5
82.03365	0.4
84.69608	0.4
85.07736	0.4
89.25392	0.4
99.99913	0.4
198.68846	0.4
253.21704	100.0
254.22046	7.2
270.58148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53474	1.4
59.01382	2.1
61.98825	100.0
62.82266	1.5
69.32898	1.3
71.03503	3.2
78.95906	1.8
87.26487	1.4
141.67595	1.3
215.20470	1.3
220.13103	1.5
246.27333	1.4
255.23212	2.5
255.27206	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01373	3.8
61.98813	0.6
64.68032	0.5
71.01373	0.8
73.02919	0.5
89.16190	0.4
98.20766	1.0
149.13412	0.7
161.02435	1.1
177.01889	0.6
189.12738	0.7
205.01396	0.9
205.12419	0.5
205.15968	13.1
205.19597	1.9
206.16313	0.6
231.17439	1.4
247.16960	0.5
249.03963	1.0
249.14911	20.6
249.18552	100.0
250.14490	17.0
250.18781	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02414	0.7
65.00320	0.8
68.99793	0.3
71.53674	0.3
75.02396	2.4
79.01892	0.8
91.01895	14.8
92.02258	0.5
93.03458	1.0
96.37685	0.3
100.84485	0.3
103.01904	0.6
109.43339	0.2
119.01389	15.3
120.01759	0.5
121.02951	1.3
131.01379	0.7
133.08879	0.2
147.00885	36.3
148.01254	1.4
157.73686	0.2
160.05296	0.5
163.00069	0.3
165.01959	0.6
175.00363	17.0
176.00706	0.6
186.05876	0.3
190.99869	0.9
197.11853	0.4
202.99854	65.6
203.10716	1.4
204.00174	2.8
218.99342	0.3
246.98820	100.0
247.99167	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	247.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.00583	0.6
59.01372	0.4
60.56168	0.3
67.92953	0.3
69.52801	1.8
71.01364	0.6
73.02947	4.5
93.22694	0.3
96.96000	0.4
98.19855	0.3
125.09737	1.6
127.11284	4.3
137.09621	0.4
143.10750	0.8
155.10777	2.1
157.12314	1.1
165.09195	0.8
167.14427	0.7
171.10271	5.7
171.13873	0.6
181.12350	1.1
184.05190	0.4
197.11781	0.7
199.09677	0.5
199.13399	2.3
201.11307	10.4
202.99902	0.4
203.03641	0.4
209.11807	1.1
211.13394	2.4
215.12856	5.7
227.12865	3.6
229.14439	9.6
230.14845	0.5
246.98930	1.0
247.15497	100.0
248.15826	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	247.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36480	0.2
51.66172	0.1
52.91853	0.2
72.99304	0.3
98.19847	0.4
184.00195	0.8
203.03632	0.2
205.15974	0.4
220.17001	0.3
229.86845	0.2
231.13898	0.4
247.17012	100.0
248.07997	0.6
248.17351	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	249.0766
Annotation	CHEBI:67767
Peak:m/z	Relative Intensity
53.84574	0.4
57.90770	0.4
59.01369	1.0
59.48011	0.4
64.95519	0.4
93.03474	0.5
95.01398	0.6
108.02180	1.1
109.02976	2.5
110.00114	0.5
121.02937	1.0
123.00894	0.6
124.01668	6.2
134.03737	1.9
136.01648	4.3
137.02426	3.2
138.03239	6.0
139.00365	1.4
145.02983	0.4
147.04538	0.5
149.02443	10.8
149.09738	0.8
150.03229	18.2
151.03564	0.7
152.01134	5.7
158.03705	1.1
161.02419	1.4
161.09721	0.8
162.03218	5.5
163.03923	0.6
163.59294	0.4
164.04761	0.7
164.98181	0.5
165.99103	0.5
166.99847	1.6
172.05307	2.3
173.06119	2.2
175.03992	9.1
176.04791	4.0
177.01874	0.7
177.05409	0.4
177.09209	5.7
180.00655	1.0
182.99294	0.7
187.07622	2.0
189.05519	1.2
190.06349	8.0
194.99347	9.2
205.01341	0.5
205.08691	35.8
206.09026	2.1
239.56770	0.5
248.97400	2.2
249.07675	100.0
249.14642	2.8
250.08003	5.2
250.14426	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	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03432	2.1
59.01163	1.0
59.01387	11.0
61.72284	1.2
66.46738	1.1
69.03453	43.3
70.03140	2.4
70.03528	1.8
71.01368	2.0
83.05026	3.5
91.05592	1.1
91.11853	1.0
93.03461	1.6
95.05027	5.2
95.42819	1.2
97.06584	2.0
102.85262	1.0
106.04194	1.5
107.08709	1.3
111.02252	1.2
111.08154	1.7
119.05045	1.8
121.03005	1.4
121.06593	1.7
133.10265	2.0
134.07347	2.3
149.09724	1.8
149.13347	3.6
151.11255	2.0
161.02399	1.4
161.13361	2.6
167.10709	2.9
179.10748	1.6
187.14902	4.7
193.12332	7.5
203.14340	2.0
205.12344	11.6
205.15979	12.3
218.27625	1.2
221.15433	18.9
231.13885	34.4
232.14163	1.7
249.00430	1.5
249.03877	1.7
249.07858	2.2
249.10962	2.7
249.14948	100.0
250.14619	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01860	0.8
57.03444	0.8
59.01366	0.9
67.94608	0.6
69.15125	0.9
69.29270	5.0
71.05020	4.4
83.05012	1.4
97.02951	6.3
97.06593	2.5
98.19976	1.6
99.00881	25.8
105.92120	0.7
109.06563	1.7
109.80641	0.9
110.03716	2.3
123.08165	1.0
125.09714	8.3
127.11266	1.3
135.08151	0.8
136.05280	1.8
142.02693	2.0
153.12804	1.2
155.14450	1.7
161.09676	0.8
163.11281	9.5
179.10895	0.6
181.12334	30.0
182.12675	1.0
197.11873	1.6
199.13382	22.4
199.66031	0.7
200.13710	1.1
207.10246	53.2
208.10570	3.1
225.11307	100.0
226.11641	4.4
243.12352	87.0
244.12663	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01373	8.2
65.00349	1.1
71.01379	1.5
71.05015	2.7
71.54596	1.4
72.65808	1.2
97.02926	4.5
99.00874	13.6
110.02455	1.6
125.09721	5.5
127.11294	3.5
139.11273	4.1
142.02629	1.4
161.02234	1.2
163.11264	8.7
173.55467	1.2
181.12338	25.8
182.12630	1.8
183.10246	6.5
197.11842	2.4
199.13390	51.0
200.13684	3.0
201.11217	2.2
205.52621	1.2
207.10255	33.9
208.10519	1.7
214.99829	3.0
225.11314	72.4
226.11749	4.0
243.02937	5.2
243.12360	100.0
244.12755	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.40706	0.4
55.01875	0.6
57.03450	0.8
59.01371	0.7
69.31297	4.2
71.05020	2.7
83.05031	0.8
97.02927	2.4
97.06591	0.6
98.19862	0.9
99.00878	14.6
109.06608	1.0
110.02457	0.8
110.03742	0.9
123.08209	0.7
125.09750	5.2
136.05263	0.7
142.02736	1.3
153.12839	0.9
155.14432	1.7
163.11292	5.3
181.12329	16.5
182.12674	0.7
197.11765	1.1
199.03923	0.5
199.11499	1.0
199.13380	20.0
200.13832	0.6
207.10245	28.7
208.10634	1.5
214.99802	1.2
216.60083	0.5
225.11308	61.1
226.11662	2.1
228.06711	0.6
229.07335	1.4
242.99326	0.7
243.12349	100.0
244.09776	3.8
244.12720	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	245.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	38.3
67.01875	1.6
69.03454	100.0
71.01375	3.2
71.52167	2.2
75.39676	1.4
78.95897	11.1
79.95734	1.8
80.96510	2.4
92.45734	1.4
93.03453	2.6
94.98080	3.4
95.05029	23.9
96.96009	10.8
96.96956	2.7
99.00895	1.7
111.59065	1.2
113.02428	1.9
121.06561	1.5
123.04494	3.7
125.02457	10.4
139.04022	2.4
139.07628	4.0
146.03627	1.7
152.99539	2.1
165.05569	4.7
169.01440	13.1
176.33862	1.4
181.33559	1.5
183.06659	7.9
205.00903	3.0
227.02232	1.6
241.00246	16.6
245.01079	1.8
245.03534	6.9
245.08289	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	245.1756
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
59.01368	0.7
61.98815	1.4
71.53310	0.5
71.79501	0.4
109.02932	0.5
113.75541	0.4
153.12849	0.9
173.02444	0.6
181.12329	6.0
201.05647	0.8
213.14919	2.1
217.01463	0.6
245.00832	1.5
245.04446	2.1
245.17548	100.0
246.17924	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	246.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03794	0.2
59.01379	0.4
59.56180	0.3
63.02407	0.7
65.00332	0.8
68.01614	0.2
71.01421	0.3
71.54277	0.3
72.99314	0.6
75.02397	2.5
79.01894	0.7
91.01891	13.8
93.03468	1.4
95.01392	0.6
103.01910	0.4
107.01390	0.5
111.86936	0.2
119.01389	12.4
121.02933	1.7
123.04704	0.3
131.01367	0.8
137.02348	0.3
147.00879	34.6
148.01210	0.8
165.01917	0.9
173.04533	0.5
174.03198	0.3
174.06563	0.3
175.00357	17.5
175.03932	0.5
176.00722	1.0
190.99796	1.7
197.11861	0.8
202.99847	66.1
203.10774	0.7
203.14484	0.3
204.00174	3.4
218.99368	0.4
219.02777	0.3
246.98813	100.0
247.17195	0.4
247.99146	5.1
250.87030	0.3
256.67352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
52.25510	0.6
57.03452	1.4
59.01372	1.8
69.03454	3.1
71.05007	4.0
71.54115	0.7
89.79105	0.6
105.12026	0.7
107.01736	0.6
108.02176	0.7
123.08158	1.2
125.09729	1.3
129.16206	0.6
151.11256	0.8
153.12848	3.4
161.09669	0.7
179.10786	5.4
197.11821	100.0
198.06731	0.9
198.12178	4.7
222.31226	0.6
223.09708	6.0
226.06398	3.1
241.00154	0.9
241.05127	2.2
241.08725	2.7
241.10803	45.1
241.21611	1.3
242.11121	2.4
260.83417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01870	0.7
57.03435	1.0
60.95839	0.4
68.83318	0.5
69.03449	2.3
70.65897	1.3
71.05029	4.3
83.83749	0.5
97.06572	1.0
123.08150	1.3
125.09750	2.3
136.83430	0.6
148.03595	0.5
151.11310	1.1
153.12880	2.8
161.09727	1.3
178.92848	0.5
179.10753	5.8
180.11121	0.6
197.11816	100.0
198.12140	4.9
223.09749	2.1
232.32492	0.5
241.10805	64.2
242.11011	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	241.1444
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01877	2.1
55.32444	0.9
57.03434	2.1
61.98833	1.5
71.05004	1.5
71.53323	1.1
81.03448	6.5
83.01385	26.7
83.05025	4.6
84.02169	6.2
95.05031	2.4
97.02938	1.3
97.06599	3.9
111.08126	1.7
111.30577	1.0
115.88335	0.9
120.46259	0.9
123.08125	2.0
125.09715	24.7
126.09972	0.9
127.07568	1.4
135.08167	4.6
147.11760	2.0
147.55403	0.9
148.49255	0.9
163.11288	7.9
165.12881	5.1
181.12317	2.6
191.10770	31.0
192.11224	2.5
197.11792	2.7
197.15498	2.9
209.11819	45.8
209.13803	2.4
210.12122	2.3
223.13345	10.8
224.13664	1.2
226.06367	6.2
226.12090	30.1
227.12376	1.4
241.08748	3.7
241.14433	100.0
242.14833	5.6
242.17682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01862	2.2
55.22463	1.0
59.01376	1.8
60.31585	1.0
61.98810	3.3
66.86903	1.1
81.03461	7.1
83.01384	25.0
83.05012	5.9
84.02159	6.9
93.03467	1.3
95.05033	1.7
97.02933	1.3
97.06584	4.2
98.19907	2.2
110.73478	1.1
111.08136	1.5
123.08160	1.6
125.09726	29.6
126.16972	1.2
135.08173	4.1
141.27859	1.0
147.11745	3.7
153.24416	1.2
163.11270	9.6
165.12820	7.0
173.09650	1.8
179.10796	1.7
181.12360	3.1
191.10780	33.3
192.11113	1.4
197.11806	3.0
209.11812	57.3
210.12169	2.0
223.13362	15.2
226.06400	8.2
226.12080	26.7
229.31741	1.3
241.05051	2.7
241.09087	5.8
241.14436	100.0
242.14793	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
61.98828	2.9
67.01891	1.9
69.03455	44.8
70.03778	1.3
70.54283	2.0
71.01354	1.5
79.01890	26.4
81.03458	4.1
85.02973	4.9
87.43023	0.9
93.03440	1.9
95.00822	1.4
95.01389	14.9
97.02944	24.2
99.00914	1.2
107.01393	34.1
107.04982	1.5
108.02172	100.0
109.02963	53.0
121.02955	30.1
123.00887	16.8
124.01656	3.1
125.02442	33.2
134.41605	1.0
135.00880	78.9
136.01221	2.1
137.02443	56.1
138.02791	2.1
141.07050	1.1
151.00375	3.3
152.01143	95.7
153.01564	3.4
169.06593	8.1
170.96417	1.0
197.06065	59.1
198.06404	3.1
200.05598	1.2
213.05582	13.8
215.07094	8.7
243.02895	2.3
243.06613	54.8
244.06985	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67533	0.2
65.13767	0.3
69.73620	1.4
77.77612	0.3
97.71413	0.3
107.19560	0.3
134.03746	0.7
135.04532	0.7
136.05273	0.3
148.05299	9.9
149.06044	0.3
149.09644	1.4
157.22169	0.3
159.08069	0.4
162.06892	0.4
171.24162	0.3
175.07671	0.3
176.08446	1.2
177.09196	47.5
178.09544	2.4
180.07899	0.4
190.10001	2.0
191.10722	0.7
192.11546	33.9
193.11946	1.8
201.09151	0.5
203.07156	0.9
206.09689	0.2
217.08720	3.5
218.09459	8.9
219.09918	0.3
236.10518	100.0
237.10896	5.8
237.14632	0.5
242.75851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31301	1.5
55.01875	13.3
57.03442	5.7
57.34110	1.4
58.00589	5.0
59.01377	83.4
61.20358	1.6
69.03458	2.6
69.60036	9.9
71.01378	93.4
72.01732	1.9
72.99311	3.1
73.02943	36.4
75.00871	4.4
78.95896	10.6
83.01382	18.7
85.02947	52.9
87.00861	6.1
89.02437	15.7
95.01396	7.3
97.02950	2.0
99.00873	13.0
101.02440	100.0
111.00864	2.0
113.01713	3.0
113.02446	35.9
119.03490	3.1
125.02525	1.8
129.01974	2.0
143.03473	4.0
159.02942	10.2
161.04552	36.4
187.54759	1.5
191.72995	1.5
205.31671	1.6
237.04115	1.9
237.09799	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	237.1495
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
57.03440	1.1
59.01379	19.5
71.01384	0.6
71.53501	0.6
80.02670	2.5
81.03470	5.8
87.04526	0.7
95.05057	0.4
101.02428	0.8
101.24055	0.4
108.02169	0.9
121.02964	0.8
122.03578	0.4
123.08165	7.5
124.08445	0.4
125.09723	11.1
126.10055	0.7
132.10295	0.4
135.08138	0.8
137.09737	4.1
149.09715	4.1
151.07648	0.4
163.11342	2.1
165.12839	12.4
165.72678	0.4
166.13229	0.5
169.08723	2.6
177.15419	0.4
179.10757	1.9
191.14413	1.5
193.15979	3.7
209.11833	1.1
219.10185	1.0
219.13901	1.3
237.04053	1.4
237.11118	3.6
237.14955	100.0
238.15312	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	67.4
67.00166	2.2
69.03452	28.2
69.20849	2.3
71.01373	3.7
76.60993	1.9
80.56290	2.0
93.07122	2.6
97.06583	67.1
98.20760	4.5
121.10257	12.2
123.08164	84.3
138.29405	2.3
139.07677	10.9
139.88440	1.9
147.11784	20.3
155.18698	2.3
167.07156	11.5
175.14879	13.5
179.10719	5.2
193.15933	4.7
201.12794	2.2
219.13889	5.4
223.94302	2.1
230.57961	2.2
237.03972	4.4
237.14952	100.0
238.15359	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03158	0.9
57.03448	17.8
59.01376	4.1
60.43720	0.4
69.62901	1.7
71.01384	0.5
83.05019	3.4
85.06586	0.6
86.76454	0.4
87.81513	0.4
93.03481	0.5
95.07163	0.4
97.06567	0.7
101.02422	0.5
109.06579	1.8
123.08112	0.4
133.06717	0.4
135.11862	0.5
139.11285	0.5
141.09248	0.5
149.09694	0.9
149.70241	0.4
167.10797	3.1
177.12860	0.9
179.10803	3.2
185.31483	0.4
193.16022	2.6
195.13869	5.0
219.13846	1.0
237.14944	100.0
238.15254	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03447	20.3
59.01377	8.1
69.03452	0.7
71.01374	2.2
71.52663	0.6
73.02943	0.7
80.87868	0.5
83.05036	3.3
85.02953	0.8
89.02395	0.5
91.31825	0.5
94.02933	0.5
96.96006	1.4
101.02441	1.8
109.02972	0.6
109.06573	1.8
113.02488	0.7
121.02950	0.8
135.11829	0.7
139.11263	1.4
148.63086	0.5
149.09673	0.8
163.03851	0.6
165.05562	0.7
167.10800	3.8
177.12894	0.8
179.10777	3.8
193.15947	3.1
195.13913	4.9
196.14287	0.5
200.18427	0.5
219.13892	0.7
237.04042	1.2
237.11147	2.5
237.14949	100.0
238.15305	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	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95960	0.2
57.03434	0.4
59.01373	2.9
59.57004	0.2
59.96702	0.5
70.51268	0.2
70.51599	0.7
74.99068	12.6
75.96204	0.4
75.98993	0.3
85.02943	0.8
87.00885	0.8
91.02202	9.3
91.95726	0.2
93.00121	2.6
95.01390	0.3
97.02945	0.3
116.54630	0.2
125.02416	0.3
143.47922	0.2
149.00949	5.5
150.00827	0.3
150.98833	0.3
161.04524	0.8
179.05574	3.2
195.13884	0.5
206.99649	3.1
207.10107	0.3
207.99696	0.4
221.11981	0.3
223.02808	100.0
224.02855	6.9
225.00845	0.2
226.62547	0.3
239.05891	0.7
239.12904	1.9
241.03967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0923
Annotation	CMPF
Peak:m/z	Relative Intensity
53.36630	0.9
57.03449	1.2
59.01379	100.0
65.63857	1.0
65.76382	0.9
69.03457	1.1
71.01393	0.9
71.54173	1.3
73.72208	0.9
81.03476	1.5
85.02941	1.7
87.00860	3.6
93.03519	0.9
95.05028	3.0
96.95978	0.9
97.02948	1.8
97.06576	3.3
99.00841	1.0
107.75015	0.9
109.06570	2.5
119.86772	1.0
129.02055	1.0
135.08133	3.0
141.05583	8.8
151.11244	2.6
161.04564	3.4
173.39423	0.8
177.09160	4.0
179.05612	15.7
179.07033	1.7
186.25517	1.0
195.10272	26.2
196.10356	1.0
216.14766	0.8
219.85817	0.9
221.08244	1.7
223.02818	1.4
238.80873	0.9
239.07158	0.9
239.09244	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.45188	0.4
56.14382	0.3
57.03446	1.1
61.60739	0.4
64.20536	0.3
69.34126	1.3
69.34544	1.8
70.51653	0.3
71.05005	0.5
81.03437	0.4
83.05019	0.6
84.02142	0.5
85.02936	0.8
95.72606	0.3
98.19950	0.9
121.06602	1.1
125.09703	2.9
127.11294	4.2
153.09204	0.6
155.14404	0.6
162.42480	0.3
165.12808	1.3
167.14349	2.2
171.10249	4.3
183.13864	1.5
193.12314	0.8
209.11809	3.1
211.13379	11.5
211.15428	0.6
212.13777	0.7
224.08974	0.4
229.14426	100.0
230.14793	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.90033	0.4
56.04951	0.4
56.67351	0.5
57.03440	1.6
59.01394	0.4
69.93722	2.3
78.41351	0.4
79.91963	0.5
83.05019	0.8
84.02144	0.4
85.02954	0.9
106.18862	0.5
106.39433	0.5
119.21384	0.4
125.09731	3.1
127.11288	5.4
155.14395	1.8
165.12753	0.6
167.10774	1.6
167.14395	1.6
171.10277	4.8
172.38879	0.6
183.13902	1.2
185.06099	0.8
185.11856	0.7
197.11836	0.6
203.34517	0.4
209.11766	3.1
211.13422	7.9
229.01392	1.0
229.05127	1.2
229.14432	100.0
230.14801	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01373	3.0
60.99234	0.2
68.56908	0.3
69.03470	0.3
71.05017	0.9
71.53698	0.5
75.79625	0.2
80.02646	0.2
83.04980	0.3
84.02149	0.8
85.02957	1.0
97.06607	0.4
121.02943	0.4
121.06610	1.5
123.08138	0.6
125.09706	3.8
127.11271	5.3
152.06918	0.3
153.12851	0.4
155.14412	2.2
165.12833	1.2
167.14413	2.0
171.10280	0.4
183.13852	0.9
185.05939	0.3
185.15314	0.3
209.11812	2.3
211.13385	3.8
211.48151	0.2
229.14432	100.0
230.14789	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.57264	0.4
52.72920	0.4
57.03441	1.1
59.01373	0.6
65.66766	0.4
69.43163	2.8
83.05021	1.0
85.02930	0.9
93.39772	0.4
125.09753	2.5
127.11298	5.5
150.07416	0.4
153.09264	0.5
153.12834	0.6
155.10771	4.4
155.14430	1.3
167.14394	1.5
171.10268	3.9
181.12341	2.9
183.10321	0.7
183.13928	1.5
193.12427	2.3
197.11658	0.7
198.51628	0.4
199.13393	8.1
201.09412	0.5
201.11311	1.8
209.11818	2.6
211.13383	12.6
212.13699	0.8
229.08713	2.0
229.14432	100.0
230.14774	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	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
52.63837	0.5
59.01379	32.4
69.31698	3.8
69.32109	0.9
73.15379	0.6
91.27171	0.6
98.19933	1.2
115.75239	0.5
125.09737	0.9
127.11294	1.6
151.11275	3.8
152.03532	7.3
169.12338	29.5
170.12697	1.1
171.10266	100.0
172.10588	3.4
187.07619	0.8
188.76607	0.6
213.11304	8.1
231.03038	0.7
231.10378	1.7
231.12354	42.9
232.12657	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	231.1601
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03443	1.6
59.56515	0.2
79.99459	0.3
80.99814	0.3
83.05007	0.3
87.04483	0.4
97.64110	0.3
98.19912	0.5
114.82270	0.3
118.01456	0.2
125.09727	0.3
127.11309	2.3
155.14418	0.6
167.14478	0.3
171.10269	4.1
183.13951	0.5
185.15393	0.4
187.03983	0.3
187.12398	0.4
195.13879	0.6
213.09175	0.3
213.14943	3.9
223.43533	0.3
229.14400	3.5
231.15993	100.0
232.16306	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	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.1
59.01376	88.7
65.21916	4.4
67.01894	8.7
69.24385	16.2
69.24792	24.3
71.01379	38.8
73.02943	7.5
83.01379	7.7
85.02934	9.4
87.00864	12.8
93.03447	23.8
98.19974	11.6
99.00868	16.3
104.03547	7.6
111.00854	16.9
111.04517	8.2
122.70419	4.4
129.01918	15.7
153.01910	7.8
158.48764	4.9
173.04558	21.1
233.04718	5.2
233.06544	26.5
233.10258	6.7
233.15425	100.0
234.09850	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
59.96731	0.5
60.97508	0.6
67.01856	0.3
67.60097	0.3
70.39024	0.3
70.39370	0.7
74.99068	10.5
75.96219	0.5
75.99056	0.3
81.82337	0.3
91.02218	1.0
93.00130	1.5
93.03458	1.8
101.13069	0.3
118.96226	2.1
134.99402	7.8
136.97350	1.8
141.07396	0.5
143.05328	1.2
149.00954	73.6
150.00908	2.6
150.98869	0.8
159.08444	2.2
161.06384	4.4
173.04504	0.9
201.03999	0.4
215.05659	1.5
217.07193	100.0
218.07321	6.0
233.10324	93.7
234.10510	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	235.1338
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
50.78765	0.7
59.01376	100.0
60.01705	1.1
71.01376	1.7
85.02958	1.6
88.59381	0.6
95.05011	0.9
109.06626	0.9
109.37137	0.7
123.08106	0.7
147.08130	1.8
149.09674	1.4
155.59079	0.8
163.11281	36.8
164.11653	1.5
175.11197	1.9
191.07146	1.8
191.14397	17.9
192.14899	0.8
217.12451	3.7
235.02409	1.1
235.06131	1.5
235.13374	38.3
236.13690	2.4
240.82396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.79415	0.5
57.03446	1.0
58.00597	8.0
59.01375	1.0
61.69548	0.5
69.03454	0.8
73.02909	0.7
75.67323	0.5
83.05000	1.0
84.02179	1.4
100.75541	0.5
103.41262	0.5
111.08152	0.7
149.68214	0.5
151.11311	1.6
153.12840	1.9
155.14439	2.8
163.11267	1.8
165.12843	4.3
169.12341	1.7
171.12549	0.8
171.13898	3.6
175.11479	0.5
181.12341	3.6
183.13904	6.2
191.10791	1.2
195.16908	0.5
197.11737	0.7
199.13394	61.8
200.13763	2.5
209.09892	1.1
209.11826	15.5
210.12117	0.6
221.46585	0.5
227.12880	100.0
227.20137	1.7
228.13226	5.1
245.90244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.94994	0.5
57.03443	1.3
58.00591	7.0
59.01377	0.9
69.88467	0.5
69.95260	2.2
70.78979	0.5
71.01385	0.9
71.05012	0.9
73.02935	1.4
79.55728	0.6
83.05007	1.1
83.59943	0.5
84.02167	2.4
87.30334	0.5
95.04993	0.6
95.64631	0.6
99.85042	0.5
100.43036	0.5
125.09750	0.7
135.08237	0.5
137.02437	0.7
139.28853	0.5
146.69876	0.6
151.11287	0.7
153.12808	1.9
155.14386	2.6
163.11307	1.3
165.12833	4.8
169.12306	2.1
171.13863	3.2
181.12335	4.7
183.10283	0.6
183.13904	9.5
184.14256	0.7
191.10741	1.8
197.15472	7.1
199.13388	64.0
200.13696	2.9
209.11818	23.3
209.15343	5.8
210.12187	1.7
227.12885	100.0
227.16373	31.2
227.19847	3.0
228.13249	4.8
228.16914	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	227.1652
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
58.00574	0.5
61.98825	0.7
62.23188	0.5
67.57474	0.4
83.05028	0.7
84.02160	1.3
95.01418	0.6
98.20686	0.9
100.95415	0.5
125.09660	0.6
129.21654	0.4
139.11275	0.5
143.33096	0.4
150.52782	0.5
163.11232	1.1
165.12854	3.0
183.13892	11.2
184.14177	0.6
185.11861	1.0
197.13649	0.8
197.15457	14.3
199.13393	5.2
200.13885	0.5
209.11833	13.1
209.15414	14.1
210.12196	0.9
211.80038	0.5
225.14996	1.0
226.98282	0.7
227.03517	1.0
227.13161	12.9
227.16505	100.0
227.20178	4.9
228.13278	0.8
228.16800	5.9
229.00972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2016
Annotation	Myristic acid
Peak:m/z	Relative Intensity
54.38016	0.2
60.80248	0.2
62.41097	0.2
67.01897	0.3
99.92558	0.3
148.91978	0.2
183.13828	0.4
227.20157	100.0
228.20483	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	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03437	3.8
59.01368	1.1
68.62991	0.5
69.03453	2.0
72.99297	0.6
89.28619	0.7
95.05016	1.3
97.06577	0.7
106.92151	0.5
121.02958	1.2
121.06603	3.8
125.09724	3.9
127.11282	1.4
132.78934	0.5
139.11282	1.2
141.12842	4.4
146.03757	0.5
148.64084	0.5
149.09691	0.6
153.09158	0.9
154.27316	0.5
155.10741	3.1
165.05629	0.7
167.10762	5.2
171.10234	0.6
172.63300	0.6
181.12335	1.3
183.00874	0.5
185.11812	100.0
186.12152	2.9
200.04437	0.6
201.11345	2.0
211.13371	1.7
229.01508	0.7
229.04973	1.5
229.08662	6.0
229.10800	15.4
229.14349	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	229.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.4
58.00573	0.7
63.78104	0.6
65.55265	0.6
69.03458	1.9
70.87698	0.6
71.53342	0.9
72.99311	0.8
75.09715	0.5
79.51173	0.6
93.03467	1.3
95.05032	2.4
110.94404	0.7
120.42516	0.7
121.06548	3.1
125.09699	4.0
127.11275	2.3
139.07584	0.7
139.11298	1.9
141.12866	4.7
153.09196	1.5
155.10760	2.6
160.27730	0.7
167.10799	4.8
172.05389	1.1
174.03168	0.8
181.12373	0.9
185.02415	0.9
185.11821	100.0
186.12155	4.3
200.04785	0.9
201.09189	1.2
201.11298	1.8
208.31313	0.7
211.13451	1.9
229.01450	1.8
229.05020	1.5
229.08652	6.5
229.10818	13.1
229.14380	11.3
230.08771	0.7
230.11201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1495
Annotation	Blumenol B
Peak:m/z	Relative Intensity
59.01377	6.9
61.98822	1.0
70.63081	1.6
70.63428	0.9
71.01372	1.2
71.05064	0.9
83.05009	1.5
93.03446	1.8
95.05035	1.4
97.02921	1.0
109.06603	1.4
110.03729	1.5
114.31480	0.7
116.26545	0.7
126.90466	0.8
133.65976	0.7
135.11830	1.0
137.02405	1.1
138.06203	0.7
163.11234	2.7
163.14926	2.4
181.12303	2.1
181.15950	0.8
189.12880	1.4
195.12073	1.2
195.13893	24.3
197.15416	2.9
205.12256	1.2
207.10558	6.9
207.13882	65.1
208.14261	3.4
225.11604	14.8
225.14935	100.0
226.15286	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	227.0197
Annotation	Isochorismate
Peak:m/z	Relative Intensity
53.00296	1.2
59.01379	3.4
65.00330	0.6
66.67921	0.4
67.01897	1.3
68.99799	1.3
69.03452	6.9
69.67812	2.2
80.99798	1.5
81.03432	0.6
83.01385	2.9
85.02953	0.9
87.00838	0.4
92.99829	0.7
93.03440	3.3
95.01411	0.5
95.05018	1.5
96.99310	26.0
98.19968	0.5
99.00888	1.2
102.40097	0.4
108.02110	0.5
109.02917	0.7
111.08134	0.4
112.01637	1.7
112.98798	1.2
113.02433	0.6
120.26505	0.4
121.02897	0.4
123.00864	1.9
124.98814	0.6
139.00349	0.9
139.07643	0.6
140.01151	39.2
140.98277	1.1
141.01483	0.9
145.35217	0.4
149.24020	0.4
151.00377	2.5
155.03566	0.4
156.00658	2.3
165.12840	0.6
168.00575	0.8
172.00157	4.0
174.54874	0.5
183.13857	2.6
184.00136	0.9
193.19035	0.4
199.02505	1.2
209.06006	0.7
209.11841	0.7
227.01956	100.0
227.06938	2.0
227.12930	1.4
227.20137	2.0
228.02324	2.8
228.05289	1.4
237.05511	1.2
239.07098	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	227.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.6
59.09961	0.8
67.01870	1.0
68.10355	0.7
69.03454	100.0
69.52336	5.4
70.03773	1.8
95.05014	21.6
101.10841	0.7
110.37422	0.8
113.02499	2.0
113.43407	0.8
121.06535	1.0
123.04485	2.1
123.05309	1.0
137.02428	1.5
139.03963	1.1
139.07645	3.8
148.35719	1.0
151.27025	0.8
155.48824	0.7
183.13844	1.8
200.83362	0.8
227.07191	3.8
227.09123	1.4
227.12810	1.2
227.20151	1.8
239.07059	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	227.0712
Annotation	2-Hydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
65.03972	0.7
71.53731	0.5
77.03990	0.5
84.84645	0.5
87.81467	0.5
91.01899	2.2
92.02704	0.9
93.03458	100.0
94.03793	2.9
95.01409	2.9
105.03432	1.1
107.05034	11.7
108.02173	3.8
108.05405	0.6
121.02956	76.6
122.03294	2.1
128.67897	0.5
136.01596	2.7
137.02443	2.5
139.11252	0.6
149.02425	0.9
151.03998	0.6
165.12886	1.0
183.08069	0.6
183.13918	4.0
190.16150	0.5
197.06067	19.8
198.06425	0.6
199.07654	8.2
199.13399	0.9
209.06099	1.6
209.11818	4.1
213.72388	0.5
225.05537	0.7
227.07132	48.5
227.12880	3.6
227.20030	3.0
228.07454	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.08957	0.3
59.01377	0.3
65.58170	0.3
69.69724	0.3
71.01376	0.3
71.05012	0.6
80.02685	2.1
81.03455	2.4
83.05027	7.4
84.02171	2.9
95.05018	0.9
97.06586	0.5
98.02491	0.3
109.06608	0.5
125.06039	0.6
135.08150	1.1
143.44531	0.3
147.11778	0.5
160.74609	0.3
163.11284	5.6
165.12843	3.5
181.12294	1.0
183.13869	0.8
190.65408	0.3
191.10806	1.7
199.13364	0.5
201.02522	0.3
209.11812	100.0
210.12155	4.7
227.03383	0.4
227.12881	3.1
227.20151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03458	0.3
61.02479	0.2
62.53679	0.2
69.03474	0.2
69.17453	2.0
71.25017	0.2
98.20613	0.4
111.08186	1.0
165.12837	19.9
166.13170	0.8
181.12531	0.3
183.13890	100.0
184.14232	4.7
191.10738	0.3
209.11806	3.5
227.03220	0.2
227.12872	16.5
227.20193	0.4
228.13148	0.7
239.76886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.5
61.98842	0.6
69.03452	2.4
71.05025	0.7
71.10625	0.9
71.10947	0.9
81.03461	2.7
83.05022	2.9
84.02169	1.9
93.03458	2.3
95.05051	0.6
97.02949	11.7
99.00874	1.7
99.04548	0.8
106.04255	0.6
107.04994	0.6
109.02903	0.7
109.06586	24.4
110.03737	5.2
111.04542	0.8
120.25728	0.6
121.06596	1.8
123.04530	0.8
126.90499	0.9
135.08157	4.8
136.05325	2.9
137.02426	1.4
142.02692	6.5
145.10300	0.6
161.09697	1.7
163.11270	22.2
165.09137	0.6
179.10759	1.3
181.12325	16.6
181.48581	0.7
182.12709	1.1
189.09213	1.3
195.02945	1.0
197.11810	0.7
207.10242	88.8
208.10564	4.4
210.05299	0.7
224.90492	1.0
225.00403	1.4
225.11298	100.0
226.11598	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16822	0.5
59.01387	2.7
65.67551	0.5
69.03432	0.8
72.56381	0.5
81.03451	1.1
83.05033	1.0
92.26951	0.6
93.03459	1.7
95.05009	0.7
97.02952	11.3
98.20737	1.5
99.00871	3.9
107.05079	0.6
109.06590	9.1
110.03745	4.9
121.06562	1.2
123.04490	1.1
125.09715	1.1
135.08189	2.1
136.05275	2.3
137.02451	1.1
142.02701	5.1
145.10275	0.8
151.07724	0.6
161.09689	1.3
161.10977	0.5
163.11284	15.8
165.01877	0.9
179.10800	1.5
180.04222	0.5
181.12332	29.7
182.12654	1.7
189.09227	0.8
195.03058	0.6
195.06677	0.6
197.11816	1.7
207.10243	81.2
208.10626	3.7
208.12286	0.6
210.05296	0.8
214.76953	0.5
225.11305	100.0
226.11658	4.0
229.90985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Chloriolide
Peak:m/z	Relative Intensity
52.09906	0.8
55.01855	0.8
56.00597	0.8
57.03461	1.1
59.01377	7.2
69.03465	1.2
69.85124	4.0
71.05013	0.8
80.02661	1.9
81.03456	3.3
83.05021	4.2
84.02168	2.6
84.77895	0.9
93.03456	3.2
95.05064	1.5
97.02950	13.2
99.00862	0.9
106.04212	1.0
107.04992	1.1
109.06588	40.4
110.03714	5.6
121.06586	2.9
123.91132	0.8
125.09697	1.3
135.08141	4.2
136.05280	2.6
142.02719	5.2
145.10234	1.4
161.09726	2.4
163.11288	27.3
164.11653	1.8
181.12334	18.5
182.12727	1.4
197.11771	1.0
207.10248	100.0
208.10619	5.1
210.05344	0.9
225.11305	92.5
226.11638	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03436	0.4
57.78466	0.3
59.01375	1.0
61.98811	1.5
65.00276	0.5
69.03453	0.8
69.85556	1.8
72.62703	0.3
81.03468	0.4
83.05030	0.7
87.00800	0.3
93.03454	1.8
95.05004	0.4
97.02946	10.0
99.00886	0.7
100.52387	0.3
107.75639	0.3
109.02921	0.4
109.06566	1.7
110.03715	4.5
111.04560	0.7
118.62580	0.4
123.04489	0.9
124.42037	0.4
125.09737	0.4
126.90488	0.9
135.08145	1.4
136.05307	2.0
136.98849	0.3
137.02405	1.1
142.02695	5.0
151.07680	0.7
161.09702	1.2
163.09914	0.5
163.11285	8.4
164.11453	0.4
177.70413	0.4
179.10753	1.3
181.12349	10.8
182.12717	0.5
189.09126	0.7
193.12331	2.3
195.03011	0.7
206.99304	0.6
207.10249	68.2
208.10609	4.1
210.05325	0.7
224.90697	0.6
225.11310	100.0
225.14972	4.4
226.11667	5.3
226.15353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78537	2.3
54.38958	2.2
62.09938	2.3
64.88879	2.1
67.01891	6.0
69.03452	100.0
70.03797	2.3
71.53487	2.7
79.01888	25.4
80.52061	2.1
81.03467	6.5
83.05038	3.6
84.50195	2.1
93.03472	8.1
95.01365	3.5
95.05045	2.9
96.96024	2.6
97.02947	13.8
107.73512	2.2
111.04521	72.7
112.04786	2.3
121.02952	4.1
121.06564	4.4
123.00887	37.5
137.02420	5.8
143.47250	2.7
149.02454	8.6
149.06082	5.9
155.03500	87.3
156.03885	3.1
165.00166	3.9
165.01901	5.9
166.00937	3.1
180.04211	3.5
180.99623	2.7
181.08696	3.8
195.02950	2.5
195.06508	4.0
209.99947	5.9
210.05388	4.0
225.07571	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	223.1338
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
57.03423	1.4
59.01373	4.9
65.05022	0.7
66.53860	0.8
67.86942	0.9
69.03449	6.7
71.05006	2.4
71.15451	1.3
71.15800	1.1
72.75772	0.8
83.05038	0.9
85.06586	1.2
102.14763	0.9
111.08173	1.2
125.09722	1.1
130.59457	1.0
149.09708	2.2
161.13370	1.0
167.10776	10.1
177.12807	1.4
179.10768	4.5
179.14403	10.8
195.13884	28.5
196.14200	0.9
205.12315	20.7
223.13373	100.0
224.13641	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	223.1337
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.44995	0.5
57.03425	1.0
59.01123	0.5
59.01382	7.8
59.41233	0.5
61.98832	1.3
62.55149	0.5
66.13335	0.5
69.03455	7.9
69.38342	1.1
69.38747	3.7
71.01380	0.9
71.05014	2.5
75.39600	0.5
75.78555	0.5
76.10428	0.5
81.03453	0.7
82.56416	0.5
83.05018	1.4
85.06596	1.9
93.98092	0.6
95.05016	1.3
97.06585	0.7
101.02431	0.8
109.06596	1.2
110.03223	0.6
111.08148	0.5
112.60189	0.6
123.08153	0.6
125.09683	1.3
135.11801	0.9
141.09203	0.8
149.02414	0.8
149.09706	2.3
149.99551	0.5
153.09138	0.9
161.13350	1.1
167.10757	11.0
177.12807	1.7
179.10760	5.5
179.14383	12.5
187.11205	0.8
193.01430	1.3
195.13887	29.6
196.14284	1.1
205.12318	22.0
206.12689	0.8
208.03783	2.2
223.02751	2.1
223.13377	100.0
224.13695	5.6
224.87827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.139
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.75842	0.4
57.03439	0.9
58.58989	0.3
61.98844	0.4
69.43420	0.3
71.01379	0.5
71.05002	0.5
75.00876	1.2
76.87753	0.3
83.05021	1.5
93.03465	0.5
93.07071	0.6
101.02428	0.4
109.02960	0.8
111.04527	4.7
119.08619	0.5
121.06606	0.5
125.06104	3.6
135.08159	0.9
137.09683	1.0
147.08177	0.7
148.04204	0.5
148.05275	2.7
149.06018	0.5
149.09669	0.4
151.11285	0.4
161.09723	3.3
163.07629	3.0
164.08360	0.5
170.05809	0.5
171.08142	0.4
175.07632	1.1
175.11284	6.4
176.11621	0.5
177.12781	0.7
179.07242	0.4
186.10471	1.3
188.08430	1.1
189.09169	3.7
189.12811	1.0
191.14375	2.7
196.07431	0.4
201.12833	12.3
202.13144	0.4
203.10765	12.7
204.07822	1.2
204.11539	32.7
205.11876	1.5
219.03011	0.8
219.13889	100.0
219.17151	12.8
220.14224	5.1
220.17892	0.7
236.10248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
57.46978	0.1
59.01361	0.5
61.39032	0.1
62.61011	0.1
67.43579	0.1
67.66759	0.1
69.68974	0.7
107.44382	0.1
127.07632	0.7
143.03546	0.1
148.05275	0.5
149.05981	0.5
151.07613	0.3
164.08398	1.9
165.09190	0.4
205.12328	1.7
206.12622	1.4
207.13872	1.1
220.14674	4.1
221.15437	100.0
222.15773	6.0
234.98134	0.1
235.13393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1444
Annotation	CHEBI:79275
Peak:m/z	Relative Intensity
59.01377	10.2
59.74981	0.4
61.98816	0.8
69.63844	2.7
71.27805	0.4
72.99314	0.4
83.92406	0.4
85.02975	0.5
116.92846	0.9
136.19215	0.4
145.02985	0.5
145.06543	0.7
153.09212	1.7
161.02367	0.6
173.02325	0.6
173.06004	1.0
174.05588	0.7
174.99234	2.4
185.11845	0.6
189.01918	0.4
189.05470	0.4
199.85069	0.5
203.91238	0.4
217.01440	1.4
217.05087	2.2
217.14424	100.0
218.04553	1.3
218.14767	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	216.8968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
69.22580	0.8
69.22998	0.5
71.01371	0.2
78.95432	0.3
78.95894	6.2
79.71806	0.1
79.95730	0.8
80.96519	1.5
81.95290	0.3
82.96086	1.0
87.00865	0.7
87.82697	0.1
101.00947	0.2
105.90730	0.1
117.00480	0.8
119.93726	0.2
128.94875	0.9
136.94003	80.9
137.94069	4.2
143.02023	0.2
154.95126	0.3
154.96455	0.4
156.90327	0.5
168.99910	0.5
174.99283	0.2
188.60233	0.2
198.89667	1.9
198.95483	0.6
199.01018	0.2
216.90663	100.0
217.90755	5.9
218.91083	0.5
234.40910	0.2
234.91766	10.0
235.91682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	0.8
61.98839	0.8
70.40337	0.5
70.82612	1.2
86.89091	0.4
90.97142	2.2
114.30289	0.5
118.96604	0.8
124.89151	1.6
132.98215	2.5
144.02614	0.6
158.84712	1.4
174.99242	29.3
175.99661	0.7
188.89450	0.9
192.23715	0.5
217.00269	23.7
217.04953	0.9
218.00639	1.1
218.04619	1.2
220.21587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
69.03450	0.6
95.05020	0.4
123.00904	0.3
155.10788	0.4
155.92769	0.4
165.12820	0.8
165.45352	0.3
167.10713	0.5
167.14444	1.8
183.13899	15.4
184.14197	1.0
193.12335	4.6
211.13380	100.0
212.13713	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
50.04696	0.7
55.41496	0.7
59.01373	3.0
59.42297	0.7
67.05466	0.7
68.99807	2.5
69.03443	1.0
71.01402	1.3
73.44831	0.8
83.05036	0.9
117.71375	0.7
123.04419	1.0
123.27925	0.7
125.06113	0.7
125.09727	2.0
127.11287	2.4
137.09695	0.7
139.11290	2.5
141.12833	1.6
149.09755	1.1
151.11255	2.1
155.10802	4.1
167.10759	4.7
169.12317	2.0
183.13870	0.9
185.11816	100.0
186.12161	4.2
195.10252	17.1
195.13835	1.3
196.10620	0.7
213.01752	1.0
213.11308	96.7
213.14891	5.4
214.11615	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	213.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01373	0.8
68.99049	0.4
69.03448	0.7
70.50746	0.8
70.51114	0.8
74.64993	0.4
81.63166	0.4
95.05072	0.4
97.06588	1.0
107.48958	0.4
118.92422	1.0
123.00854	0.6
125.09695	1.0
141.03482	0.4
151.11284	12.0
152.11620	0.9
169.12334	100.0
170.12685	4.6
183.13870	1.7
184.21268	0.4
185.11810	0.7
194.99292	0.9
195.10245	1.1
195.13885	1.3
197.99213	0.9
213.01738	0.9
213.05594	0.8
213.11328	10.3
213.14902	8.8
213.18533	1.0
214.11749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
69.03468	0.4
70.15315	0.7
70.15707	0.4
92.47007	0.3
97.06605	0.8
98.20033	0.3
118.92430	0.3
125.09752	0.3
151.11278	12.5
152.11597	0.4
162.44630	0.3
169.12332	100.0
170.12677	4.5
177.09200	0.3
195.10228	1.0
202.97517	0.3
213.11299	13.8
213.14870	0.8
214.11636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01369	0.3
59.82481	0.2
62.43304	0.2
69.23441	1.7
97.06587	0.2
108.42139	0.2
132.46388	0.2
165.12798	0.2
177.12846	0.6
183.13890	29.8
184.14238	1.2
195.13892	25.6
196.14294	1.1
211.13286	0.9
213.14949	100.0
214.15285	4.6
223.68639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.33228	0.4
57.03446	0.5
59.01368	1.9
61.16322	0.5
64.04077	0.5
69.03466	0.6
69.49634	2.7
69.50050	1.2
98.19907	0.7
98.51414	0.5
118.92435	0.9
125.09692	0.9
127.11279	0.8
151.11292	0.8
155.10780	1.2
167.10756	0.6
169.12318	1.3
183.13889	29.7
184.14252	1.5
185.11884	3.6
195.10223	1.1
195.13890	29.7
196.14217	0.9
197.99182	1.1
211.13367	0.8
213.01764	1.4
213.03638	0.7
213.05594	1.5
213.11409	3.9
213.14946	100.0
214.15331	5.0
222.68726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.93328	0.3
54.07192	0.3
59.01366	1.0
61.98810	0.5
65.00310	0.7
66.03483	0.5
68.49001	0.4
69.92887	1.2
69.93301	0.6
71.01379	0.3
80.02682	2.6
81.03458	2.2
83.05018	8.8
92.99818	1.3
93.03476	0.9
94.02972	1.2
95.01369	0.5
95.05011	1.5
95.50418	0.3
97.06567	0.6
109.02965	0.3
109.06607	0.9
120.02068	0.4
120.81474	0.3
121.02957	16.7
124.04047	2.9
125.06072	1.1
135.08185	1.2
136.98808	0.8
137.02461	0.7
142.59988	0.3
147.11769	0.5
151.79541	0.3
161.02502	0.4
163.11275	6.9
163.16971	0.3
163.94708	0.4
164.98271	1.1
165.01964	0.8
165.12857	5.0
166.13245	0.4
178.99750	0.4
179.03447	0.7
181.12329	1.3
190.99831	0.7
191.10730	1.7
194.02109	0.4
209.00894	1.0
209.04564	2.6
209.11813	100.0
209.94951	0.4
210.12166	4.5
218.66034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03447	3.2
59.01377	100.0
64.09843	0.4
80.02706	0.4
81.03455	1.1
83.05008	0.6
88.45311	0.4
91.48188	0.4
95.05021	0.5
97.06572	2.6
102.97642	0.4
109.06609	4.0
117.04812	0.4
121.02956	3.5
123.94687	0.4
149.09752	0.5
160.51970	0.4
163.60223	0.4
165.12837	3.5
166.43983	0.4
209.04486	0.7
209.11812	13.8
210.12149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01865	2.1
57.03452	4.6
59.01378	2.6
61.98792	1.1
67.94167	0.8
69.03454	2.0
71.05014	1.0
71.09563	2.4
81.03453	3.5
83.01388	19.4
83.05031	9.2
93.03461	1.4
94.02969	1.6
95.05022	2.0
97.06604	5.4
104.81796	0.8
105.85650	0.9
111.08134	1.5
120.02293	0.9
121.02956	29.1
123.08137	3.7
124.04043	2.4
125.02474	1.1
125.08813	2.0
125.09719	31.3
135.08171	1.2
163.11258	6.8
164.98239	1.4
165.12820	7.6
167.10771	24.5
168.11006	1.1
181.12282	2.4
191.10797	4.8
209.04518	3.1
209.11819	100.0
210.12157	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	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.04405	0.1
62.98520	0.2
70.72816	0.4
78.30103	0.1
88.64220	0.1
91.16305	0.1
124.04020	0.3
125.13269	0.1
141.40431	0.2
163.95605	0.4
164.96402	0.3
171.32489	0.2
209.94881	30.7
210.94942	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03463	0.4
59.01371	0.5
59.26826	0.3
61.98813	0.3
64.48824	0.3
65.00317	0.3
67.01885	3.0
69.03467	0.4
69.93549	1.3
75.22473	0.3
80.71674	0.3
81.03465	0.3
83.05022	0.9
84.17658	0.3
85.06625	0.3
89.23404	0.3
95.01380	0.9
95.05043	0.6
97.02946	0.5
97.06654	0.3
121.03046	0.4
123.00877	0.3
123.04530	0.3
123.05945	0.3
123.08120	0.4
124.04024	0.3
125.02384	0.4
125.09721	5.5
137.02415	0.4
139.00339	0.3
164.87068	0.3
165.12727	0.3
167.06119	0.6
167.14410	4.0
175.11356	0.3
183.13873	0.9
193.12389	0.6
211.13380	100.0
212.13719	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
52.32271	0.8
53.20847	0.8
57.03452	6.0
58.00608	1.1
59.01374	3.0
59.43964	0.8
61.98819	2.6
65.99155	0.8
69.03457	2.7
69.36323	6.8
71.01378	26.3
71.05015	2.4
73.02935	1.6
80.02666	1.9
81.03450	2.4
83.01369	3.0
83.05029	5.8
84.02157	1.3
85.98408	0.8
93.03456	2.7
94.02979	1.0
95.01385	1.5
95.05009	4.2
97.02930	1.6
97.06577	6.4
107.05039	1.1
108.02169	1.6
109.06631	1.1
111.08120	2.9
112.01603	1.0
114.41238	0.9
120.02177	1.1
121.02956	41.6
123.08179	2.1
124.04018	3.5
125.02482	1.7
125.09721	10.1
134.03754	1.4
135.08144	1.4
137.02426	1.0
137.06104	1.0
145.10194	3.2
147.11787	3.4
149.09648	1.3
151.11279	34.5
152.11577	1.2
152.59830	0.8
153.09132	0.9
153.12856	3.6
160.51218	1.0
161.09778	1.6
163.11304	11.2
165.09180	1.9
165.12843	21.0
167.10710	1.6
173.09732	3.6
179.10753	6.6
180.06042	0.8
181.12346	46.7
182.12654	2.2
190.99754	1.1
191.10777	20.5
192.10866	1.0
208.30632	0.8
209.04549	5.3
209.11821	100.0
210.12196	4.8
225.75653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46406	0.1
59.01387	0.2
61.30893	0.1
61.98827	100.0
62.98541	0.1
63.99242	0.1
68.63351	0.1
69.77942	0.2
69.78336	0.3
74.12435	0.1
126.44137	0.1
149.02498	0.2
162.98460	1.4
164.96376	0.2
173.84995	0.1
177.01927	0.5
192.04268	0.5
197.57919	0.1
206.97435	6.7
207.06485	0.2
207.97537	0.3
210.41827	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	207.051
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.70694	0.6
55.01863	1.1
58.00592	4.7
58.43452	0.5
59.01377	26.5
64.69087	0.5
64.88596	0.5
70.86575	0.7
70.86910	1.2
71.01385	7.2
72.99301	4.8
73.02943	3.5
75.00876	1.7
78.95904	2.2
83.01378	3.1
85.02958	0.8
89.02444	9.5
89.02993	0.4
92.16410	0.5
99.00883	2.9
101.99573	1.5
113.02449	1.2
117.01939	100.0
117.05573	1.9
118.02270	1.7
136.93977	0.6
174.37180	0.5
189.04132	1.5
206.95520	4.8
207.05077	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	207.1026
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
55.19777	0.9
57.03436	2.0
59.01377	12.5
61.98840	1.4
67.01867	1.7
69.03448	1.4
69.27336	5.8
69.27753	1.7
79.05529	2.0
80.02660	1.5
81.03462	7.2
83.05011	1.5
93.03456	59.5
94.03761	1.7
95.04414	1.6
95.05021	17.0
97.02949	1.1
98.19885	2.0
106.04255	1.6
107.05032	16.0
108.02185	1.9
109.06593	11.1
119.05051	1.0
120.05837	1.2
121.02963	1.9
121.06580	3.6
121.10213	0.8
123.04487	1.4
133.06650	1.2
134.07384	0.9
135.04591	1.0
135.08211	1.6
142.75639	0.8
145.10202	1.9
147.08226	1.2
148.08937	2.2
149.02397	1.8
161.09676	1.7
163.00323	1.2
163.04047	1.9
163.11281	100.0
164.11601	4.0
177.01917	11.5
179.03543	1.0
191.03568	0.9
192.04274	10.2
207.01234	1.7
207.03017	2.8
207.06581	3.3
207.10254	28.0
208.01019	1.0
208.10641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56068	0.4
55.01868	3.2
55.65594	0.4
57.03440	3.1
69.03446	0.8
69.44280	3.3
71.01389	0.8
71.05013	0.9
79.14263	0.5
80.02667	1.4
81.03451	5.4
83.01385	31.1
83.05009	4.3
84.02151	1.6
92.99808	0.5
93.03431	0.6
95.01361	0.5
95.05050	2.3
97.02964	0.6
97.06581	5.4
98.19926	1.0
106.04241	0.7
107.04983	0.5
109.06574	0.8
111.08170	0.8
121.02948	10.2
123.08151	2.0
125.09720	26.8
126.10118	0.6
135.08185	3.0
147.11829	1.1
153.12885	0.4
161.09758	0.5
163.11272	12.1
165.12820	3.8
167.10757	0.4
172.61710	0.5
173.09718	0.7
181.12299	1.6
191.10762	7.5
192.11066	0.5
199.19322	0.5
209.04514	1.1
209.11816	100.0
210.12160	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85594	0.9
54.51321	0.7
57.03441	5.2
59.01372	3.2
60.40175	0.7
61.98831	4.4
65.00314	1.1
69.03442	3.0
71.01381	13.8
71.05015	1.4
73.02947	2.2
74.13632	0.7
80.02674	3.7
80.03092	0.8
81.03426	3.8
83.01384	2.7
83.05009	6.8
84.02147	1.1
85.02967	1.2
91.01904	1.0
92.99824	1.3
93.03464	2.2
94.02988	2.4
95.01384	1.3
95.05040	3.2
97.06579	4.6
98.19849	1.5
99.04544	0.8
107.05035	1.1
109.06594	1.2
111.08141	3.1
120.02165	1.4
121.02954	60.7
122.03300	1.0
123.08158	2.2
124.04048	7.2
125.09721	7.8
126.17001	0.9
134.03719	1.3
135.08177	1.6
136.01582	1.2
136.98837	0.9
137.02423	0.9
137.09627	1.1
144.00665	1.1
145.10219	1.5
147.11775	1.9
149.09686	1.4
151.03979	1.2
151.07645	1.0
151.11281	25.8
153.12843	2.8
161.09735	1.6
163.11259	10.5
164.98274	1.1
165.05591	0.9
165.12833	20.4
167.10730	2.2
173.09697	2.1
179.03548	2.5
179.10799	4.5
181.05049	1.0
181.12337	26.9
182.12688	1.9
190.99846	1.3
191.10745	12.6
194.02058	1.0
194.05824	2.0
196.90572	0.8
209.00990	1.6
209.04564	8.8
209.11812	100.0
210.12129	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	205.0351
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
54.21471	1.9
54.50861	1.8
55.01868	7.0
57.03434	6.5
58.00602	1.9
59.01377	58.2
67.01885	11.4
68.99817	10.5
69.03458	3.4
70.63925	3.1
70.64259	3.5
71.01377	68.9
72.99303	42.1
73.02944	20.3
74.19910	2.0
75.00867	26.2
79.15064	1.6
81.03456	7.7
83.01369	11.6
83.05032	2.8
85.02948	7.4
87.00336	3.2
87.00872	60.6
89.02455	7.2
94.21481	1.8
96.99310	6.6
99.00877	33.0
99.04513	10.5
101.02435	18.8
103.00373	5.2
111.00876	100.0
112.01268	2.6
112.98801	25.2
115.00368	72.3
115.04025	5.3
117.01936	12.4
124.98791	10.9
125.02446	34.6
127.00368	7.3
129.01936	14.5
139.82643	1.8
142.99878	17.2
143.03493	10.3
145.01416	19.9
154.99869	14.6
156.40395	2.0
173.00883	8.5
175.02461	4.1
187.02438	5.2
189.12875	1.9
205.01543	3.6
205.03496	15.2
205.05141	2.9
205.07091	3.1
205.15887	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22847	2.6
53.00325	2.5
55.01876	8.9
58.00575	3.8
59.01379	97.4
61.98840	16.7
68.99820	9.7
69.93887	9.5
69.94299	6.4
71.01376	99.8
72.99310	48.8
73.02950	11.7
75.00869	44.6
75.28580	2.8
83.01389	13.0
84.99305	4.2
85.02947	8.0
87.00405	4.6
87.00880	48.6
89.02443	9.6
96.99323	8.3
98.19954	2.9
99.00871	38.3
101.02435	7.6
101.14993	2.6
103.00361	7.1
103.00991	2.7
111.00883	16.1
112.98810	34.6
115.00366	100.0
117.01940	12.2
124.98762	16.7
127.00379	11.9
127.03956	4.4
129.01892	15.6
142.99866	29.8
145.01411	16.2
154.99872	17.1
157.01433	3.2
173.00867	7.6
175.02473	12.8
205.03366	4.9
205.15944	7.0
208.56639	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	205.0869
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
59.01379	0.7
62.45724	0.3
67.40601	0.3
70.50822	0.5
70.51186	0.5
71.01387	0.9
72.99328	0.3
75.00878	0.5
79.59411	0.3
87.00877	0.4
99.00868	0.3
108.02152	0.3
109.02932	0.4
115.00390	0.8
121.02971	0.9
122.03743	7.6
124.01690	0.6
133.02960	0.7
134.03685	0.5
135.04544	0.6
137.02451	1.2
137.57776	0.3
147.04523	10.2
147.05679	0.6
148.05237	0.9
149.06105	1.2
154.02719	1.0
161.02443	0.9
161.06108	2.0
162.06886	0.4
175.04004	21.4
176.04784	100.0
177.01923	0.5
177.05104	4.0
177.09212	1.2
187.07767	0.6
205.01410	0.7
205.05057	1.0
205.08693	30.5
205.15955	2.1
206.09103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
71.01383	0.2
87.00858	0.1
88.68477	0.1
104.39469	0.1
133.02954	0.2
161.02493	0.2
189.12865	2.0
190.13106	0.2
205.15961	100.0
206.16309	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.01244	0.7
58.02975	41.0
58.20395	0.7
66.40530	0.7
70.02975	12.1
72.00908	6.5
73.51395	0.8
91.05538	13.2
93.95426	0.7
98.19902	2.4
103.05516	1.6
103.94952	0.9
114.21716	0.7
135.04498	1.0
147.04529	40.0
148.04865	1.6
162.09247	1.8
164.07167	100.0
165.07515	4.0
172.75766	0.9
184.13919	0.9
206.08218	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	36.5
68.41135	0.6
69.50839	3.9
70.02977	14.3
72.00910	6.4
88.48940	0.6
89.91869	0.6
89.92431	0.6
91.05531	15.7
95.80524	0.6
103.05553	2.3
107.05052	0.6
113.84309	0.6
133.06578	0.6
135.04533	1.0
147.04521	41.2
148.04863	1.6
162.09230	1.2
164.07159	100.0
165.07539	3.6
206.08209	30.5
207.08615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
66.24391	1.1
67.01882	1.4
69.03072	1.7
69.03452	32.3
71.53972	1.9
79.01869	1.1
85.02952	1.3
93.03455	1.7
95.05021	3.3
97.02946	100.0
108.02164	1.6
121.02944	3.5
123.04520	44.9
127.03995	1.5
133.13840	1.2
141.16722	1.2
147.47916	1.2
155.07024	1.2
155.10812	1.6
160.78258	1.2
199.06039	2.4
199.13338	2.3
199.17049	3.6
201.14139	1.2
201.98077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74096	0.3
57.98353	0.3
59.01378	100.0
59.68470	0.4
60.01714	0.8
62.75659	0.3
63.16497	0.4
69.75249	2.1
70.16821	0.4
143.12737	0.4
157.03551	6.4
159.01544	1.5
201.02542	10.1
202.02756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01707	0.7
70.68987	0.6
91.83873	0.2
102.60094	0.3
106.51643	0.2
113.04593	0.3
119.01205	0.2
124.99405	0.3
138.98929	0.3
157.03557	6.4
158.03706	0.5
159.01527	1.4
176.36980	0.2
201.02542	10.7
202.02716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.01375	3.3
63.82580	0.5
68.86651	0.5
69.03452	1.4
69.27443	4.7
71.01370	2.0
72.00906	24.4
72.16691	0.5
72.99307	0.7
73.02967	0.5
74.02472	30.5
75.00850	0.6
81.03484	0.6
85.02940	0.8
87.00886	0.7
95.01417	0.7
97.02946	2.7
97.06613	0.6
103.92007	2.8
104.97712	0.6
106.94458	0.6
112.98807	0.9
113.02444	0.7
116.05058	100.0
117.04660	0.5
117.05380	2.5
130.04280	0.7
130.06610	3.6
131.01509	0.7
131.05066	1.1
132.08168	0.8
136.81653	0.5
141.01918	1.1
142.06616	29.1
143.07011	0.8
147.04555	1.0
148.95392	0.6
157.07712	0.7
159.04512	3.1
159.09261	15.6
160.04001	1.5
160.89323	1.0
161.04799	1.0
166.87759	0.5
174.03206	0.5
175.03963	2.5
181.07547	0.5
185.04578	1.1
186.05621	3.7
188.04788	0.5
202.94135	0.5
203.01909	2.0
203.03510	4.7
203.08261	51.1
204.08618	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93954	0.1
58.50327	0.1
59.01376	1.9
60.01710	0.6
60.29313	0.1
61.01809	0.2
61.98829	100.0
62.98523	0.1
71.00092	0.2
86.27123	0.1
145.29047	0.1
203.99971	0.6
204.02736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.3
69.25423	5.1
81.43414	0.6
83.05024	1.0
88.32581	0.6
100.52472	0.6
109.02934	0.9
121.02921	1.2
123.00874	0.8
123.08160	1.4
125.02370	1.3
125.09744	0.9
126.90474	0.7
141.09248	1.0
151.11282	0.7
153.09158	1.0
153.12827	4.1
166.99896	0.9
169.12332	17.5
179.10756	2.1
182.02213	1.9
192.89677	0.7
196.89471	1.2
197.11813	100.0
198.12112	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01381	0.7
62.17268	0.4
69.03466	2.0
70.09460	0.9
70.09855	0.7
83.05022	1.1
97.69644	0.4
123.08196	0.6
141.09204	1.1
146.36049	0.4
151.11308	0.6
153.09198	2.2
153.12825	3.2
162.83904	0.6
169.12331	16.6
170.12697	0.5
179.10724	2.1
197.11819	100.0
198.12149	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03442	4.0
58.00587	11.4
58.35299	1.4
58.70915	1.1
59.01377	6.1
59.24030	1.6
61.98829	1.9
67.01903	2.0
69.03444	4.2
69.05022	1.2
70.40508	4.9
71.01378	6.3
73.02945	34.2
74.03279	1.2
83.01392	2.1
83.05016	2.6
84.02164	5.1
85.02938	3.0
92.99799	2.4
97.06584	3.7
99.00880	2.1
99.04527	2.3
101.06122	1.5
109.06612	2.8
111.00887	2.6
111.04523	1.8
119.08659	2.1
123.08136	4.6
125.06084	11.8
125.09709	21.6
127.11278	12.7
135.08156	5.0
136.98816	1.9
137.09729	14.6
141.09190	5.7
143.10774	5.8
151.07652	5.8
153.09224	8.8
155.10762	13.5
162.83917	2.9
163.07635	3.2
171.10255	68.6
181.08710	8.7
199.09746	100.0
199.13446	11.4
199.16985	6.7
200.10023	2.8
219.24097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01875	0.6
55.52086	0.2
56.93406	0.2
57.03441	0.7
59.01376	0.5
67.29573	0.2
69.03455	2.3
71.05019	3.7
75.47248	0.2
80.96521	0.3
82.58258	0.2
83.05023	0.8
97.02953	0.3
97.06605	0.5
107.01354	0.2
109.02962	0.3
109.06544	0.3
116.92909	0.3
121.02934	0.3
123.00877	1.4
123.08152	0.7
125.02417	0.6
125.09750	1.8
126.90522	0.4
137.02382	0.2
137.09700	0.4
138.03201	0.3
147.57393	0.3
151.11252	0.7
153.09152	0.4
153.12846	3.9
166.99852	0.5
169.12363	0.7
171.74489	0.2
179.10728	2.3
182.02165	1.6
196.89465	0.4
197.11821	100.0
198.12166	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01860	0.2
57.03421	0.2
59.01374	0.4
60.71273	0.1
61.98820	0.5
71.52312	0.3
81.03466	0.2
86.01449	0.1
87.57249	0.1
89.00346	0.2
95.01417	0.2
107.05021	0.2
108.02205	0.2
109.06589	4.9
111.08159	3.8
121.02975	0.5
122.03745	0.9
123.00910	0.4
123.04530	0.5
123.08141	0.2
124.01672	0.2
125.02510	0.2
125.09722	0.9
135.11823	0.5
136.05301	1.1
137.02451	0.3
138.06851	0.4
139.07622	0.6
149.06070	0.2
150.03214	0.6
151.04001	0.4
151.07661	0.3
151.11322	0.8
160.84221	1.9
165.01915	0.4
165.05577	0.3
165.12901	0.2
167.14415	7.4
172.24377	0.1
176.89510	0.4
178.67561	0.2
179.10770	5.4
180.02856	0.2
180.04285	0.9
180.11482	0.5
183.13821	0.2
194.90352	0.2
194.91898	0.3
194.99432	0.3
195.02982	0.5
195.06773	1.5
195.13902	100.0
195.81093	0.8
196.14240	4.3
212.61899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.35498	0.4
59.01378	0.7
61.98790	0.7
69.03465	1.4
69.20119	1.5
69.20540	3.5
71.01382	0.6
71.05019	1.1
78.95921	0.8
83.05045	0.7
85.35240	0.4
95.05002	0.5
97.05970	1.0
97.06585	14.0
99.08157	4.0
109.02929	1.1
109.06625	0.5
116.92902	0.8
121.02912	0.6
122.03732	2.1
123.00851	1.8
123.08156	0.8
125.02474	0.9
125.09708	1.2
126.03242	0.8
126.90491	1.5
136.25540	0.5
137.02446	0.7
137.09695	2.0
151.11255	1.3
153.01981	0.4
153.12846	100.0
154.13208	3.3
160.84212	1.3
162.83904	3.4
166.99867	1.2
169.12325	2.4
178.88449	0.6
179.03558	0.8
179.10767	21.0
180.11142	0.8
182.02179	2.7
196.89458	1.5
197.02081	1.0
197.04601	1.5
197.08102	0.9
197.09985	1.0
197.11830	19.0
197.80806	2.7
198.12167	0.6
203.98111	0.5
212.62883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.09755	0.3
59.01381	0.9
66.04002	0.2
69.03454	1.9
75.67785	0.3
81.03417	0.3
83.05035	1.4
91.82606	0.2
97.06597	0.3
109.02941	0.4
123.08127	0.6
125.09740	0.5
126.90459	0.5
140.77457	0.3
141.09250	1.2
151.11282	0.6
153.05550	0.3
153.09242	1.7
153.12839	3.9
162.83940	0.4
169.12337	20.2
170.12660	0.7
179.10779	1.7
182.02258	0.4
196.89532	0.3
197.11823	100.0
197.80688	0.4
198.12157	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41333	0.2
59.01374	1.1
59.38871	0.2
61.37212	0.2
61.98821	0.5
69.03464	3.1
69.24161	1.7
71.01363	0.4
81.03453	0.4
83.05025	1.7
95.01371	0.3
97.06579	0.5
97.67271	0.2
109.02946	0.4
116.92824	0.5
119.74043	0.2
121.02930	0.3
123.00877	1.1
123.08163	0.6
125.02457	0.4
125.09707	0.4
126.90497	1.2
135.11774	0.3
138.03265	0.4
141.09232	1.5
151.11244	0.8
153.01921	0.2
153.05542	0.3
153.09189	1.9
153.12842	4.4
153.38350	0.2
157.76163	0.2
160.84222	0.8
162.83919	1.7
166.25417	0.2
166.99858	1.0
167.10690	0.4
169.12334	18.6
170.12656	0.7
179.10785	2.3
182.02208	1.9
196.89511	0.7
197.11819	100.0
197.80751	1.0
198.12180	4.0
216.08650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01856	0.7
57.03452	3.9
58.00581	0.6
59.01375	21.5
59.77657	0.5
60.99327	0.6
68.99821	0.7
69.24519	4.7
69.24918	1.3
71.01380	11.9
72.99297	7.1
75.00869	100.0
76.01217	0.8
83.01373	1.6
85.02947	8.5
87.00874	9.0
89.02440	9.1
99.00884	5.6
101.02445	2.4
106.75729	0.7
111.00895	3.6
117.01920	0.7
122.16561	0.6
129.01942	27.4
131.03500	0.6
141.01976	4.4
159.02980	13.6
177.04060	2.0
178.34282	0.5
184.32384	0.6
191.21010	0.5
195.05089	57.0
196.05455	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01382	6.4
61.98822	0.5
63.02403	0.4
65.00320	0.7
66.03477	0.6
68.99553	2.2
69.03436	0.4
69.16727	3.7
69.17144	0.9
71.01382	0.7
72.71883	0.3
73.02952	0.4
75.00856	0.6
79.01898	0.5
82.58616	0.4
83.05021	0.6
86.66245	0.4
88.71011	0.4
95.01392	0.5
97.02950	0.4
97.06580	0.4
101.00191	1.3
101.02333	0.4
107.01374	0.5
107.05015	0.7
109.02982	0.6
112.98554	1.7
121.02967	1.7
123.00864	1.9
123.04535	1.8
125.02403	1.0
130.99301	0.8
135.04526	1.0
136.05312	1.9
137.02455	0.7
150.03229	2.1
150.94217	0.5
151.00346	1.0
151.04033	2.0
151.07645	0.6
160.84236	2.3
165.01917	1.3
165.05586	0.9
167.03554	0.7
176.89508	0.8
176.98335	0.7
177.12845	4.4
177.72131	0.4
180.04263	1.9
194.90569	1.8
194.99478	1.9
195.02957	1.9
195.06624	3.0
195.13893	100.0
195.81097	0.7
196.14221	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01386	5.8
61.98835	1.2
68.99543	0.9
71.10652	0.6
78.41201	0.5
80.99728	0.6
95.01408	0.9
108.02174	0.8
109.02934	0.8
121.02949	2.4
122.03713	0.8
123.00874	1.6
123.04514	1.6
130.99263	0.7
136.05296	2.6
150.03174	1.9
151.03940	0.9
160.84181	2.0
165.01924	1.0
165.05513	0.7
177.12871	4.9
180.04239	2.6
194.99332	1.2
195.02901	1.5
195.06615	2.7
195.13885	100.0
195.80995	0.8
196.14182	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	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.85579	0.2
57.03437	0.7
59.01377	3.7
62.05058	0.2
63.78242	0.2
67.01875	1.3
69.03452	0.8
71.01374	1.7
71.30589	0.3
73.02936	1.2
81.03047	0.2
81.03439	1.2
83.05023	1.2
83.59551	0.3
85.02946	28.1
86.03281	0.3
87.00869	5.2
93.03455	9.9
95.01399	0.4
97.02950	0.3
99.04524	0.9
101.02405	0.3
109.02957	2.2
111.04518	2.5
113.02428	0.4
125.02396	0.3
127.04000	5.7
137.02448	0.6
155.03517	0.4
171.02992	1.6
173.04524	2.3
189.04024	0.3
191.05600	100.0
192.05942	3.3
209.11926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03431	0.7
59.01373	3.2
60.99308	0.2
67.01888	0.9
69.03448	0.5
71.01369	2.0
72.99288	0.3
73.02944	1.2
74.74264	0.2
81.03459	1.0
83.05012	1.0
85.02946	23.7
86.03259	0.3
87.00871	4.6
91.15822	0.2
93.03454	7.6
94.03772	0.3
95.01369	0.3
98.19884	0.5
99.04520	0.7
108.02205	0.3
109.02959	2.0
111.00880	0.2
111.04517	2.7
113.02440	0.3
125.02392	0.3
127.03999	5.2
128.04323	0.2
132.61981	0.2
137.02478	0.3
143.03499	0.2
155.03503	0.3
171.03023	1.4
173.04547	1.7
185.74371	0.2
191.05605	100.0
192.05949	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	193.0505
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
59.01356	0.2
63.55829	0.2
69.03429	0.3
69.84553	0.7
69.84969	0.7
71.01370	0.4
71.75523	0.2
73.02929	0.4
79.69303	0.2
85.02941	0.4
86.04946	0.3
87.00865	0.3
93.03442	0.8
106.04211	0.7
111.00867	0.5
121.02958	2.5
126.53892	0.2
131.20193	0.3
133.02953	20.4
133.18671	0.3
134.03746	20.2
135.04131	0.6
137.02440	15.2
138.02748	0.4
139.04015	4.6
148.42224	0.3
149.02405	0.6
149.06075	0.4
150.03270	1.6
161.02438	29.0
161.04607	0.9
162.02783	1.0
163.03918	0.4
165.01979	0.5
178.02702	5.1
193.05040	100.0
194.05388	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	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50919	0.3
57.03445	1.1
59.01376	4.0
60.99294	0.3
67.01891	1.7
69.03452	1.0
70.95570	0.5
71.01386	2.1
73.02939	1.1
77.55517	0.3
81.03452	1.0
83.05019	1.2
85.02947	28.8
86.03265	0.6
86.69070	0.2
87.00870	8.1
93.03455	9.8
95.01408	0.3
99.04517	1.1
101.02449	0.2
108.02110	0.4
109.02934	1.8
111.00877	8.4
111.04510	2.3
127.04025	5.2
129.01930	0.4
137.02466	0.5
152.10789	0.2
152.34906	0.2
155.03427	0.3
158.24715	0.2
171.02982	1.2
173.04507	1.9
187.26534	0.3
191.05598	100.0
192.05946	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	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.65747	0.1
51.85810	0.1
57.03442	0.7
58.00590	0.2
59.01374	3.2
60.99297	0.2
67.01894	1.1
69.03447	0.7
69.98682	0.1
69.99014	0.5
71.01376	2.1
71.05002	0.1
71.78828	0.1
72.99314	0.3
73.02936	0.9
76.97323	0.1
81.03476	1.0
83.01402	0.2
83.05022	1.0
85.02948	25.0
86.03284	0.7
87.00874	6.1
88.01180	0.1
93.03458	7.1
94.03799	0.3
94.40852	0.1
95.01378	0.1
99.00863	0.1
99.04518	0.9
101.02434	0.2
104.32919	0.1
106.88933	0.1
108.02160	0.2
109.02952	1.8
111.00880	4.0
111.04516	2.3
113.02450	0.4
125.02458	0.2
126.50216	0.1
127.04012	4.5
128.04317	0.1
129.01955	0.3
137.02460	0.4
137.99731	0.1
143.03471	0.2
153.02008	0.1
155.03531	0.3
171.03018	1.5
173.04529	2.2
191.05602	100.0
192.05946	4.7
211.41693	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	185.1183
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03427	0.9
59.01379	43.2
68.99820	0.9
69.03465	2.7
70.07896	0.7
70.40807	2.6
71.01387	4.3
71.05022	7.7
78.95892	2.1
79.99001	0.8
83.04992	0.9
85.02956	1.3
87.04517	1.0
95.05035	1.0
96.96964	2.9
97.02944	1.1
97.06580	2.4
111.04575	0.8
111.08151	2.5
115.04008	100.0
116.04363	1.4
123.08176	1.2
125.09732	1.3
127.11299	4.2
139.11267	3.0
141.01891	1.0
141.05525	1.4
141.09219	2.9
141.12900	0.7
149.09731	1.2
153.88895	0.9
155.10779	4.0
167.10774	17.1
168.11046	1.1
183.10254	3.5
185.00958	1.1
185.04620	1.9
185.06116	2.2
185.11818	80.1
185.15405	2.5
186.12163	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
53.48509	0.2
54.50141	0.3
57.03448	4.0
60.57138	0.3
69.03467	0.5
69.58803	1.3
71.05019	0.3
80.02693	0.5
83.05026	0.6
88.04494	0.3
95.05025	0.9
97.06586	12.3
98.06923	0.3
115.05534	0.7
123.08165	6.9
124.16316	0.3
125.09721	100.0
126.10070	3.0
138.24554	0.2
143.05013	0.3
143.10794	1.9
169.08699	2.3
172.05322	0.3
187.04028	0.8
187.09744	36.3
188.10136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.87233	0.1
53.88413	0.2
57.03415	0.2
58.70004	0.2
59.01357	0.3
65.99841	0.2
66.99475	0.1
71.53710	0.2
85.66511	0.1
99.08141	1.0
102.03515	0.7
114.09245	0.2
114.37573	0.1
116.05052	0.4
117.03439	0.3
117.58330	0.2
118.02973	0.2
126.10085	0.3
127.03967	0.2
127.07639	1.0
129.05577	4.1
143.05023	0.3
144.04546	100.0
145.03049	0.2
145.04893	3.5
155.03297	0.1
159.03271	0.9
161.02437	0.4
161.06065	0.2
170.88974	0.4
171.02962	0.2
171.04448	0.2
171.06621	0.3
174.03239	0.2
188.03487	3.6
189.01903	0.5
189.04016	0.3
189.05624	0.7
189.07684	1.6
190.31337	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
57.14236	0.3
59.01374	3.4
67.01894	1.0
69.03461	0.8
69.46503	2.2
71.01370	1.8
71.93681	0.3
73.02958	0.9
77.03953	0.3
81.03456	0.8
82.75466	0.4
83.05038	1.1
85.02949	25.8
86.03292	0.5
87.00885	8.4
93.03461	7.7
98.19816	0.6
99.04518	0.9
103.53755	0.3
108.02190	0.4
109.02964	1.6
111.00887	10.5
111.04517	2.5
119.05021	1.4
121.02960	100.0
122.03285	2.7
127.04032	3.3
129.01978	0.6
135.04575	0.5
137.02397	0.5
142.51605	0.3
147.04529	7.0
147.15492	0.3
155.03532	0.5
163.04056	1.0
171.02975	1.0
173.00934	0.4
173.04497	1.6
191.03592	9.2
191.05597	82.7
192.04144	0.5
192.05949	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03453	0.8
58.00571	0.3
59.01377	3.9
60.99286	0.2
65.03952	0.2
67.01894	1.2
69.03461	0.8
69.46815	1.1
71.01385	2.4
71.05029	0.1
72.73866	0.1
72.99306	0.2
73.02944	1.1
79.20141	0.1
81.03448	1.2
83.05026	1.1
85.02946	26.6
86.03276	0.7
87.00874	5.3
88.77324	0.2
93.03456	8.7
95.01391	0.3
99.00871	0.4
99.04517	1.3
108.02153	0.3
109.02956	2.5
111.00907	0.2
111.04510	2.9
113.02412	0.3
116.88375	0.1
123.37494	0.2
125.02437	0.3
127.04005	4.8
136.08849	0.1
137.02452	0.4
153.01888	0.3
155.03546	0.3
171.02963	1.5
173.04523	2.3
175.36198	0.2
182.76720	0.1
189.97696	0.2
191.05602	100.0
192.05939	3.9
208.23315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37564	0.2
57.03448	0.5
59.01376	2.5
60.99263	0.2
62.89342	0.2
64.41719	0.2
66.90032	0.2
67.01885	0.6
69.03448	0.6
69.82108	1.0
69.82411	0.3
71.01389	1.9
72.99353	0.2
73.02937	0.7
78.60255	0.2
81.03445	0.9
83.05022	0.9
85.02948	18.3
86.03284	0.3
87.00866	3.8
92.49186	0.2
93.03453	6.1
97.02864	0.2
99.04496	0.8
109.02969	1.7
111.00861	0.4
111.04518	1.9
113.02442	0.4
127.03157	0.3
127.04018	4.4
137.02467	0.3
137.58257	0.2
143.03419	0.3
153.01865	0.2
155.03494	0.4
164.74881	0.3
171.02962	1.2
173.04507	1.9
191.05600	100.0
192.05942	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	183.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
67.01890	2.0
67.50156	0.2
69.03453	100.0
69.54892	0.9
69.55319	0.8
70.03787	1.2
71.05022	0.5
87.23222	0.2
95.05025	20.5
96.05352	0.5
97.02956	0.3
106.54344	0.2
107.00256	0.2
111.00893	0.9
111.04508	0.3
111.08160	0.6
113.02435	0.8
121.06578	1.2
123.04529	1.7
124.01649	1.0
127.00366	0.3
136.98842	0.6
139.00359	0.7
139.04012	1.0
139.07648	1.9
140.01175	1.2
155.02180	0.3
168.00638	1.7
183.02972	9.8
184.03317	0.5
194.63707	0.2
198.86089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.4
51.56575	0.3
59.01376	16.4
60.78379	0.3
65.27711	0.3
67.01878	1.5
69.03452	100.0
69.32551	1.4
69.32973	1.5
70.03780	1.7
71.04995	0.4
91.81596	0.4
95.05019	20.4
96.05347	0.8
97.02952	0.8
111.04558	0.4
111.08172	0.9
113.02460	0.5
121.06613	0.6
123.04533	1.9
124.01784	0.3
139.03999	1.1
139.07666	1.8
155.07202	0.5
161.28050	0.3
192.97441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0662
Annotation	2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
59.01379	17.4
60.01702	0.3
67.01890	1.5
67.70272	0.4
69.03454	100.0
70.03767	2.0
70.64497	1.0
70.64851	0.4
71.05019	0.5
95.05024	19.4
96.05388	0.4
97.02943	0.6
97.09297	0.4
111.04488	0.6
111.08131	0.4
113.02456	0.7
121.06580	0.9
123.04529	1.7
139.03984	0.9
139.07614	2.1
155.07179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0661
Annotation	2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
51.85211	0.3
52.50832	0.3
59.01377	14.5
62.15778	0.4
67.01882	2.0
69.03453	100.0
69.54098	1.6
70.03783	1.8
71.05016	0.9
80.74211	0.4
95.05022	19.6
96.05379	0.4
97.02934	0.8
111.08174	0.5
113.02454	0.5
120.49406	0.3
121.06602	1.4
123.04509	1.5
139.04012	1.4
139.07639	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.53341	0.4
59.01367	1.6
64.52807	0.4
67.19698	0.4
69.03454	8.4
74.30737	0.4
81.03455	0.4
83.64375	0.4
95.01388	0.6
95.05017	1.3
95.32600	0.5
98.19901	0.8
111.00845	0.7
114.12216	0.5
124.01662	1.2
136.98817	0.7
139.00342	1.0
139.07610	0.8
140.01210	0.7
168.00641	1.4
183.02982	3.5
183.13890	100.0
184.14247	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01366	0.6
63.59002	0.4
65.93979	0.4
69.03455	1.6
75.10991	0.4
75.25092	0.4
75.99059	0.4
78.75080	0.4
87.43050	0.4
95.04993	0.6
95.76707	0.4
98.20718	1.0
104.88687	0.4
168.00706	0.5
183.02943	1.1
183.13889	100.0
184.14226	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	179.056
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
54.70863	0.7
55.01878	2.7
57.03468	1.7
58.00577	0.8
59.01378	22.1
68.99824	1.5
69.03460	5.2
71.01381	29.2
71.68384	0.7
72.99307	2.2
73.02950	11.7
73.03374	1.1
75.00880	5.5
78.95901	23.2
79.01883	1.4
81.03466	1.8
83.01382	5.7
85.02948	23.0
87.00876	100.0
88.93189	0.7
89.02435	7.1
95.01386	3.0
97.02960	9.3
99.00879	24.7
101.02438	12.0
105.01955	0.8
107.01394	1.1
107.05030	1.2
107.71936	0.7
111.00904	1.4
113.02461	5.0
117.01940	16.7
117.03503	0.7
123.00854	1.2
125.02444	10.8
129.01941	2.9
134.03772	4.4
134.96075	6.2
134.97035	1.4
135.04527	53.5
136.04840	1.9
136.94035	11.9
136.94977	1.8
137.94020	1.1
138.28375	0.8
141.01927	8.0
151.03926	1.0
151.92693	2.3
159.03008	4.3
161.04555	49.1
177.04037	3.2
178.94785	5.6
178.96198	2.7
178.97433	0.7
179.03542	7.7
179.05611	55.4
180.06015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0047
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.02383	0.6
55.01875	0.3
59.01380	3.6
64.01923	0.5
65.99848	0.3
66.01091	0.3
67.01898	2.3
68.01402	0.6
68.21324	0.3
68.99802	1.0
69.03458	11.5
70.84566	0.4
70.84911	0.6
71.01373	0.4
74.44419	0.3
79.01897	0.9
83.05045	0.4
85.02946	0.6
95.01385	11.8
95.05029	2.2
97.02956	0.7
108.00894	0.3
109.01714	1.4
109.02940	0.3
111.00874	1.1
112.03996	0.3
120.00983	0.3
123.00886	25.4
123.04507	0.6
123.69454	0.3
124.01662	0.9
124.04063	0.5
124.98804	0.5
125.01176	2.3
136.98827	0.3
137.01198	1.7
139.00319	0.7
139.04013	0.5
139.07648	0.8
139.11292	0.5
140.01163	0.7
152.72058	0.3
153.00676	22.9
154.01064	0.6
164.98494	0.3
168.00595	1.7
183.00467	100.0
183.02762	4.1
183.10220	1.8
183.13904	0.6
184.00824	2.8
184.03416	0.3
194.75594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0297
Annotation	Leiocarpic acid
Peak:m/z	Relative Intensity
55.01878	4.9
59.01371	1.4
69.03456	7.6
69.58236	1.9
71.05018	27.8
72.05349	0.6
79.01908	0.4
80.02678	0.4
83.01379	1.7
93.03452	1.5
95.05023	44.0
96.05379	0.8
97.02946	64.4
98.03295	1.0
115.04012	19.0
118.10596	0.4
121.02940	0.7
123.00868	1.1
124.01660	1.7
137.02423	1.0
138.95866	0.3
139.04010	100.0
140.04353	2.8
160.00134	0.4
165.01944	4.1
165.91356	0.4
168.00658	0.7
183.02985	28.5
184.03333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
59.01384	2.1
60.38588	0.4
65.00307	0.9
65.33632	0.4
67.01878	1.2
68.99799	0.9
69.03456	14.8
69.68267	2.0
69.68640	0.8
71.01380	1.1
72.30170	0.3
72.99304	1.1
75.02264	0.4
75.69288	0.4
82.00593	1.1
83.01389	1.5
86.00093	0.6
95.01384	0.4
95.05012	2.7
97.02971	0.4
99.00893	0.7
110.00110	1.3
111.00879	9.2
123.00861	1.1
124.00740	0.6
124.01660	11.3
127.00371	3.0
136.98805	6.4
139.00365	8.6
139.04048	0.5
140.01155	13.5
141.01508	0.4
141.45699	0.4
144.64665	0.4
151.00415	0.7
154.99811	1.3
168.00639	16.6
169.00926	0.6
183.02974	100.0
184.03296	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	183.0661
Annotation	2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate
Peak:m/z	Relative Intensity
54.29804	0.3
54.90836	0.3
56.01846	0.3
59.01376	15.3
67.01881	1.3
69.03453	100.0
69.25224	0.4
69.25454	0.8
69.25858	2.1
70.03790	1.1
71.05022	0.7
84.89490	0.4
95.05023	20.0
96.05357	0.7
97.02979	0.5
106.22195	0.3
111.08124	0.8
113.02466	0.8
121.06590	0.8
123.04552	1.8
139.04005	1.1
139.07672	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	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03440	0.7
58.00591	0.2
59.01380	3.4
63.02387	0.2
65.03966	0.2
68.14603	0.1
68.99825	0.3
69.03432	1.0
71.01379	5.2
72.99310	0.2
73.02942	2.2
75.00880	0.6
78.95910	0.2
79.01891	0.2
81.03471	0.4
83.01390	1.3
85.02946	4.0
87.00871	18.6
88.01182	0.2
89.02420	1.3
89.03966	0.5
91.05531	0.7
95.01366	0.5
95.05016	0.2
97.02943	1.6
99.00877	4.5
101.02429	1.9
106.04242	0.4
107.01410	0.3
107.05034	2.4
108.02123	0.3
109.02955	0.5
111.00855	0.3
113.02446	0.8
117.01934	3.2
117.03423	0.9
123.00849	0.2
125.02439	2.6
129.01930	0.5
134.03738	7.9
135.04518	100.0
136.04845	3.2
139.85966	0.2
141.01892	1.5
151.00348	0.2
151.04054	0.3
159.02994	1.2
161.04539	9.9
162.04863	0.3
164.01149	0.2
164.04721	0.2
177.04036	0.4
179.00020	0.5
179.03497	13.6
179.05606	10.5
180.03859	0.5
180.06013	0.2
180.08221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
55.01874	3.4
57.03439	3.3
58.00589	4.3
59.01377	59.3
61.30104	1.2
69.03448	5.2
70.64135	1.5
70.64482	3.4
71.01382	57.1
71.05019	2.3
72.99307	11.5
73.02952	17.2
75.00871	92.7
78.95908	9.7
81.01871	1.3
81.03455	7.5
83.01376	9.5
85.02946	28.5
86.92548	1.3
87.00874	100.0
89.02444	22.1
95.01395	3.4
97.02944	9.8
99.00873	32.0
99.04517	2.7
101.02428	12.5
101.34401	1.3
110.21407	1.3
113.02451	5.0
117.01936	16.4
119.03524	1.4
125.02446	13.7
129.01938	3.1
131.03517	4.6
135.04463	1.7
136.93950	4.6
141.01941	7.1
143.03485	10.6
144.09424	1.5
159.02968	6.2
161.04553	62.0
177.04034	2.5
178.96193	2.2
179.05597	99.5
180.05978	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	179.0345
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.23492	0.3
55.01867	0.6
57.03451	0.3
59.01378	3.5
65.91429	0.3
69.03454	0.9
69.45739	0.7
69.46146	1.7
71.01379	4.3
73.02931	2.0
75.00877	0.5
78.95906	0.4
79.01885	0.4
81.03481	0.3
83.01386	1.4
85.02946	4.0
87.00874	18.4
88.01229	0.4
89.02439	1.0
89.03969	0.9
91.05537	0.8
93.03436	0.4
95.01395	0.5
97.02979	1.4
99.00879	4.4
101.02441	2.1
106.04250	0.9
107.05009	3.5
108.02161	0.6
113.02441	0.9
117.01933	3.1
117.03441	1.6
121.02913	0.4
125.02460	2.4
129.01939	0.4
133.02986	0.4
134.03741	15.7
135.04523	100.0
136.04837	3.2
141.01958	1.7
147.02849	0.3
151.00429	0.3
159.02997	1.0
159.35539	0.3
161.04550	10.6
161.05898	0.5
161.56157	0.3
177.04066	0.4
179.03496	11.7
179.05615	10.9
179.07182	0.4
180.03725	0.5
180.05905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0346
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.10892	0.2
55.11184	0.2
59.01376	1.9
61.42740	0.2
62.14619	0.2
63.02388	0.6
69.03448	0.6
70.77711	0.4
70.78043	0.5
71.01377	2.4
73.02941	1.2
74.51721	0.2
79.01889	0.3
83.01385	0.7
85.02945	2.2
87.00334	0.5
87.00875	8.6
89.02440	0.9
89.03965	0.7
91.05534	0.9
95.01371	0.3
97.02965	0.6
97.43415	0.2
99.00874	2.5
101.02437	0.9
106.04218	0.5
107.01372	0.6
107.05021	2.9
108.02132	0.3
113.02419	0.4
117.01923	1.6
117.03410	1.1
125.02454	1.4
134.02725	0.5
134.03743	9.5
135.04518	100.0
136.04855	3.4
141.01926	0.5
147.01761	0.2
147.88947	0.2
151.00407	1.1
159.02968	0.2
161.04526	4.7
178.99873	0.8
179.03494	12.9
179.05611	4.5
180.03830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0978
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
57.03455	1.4
58.00584	0.3
58.02970	1.5
59.01384	1.7
60.99305	0.8
61.41856	0.3
67.01887	10.8
69.03465	2.2
69.47666	1.3
69.48083	0.7
71.01380	3.3
72.99303	0.6
73.02947	0.9
81.03466	1.4
82.06635	0.4
83.05027	1.0
85.02972	0.4
93.03454	42.9
99.00881	0.7
99.04552	0.5
109.02945	1.0
110.54914	0.3
111.00863	1.4
111.04517	5.1
113.57258	0.3
128.07976	1.1
128.10805	2.7
130.08730	100.0
131.09085	2.9
137.02441	0.8
144.04549	0.4
150.95627	0.3
155.03476	1.1
172.06253	0.3
172.09753	11.5
173.04535	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	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00299	2.8
55.01875	8.4
57.03428	3.7
59.01374	7.9
60.99308	2.3
61.22129	1.0
67.01888	14.3
67.80705	1.0
68.99812	3.1
69.03447	1.5
70.14469	0.9
70.57467	3.1
71.01381	100.0
72.99311	6.3
73.02937	5.7
80.99790	2.6
83.01385	8.9
83.05019	1.4
85.02946	2.4
87.00866	3.5
93.03460	52.5
96.99312	4.7
99.00879	40.2
111.00884	2.6
111.04510	4.9
112.98074	1.9
112.98811	24.6
112.99927	2.0
115.00372	4.2
124.98810	39.5
129.01935	1.7
139.17776	1.0
140.98257	1.1
142.99860	77.4
144.00169	2.1
154.99840	2.6
173.00914	13.9
173.04604	5.0
173.05840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51893	0.2
71.04447	0.7
73.89678	0.3
76.26201	0.2
77.03969	1.4
77.92905	0.2
81.03450	2.4
87.00856	0.3
89.03970	9.2
90.04321	0.4
90.26403	0.3
93.03471	1.8
95.05016	1.3
105.03458	14.7
106.03797	0.4
107.01406	1.2
109.02922	0.7
121.02977	1.6
123.04515	0.3
133.02956	29.3
134.03290	1.1
139.04002	0.9
149.02431	4.4
162.03236	1.1
177.01923	100.0
178.02255	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
69.46918	1.4
69.47325	0.5
71.01359	0.3
83.01351	0.2
85.02975	0.2
87.00896	1.0
88.85835	0.2
119.92972	0.2
119.93647	1.1
134.96092	54.2
135.96159	2.8
136.94011	100.0
137.94095	5.7
138.94536	0.3
151.92722	18.4
152.92821	1.0
161.04552	0.5
175.93266	0.2
178.95058	61.7
179.05611	0.8
179.95163	3.6
196.96130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallic acid
Peak:m/z	Relative Intensity
55.43626	0.3
57.03447	0.4
61.50504	0.2
65.00326	0.4
67.01886	1.1
68.99821	0.3
69.03452	5.7
69.03813	0.4
69.36732	1.4
69.37138	0.5
71.01384	2.0
79.01887	2.5
80.72688	0.3
80.96507	0.6
81.03458	2.1
83.01384	0.9
85.02938	0.6
95.01386	1.3
97.02953	4.5
107.01375	1.2
107.87699	0.2
108.02187	0.4
113.02448	0.5
123.00897	0.7
124.01670	1.9
125.02443	100.0
126.02769	3.1
150.97069	1.3
151.00328	0.7
151.03912	0.3
168.98383	1.2
169.01418	27.6
170.01761	1.2
172.46523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
50.22481	0.4
50.68119	0.5
69.17163	2.2
69.17597	3.0
71.95912	0.4
72.80400	0.5
73.69163	0.5
97.06593	0.6
98.20669	1.1
99.08152	0.7
123.08155	0.7
125.09711	3.2
127.02868	1.1
127.07649	11.8
127.11291	5.9
130.08727	0.5
148.68037	0.5
153.09212	1.3
171.01962	2.2
171.10265	100.0
171.13911	2.0
172.10597	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57833	0.4
56.08971	0.3
58.02974	100.0
58.82527	0.4
59.03318	0.9
60.53469	0.5
61.30475	0.4
67.01910	0.5
69.03448	2.5
79.01901	1.1
81.03434	0.4
84.23090	0.4
95.01392	0.5
97.02930	2.0
110.96383	0.4
122.46150	0.5
124.01694	1.1
125.02444	45.2
148.24982	0.4
151.11368	0.6
168.13908	6.8
169.01418	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	169.014
Annotation	Gallic acid
Peak:m/z	Relative Intensity
51.76753	0.3
57.03420	0.3
65.00335	0.3
67.01881	1.1
67.87238	0.3
69.03455	5.2
69.96186	0.9
71.01377	0.4
79.01871	1.6
81.03461	1.8
81.07130	0.3
83.01384	0.6
95.01390	1.0
95.30095	0.3
97.02949	4.4
107.01385	29.3
107.05015	0.7
108.01723	0.5
121.02885	0.5
123.00858	0.8
124.01711	1.5
124.02505	0.3
125.02441	100.0
125.09748	0.3
126.02778	3.2
139.00316	0.3
150.37592	0.3
169.01411	25.8
169.08752	0.3
170.01765	1.2
182.06860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
59.01379	100.0
60.01675	1.1
66.52827	1.0
71.02206	2.0
100.04383	0.7
109.75888	0.7
121.02956	8.5
137.02380	1.0
165.01888	0.9
165.05521	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	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.73513	0.9
69.81487	1.0
70.25879	3.7
71.01365	3.2
72.99298	4.5
73.02972	1.3
75.00871	39.2
77.03961	1.2
87.00876	27.0
89.02435	1.3
99.00859	4.6
103.11012	1.0
105.01929	23.1
121.02953	27.9
122.03271	1.5
129.01945	2.8
137.02371	1.5
146.99837	1.0
147.02979	2.5
158.51286	1.1
164.89539	3.1
165.01932	2.1
165.04056	24.1
165.05489	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	167.0714
Annotation	3,4-Dimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
59.01369	1.6
59.90576	0.5
65.00299	0.6
67.01894	2.7
68.99815	0.8
69.03454	40.0
70.03796	0.6
71.01369	1.1
71.52572	1.0
77.22787	0.5
78.95900	0.8
79.01864	2.4
80.02673	0.8
81.03452	1.2
83.05032	0.9
85.02910	0.5
91.01911	0.8
91.96680	0.6
93.03455	2.2
95.01369	1.6
95.05027	4.5
97.02946	100.0
98.03293	2.0
105.03452	1.8
108.02169	14.9
109.02987	0.9
111.04516	1.1
119.05061	0.7
121.02947	8.5
121.06586	1.4
122.03684	0.7
123.00896	1.7
123.04521	52.0
123.08150	1.6
124.01659	1.1
124.04861	1.7
125.02470	2.7
125.06127	0.5
137.02536	0.5
137.06021	0.7
139.00389	0.7
139.04010	1.2
139.07668	0.7
149.02414	1.7
149.06065	1.9
152.01152	20.9
153.01465	0.7
167.00076	0.5
167.02145	1.0
167.03487	10.8
167.05986	0.6
167.07169	5.1
170.85463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
59.01382	5.7
72.99307	37.1
73.01760	0.5
75.00868	0.7
77.03954	0.7
91.05559	1.8
93.03468	1.5
101.03957	2.6
103.05535	5.6
107.23863	0.5
117.03474	1.1
119.05022	41.9
120.05362	1.4
121.02954	12.5
121.03767	1.0
121.06571	0.8
128.95784	0.5
130.86591	0.6
137.02440	1.9
138.04419	0.5
147.04518	100.0
148.04836	4.0
150.03235	1.5
159.78464	0.5
165.01888	3.1
165.05556	27.2
166.05908	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	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
81.69582	0.7
98.20767	1.3
121.02959	13.8
137.02406	2.8
146.44807	0.8
150.03203	1.1
161.86078	0.9
165.01918	3.3
165.05556	5.2
165.46266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.62034	0.4
58.17405	0.4
59.01377	9.6
65.33063	0.4
72.00907	39.7
73.01238	0.4
75.00861	1.1
77.03951	0.7
87.00891	0.7
91.05537	1.7
93.03455	1.7
103.05522	3.9
105.01935	0.8
118.06646	1.0
119.05008	3.6
120.04603	0.7
120.05352	4.3
121.02950	17.0
121.06611	0.7
123.04589	0.5
124.01656	0.6
135.04500	1.0
137.02412	2.3
146.06088	0.8
147.04514	100.0
148.04866	4.6
149.00983	0.6
149.02318	0.4
150.03185	1.0
161.02451	1.3
164.07158	43.3
165.01932	3.2
165.04089	0.9
165.05573	1.6
165.07497	1.4
165.99657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62034	0.4
58.17405	0.4
59.01377	9.6
65.33063	0.4
72.00907	39.7
73.01238	0.4
75.00861	1.1
77.03951	0.7
87.00891	0.7
91.05537	1.7
93.03455	1.7
103.05522	3.9
105.01935	0.8
118.06646	1.0
119.05008	3.6
120.04603	0.7
120.05352	4.3
121.02950	17.0
121.06611	0.7
123.04589	0.5
124.01656	0.6
135.04500	1.0
137.02412	2.3
146.06088	0.8
147.04514	100.0
148.04866	4.6
149.00983	0.6
149.02318	0.4
150.03185	1.0
161.02451	1.3
164.07158	43.3
165.01932	3.2
165.04089	0.9
165.05573	1.6
165.07497	1.4
165.99657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
55.40601	0.2
59.01381	1.3
65.00322	0.4
65.03967	0.5
67.01893	3.0
68.99828	2.0
69.03452	4.7
69.72259	1.1
69.72659	0.6
75.00886	0.5
77.03968	8.5
79.01888	2.0
83.01385	11.7
87.00889	0.3
92.99896	0.3
93.03455	12.3
94.03793	0.4
95.01379	1.9
97.02947	14.9
105.01935	0.4
109.02953	7.4
119.05021	0.4
121.02956	35.7
121.06596	0.6
122.03321	1.0
123.00895	1.1
137.02443	100.0
138.02779	2.9
139.03978	0.7
141.01926	0.4
147.04485	0.5
149.00932	0.4
150.03206	1.6
164.01218	0.4
165.01927	78.1
165.05605	1.2
166.02278	3.1
166.05072	0.8
182.41652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
53.16385	0.7
55.01869	2.4
57.03431	2.4
57.03704	0.8
59.01374	12.9
59.21430	0.7
60.36878	0.8
67.24191	0.7
69.56016	4.9
71.01385	8.4
72.99310	11.9
73.02942	2.3
75.00869	100.0
76.01221	1.8
85.02962	1.8
87.00874	72.1
88.01206	1.6
89.02430	4.2
94.52702	0.7
98.14241	0.7
99.00883	11.9
101.02443	4.2
105.01931	55.4
106.02265	0.8
109.02959	0.8
117.01935	2.5
119.03490	1.1
121.02982	1.3
129.01938	13.3
135.02972	1.0
147.03020	7.8
165.04036	57.9
166.04398	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	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
55.47719	0.9
57.03458	1.3
59.01379	24.3
60.18287	0.8
67.05531	3.2
68.99792	1.3
69.03449	1.9
71.01379	19.5
73.79573	1.1
78.17612	1.0
83.05035	2.1
87.00842	1.0
93.07108	1.8
99.00874	2.0
109.06596	9.7
111.08185	6.7
113.06075	1.2
113.09711	1.3
121.06604	1.6
127.00375	10.0
127.07657	47.1
128.08058	2.4
134.53986	1.1
139.07654	34.3
140.07982	1.7
155.07030	1.1
157.01456	2.4
157.08702	100.0
157.12241	6.5
158.09056	3.8
162.42676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0241
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
50.30796	0.3
57.03446	1.1
59.01375	4.4
60.54515	0.4
69.76859	1.2
69.77271	1.0
71.01378	4.2
71.84959	0.4
72.39533	0.4
72.99312	0.4
73.02950	2.4
77.03954	1.0
81.03475	0.4
83.01391	1.6
85.02951	5.2
87.00883	1.1
89.02458	1.3
89.04005	0.9
95.05009	0.7
97.02943	0.8
98.20567	0.4
99.00892	0.5
104.02695	1.0
105.03460	3.1
113.02448	0.4
115.01890	1.4
128.74031	0.4
131.03494	2.3
132.02174	10.8
133.02954	100.0
134.03296	4.2
161.02437	62.3
161.04375	5.3
162.02841	2.1
168.95924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.20942	0.3
55.27336	0.3
57.03446	1.2
59.01378	4.8
69.03458	0.4
69.67469	0.6
69.67867	1.0
71.01375	4.3
72.99313	0.8
73.02937	2.4
77.03985	0.9
81.03457	0.9
83.01372	1.6
85.02948	7.0
87.00889	0.8
87.37202	0.3
88.29343	0.3
89.02454	1.3
89.03982	0.8
95.05042	0.4
97.02964	0.7
97.82045	0.3
101.02434	0.8
104.02694	0.9
105.03474	2.2
113.02451	0.4
115.01928	1.4
125.02395	0.4
131.03488	2.5
131.16193	0.3
132.02168	10.6
133.02951	100.0
134.03290	4.1
139.56851	0.3
161.02434	58.9
161.04369	4.2
162.02815	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	161.0243
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
56.58650	0.2
59.01377	1.2
59.42066	0.2
70.23100	0.6
70.23496	0.6
71.01385	0.7
73.02976	0.4
77.03968	1.1
81.58423	0.2
85.02934	1.2
89.03993	0.8
94.82586	0.3
95.05004	0.3
104.02699	1.0
105.03449	2.7
109.14424	0.2
115.01894	1.4
131.03481	0.4
132.02173	11.9
133.02956	100.0
134.03270	3.7
143.46944	0.2
160.01624	0.4
161.02435	59.8
162.02782	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	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75999	0.2
53.32231	0.2
55.01879	0.6
57.03440	1.6
58.00595	0.4
59.01375	7.2
65.00329	0.2
69.03098	0.2
69.03458	0.8
71.01379	6.8
71.03831	0.4
72.99305	1.0
73.02942	3.9
74.53204	0.2
75.00872	0.4
77.03973	1.2
81.03458	1.5
83.01379	2.1
84.02195	0.2
85.02946	9.0
87.00867	1.2
89.02441	1.8
89.03953	0.9
89.56309	0.2
95.05025	0.4
97.02946	0.8
99.00884	0.3
99.04539	0.6
101.02419	1.0
103.03963	0.2
104.02667	0.9
105.03459	3.0
107.01334	0.2
113.02467	0.7
115.01875	1.5
115.04024	0.3
117.03516	0.4
123.04545	0.4
125.02451	0.3
129.01939	0.3
131.03499	3.7
132.02168	11.6
133.02951	100.0
134.03281	3.6
143.03525	0.3
160.01744	0.3
161.02434	59.8
161.04401	6.5
162.02840	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	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
54.27880	0.3
59.01380	1.0
62.74066	0.3
69.46680	1.9
69.47077	0.7
71.01395	1.2
73.02937	0.3
77.03984	1.6
85.02955	1.4
89.03974	1.1
95.05040	0.3
104.02692	0.8
105.03465	3.1
113.02495	0.3
115.01878	1.7
117.03460	0.4
131.03505	0.6
132.02170	12.1
132.66994	0.4
133.02953	100.0
134.03276	3.4
160.01588	0.4
161.02434	58.8
162.02805	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	163.1116
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01366	1.1
61.03696	0.9
75.26093	0.9
98.20695	1.7
101.02433	1.8
107.05021	1.7
116.92083	3.7
117.91848	1.0
118.03268	0.9
119.05025	29.1
147.08174	1.9
162.83878	2.2
162.89325	0.9
163.00330	4.0
163.03970	1.3
163.06117	1.4
163.11282	100.0
164.11615	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01379	16.3
60.97321	0.6
63.02419	0.6
64.35088	0.6
71.01383	0.7
71.53111	1.0
72.00906	44.2
72.55431	0.5
75.00880	2.3
77.03980	1.2
78.95914	1.3
81.03476	0.8
83.33580	0.7
87.00880	3.4
91.05529	2.9
92.05087	0.8
92.99840	0.8
93.03442	3.4
97.77657	0.6
99.00883	0.7
102.76637	0.6
103.05521	4.4
105.01929	1.8
109.02928	1.3
119.05027	3.6
120.05360	7.2
121.02953	25.0
121.06582	1.4
135.04433	0.8
137.02444	2.8
147.04514	100.0
148.04861	4.5
149.01080	0.7
149.02371	0.9
149.84090	0.6
150.03232	11.3
164.07158	40.7
165.01944	3.8
165.04019	1.9
165.05533	3.0
165.07457	1.8
166.90080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
51.57740	0.1
53.92108	0.2
54.11592	0.2
56.32518	0.2
58.77407	0.2
65.03960	0.5
67.53940	0.2
69.59503	0.9
80.02679	0.2
81.03447	1.9
91.01888	1.3
91.02346	0.1
107.01407	0.2
108.02167	7.4
109.02946	100.0
110.00057	0.3
110.03287	3.5
123.04558	0.2
125.02453	0.5
128.45949	0.2
137.99582	0.3
138.03203	0.2
151.00345	0.3
153.01927	13.3
153.05553	0.7
154.02312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
65.00313	0.9
65.03957	0.5
66.03497	0.5
68.99815	0.6
69.03462	1.1
71.05008	0.7
71.52526	0.3
78.95905	0.4
80.96543	0.5
81.03447	3.5
81.07110	0.6
82.02985	0.9
83.01395	0.7
83.05044	0.8
85.02966	0.7
91.01900	1.0
95.01395	0.5
95.05052	0.4
97.02956	0.7
97.06586	5.8
99.08164	2.0
107.01395	0.6
108.02172	8.6
109.02949	100.0
109.06574	2.0
110.00095	1.6
110.02550	0.7
110.03287	5.1
111.04588	0.3
123.00928	0.8
123.04505	1.1
124.01665	0.4
124.04046	0.5
125.02470	2.1
126.62576	0.4
135.04541	1.6
136.04004	0.3
136.28697	0.4
137.09721	0.8
137.99564	1.7
138.03236	2.3
138.59811	0.4
151.00375	1.1
153.01932	19.0
153.05573	6.1
153.12846	17.2
153.14111	0.7
153.86871	6.0
154.01357	0.8
154.02425	0.7
154.13202	1.3
160.70747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
59.26062	0.7
65.00316	2.9
71.01411	1.0
71.30976	1.3
75.00865	4.7
75.02380	3.3
75.20112	0.9
83.97357	0.9
91.01891	84.9
92.02211	2.6
92.02704	1.9
93.03455	40.4
94.03814	1.0
95.01375	3.8
105.60069	0.8
107.05029	9.8
108.02191	5.0
108.02832	0.9
119.01389	24.3
121.02951	46.9
121.16014	0.9
122.03255	1.5
123.04459	1.8
133.02924	2.5
136.01657	9.5
149.02498	1.6
151.04001	100.0
152.04379	4.0
164.56125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
55.88325	0.3
65.03958	0.4
66.03483	2.3
68.99819	0.3
72.80452	0.3
76.72703	0.3
80.96526	0.6
81.03462	1.4
91.01894	0.5
94.74574	0.3
95.01369	0.5
97.02935	0.5
98.06873	0.3
107.01439	0.4
108.02173	3.9
108.04545	1.4
109.02951	39.1
109.06606	0.9
110.00066	0.6
121.02939	1.4
122.03738	44.3
123.04127	1.1
124.03987	0.3
125.02447	1.3
127.07652	0.3
135.04527	0.9
137.02034	0.7
137.99583	0.6
138.03264	1.7
151.00319	0.5
152.03526	100.0
152.11636	0.4
153.01965	7.3
153.03870	4.1
153.05566	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.67299	5.7
57.03454	9.6
57.97630	6.4
59.01367	42.7
61.98835	65.7
70.86376	5.8
71.01379	74.2
71.05025	6.6
71.53217	6.3
72.38881	5.6
72.99303	9.7
75.00877	54.0
75.02409	7.5
76.00892	6.1
84.99315	16.7
87.00874	16.2
89.02448	10.8
97.43000	7.6
99.00877	24.6
103.04054	6.9
119.04996	29.7
135.60547	7.6
147.02986	14.3
147.04489	100.0
148.03940	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	149.0455
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
50.23314	2.3
55.01876	4.2
57.03454	3.9
58.00595	3.5
59.01377	63.8
67.40157	2.4
69.03458	7.1
71.01384	38.5
71.50861	2.6
72.14703	2.0
72.99308	15.4
73.02946	39.1
75.00871	52.5
83.01392	4.8
85.02940	14.3
85.89874	2.1
87.00885	15.1
89.02446	100.0
89.29394	2.2
101.02435	3.4
103.04016	9.5
120.51277	2.5
129.01938	3.9
131.03508	23.5
149.04558	58.5
150.04898	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	149.0608
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
54.33554	6.6
59.01377	10.9
65.03958	16.4
67.01880	69.2
69.03455	85.6
69.54520	32.3
71.01366	18.6
74.10880	7.0
87.00835	7.0
89.02424	14.5
93.03458	100.0
95.05018	11.9
105.03448	9.0
106.04235	17.9
106.74872	7.0
107.05023	8.0
108.02166	11.4
119.05014	56.0
121.02930	44.3
121.06598	43.9
134.03722	16.7
137.77084	6.8
139.03995	6.7
147.04517	41.2
149.02419	22.3
149.04575	8.9
149.04816	10.6
149.06067	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0607
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
51.02649	1.1
56.22069	1.2
59.01374	1.7
65.03963	6.8
67.01894	15.6
69.03450	9.5
69.73638	2.6
69.74052	4.1
71.01376	3.1
72.99319	2.3
78.04269	1.1
79.01907	1.9
81.03461	4.7
87.00838	2.0
89.02443	4.1
91.05538	1.9
93.03456	64.9
94.03796	3.4
95.05022	3.7
98.19920	2.6
101.03905	1.1
103.05549	1.8
105.03468	1.9
105.07122	1.6
106.04239	4.3
107.05035	4.7
119.05032	8.4
121.02956	63.3
121.06595	12.5
122.03288	2.7
131.05064	1.4
134.03709	7.5
138.27185	1.1
139.04004	100.0
140.04353	4.1
147.04521	7.0
148.05298	1.2
149.02429	78.8
149.06070	30.7
150.02786	5.9
150.06511	1.3
165.01898	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	139.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23029	1.4
59.07415	1.5
67.01887	42.6
69.03448	7.3
71.00824	3.0
71.01378	4.5
71.05013	47.9
72.05336	2.1
81.31567	2.0
83.01398	2.8
83.05044	2.8
90.11670	1.5
93.03465	2.1
95.05024	100.0
96.05334	4.4
109.06569	2.9
111.00890	4.7
111.08160	23.7
139.00328	1.9
139.04030	3.2
139.07637	51.7
140.07997	3.1
150.56876	1.7
155.28590	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30661	3.6
53.00309	28.2
56.99831	3.7
59.01376	8.1
65.88409	3.1
68.99813	9.2
69.64627	17.4
71.01385	59.8
78.45943	2.8
80.99819	9.3
85.02950	4.0
87.00867	13.8
90.23637	3.5
90.73518	3.4
90.83538	3.0
96.99297	31.7
111.00862	4.1
112.98798	44.9
115.00365	6.5
124.98803	78.4
125.02380	4.7
140.98296	11.4
142.99858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59132	2.9
52.45926	2.8
53.00306	19.7
54.28676	2.5
59.01372	7.1
66.65770	3.1
66.82837	3.0
68.99783	4.9
71.01010	4.0
71.01379	46.9
71.26447	3.6
80.99817	8.8
82.30945	3.0
85.02963	4.0
87.00864	14.1
96.99318	28.9
98.45385	3.4
112.98802	39.5
124.98805	78.0
140.98251	10.4
142.99852	100.0
144.00195	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	143.0714
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
54.83560	1.6
59.01374	2.3
69.03453	2.7
69.18608	16.0
69.19025	4.0
71.01381	6.5
71.05024	2.0
72.63229	1.5
72.99305	75.3
81.03474	2.4
82.12382	1.8
83.01390	1.7
84.07635	2.0
85.02969	6.5
97.02942	2.4
97.06584	55.7
98.06951	2.5
105.65057	1.8
105.85739	1.7
117.64580	1.7
118.29201	1.8
119.46066	1.9
125.02420	4.0
125.06081	100.0
126.06420	7.1
143.03555	2.2
143.07121	24.4
148.88921	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
55.17397	0.7
69.03461	1.8
69.37234	2.6
69.37677	2.5
71.01378	0.8
83.05023	11.3
97.06574	1.0
99.08156	100.0
100.08486	4.6
101.06078	1.2
117.03455	7.4
127.07640	2.6
145.02968	3.6
145.08705	33.9
146.02458	2.6
146.09050	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	139.0764
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
55.01866	2.8
55.72062	1.5
67.01887	44.3
68.99815	1.9
69.03450	5.9
70.69273	3.4
71.01385	2.0
71.05020	50.3
79.95744	2.0
83.01401	1.9
83.05007	2.4
86.33337	1.6
94.98080	4.5
95.05025	100.0
96.05354	6.2
97.02962	1.6
109.06581	2.1
111.00894	9.4
111.04498	2.7
111.08150	20.8
120.34981	1.6
121.02930	1.6
139.00374	5.4
139.04007	2.7
139.07648	55.0
139.08737	2.7
140.07961	4.6
145.76897	1.5
146.80070	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	139.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15936	1.3
52.12515	1.4
56.98034	1.6
67.01889	39.2
69.03452	5.3
69.36981	11.6
71.01377	3.3
71.05021	45.3
72.05345	1.7
76.16654	1.6
83.05049	1.9
93.03433	1.6
95.05028	100.0
96.05349	4.1
109.06597	2.2
111.00864	2.7
111.04485	2.0
111.08160	22.5
112.43778	1.5
139.07652	53.2
140.07991	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
57.03463	1.0
65.00314	1.0
69.44411	5.9
71.01382	4.8
77.03967	3.6
87.04498	1.0
89.03984	2.4
95.05030	2.3
104.02675	2.3
105.03489	6.5
115.00352	5.3
115.01895	4.3
132.02177	24.2
132.03171	1.6
133.02959	100.0
134.03304	4.4
134.04741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.13512	0.6
71.53395	0.8
75.00869	2.8
89.03962	1.9
91.05534	1.4
93.03428	1.2
95.04952	0.5
106.04245	1.6
107.05021	8.2
108.02182	1.8
117.03477	2.0
123.04539	0.6
134.03737	22.4
135.04518	100.0
136.01541	0.7
136.04857	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.12969	0.4
55.01846	0.6
67.01886	0.8
71.01832	0.6
71.02159	0.5
78.38110	0.4
83.01382	0.6
93.03465	0.6
94.03796	1.4
108.02171	85.2
109.02513	3.2
111.00903	2.2
138.01967	100.0
139.00417	0.7
139.02332	4.7
139.03996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0401
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
55.01878	30.5
55.71674	2.1
60.02409	2.2
67.01894	20.9
68.99789	3.9
69.03448	11.5
70.40606	2.1
71.05017	57.9
71.52793	3.1
71.53162	2.6
73.66640	2.2
77.34042	2.1
83.01382	9.5
87.78040	2.2
93.03453	2.7
94.98096	2.1
95.01417	2.8
95.05018	55.3
97.02947	100.0
98.03322	3.0
111.00879	41.4
111.08125	5.3
112.01231	2.6
112.89523	2.0
123.00859	6.7
124.01673	4.9
139.00375	22.9
139.02342	4.0
139.04007	83.0
139.07645	13.5
140.04384	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.80505	4.7
50.81079	5.2
53.46999	5.8
55.01867	17.3
57.03440	51.3
67.01884	100.0
68.99821	9.6
70.76598	17.0
71.01369	10.4
73.02914	7.2
78.15868	5.1
79.02583	5.3
80.44643	5.0
83.01375	8.4
85.02933	23.3
87.00874	6.1
98.11571	5.0
99.00836	6.4
102.99405	5.1
128.90144	14.0
129.01926	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	129.0557
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
54.77963	19.1
55.01838	19.6
55.16590	21.2
57.03425	39.6
63.88884	18.7
64.14982	17.9
67.01884	45.0
67.06816	16.5
70.10810	72.4
85.02938	73.3
88.77607	20.9
98.19889	20.9
101.02403	21.5
115.60597	18.0
128.90179	100.0
128.90950	18.1
129.01938	66.6
129.05562	85.0
130.08760	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03440	4.5
68.02236	1.2
69.03485	1.2
69.68803	7.3
72.39385	1.2
73.02956	2.9
85.02944	14.0
87.04510	10.6
88.14244	1.1
96.93849	1.2
98.20018	1.7
101.02452	1.4
113.02450	2.9
130.08739	100.0
131.03490	5.4
131.09058	4.4
138.89973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
53.76070	1.1
56.15628	1.1
56.43658	1.4
57.79096	1.2
60.17311	1.1
67.24980	1.1
71.00108	2.3
71.01378	87.5
72.99308	25.5
86.27657	1.1
87.00883	2.5
89.02456	9.2
98.20612	1.2
115.00369	100.0
116.00707	3.4
133.01421	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90518	1.2
71.01379	79.6
71.27202	1.9
72.01717	2.0
72.99308	22.5
87.00861	2.6
89.02447	8.7
96.78848	1.1
110.51495	1.0
115.00368	100.0
116.00718	2.3
132.02122	1.8
133.01436	20.5
133.02951	4.4
150.63533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.8
59.01373	8.4
69.03429	4.2
69.19852	31.6
69.20264	9.8
71.01376	9.8
76.72276	4.0
78.85709	3.9
80.96456	4.7
83.01395	10.6
83.82458	4.5
85.02966	12.0
99.00816	4.0
126.90443	100.0
127.00348	28.5
127.03991	18.1
127.07655	44.4
128.03513	45.1
128.07195	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	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01866	13.6
57.03450	49.7
59.57565	3.5
62.53888	4.3
63.43424	3.8
67.01889	100.0
68.99824	20.5
69.44382	32.5
71.01373	13.2
72.99310	13.7
73.02957	6.8
77.60147	5.0
80.17971	3.6
83.01370	9.3
85.02953	36.7
87.00883	10.3
87.28494	4.2
91.74363	4.0
93.02940	3.4
99.69471	3.8
101.02433	8.1
103.33755	4.6
129.01932	46.0
130.08716	7.5
144.78217	4.3
145.17622	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	123.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	2.5
66.52509	1.8
67.01893	24.8
68.99806	6.8
69.03456	24.0
71.01445	2.3
77.03964	2.7
79.01898	9.9
80.02693	3.4
81.03458	3.2
93.03471	12.9
95.01390	37.8
95.05020	25.1
95.71806	2.0
96.01723	2.3
98.20634	3.8
105.03447	5.3
108.02179	55.5
121.02961	9.8
123.00878	16.0
123.03623	5.1
123.04526	100.0
124.04836	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	123.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09272	2.1
54.61523	2.2
62.05886	2.2
67.01890	26.3
68.99812	5.6
69.03454	30.2
69.40909	17.1
71.01379	2.9
79.01888	10.2
80.02680	3.7
81.03483	4.4
90.31958	2.0
93.03445	16.8
95.01395	8.7
95.05022	31.5
98.20629	4.8
105.03470	6.8
108.02171	69.3
109.02491	2.6
121.02954	12.6
123.00855	3.7
123.04519	100.0
124.04886	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.16735	0.9
50.24041	0.8
56.11705	0.9
65.33331	0.7
66.03468	1.8
67.41313	0.8
69.24592	2.1
69.24998	5.2
89.77248	0.8
91.01904	1.5
93.03464	5.5
94.02972	5.3
108.02168	3.5
121.02954	100.0
122.02470	3.1
122.03291	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	123.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27180	2.2
54.00185	2.1
59.86176	2.3
65.03967	3.1
67.01894	29.7
68.99817	5.5
69.03457	30.2
70.21006	2.4
71.01369	3.8
79.01899	8.7
80.02663	4.5
81.03471	4.8
93.03461	16.3
95.01385	26.0
95.05032	28.8
97.82728	2.5
98.20655	8.1
105.03466	6.4
107.23734	2.2
108.02174	63.9
110.65838	2.6
121.02977	12.3
123.00883	10.2
123.04527	100.0
124.04871	6.6
128.10016	2.3
133.18941	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	1199.585
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05019	0.8
85.02947	16.1
87.00877	4.4
89.02448	0.5
90.18306	0.2
93.03455	10.2
94.03783	0.4
95.01379	0.8
97.02945	0.6
98.20667	0.6
99.00894	0.4
99.04516	0.8
101.02458	1.2
104.53544	0.2
105.03529	0.3
108.02171	0.6
109.02962	2.5
111.00925	0.3
111.04523	2.0
113.02428	0.4
116.85297	0.2
116.92785	0.3
121.03004	0.4
125.02443	0.8
127.04005	3.9
132.02193	0.8
133.02939	2.3
134.03732	0.5
135.04529	4.7
137.02419	0.6
146.03719	0.4
148.05269	0.9
150.03085	0.3
151.03943	0.4
155.03548	0.5
158.03726	0.3
159.04491	0.9
160.01727	1.3
160.05289	0.8
161.02487	0.5
171.03001	0.9
171.04478	0.7
172.05269	3.2
173.04521	2.2
173.06018	0.6
174.03210	1.0
174.06874	0.4
177.01915	0.8
178.02638	0.4
178.11336	0.3
179.03476	1.1
183.01236	0.8
183.04475	1.1
184.05385	0.3
185.02422	0.3
185.06061	0.8
186.03148	0.4
187.03963	1.4
187.07602	0.5
191.05595	80.9
192.05965	1.8
197.06006	1.2
198.06853	0.3
199.03999	7.9
200.04753	3.3
201.01901	0.2
201.05545	0.9
202.06310	0.9
204.04262	0.9
211.04057	1.2
211.07584	0.7
213.05557	1.1
214.06316	0.6
221.06537	0.4
226.02757	0.5
227.03476	21.2
228.04247	8.5
229.04579	0.5
232.03734	0.8
255.13985	0.6
255.23276	5.1
257.15448	3.5
267.13779	0.7
281.15417	1.9
283.13376	20.0
284.13739	1.0
285.14957	0.7
297.14941	0.4
299.16458	3.1
301.14551	2.3
307.13428	0.4
309.14926	7.2
310.15195	0.7
311.12860	5.8
311.16812	2.0
312.13568	0.3
312.17163	0.8
313.16556	0.4
317.17569	1.0
325.14420	5.7
326.15015	0.3
327.12271	2.5
327.15994	4.4
328.16187	0.5
329.14014	1.0
335.12997	0.4
343.15494	1.5
345.17102	0.8
351.07239	0.6
353.13904	18.8
354.14148	2.0
369.13696	0.3
371.14972	4.3
372.15182	0.5
427.17532	0.4
445.18433	0.3
589.23291	0.3
683.41754	0.3
725.27838	0.3
751.28015	0.6
769.29553	2.0
770.30615	0.3
822.26251	0.3
937.52435	0.3
963.49469	5.7
964.49323	1.2
965.51715	0.5
979.52496	0.3
981.54388	2.3
982.54315	0.5
989.50488	1.8
1007.52142	100.0
1008.52429	21.7
1025.53284	5.9
1026.53809	1.1
1181.57813	3.6
1182.57544	1.1
1199.58447	46.6
1200.58691	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01373	0.8
71.01380	0.7
71.52917	0.4
91.05521	1.5
93.03465	5.0
98.93346	0.5
99.67387	0.4
101.92433	1.1
107.21846	0.4
117.03458	1.0
118.92675	2.9
119.05028	100.0
120.05356	6.9
135.09122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1199.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05019	0.6
85.02944	14.8
87.00880	2.9
89.02453	0.5
93.03455	7.1
95.01376	0.5
97.02977	0.3
99.04519	0.8
101.02454	1.0
108.02161	0.3
109.02943	2.0
111.04519	2.1
113.02433	0.7
125.02426	0.6
127.04007	3.6
135.04529	0.3
137.02435	0.3
143.03551	0.3
143.05035	0.3
144.05826	0.2
155.03433	0.3
156.05742	0.2
158.03763	0.2
159.04549	1.1
160.05344	0.5
161.02463	0.4
171.02972	1.0
171.04520	0.7
172.05298	3.9
173.04518	1.6
173.06012	1.0
174.03200	0.5
182.03751	0.2
183.01147	1.4
183.04500	0.9
184.01567	0.3
185.05998	1.1
186.03212	0.2
186.06845	0.4
187.04059	1.7
188.04706	0.3
191.05594	78.8
192.05923	1.8
197.02866	0.2
197.06004	1.2
198.03201	0.3
198.06900	0.3
199.03983	7.6
199.07402	0.3
200.04732	3.0
201.05531	0.9
202.06337	0.7
204.04306	1.2
208.26849	0.2
209.11844	0.3
210.03105	0.5
211.03964	1.2
211.07593	0.5
212.04633	0.3
213.05531	0.8
214.06332	0.7
221.06569	0.8
224.04828	0.4
226.02742	0.6
227.03474	24.7
228.04234	10.7
229.04701	0.8
232.03726	0.9
238.06473	0.3
239.14346	0.4
241.12259	0.2
242.05803	0.2
246.05186	0.4
255.06541	0.2
255.13843	0.7
255.23256	3.9
257.15536	0.3
265.16019	0.3
267.13852	0.8
269.12027	0.2
281.15417	0.6
283.13379	25.3
284.13687	2.0
285.15021	0.4
297.15091	0.9
299.16440	0.4
301.14468	3.7
302.14694	0.2
307.13434	0.5
309.14896	7.3
310.15320	0.6
311.12866	8.6
311.16840	3.2
312.13205	0.6
312.17209	1.7
313.16653	1.0
325.14380	3.4
326.14932	0.3
327.12344	4.2
327.16031	4.2
328.12637	0.4
328.16037	0.4
329.13925	1.7
335.12878	0.7
336.67139	0.2
343.15530	0.6
345.13321	0.6
345.17093	0.5
353.13904	20.9
354.14243	1.5
371.14966	4.0
372.15271	0.5
445.18869	0.2
471.34528	0.3
707.25964	0.4
725.27087	0.6
751.28381	0.9
769.29181	2.4
770.29663	0.5
937.52124	0.8
963.49908	9.2
964.49884	1.6
965.51001	1.1
966.53265	0.3
979.52692	0.7
981.53650	2.3
982.53186	0.4
989.51141	1.7
1007.52142	100.0
1008.52448	19.7
1025.53149	7.6
1026.53552	1.3
1154.20435	0.3
1155.55750	0.2
1181.57239	2.0
1182.57861	0.5
1199.58435	28.1
1200.58984	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	1189.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01347	0.3
83.05019	1.1
85.02947	15.2
86.03260	0.4
87.00871	4.4
89.02460	1.2
93.03452	17.4
95.01393	1.0
97.02939	0.4
97.35338	0.3
97.70693	0.3
99.00861	0.6
99.04516	0.9
101.02437	2.1
107.05014	0.3
108.02148	0.8
109.02937	3.1
111.00934	0.3
111.04521	3.0
113.02436	1.2
119.03517	0.5
121.02955	0.5
123.00874	0.5
123.04529	0.6
125.02451	1.3
127.04005	3.6
129.01909	0.5
132.02209	0.3
133.02956	1.5
134.03725	1.2
135.04520	2.5
136.01637	1.0
137.02441	19.4
138.02747	0.3
139.03990	0.3
143.03510	0.3
146.03712	0.4
147.04451	0.5
149.02388	0.6
150.03264	0.6
151.04008	0.7
153.01956	0.5
155.03481	0.6
158.03651	0.3
159.04509	2.5
160.01537	0.3
161.02461	0.8
161.06015	0.5
161.13370	0.3
162.03203	0.3
163.03978	0.7
163.11311	0.4
165.01910	3.1
165.05591	0.6
166.02702	0.8
169.01372	0.8
169.26227	0.3
171.02957	1.2
172.05324	0.7
173.04546	4.3
173.06046	0.8
174.03192	0.9
174.04575	0.3
174.06857	0.3
175.03979	1.1
176.04784	0.6
177.01892	0.4
179.03461	1.6
180.04323	1.4
181.05064	0.7
185.06155	0.3
187.03992	3.6
187.07596	0.6
187.11227	1.3
188.04861	1.5
189.05664	0.4
191.05600	100.0
192.05951	2.6
195.06602	2.4
197.06102	1.3
198.06888	0.8
199.04005	0.5
200.04868	0.4
201.05663	0.4
201.11211	0.3
202.02776	0.4
202.06342	0.5
205.12294	0.9
207.06670	0.4
209.08372	0.4
209.11818	7.5
210.12048	0.3
211.03935	0.3
211.13411	0.4
215.23425	0.3
225.07663	0.8
225.14937	2.8
227.03505	0.8
227.12852	0.5
228.04247	0.5
229.01575	0.3
249.04001	0.3
249.11444	0.5
251.12886	0.9
257.15576	0.5
271.16812	0.4
275.01910	0.6
281.15585	0.6
283.13422	2.5
283.16611	0.4
297.14935	0.3
299.16507	3.6
300.99872	1.0
301.14474	0.9
309.14923	3.8
310.15347	0.4
311.12869	0.6
311.15982	0.3
315.12372	0.3
317.17599	0.7
325.14511	1.1
327.12143	0.7
327.15952	9.0
328.16226	0.7
329.13702	0.4
343.15405	0.4
345.13477	0.4
345.17007	1.6
353.13922	2.3
359.14960	1.5
371.14767	1.4
389.16220	0.4
393.15366	1.2
397.13263	0.7
415.14340	0.3
424.04178	0.3
449.14435	4.7
522.61505	0.3
549.21393	0.4
553.11902	0.3
567.21613	1.2
573.21643	0.3
597.23590	1.0
601.22742	0.3
615.24225	2.2
616.24304	0.5
743.30780	0.4
769.29016	0.6
811.06561	0.3
841.39087	0.4
877.39679	1.3
935.41907	0.7
953.43433	4.3
954.43854	0.5
961.39453	0.5
979.41681	8.0
980.41077	1.3
991.38153	0.4
997.42706	4.7
998.42963	0.7
1009.40894	4.4
1010.41187	0.9
1015.43597	0.6
1051.46069	29.0
1052.46191	4.9
1052.67432	0.3
1153.47839	0.8
1171.48047	9.1
1172.48889	2.2
1189.49023	55.9
1190.49316	12.0
1190.76172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.7774
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02971	0.2
87.00890	0.1
87.66705	0.1
89.02438	0.1
93.65623	0.1
97.02941	0.3
99.00873	0.2
101.02431	0.4
109.06586	1.4
113.02433	0.2
121.06572	0.1
133.05031	0.1
135.08167	0.2
161.04518	0.2
163.11272	0.9
179.10680	0.1
181.12294	0.2
189.09187	0.5
192.74081	0.1
207.10245	8.4
208.10609	0.3
209.11740	0.1
225.11292	2.2
235.08200	1.2
253.09283	2.1
254.09612	0.1
255.23346	0.1
277.21698	16.1
278.22015	0.9
281.14026	0.1
299.14975	0.1
425.18082	0.2
441.33737	0.2
443.19095	1.0
455.35257	100.0
456.35608	10.7
461.20221	0.6
467.31369	0.1
513.30695	1.0
514.31177	0.1
559.37183	0.1
703.40741	1.0
704.40930	0.2
721.41638	11.6
722.41895	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	1179.246
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02946	21.6
87.00864	5.4
89.18027	2.0
93.03456	17.4
95.01366	3.9
109.02967	3.3
110.02214	2.0
111.04522	4.6
115.00386	3.7
123.00875	3.7
125.02438	9.6
127.04040	4.6
129.41620	2.0
133.02934	2.3
135.04526	8.0
137.02431	3.2
141.01982	2.7
155.03590	2.7
161.02408	8.5
169.01465	9.8
169.02708	2.1
173.04527	16.1
177.01920	2.5
179.03410	4.2
185.02350	2.3
187.00317	2.5
191.05594	100.0
192.05933	3.8
201.01920	3.1
201.05550	8.3
213.01997	3.3
225.01877	3.9
227.03503	29.2
229.01367	3.1
231.03017	3.7
241.06744	2.4
245.00980	2.9
249.03859	3.2
253.01434	8.5
263.03674	2.9
264.04224	2.7
265.04941	2.4
268.86029	2.2
271.07477	3.9
272.04742	3.2
273.05603	4.1
275.01819	3.9
277.05057	5.2
279.02997	2.8
285.05536	4.6
286.75006	2.2
287.03650	2.6
287.07117	3.9
288.04147	10.3
289.05017	12.4
291.06503	4.8
292.03864	3.7
293.04474	9.6
297.05530	3.7
299.07132	4.4
299.98880	3.1
300.99850	12.5
301.05032	9.5
302.05847	3.7
303.03024	8.9
303.06479	4.2
304.03674	11.4
305.04443	10.8
307.06055	7.3
307.09351	2.4
308.03134	4.1
309.07706	5.0
313.05154	9.6
314.05670	4.8
315.03149	4.4
315.06671	9.7
316.03757	10.0
317.04572	40.9
317.08115	6.8
318.05170	7.4
319.02438	19.9
319.06067	8.9
320.03165	4.4
321.04034	19.3
324.04108	2.6
325.04935	15.7
326.05527	6.3
327.02884	5.3
327.06680	5.0
328.03470	2.2
329.04614	13.9
330.05243	11.6
331.02441	7.8
331.06201	5.1
332.03220	37.4
332.07031	3.0
333.03946	17.7
333.07596	2.9
334.04672	7.4
335.01947	4.0
335.05548	22.8
335.09232	3.1
336.06003	2.6
341.04434	19.9
342.05307	7.8
343.02319	4.3
343.06055	29.2
344.03165	3.7
344.06915	2.9
345.03946	25.2
345.07745	17.0
346.04630	6.2
347.05588	33.1
353.04333	15.5
353.08328	2.3
354.05255	4.4
355.02356	18.1
356.03229	14.0
357.04019	8.0
358.04703	4.8
359.01901	11.2
359.05746	9.5
360.02679	9.5
361.03400	9.3
361.07230	11.4
363.08511	10.0
367.02582	3.0
369.03967	33.2
370.04718	14.6
371.02365	4.5
371.05658	63.4
372.02698	9.2
372.06604	3.4
373.03427	51.3
373.10818	2.9
374.04034	9.5
379.04547	2.8
385.03561	3.8
386.04330	4.1
387.05118	31.1
388.05640	3.0
389.06693	60.2
390.06946	4.4
397.03479	34.2
398.04260	5.3
399.01526	3.0
407.07669	19.8
413.03009	5.4
414.03632	3.8
415.04559	83.2
415.10172	4.1
416.04950	4.6
433.05646	30.7
441.02493	6.4
450.99832	2.9
451.06750	3.5
467.16000	2.6
490.98111	2.5
508.09973	3.0
535.08423	5.2
547.16608	10.0
548.16852	6.1
552.08752	4.7
553.09924	24.1
561.10571	3.1
563.12109	5.1
579.11682	2.6
589.09753	6.6
607.10889	60.8
608.10834	3.6
617.08008	4.7
625.12549	3.8
633.08636	13.7
651.09894	78.9
652.10236	8.1
744.15961	11.0
751.13232	3.7
757.09442	2.3
772.16992	2.3
781.16083	4.4
787.08972	2.4
795.12103	14.1
799.17358	25.3
800.16901	3.7
825.15167	59.1
826.15802	7.4
843.16266	72.0
844.16644	9.7
939.11896	3.0
943.19946	3.3
987.18335	88.4
988.18750	13.1
1017.21350	79.5
1018.21747	11.0
1101.74463	2.6
1179.24658	98.3
1180.24902	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	1171.481
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	1.1
83.01385	0.3
83.05023	1.1
85.02946	16.9
86.03278	0.4
87.00868	3.6
89.02453	0.6
92.19931	0.1
93.03458	8.2
95.01379	0.8
97.02975	0.3
97.06573	0.1
99.00871	0.3
99.04507	0.6
101.02453	1.1
108.02196	0.4
109.02945	2.0
111.00888	0.2
111.04523	2.0
113.02467	0.7
119.03474	0.2
125.02411	0.4
127.04010	4.2
130.04239	0.3
133.02940	0.2
135.04468	0.3
137.02441	0.5
143.03427	0.3
143.05055	0.3
144.05685	0.2
146.03743	0.4
149.02449	0.1
153.01994	0.2
155.03535	0.5
156.05844	0.3
156.90494	0.2
158.03722	0.5
159.04500	1.6
160.05313	0.9
161.02437	0.5
161.04526	0.2
163.11284	0.5
165.05545	0.2
165.12880	0.2
169.01405	0.2
171.02982	1.1
171.04504	0.9
172.05289	5.8
173.04535	1.8
173.06036	1.2
174.03206	0.3
174.06886	0.2
175.03932	0.3
179.05606	0.2
182.03673	0.3
183.03111	0.2
183.04520	1.4
184.05257	0.5
185.06035	1.4
186.03227	0.4
186.06834	0.7
187.04008	1.7
187.07539	0.2
188.04778	0.3
191.05598	81.0
192.05939	2.2
196.05232	0.3
197.06050	1.5
198.03185	0.5
198.06752	0.5
199.03995	11.2
199.07668	0.4
200.04749	4.3
201.05576	1.1
202.06371	0.8
204.04234	1.2
209.06154	0.2
209.11815	4.9
210.03229	0.5
211.04028	1.9
211.07591	0.7
212.04681	0.5
213.05486	0.9
213.09029	0.2
214.06392	0.8
221.06602	0.7
222.07053	0.2
224.04790	0.4
225.05624	0.2
226.02696	0.9
227.03479	32.8
228.04230	12.6
228.06622	0.2
229.04727	0.6
230.05754	0.2
232.03714	0.9
238.06325	0.3
239.07103	0.3
239.14369	0.5
241.12357	0.3
242.05804	0.4
246.05373	0.4
255.06604	0.2
255.10663	0.2
255.13896	0.9
257.15408	0.3
265.12259	0.4
267.13882	0.9
274.04971	0.2
281.12119	0.2
281.15469	0.6
283.13379	35.7
284.13681	2.2
285.14890	0.6
297.14944	0.5
299.16278	0.3
300.99927	0.2
301.14417	5.8
302.14871	0.4
307.13547	0.8
309.14944	9.3
310.15295	0.6
311.12866	9.9
312.13315	0.6
325.14456	4.2
326.14917	0.2
327.12308	4.9
327.16016	5.0
328.12546	0.4
328.16214	0.3
329.13898	2.6
329.17612	0.2
330.14243	0.3
335.12918	1.1
339.16104	0.2
341.13806	0.3
343.15424	0.7
345.13364	0.9
345.17136	0.5
353.13913	23.7
354.14316	1.6
357.16888	0.2
357.70648	0.2
371.14963	6.7
372.15363	0.5
419.16776	0.2
427.17310	0.4
445.18604	0.4
449.14441	0.4
589.22754	0.2
607.23877	0.2
699.28253	0.2
725.26526	0.8
727.28430	0.2
743.29724	0.2
751.28851	0.9
769.29150	4.9
770.30066	0.3
817.36566	0.2
861.39380	0.2
909.41010	0.7
917.40424	0.4
935.39233	14.2
936.39545	2.1
937.42279	0.7
951.41370	0.4
953.43494	2.8
954.43561	0.5
961.40411	2.3
962.41699	0.3
979.41699	100.0
980.42053	16.8
997.42737	8.6
997.63794	0.3
998.43146	1.6
1022.08624	0.2
1153.47546	0.3
1171.48059	30.9
1172.48401	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	1177.6883
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01419	0.1
83.05019	0.3
85.02933	0.4
87.00880	0.1
89.02457	0.1
93.03459	0.2
99.87934	0.1
101.02444	0.1
109.02975	0.1
111.04510	0.1
113.02454	0.1
119.03450	0.1
119.08620	0.1
123.08228	0.1
124.83475	0.1
125.02465	0.1
135.04585	0.1
135.08087	0.1
145.02988	0.1
161.02448	0.1
161.04521	0.1
163.11232	0.3
164.22800	0.1
165.12817	0.2
166.12811	0.1
169.01472	0.1
171.10214	0.2
172.05243	0.1
173.04539	0.1
179.05655	0.1
191.05617	1.6
191.10812	0.1
192.05927	0.1
199.04021	0.1
207.10101	0.1
209.11815	14.0
210.12149	0.7
227.03406	0.3
227.12880	2.1
228.04260	0.1
228.13130	0.1
235.08177	0.3
247.13342	0.1
253.09232	0.7
275.02136	0.1
283.13382	0.4
293.22809	0.1
301.00015	0.1
301.14432	0.1
303.21246	0.3
307.21179	0.1
307.24167	0.3
309.15012	0.1
311.12875	0.1
319.24295	1.0
320.24603	0.1
335.23798	0.1
337.25351	0.2
343.24158	0.1
345.22263	0.2
347.23627	0.1
353.13809	0.2
357.26044	0.1
359.27353	0.1
361.21652	0.1
363.22824	0.1
363.26831	0.1
365.24835	0.1
371.14926	0.1
373.28912	0.1
377.28433	0.1
379.30032	0.2
385.27850	0.1
389.28635	0.1
391.30057	0.2
393.31717	0.5
401.27344	0.4
409.31107	0.2
411.25012	0.1
415.28461	0.2
417.27292	0.1
421.31082	2.0
422.31702	0.1
427.17422	0.1
427.31851	0.2
428.32135	0.2
439.32022	0.2
441.33823	2.1
442.34119	0.2
445.20749	1.0
446.21033	0.1
455.32004	0.3
457.33307	0.5
458.33417	0.1
459.34918	0.1
463.21783	0.1
485.32755	1.2
486.33066	0.1
501.32153	0.2
502.32855	0.1
503.33746	100.0
504.34088	10.6
637.32281	0.3
655.33154	0.2
673.34729	0.1
679.61804	0.1
815.34955	0.5
816.35571	0.2
833.35956	0.1
1007.40192	0.3
1008.41901	0.1
1159.51306	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	1147.694
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04993	0.1
89.03971	0.2
91.01891	0.1
93.03466	0.1
96.95974	0.1
107.28491	0.1
107.56754	0.1
116.02694	0.1
116.92899	0.1
117.03463	24.7
118.03792	0.6
119.05024	4.8
119.05911	0.1
120.05402	0.1
121.02969	0.4
123.04508	0.1
125.02383	0.1
133.02997	0.1
145.02948	95.1
146.03287	2.6
147.04518	0.2
162.03261	0.1
163.03998	4.4
164.04382	0.2
191.05730	0.1
238.86411	0.1
253.09244	0.2
264.11661	0.1
277.21719	0.9
278.21927	0.1
291.19751	0.3
309.20630	0.1
336.23837	0.1
393.31696	0.2
405.31668	0.1
409.26984	0.1
425.30661	0.3
437.30484	0.2
439.32272	0.3
455.31613	0.6
460.71967	0.1
467.31842	0.5
469.33191	3.2
470.33508	0.3
487.34421	0.4
505.43594	0.1
513.32117	0.7
514.32343	0.1
589.38812	0.2
633.37872	100.0
634.38257	13.5
635.38483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01375	4.9
70.65550	2.1
71.01382	100.0
71.21475	3.9
71.21807	3.8
87.00868	6.6
115.00344	7.7
115.92179	3.0
116.07117	3.5
130.27296	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	1161.6939
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05000	0.1
89.02447	0.2
101.02448	0.2
113.02451	0.1
123.08099	0.1
125.02425	0.1
153.09238	0.1
161.04607	0.1
169.01431	0.2
185.59384	0.1
191.05554	0.2
191.47075	0.1
235.08202	0.2
277.21658	0.7
300.99985	0.1
311.23788	0.3
337.25131	0.1
341.24762	0.6
349.25394	0.2
367.26157	0.5
375.26559	0.2
377.28448	1.4
377.32828	0.2
378.28787	0.2
379.29797	0.1
383.25845	0.4
389.28424	0.1
391.25809	0.1
391.30258	0.2
393.31622	2.0
394.32150	0.2
397.13443	1.9
398.13431	0.1
399.25327	0.2
405.27155	0.1
405.32065	0.2
407.29617	0.6
409.31207	0.2
410.31799	0.1
415.14505	0.6
419.29639	0.1
421.31207	0.6
423.32913	1.9
424.33182	0.2
437.30606	1.2
438.30746	0.1
439.32260	0.6
455.31616	1.6
467.31653	1.2
468.32077	0.1
483.30838	0.1
484.31262	0.1
485.32690	100.0
486.33032	9.6
487.33853	0.3
575.84229	0.1
632.14270	0.1
675.35846	0.2
1172.93396	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.34767	0.3
52.54858	0.3
54.42050	0.3
55.01868	0.9
64.65495	0.3
70.66560	0.3
70.69467	0.8
71.01382	0.5
73.02944	100.0
73.39916	0.3
74.03277	3.1
77.54986	0.3
80.40523	0.3
81.90485	0.3
99.00880	9.1
99.92573	1.8
116.92860	3.5
117.01934	13.1
118.02291	0.4
139.14841	0.3
139.65717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03444	1.3
83.01394	0.2
83.05045	1.0
83.67287	0.2
85.02946	7.9
87.00879	4.4
89.02441	0.3
89.03960	0.5
91.05502	0.3
93.03457	23.6
94.03793	0.4
95.01396	0.5
95.05028	0.6
96.95973	0.2
97.02956	0.4
99.00876	0.7
99.04502	0.5
101.02451	0.5
102.24015	0.1
105.03462	2.8
107.05019	0.9
108.02169	1.4
109.02949	4.1
111.00885	0.5
111.04523	3.1
112.04778	0.2
113.02427	0.5
115.04035	0.3
117.03443	0.3
121.02969	1.2
122.03751	0.6
123.00857	0.3
123.04494	1.0
124.01669	1.9
125.02460	1.4
126.03227	0.4
127.04020	2.1
129.01955	0.5
132.02168	2.2
133.02956	24.2
134.03787	4.7
135.04521	46.2
136.04816	1.3
137.02438	2.4
139.04001	0.7
145.02969	0.3
149.02467	1.0
150.03250	1.9
151.04024	3.7
153.01878	0.2
154.02576	0.2
155.03542	1.2
158.03708	0.2
159.04518	0.5
160.01625	1.5
161.02440	5.4
162.03157	0.3
163.03993	0.6
163.11296	0.3
165.12831	0.2
169.01405	0.3
171.02945	0.5
172.05379	0.2
173.04543	5.9
173.06033	0.4
174.03244	0.6
175.04001	0.5
175.07713	0.3
176.44470	0.2
177.01926	4.4
178.02710	2.1
179.03491	8.8
180.04005	0.4
184.05104	0.2
185.06094	0.2
187.03902	0.5
188.04781	0.3
189.05614	0.3
191.05603	47.4
192.05919	1.4
194.02139	0.3
200.04791	0.5
201.05620	0.3
202.02602	0.2
202.06163	0.2
203.03409	0.3
209.11804	2.9
211.13344	0.9
215.03741	0.3
215.05615	4.5
227.03441	0.5
227.12886	0.4
228.04256	0.5
281.15433	0.2
283.13440	0.9
294.94458	0.2
299.16580	0.7
301.00107	0.5
301.14435	0.4
307.08112	1.1
307.13434	0.2
308.08936	1.0
309.14938	2.0
310.15286	0.4
311.12769	0.3
325.14404	0.9
327.12393	0.1
327.15991	2.7
329.13739	0.2
343.15521	0.5
345.16904	0.3
351.07190	6.5
352.07715	0.6
353.09430	0.3
353.13925	2.8
354.14423	0.3
371.14859	0.9
397.13632	0.3
769.29321	0.8
817.37146	0.2
846.57977	0.2
929.12402	0.2
935.41357	0.8
953.43591	1.4
954.42761	0.3
961.40564	1.3
962.39496	0.2
978.40381	0.4
979.41675	20.0
980.42010	3.2
997.42542	2.3
998.44672	0.3
1153.47107	2.0
1154.48560	0.3
1171.48010	100.0
1172.48462	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	1139.7068
Annotation	Unknow
Peak:m/z	Relative Intensity
79.79249	0.3
80.02682	0.4
81.03450	2.4
83.01381	1.7
83.05019	1.8
84.76102	0.3
85.02946	3.8
85.57207	0.4
86.00086	0.3
86.06068	0.3
87.00867	4.2
89.02439	11.5
93.03465	0.7
95.01402	1.4
97.02943	8.7
97.06564	0.3
99.00880	2.5
101.02438	13.7
103.04048	0.3
107.05029	1.0
109.02950	0.3
109.06586	20.6
110.03709	1.0
110.06937	0.3
111.00874	0.4
111.04507	1.0
113.02441	7.1
115.03980	0.3
116.39611	0.3
119.03500	4.5
121.06590	1.2
123.00883	0.3
123.04492	0.9
125.02435	5.8
125.09695	0.3
131.03505	0.7
133.05070	0.4
135.08171	3.1
136.05321	1.9
139.04022	0.5
140.90150	0.3
141.01929	1.2
142.02721	2.2
143.03476	2.1
145.10205	0.5
149.04553	0.5
161.04543	2.9
161.09694	1.7
163.11276	12.7
169.04988	0.3
179.05591	4.0
179.10770	0.9
181.12331	3.3
185.04367	0.3
189.09186	2.2
199.06128	0.3
199.13326	0.3
207.10243	73.1
208.10583	2.2
209.11777	1.6
217.07245	0.6
221.06660	1.6
221.11850	0.4
225.11310	27.8
226.11690	1.1
235.08226	5.4
243.12340	1.0
245.06633	0.4
245.96933	0.3
253.09282	1.0
255.23270	54.8
256.23611	2.2
259.08051	0.5
263.07690	0.7
269.24783	0.7
277.21698	3.7
281.13806	0.7
287.07666	1.7
299.14914	1.3
305.08817	2.1
321.07898	0.3
323.09814	1.2
361.11423	0.4
379.07352	0.4
379.12393	9.6
397.13461	50.4
398.13843	1.9
415.14520	11.4
416.14963	0.3
419.35413	0.7
425.18210	0.3
435.38870	0.3
443.19437	0.5
459.29822	0.3
461.20102	0.5
587.23315	3.0
605.24542	6.8
606.24646	0.5
623.25507	4.3
635.36414	2.7
653.37469	6.3
654.38580	0.4
701.71741	0.4
843.47485	3.2
844.47388	0.5
861.48444	100.0
862.48779	12.9
1054.96814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05762	2.0
55.01880	21.4
67.01524	3.2
67.01888	58.3
69.55541	16.1
71.01366	5.5
78.95905	100.0
79.95765	4.2
83.01384	60.0
84.01684	2.2
110.97585	13.1
111.00878	88.8
111.02018	3.8
112.01207	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	1125.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	0.3
83.01375	0.8
85.02970	0.8
87.00870	0.5
93.03453	76.5
94.03774	1.3
94.91316	0.2
95.01392	0.6
96.96008	0.8
98.41316	0.2
101.02460	0.7
107.05024	1.4
108.02184	0.6
111.00926	0.2
113.02434	1.6
121.02951	11.4
122.03289	0.4
125.02412	0.4
133.02985	0.6
135.04521	1.2
136.01645	0.5
137.02438	100.0
138.02777	2.2
143.03482	1.0
147.04579	0.4
149.02386	0.5
151.03993	2.6
161.02466	1.3
161.06050	0.3
163.04016	0.9
169.01378	0.3
179.03484	2.7
187.03918	0.4
191.03511	0.9
191.05566	2.4
197.06084	3.3
199.07603	1.2
203.03540	0.3
205.05067	0.5
227.07121	23.7
228.07510	0.9
233.04572	0.6
263.05588	3.4
281.06644	34.5
282.06989	1.0
300.99783	0.4
323.07687	18.4
324.08127	0.7
487.34256	44.4
488.34650	4.4
777.51477	0.3
880.94092	0.3
933.44818	0.6
1125.48242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02957	0.3
89.04005	0.2
93.03469	0.5
95.01408	0.7
101.03969	0.2
105.03485	0.2
116.94196	0.2
117.03452	0.6
119.05037	0.5
121.02991	0.2
123.00879	1.1
125.02457	0.8
129.03470	0.7
130.04210	0.2
131.05032	0.5
133.02934	1.1
133.82689	0.2
135.04568	0.4
137.02484	0.2
145.02942	2.5
147.04529	1.6
157.02911	1.4
159.04535	0.9
161.02455	0.7
163.00224	0.2
163.04033	1.2
169.01399	0.4
171.00815	0.2
173.02438	2.9
173.04443	0.3
174.03000	0.2
175.03993	2.2
175.78506	0.2
176.01154	0.2
177.01945	0.7
185.02441	3.6
185.03957	0.3
187.04021	0.5
189.01926	1.0
190.02730	0.7
191.03514	1.6
191.05612	4.7
192.06024	0.2
199.00485	0.4
200.01126	0.6
201.01929	5.0
202.02609	0.6
203.03477	5.1
203.05333	0.4
204.03856	0.3
205.01439	0.4
212.01158	0.2
213.01942	1.7
214.02649	0.5
215.05443	0.2
216.00635	0.3
217.01457	0.9
218.02029	0.3
219.02972	1.3
221.04518	0.2
226.99837	1.0
228.00616	0.5
229.01405	12.5
230.01920	0.8
230.99384	0.2
231.02954	3.7
233.01031	0.2
236.64671	0.2
240.00676	0.2
242.99352	0.2
244.00122	0.3
245.00899	3.3
246.01495	0.3
247.02484	1.5
249.04037	3.0
254.99358	0.4
255.99956	0.3
257.00916	9.5
258.01620	3.3
259.02216	0.4
270.98743	0.2
273.00439	1.6
274.01245	1.4
275.01959	32.7
276.02264	1.7
283.99609	4.3
287.72974	0.2
291.01572	0.3
298.98209	0.4
299.99133	4.0
300.99872	100.0
302.00186	5.2
339.42648	0.2
351.07089	0.4
353.08514	0.8
481.06216	3.3
482.06281	0.2
765.05432	0.8
766.05554	0.3
783.06799	97.1
784.07159	12.1
785.07898	1.2
786.07617	0.3
935.60132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01885	23.2
65.51175	3.0
67.01888	74.2
70.92628	3.4
70.92941	4.4
71.01383	8.2
78.95901	92.9
83.01383	56.3
85.22570	2.9
87.22362	2.9
110.97613	3.0
111.00881	100.0
112.01238	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	1101.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
77.59073	0.2
78.98580	3.0
79.95733	13.6
80.96513	40.4
81.03452	0.4
83.01364	0.2
85.02949	3.1
87.00872	1.8
89.68528	0.2
93.03458	1.7
94.98083	8.8
95.01375	0.3
96.20837	0.2
96.96001	0.8
97.02933	1.0
98.19758	0.4
99.00890	0.4
99.04532	0.2
99.92628	0.2
101.02437	1.3
106.98093	1.8
109.02927	0.3
113.02439	0.4
116.92844	0.7
122.97572	2.2
125.02445	2.3
127.04021	1.1
134.97574	3.8
136.99123	1.2
146.97612	0.3
148.97993	0.3
148.99135	4.5
152.98634	3.8
161.04541	0.4
164.98618	10.6
167.00253	0.3
172.05290	0.5
173.04594	0.3
173.06042	0.3
179.00169	0.4
188.98665	0.2
191.05600	6.7
197.11847	0.2
197.16957	0.2
199.04005	1.2
200.04727	0.4
201.75880	0.2
202.06393	0.2
206.99693	2.8
225.00728	21.7
226.01012	0.5
227.03546	1.0
228.04237	0.6
230.44733	0.3
241.00162	0.5
255.23253	1.0
283.04840	1.1
283.13379	1.9
301.14395	0.3
309.14932	0.3
311.12961	0.9
327.16025	0.5
329.13892	0.3
341.05457	0.7
353.13895	2.0
355.07126	0.5
371.14975	0.5
377.23373	0.5
411.13324	0.7
427.17670	0.3
445.12607	0.2
445.18546	0.4
486.73792	0.2
537.27393	1.5
537.86401	0.2
609.29535	0.7
623.31030	0.6
637.32629	0.3
653.18768	0.9
679.37463	0.8
683.41095	0.5
719.40021	0.3
867.61798	0.2
883.45026	0.7
891.40906	0.2
909.43036	5.6
910.42963	0.6
1083.48486	1.3
1101.49353	100.0
1102.49609	17.6
1119.94519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.6411
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02667	0.9
81.03452	1.2
83.01395	0.4
83.05028	4.1
84.02172	0.8
85.02941	3.3
87.00878	0.9
89.02452	1.5
93.03457	0.7
95.01390	0.5
95.05035	1.3
97.02956	0.9
97.06596	2.5
98.03722	0.3
99.04513	0.4
99.08150	0.7
101.02455	1.9
106.04227	0.3
109.02883	0.3
109.06558	1.1
110.03780	0.3
111.08160	0.8
112.05286	0.5
113.02437	1.2
115.07589	0.7
119.03499	0.9
123.00916	0.4
123.04513	0.4
124.05257	0.3
125.02399	0.7
125.06062	0.6
125.09693	2.1
127.04000	0.3
127.07652	4.3
127.11237	0.6
133.05040	0.3
135.04507	0.5
135.08151	1.3
137.09685	1.5
139.07658	1.0
139.10979	0.3
140.23543	0.3
141.09196	0.5
143.03465	0.4
145.05017	0.7
147.11815	0.3
153.09221	3.9
153.12717	0.3
155.10748	1.6
161.04565	1.7
163.11292	4.2
165.12807	2.7
166.13266	0.3
171.10257	13.7
172.10614	0.3
177.12831	0.3
178.09998	1.3
179.05580	0.7
179.10724	0.3
181.12318	1.0
183.13837	0.9
185.11812	6.0
186.15492	0.3
191.05649	2.2
191.10788	1.1
191.14357	0.4
193.12231	0.7
197.11827	6.7
201.09438	0.3
201.11195	0.6
206.05560	0.3
207.10341	0.6
209.11809	100.0
210.12166	3.4
211.11522	0.4
211.13409	5.6
212.66414	0.3
221.11798	1.0
225.11398	0.3
227.12868	9.8
228.13348	0.3
229.14420	4.9
230.14844	0.4
235.08203	10.4
236.10524	0.6
237.11357	0.3
238.12065	2.1
239.12833	1.0
245.19055	1.5
251.16484	0.4
253.09256	18.6
253.18039	0.4
254.09595	0.6
256.13116	0.7
263.20053	0.4
279.19556	0.7
281.21252	0.3
289.18027	3.4
291.19659	2.9
292.19910	0.3
298.98441	0.3
300.99829	0.9
307.19122	30.6
308.19415	2.0
309.20663	8.8
310.21075	0.4
325.20169	30.5
326.20419	1.8
327.21735	52.5
328.22086	2.7
384.73236	0.3
429.02942	0.3
432.38696	0.3
445.20844	4.9
463.22028	0.6
519.33337	1.9
537.34253	0.7
545.29614	5.3
546.30389	0.6
563.30713	7.2
564.31635	0.7
683.94269	0.3
755.41998	1.6
773.43976	0.4
774.02216	0.3
785.76404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95882	0.4
81.03456	1.0
83.05025	0.7
85.02950	15.6
87.00878	3.5
88.18425	0.3
93.03461	8.7
95.01361	0.3
99.04521	0.5
101.02460	0.5
104.74566	0.2
105.78925	0.2
108.02182	0.5
109.02946	2.0
111.04510	1.7
113.02460	0.4
115.12741	0.2
119.05029	0.5
127.04013	4.2
131.05072	0.3
133.02979	0.4
135.04521	0.5
137.02478	0.5
143.03522	0.3
143.05182	0.3
146.03706	0.5
152.10417	0.3
152.37711	0.2
155.03532	0.6
157.02959	0.3
158.03770	0.4
159.04500	2.3
160.05237	0.4
161.02490	0.3
161.06104	0.3
163.03986	0.7
171.03076	1.4
171.04428	0.3
172.05270	1.6
173.04549	1.6
173.06036	0.8
174.03212	1.0
183.04425	0.2
184.05292	0.5
185.06056	0.5
186.03281	0.4
187.04005	5.5
187.07591	0.3
188.04747	0.9
191.05605	100.0
192.05946	2.0
195.46440	0.2
197.06186	0.4
199.03973	2.1
200.04695	1.6
201.05597	1.3
202.06349	1.6
204.04196	0.5
211.04008	0.3
212.04805	0.3
213.05635	0.5
215.07063	0.3
227.03488	3.0
228.04227	1.8
231.02956	0.5
232.03664	0.4
253.34395	0.3
255.13828	0.4
274.04727	0.4
277.21738	3.2
281.15689	0.3
283.13391	11.7
284.13837	0.6
285.14941	0.6
299.12918	2.4
299.16272	0.5
300.99954	0.5
301.14459	1.9
309.14932	2.9
311.09354	0.5
311.12863	6.7
311.18521	0.3
317.13959	0.5
317.17862	0.3
325.14404	0.8
327.12451	0.5
327.15970	3.1
329.14023	1.9
335.13022	0.3
341.17722	1.4
343.15369	0.4
345.16916	0.3
353.13950	5.5
354.14355	0.4
359.18604	1.0
371.14941	1.2
385.16553	0.5
405.08170	0.3
406.70676	0.3
453.59164	0.2
531.49579	0.3
563.24567	0.3
607.23889	0.7
617.38495	0.7
618.38770	0.8
639.26538	0.4
823.45325	1.7
825.45605	0.5
841.47290	0.5
849.44421	0.6
855.48950	3.4
856.49713	0.5
867.45258	10.9
868.45282	1.5
873.50592	0.8
881.43597	1.3
885.46503	0.8
899.47931	55.2
900.48035	7.0
915.46332	0.7
917.48969	4.8
918.49536	0.7
1059.52112	2.1
1073.52966	0.3
1091.53979	8.3
1092.53638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.506
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	1.4
83.05025	1.3
85.02947	14.3
86.03345	0.4
87.00877	6.6
93.03456	37.4
94.03812	0.9
95.01369	0.6
95.05013	0.6
97.02955	0.4
98.20724	0.6
99.00873	0.6
99.04530	0.5
101.02403	0.5
105.03452	2.4
107.05008	0.5
108.02171	1.2
109.02959	3.8
111.00848	0.6
111.04501	4.0
113.02460	0.7
121.02943	1.4
124.01660	1.9
125.02437	1.7
127.04012	3.5
129.01944	0.7
129.34917	0.4
132.02205	2.3
133.02951	15.0
134.03773	4.6
135.04524	47.7
136.04901	1.3
137.02422	2.9
150.03227	1.6
151.03978	3.3
155.03481	1.6
159.04494	1.6
160.01678	1.8
161.02454	3.1
163.03983	0.5
167.10773	0.5
171.02997	1.1
171.04431	0.8
172.05301	2.3
173.04558	8.8
173.06017	1.1
174.03223	0.9
174.04752	0.4
175.03914	0.4
177.01956	4.2
178.02763	2.2
179.03494	8.9
180.04065	0.5
180.31265	0.4
183.04597	0.7
184.05247	0.7
185.06125	1.0
187.03993	1.7
189.05617	0.5
191.05602	100.0
192.05939	2.6
195.13857	0.8
197.06047	0.6
197.11809	0.4
199.04033	3.7
200.04703	1.7
201.05536	0.8
202.06418	0.5
203.03554	0.6
203.06819	0.4
204.04240	0.7
211.03931	1.0
211.13364	0.9
213.05511	0.9
214.06339	0.7
215.05550	2.9
223.13318	0.6
227.03479	12.6
228.04253	4.9
229.04709	0.5
255.14005	0.4
257.15460	1.0
275.01990	0.8
281.15436	0.7
283.13397	15.2
284.13742	0.7
285.14948	0.4
289.72159	0.4
297.14960	0.8
299.13248	0.5
299.16541	1.0
300.99969	0.9
301.14371	2.2
307.08124	1.2
307.13651	0.6
308.09021	2.9
309.14960	4.2
309.20587	0.5
311.12927	4.0
312.13507	0.5
325.14395	2.8
327.12274	1.1
327.16013	5.1
329.13870	0.8
341.13708	0.5
343.15515	1.2
345.17108	0.7
351.07254	5.9
351.11664	0.6
352.07874	2.7
353.09232	0.6
353.13870	11.4
354.14154	0.9
371.14905	2.4
553.95093	0.4
565.22729	0.5
581.25940	0.6
589.22998	0.8
607.23651	3.2
743.36102	0.5
769.34918	0.7
771.36328	0.9
781.27435	0.4
786.38269	0.7
787.36322	1.1
813.36938	7.5
814.37439	1.1
831.38165	0.8
837.40723	4.4
853.43994	0.9
855.44037	3.3
856.46985	0.6
871.45380	0.7
873.46716	1.2
881.43250	18.7
882.43408	3.3
898.44147	0.5
899.44232	23.9
900.44220	3.8
917.45483	2.7
953.47412	0.9
1005.43390	5.1
1006.43884	0.7
1073.50439	2.9
1091.50610	72.8
1092.50818	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	1091.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	0.4
81.03459	1.0
83.05023	1.0
85.02945	16.7
87.00872	4.1
89.02441	0.6
93.03452	9.4
93.04025	0.6
95.01398	0.9
96.95963	0.4
99.04505	1.0
101.02460	0.4
106.92118	0.3
109.02953	2.7
110.96906	0.3
111.04497	2.3
111.08062	0.5
113.02481	0.5
121.19343	0.3
125.02463	0.6
127.04006	4.6
133.02946	0.6
135.04535	1.4
137.02428	0.6
146.03732	0.3
155.03499	0.5
159.04521	1.0
160.05219	0.7
161.02464	0.4
169.01375	0.8
171.02982	1.4
171.04399	0.5
172.05280	4.1
173.04535	2.2
173.06049	1.2
174.03232	0.7
182.03716	0.4
183.04446	0.6
184.05255	0.6
185.06068	0.6
186.06660	0.4
187.04025	1.5
191.05600	100.0
192.05952	1.7
197.06071	1.2
197.11809	1.1
198.06834	0.4
199.03979	8.0
200.04764	3.0
201.05502	1.0
202.06300	0.7
204.04277	0.7
209.11900	0.6
211.03975	1.3
211.07614	0.6
211.13411	0.7
212.61774	0.3
213.05632	0.5
214.06308	0.5
227.03484	19.1
227.10718	0.4
228.04242	6.7
229.04840	0.5
232.03717	0.6
239.14374	0.4
241.12276	0.4
246.05284	0.4
255.06425	0.4
255.13910	0.8
257.15466	0.5
261.09589	0.4
267.13873	0.6
275.01974	0.6
281.15442	0.5
283.13385	26.6
284.13727	1.7
285.14911	0.3
299.16513	0.3
300.99884	0.9
301.14478	4.8
309.14987	6.7
310.15161	0.4
311.12897	7.2
312.13156	0.6
315.15878	0.3
325.14444	2.8
327.12296	1.9
327.16022	5.1
328.16428	0.5
329.13928	2.2
343.15118	0.4
345.13373	0.6
345.17041	0.6
353.13913	16.6
354.14365	0.9
371.15021	4.4
372.15375	0.4
397.13538	0.4
445.19193	0.3
487.34225	0.4
501.79205	0.3
537.22260	0.3
543.67206	0.3
563.24512	0.4
581.26477	0.4
589.21899	0.6
607.23926	4.8
608.24530	0.3
657.36578	0.4
801.35986	0.4
829.43396	0.8
855.41986	5.0
856.42908	0.4
857.43329	1.0
871.44873	0.6
873.46301	3.1
881.42963	2.3
899.44312	86.8
900.44659	13.1
917.45349	7.1
918.44928	1.8
1073.49133	2.2
1091.50684	17.8
1092.50806	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	1077.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95912	0.4
81.03449	1.6
83.05025	1.0
85.02948	15.4
87.00877	6.5
89.02408	0.4
93.03459	24.1
94.03825	0.4
95.01321	0.4
96.80189	0.4
97.02984	0.5
99.00868	0.6
99.04536	0.5
101.02444	1.0
106.25309	0.3
107.85593	0.4
108.02186	1.0
109.02966	3.1
111.04524	3.7
113.02462	0.4
120.51270	0.4
121.02937	0.7
122.03740	0.4
125.02415	0.9
125.57406	0.4
127.04047	4.0
129.01962	0.5
133.02956	3.3
134.03770	1.7
135.04530	7.9
136.01665	0.6
136.04951	0.4
137.02444	13.2
139.11157	0.4
146.03804	0.4
151.04013	0.9
155.03458	1.4
158.03667	0.4
159.04466	1.9
160.05196	0.6
161.02417	1.9
161.06056	0.5
162.03282	0.4
171.02995	1.1
172.05302	1.8
173.04570	4.8
173.06035	1.0
174.03218	1.3
174.06801	0.4
175.03993	1.2
176.04768	2.2
177.01944	1.3
178.02744	0.6
179.03502	1.3
185.06171	0.6
186.06857	0.4
187.04045	3.0
187.07661	0.7
188.04759	1.5
191.05605	100.0
192.05949	1.9
197.06073	0.7
199.04019	0.5
200.04713	0.8
201.05455	0.8
202.06302	1.4
211.13397	0.6
214.06187	0.4
225.14984	3.2
227.03490	1.2
228.04196	0.9
231.13885	1.3
233.06682	0.6
253.09207	0.4
255.13843	0.5
267.13943	0.4
273.14993	1.6
277.21664	4.5
283.10275	0.6
283.13391	10.9
284.13571	0.5
291.15964	0.6
299.12970	1.5
299.16504	2.9
300.99982	0.4
301.14484	4.5
309.14990	3.8
311.12863	1.7
315.16101	0.9
317.14093	0.4
317.17642	0.7
325.14468	1.3
327.12296	1.0
327.15958	9.1
328.16205	0.5
329.13953	0.6
345.17102	2.3
351.07181	0.5
353.09430	0.6
353.13959	2.5
371.14865	0.9
434.65622	0.4
444.49722	0.4
607.24121	0.5
615.05054	0.4
650.66644	0.4
765.44690	1.2
823.45782	1.2
841.47217	5.4
842.46973	0.7
859.49432	1.7
867.45331	12.3
868.45477	0.9
885.46381	6.2
886.46820	0.8
903.47900	3.3
939.49731	13.8
939.68524	0.7
940.49738	1.5
1059.51831	13.0
1060.51843	2.5
1077.52637	71.7
1078.52808	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	1091.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
75.86571	0.5
81.03458	2.6
83.05024	1.7
85.02944	12.7
87.00875	12.9
93.03456	73.8
94.03795	1.6
95.04994	1.5
97.02936	0.7
99.00877	1.3
99.04507	1.0
105.03471	3.8
107.04992	1.3
108.02160	2.5
109.02953	7.4
110.33708	0.6
111.00884	1.2
111.04520	7.8
113.02435	1.1
115.03984	0.5
116.74506	0.6
117.03503	1.2
120.31502	0.5
121.02897	3.1
123.00816	0.7
123.04483	1.2
123.28003	0.6
124.01669	3.5
125.02438	2.0
127.04028	2.9
128.14359	0.6
129.01900	0.9
132.02153	2.8
133.02957	31.2
134.03770	8.7
135.04523	73.5
136.04858	2.0
137.02457	4.3
139.04085	1.3
149.02473	1.3
150.03229	2.4
151.04002	5.3
155.03511	3.8
159.04497	0.7
160.01640	2.7
161.02451	6.8
162.02946	0.7
163.03969	0.7
169.01382	1.4
171.02991	1.6
171.04385	0.7
172.05212	1.1
173.04543	24.9
173.05878	0.9
177.01920	12.2
177.03346	1.0
178.02707	6.0
179.03487	17.0
180.03972	1.0
183.04604	0.6
187.03946	1.0
191.05602	100.0
192.05998	2.3
195.13872	0.8
211.13364	1.5
215.05609	8.8
223.13351	1.7
227.03476	0.8
249.04045	0.7
275.01898	1.0
283.13370	0.6
297.14706	0.6
299.16510	1.1
300.99924	1.9
307.08255	2.5
308.09091	3.6
309.14969	1.8
317.17474	0.9
327.15808	3.0
346.38287	0.6
346.60410	0.6
351.07227	15.3
352.07874	2.9
353.09155	0.9
353.13885	2.7
371.14716	1.3
391.10367	1.2
414.79803	0.6
530.28192	0.6
561.06519	0.8
607.24103	1.3
757.37848	1.2
784.37250	1.5
813.37250	3.3
814.37158	0.8
853.42419	1.2
855.40479	6.2
856.40723	1.0
863.42749	0.9
871.46490	1.1
881.43463	15.1
882.43762	2.3
899.44269	5.2
947.42346	0.7
976.43097	1.6
1005.43329	57.6
1006.43610	9.6
1045.50012	4.8
1046.49500	1.0
1073.49451	24.4
1074.49512	4.8
1091.50476	37.4
1092.50830	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	1075.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	0.8
83.05028	0.8
85.02949	16.8
85.07804	0.2
86.03313	0.3
87.00868	3.1
89.02464	0.4
91.63612	0.2
93.03457	8.4
95.01372	0.6
97.02923	0.3
99.04519	0.8
101.02453	0.6
109.02946	2.2
111.04526	2.0
113.02435	0.5
119.56789	0.2
124.75687	0.2
125.02406	0.4
127.04008	3.3
130.04260	0.2
133.02927	0.2
135.04492	0.3
146.03802	0.2
155.03471	0.4
158.03728	0.5
159.04517	1.4
160.05286	0.6
161.02429	0.4
171.02982	1.1
171.04529	0.8
172.05295	3.5
173.04533	2.0
173.06035	0.8
174.03239	0.4
183.04486	0.8
184.05284	0.4
185.06056	0.7
186.06741	0.3
187.04050	1.1
187.07533	0.3
191.05597	100.0
192.05952	3.0
195.13850	0.7
196.05205	0.3
197.06061	0.5
198.06825	0.3
199.03995	6.6
200.04765	2.5
201.05507	1.0
202.06377	0.7
203.03456	0.3
204.04276	0.9
211.03955	1.3
211.07509	0.3
213.05600	0.6
214.06325	0.6
223.13405	0.4
224.04799	0.2
226.02650	0.4
227.03479	22.1
228.04228	8.0
229.04762	0.6
232.03726	0.5
235.40872	0.2
239.14359	0.3
242.05850	0.3
246.05240	0.5
255.06641	0.5
255.13890	0.5
257.15332	0.3
267.13724	0.4
281.15445	0.7
283.13370	23.8
284.13647	1.3
285.14865	0.5
293.21274	0.8
299.16489	0.4
300.99808	0.4
301.14407	3.5
305.17548	0.3
307.13284	0.4
309.14932	5.3
310.15491	0.3
311.12885	5.8
325.14359	2.6
327.12302	1.6
327.16003	3.7
328.16251	0.3
329.14078	1.5
335.12415	0.2
343.15396	0.3
345.17023	0.3
353.13916	17.3
354.14099	1.1
357.17227	0.3
371.14957	3.8
427.17776	0.3
445.18375	0.3
537.23138	0.4
563.22363	0.3
565.22601	0.3
581.25018	0.3
584.78894	0.2
589.23260	0.3
607.23975	2.8
627.94666	0.2
741.34418	0.3
785.37469	0.4
813.44470	0.3
839.42322	5.0
840.42719	0.7
841.43903	1.2
842.44153	0.4
857.46509	2.5
865.43921	1.0
883.44800	87.6
884.45001	15.0
901.45715	7.0
902.46460	1.2
930.30597	0.3
1031.49304	0.3
1044.69641	0.2
1054.07959	0.2
1057.49792	1.6
1075.51099	13.0
1076.51013	3.2
1109.06689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03435	2.0
81.50439	0.3
83.05044	1.6
85.02946	7.1
87.00875	7.6
89.03967	0.3
92.74500	0.3
93.03456	51.6
94.03790	0.7
95.01371	0.4
95.05022	0.7
99.00897	0.7
99.04515	0.6
105.03470	2.6
107.05024	1.0
108.02181	1.2
109.02947	3.1
111.00881	0.6
111.04521	5.3
113.02425	0.5
121.02940	1.3
122.03741	0.7
123.00878	0.5
123.04533	0.8
124.01649	2.3
125.02463	1.6
126.03246	0.6
127.03994	1.6
129.01926	1.0
132.02161	2.7
133.01924	0.5
133.02956	17.6
134.03764	5.9
135.04524	53.0
136.04857	0.9
137.02429	2.6
139.04016	0.6
149.02437	0.7
149.06009	0.3
150.03209	1.9
151.04004	4.5
155.03473	1.7
160.01665	2.5
161.02431	4.4
161.06107	0.5
163.04016	0.6
171.03014	0.5
173.03123	0.5
173.04539	8.8
174.03192	0.3
175.69870	0.3
177.01917	4.7
178.02707	2.7
179.03494	10.1
180.04195	0.3
189.08398	0.3
191.05606	44.7
192.05962	0.9
194.02213	0.4
209.11856	0.6
211.13419	0.7
215.05635	4.1
220.29431	0.3
283.13245	0.5
293.21228	0.6
300.99802	0.4
307.08167	0.8
308.08981	2.1
309.15012	0.7
325.14746	0.4
327.16040	0.8
351.07220	6.4
352.07840	1.2
353.13986	1.4
582.87561	0.3
607.24048	0.7
799.29205	0.3
857.46881	0.8
865.43158	0.5
883.44806	17.2
884.44891	2.7
901.46552	1.8
1057.50366	1.0
1075.51099	100.0
1076.51440	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	1073.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95713	0.4
80.96521	1.1
81.03446	1.1
83.01384	0.3
83.05031	1.4
84.02143	0.2
85.02946	18.3
86.03240	0.3
87.00880	3.8
93.03456	7.8
94.03814	0.2
94.98067	0.2
95.01360	0.3
98.19914	0.3
99.00878	0.2
99.04501	1.0
101.02422	0.8
108.02151	0.4
109.02940	2.0
111.04518	2.3
113.02427	0.5
115.04063	0.2
124.71559	0.2
125.02422	0.7
127.03054	0.2
127.04009	4.3
129.01956	0.3
133.02983	0.2
134.03728	0.2
135.04521	0.4
137.02451	0.6
145.02960	0.2
146.03735	0.6
147.04437	0.4
153.01920	0.5
155.03448	0.5
158.03758	0.3
159.04523	2.1
160.05280	0.3
161.02390	0.4
161.06071	0.5
163.11235	0.3
169.01323	0.3
170.07516	0.2
171.03035	1.4
171.04367	0.3
172.05272	1.5
173.04517	2.3
173.06024	0.8
174.03229	1.8
175.03960	0.3
177.01874	0.4
179.03456	0.2
183.04436	0.2
184.05276	0.6
185.06084	0.6
186.03203	0.3
186.06828	0.5
187.03987	4.6
188.04715	0.9
191.05600	100.0
192.05940	2.2
197.06087	0.4
198.06825	0.3
199.03987	2.3
200.04845	1.6
201.05591	1.0
202.06339	1.2
204.04303	0.3
209.11813	4.0
210.03180	0.3
211.04025	0.5
211.07623	0.4
213.05548	0.5
215.07248	0.2
219.02960	0.3
225.00720	0.4
227.03477	2.7
228.04291	2.1
231.02979	0.3
232.03757	0.6
255.13948	0.4
267.13989	0.3
271.13464	0.2
273.15002	0.4
281.11838	0.3
283.13376	11.7
284.13776	0.7
285.15036	0.4
285.63397	0.2
292.39944	0.2
297.14529	0.2
299.09723	0.4
299.12906	2.4
299.16550	0.6
300.99823	0.3
301.14471	2.3
307.13190	0.2
309.14932	2.8
311.12894	6.2
311.16452	0.4
312.13391	0.3
313.14584	0.3
317.14005	0.7
325.14496	0.8
325.81287	0.2
327.12296	0.6
327.15900	3.9
329.13995	2.2
329.17679	0.3
335.12817	0.5
341.17697	0.7
343.15475	0.5
343.19257	0.3
345.16736	0.5
353.13910	5.5
354.14203	0.2
359.18579	1.5
371.15039	2.0
385.16623	0.7
403.17749	0.3
411.17017	0.2
449.14566	0.4
565.23206	0.3
595.28070	0.3
607.23743	1.0
639.26776	0.4
763.35620	0.2
773.35089	1.0
775.35547	0.2
791.38837	0.5
799.36615	0.2
805.39893	1.8
806.39716	0.2
817.36530	8.4
818.37109	0.9
823.42120	0.6
831.35754	0.9
835.37799	0.6
849.39063	40.7
850.39539	4.4
863.39447	0.4
867.40082	3.3
868.41388	0.3
881.41705	10.6
882.42072	1.3
899.42303	1.3
1009.42444	2.0
1010.44165	0.3
1041.45496	9.4
1042.46045	1.1
1055.46680	0.3
1073.48743	9.2
1074.49878	1.3
1098.04724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
74.55404	0.4
78.95898	1.2
78.98599	0.4
79.95736	3.6
80.96509	3.7
81.03447	2.0
83.05054	2.3
85.02457	0.9
85.02951	16.7
87.00874	7.6
89.02452	0.6
93.03457	27.2
94.98061	1.0
95.01359	0.6
99.00893	0.8
101.02428	0.5
108.02159	1.4
109.02947	4.3
110.44046	0.5
111.04512	4.1
113.02412	0.8
121.03005	1.1
122.03743	0.7
123.04534	0.9
125.02451	0.6
127.04010	3.7
133.02943	1.2
134.03717	1.5
135.04524	3.9
137.02438	2.1
147.04410	0.6
153.01837	0.7
155.03491	1.3
159.04495	3.9
160.01552	0.5
161.02400	0.7
164.98541	0.6
169.01376	0.9
171.02995	1.3
172.05281	1.2
173.04556	5.1
173.05942	0.8
174.03210	0.9
174.06793	1.9
177.01909	0.6
179.03484	0.8
185.06067	0.6
187.04025	7.0
187.07640	1.8
188.04765	3.4
191.05603	100.0
192.05920	3.6
193.05882	0.5
197.06056	1.5
198.06895	1.2
200.04781	0.6
201.05540	0.5
202.02664	0.7
202.06305	0.8
205.12276	0.7
209.11806	7.8
211.13412	1.0
225.00739	1.5
225.14934	0.7
227.03262	0.6
227.12897	0.8
228.13000	0.5
281.15283	0.9
283.13547	1.1
297.14954	1.0
299.16544	11.0
300.99982	1.3
309.14935	6.9
317.17590	3.0
325.14325	1.1
327.16006	22.6
328.16357	0.8
343.15704	0.9
345.17087	2.6
351.06863	1.0
353.13763	3.5
371.14984	1.4
385.16586	1.9
595.20239	0.6
651.27051	0.6
679.33813	0.6
720.30103	3.0
791.38708	3.0
817.37097	5.4
849.38660	4.4
863.39673	1.2
881.41681	0.6
935.46051	0.8
945.35046	0.6
991.41888	1.1
1009.42212	2.3
1023.44910	1.1
1041.45349	34.8
1042.45581	5.4
1055.48145	1.1
1073.48279	77.2
1074.48767	13.2
1104.73804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6361
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95921	0.3
79.65665	0.3
80.02689	0.7
81.03455	1.0
83.01388	0.5
83.05022	3.3
85.02957	0.9
87.00888	0.7
89.02434	2.0
91.03989	0.3
93.03468	0.5
95.05044	0.7
97.06580	0.5
98.20676	0.7
99.00864	0.4
101.02444	3.2
109.06590	0.6
111.08159	8.2
113.02447	1.7
116.92854	0.8
119.03529	0.6
122.37849	0.3
125.02465	0.4
125.06028	0.4
127.07662	0.3
135.08121	0.5
143.03468	0.4
145.05045	0.3
151.11259	0.7
153.09225	0.4
153.12852	1.0
155.10855	0.3
161.04575	1.6
163.11296	3.0
165.12791	1.7
167.10834	0.4
169.01482	0.3
169.12343	4.1
171.10286	1.3
178.96591	0.3
179.05629	0.5
179.10770	0.6
181.12363	1.7
183.13808	0.4
191.05614	1.7
191.10741	1.0
193.12399	0.3
197.11819	43.4
198.12189	1.5
199.13383	2.9
209.11812	100.0
210.12169	3.4
211.13367	6.1
227.12862	13.1
228.13176	0.6
235.08223	5.7
252.21429	0.3
253.09268	18.2
254.09494	0.4
263.20148	2.8
265.18002	1.1
273.18521	0.6
291.19650	14.8
292.20016	0.8
293.21225	0.9
309.20688	61.4
310.21008	4.2
433.20755	0.5
445.20779	3.7
501.32401	1.5
519.32928	0.5
527.28448	1.1
545.29614	2.6
551.82294	0.4
737.40643	0.8
755.42163	0.8
1065.51172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.277
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.3
85.02943	5.7
85.03457	0.3
87.00862	1.1
93.03439	2.5
98.20889	0.6
103.50726	0.3
109.02934	0.8
111.04485	1.0
116.65636	0.3
118.45475	0.3
120.97096	0.3
127.04042	1.9
133.02956	0.6
135.04527	1.0
142.25003	0.3
160.81779	0.3
161.02428	1.6
171.03003	0.4
173.04523	1.3
179.03487	0.7
191.05597	100.0
192.05934	3.1
196.64865	0.3
213.60979	0.3
229.99760	0.3
248.34084	0.3
318.04907	0.3
326.02780	0.3
353.08734	29.7
354.09091	1.3
449.02820	0.3
631.61304	0.3
692.32904	0.3
707.18433	2.1
756.95880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
80.67171	0.2
81.03441	1.0
83.01394	0.3
83.05030	0.4
84.43713	0.2
85.02947	17.8
87.00874	3.2
89.02443	0.2
93.03455	8.0
95.01350	0.5
99.04511	0.7
101.02418	0.4
108.02246	0.3
109.02943	2.2
111.04527	1.9
113.02419	0.4
125.02460	0.3
127.04018	3.5
135.04529	0.3
137.02455	0.5
143.05046	0.3
155.03587	0.3
158.03773	0.5
159.04527	1.3
160.05258	0.4
161.02402	0.4
167.52022	0.2
171.02995	1.2
171.04420	0.5
172.05292	3.6
173.04549	2.0
173.06036	0.8
174.03189	0.4
175.48975	0.2
183.04521	0.8
184.05202	0.5
185.06052	1.1
186.03287	0.3
186.06784	0.4
187.03922	0.8
191.05598	100.0
192.05943	2.1
197.06046	0.9
198.06808	0.4
199.03999	6.9
199.05798	0.5
199.07642	0.3
200.04756	3.1
201.05518	0.6
202.06369	0.8
204.04158	1.0
211.04086	1.7
211.07616	0.4
213.05551	0.7
214.06348	0.7
226.02747	0.4
227.03481	19.4
228.04254	8.0
229.04666	0.3
232.03807	0.3
239.14552	0.2
246.05197	0.3
255.13817	0.4
257.15601	0.3
267.13904	0.5
277.21704	2.9
281.15414	0.4
283.13382	23.2
284.13733	1.4
285.14886	0.3
299.16321	0.2
301.14505	2.4
307.13330	0.6
309.14923	5.0
311.12891	7.1
312.13242	0.5
325.14407	2.8
326.14423	0.3
327.12357	1.3
327.16028	3.2
329.13889	1.5
335.13028	0.4
343.15698	0.3
345.13458	0.4
345.17215	0.4
351.12091	0.2
353.13904	17.4
354.14191	1.1
365.17969	0.2
367.14923	0.2
371.15009	2.9
427.17545	0.4
473.11829	0.2
491.53412	0.2
589.22772	0.5
607.23853	2.9
608.23956	0.3
797.45099	0.8
798.44330	0.2
823.43060	5.2
824.43195	0.6
825.43811	1.5
841.47253	2.2
849.44226	0.4
867.45300	79.8
868.45618	11.3
885.29089	0.3
885.46375	5.5
886.46246	1.0
906.10468	0.3
954.45764	0.2
1041.50464	0.7
1059.51563	9.7
1059.74292	0.5
1060.52600	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	1061.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.6
83.05019	0.5
85.02945	8.0
87.00864	3.8
93.03450	13.1
108.02177	0.8
109.02956	3.4
111.04512	2.6
115.00365	1.5
121.02933	1.6
127.04001	2.6
133.02977	0.8
135.04527	1.5
137.02507	0.6
155.03456	0.6
159.04625	0.5
161.02429	1.3
161.05952	0.7
171.02963	0.7
173.04530	7.9
179.03542	0.5
187.03993	1.2
191.05597	87.5
192.05945	3.4
213.05571	0.9
219.02931	0.6
226.06265	0.6
229.01430	1.3
230.01765	0.5
241.05075	1.0
242.05830	5.6
243.06604	9.5
244.07047	0.5
267.06726	0.5
271.04623	0.7
271.09723	1.5
281.04254	0.5
289.05646	1.9
293.04489	0.5
295.06009	1.2
297.07559	2.9
298.08298	0.5
316.75732	0.4
321.03979	0.4
323.05545	4.0
339.05090	0.5
353.08676	1.9
463.10876	0.9
469.63190	0.4
490.41739	0.5
506.72296	0.5
513.10187	0.6
514.10846	0.7
515.11536	1.9
533.12775	0.5
705.16296	0.6
706.16852	0.7
707.18231	100.0
708.18542	14.7
709.19025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
74.28105	0.2
81.03446	1.0
83.01402	0.2
83.05019	0.9
85.02946	17.4
87.00873	3.9
93.03455	7.7
95.01408	0.5
99.00878	0.4
99.04520	0.7
101.02446	0.3
105.01111	0.2
108.02206	0.4
109.02950	2.3
111.04514	2.2
113.02437	0.7
120.40652	0.2
125.02400	0.3
127.04018	3.6
133.02910	0.2
137.02420	0.5
146.03760	0.2
155.03448	0.3
158.03687	0.4
159.04489	1.2
160.05290	0.5
161.02390	0.4
171.02991	1.2
171.04422	0.4
172.05299	3.6
173.04527	1.9
173.06035	0.9
174.03224	0.3
175.03874	0.2
183.04517	1.0
184.05301	0.4
185.06029	0.8
186.03242	0.3
186.06863	0.4
187.03995	1.3
187.07549	0.2
191.05600	100.0
192.05933	1.7
196.05351	0.3
197.06064	0.9
198.03195	0.2
198.06894	0.4
199.03986	7.3
199.07573	0.3
200.04724	2.6
201.05452	0.8
202.06320	1.0
204.04265	0.9
204.23326	0.2
211.04018	1.3
211.07561	0.5
212.08159	0.3
213.05569	0.5
214.06396	0.6
226.02744	0.4
227.03481	18.1
228.04256	7.7
232.03726	0.5
241.12546	0.2
242.05959	0.3
246.05318	0.3
255.13919	0.4
257.11420	0.2
267.13950	0.4
277.21631	1.7
281.15332	0.5
283.13379	25.6
284.13672	1.2
285.14871	0.4
291.14038	0.3
301.14441	4.8
307.13361	0.4
309.14923	5.5
310.15311	0.2
311.12888	6.3
325.14377	2.7
327.12262	2.4
327.15994	4.4
328.12662	0.2
329.13986	1.7
335.12854	0.6
343.15405	0.6
345.13251	0.4
345.17062	0.7
353.13913	13.4
354.14270	0.6
371.14920	4.4
372.15002	0.2
427.17694	0.3
445.19135	0.4
537.23572	0.3
575.94940	0.3
579.24084	0.3
581.26086	0.4
589.22583	0.7
607.23920	4.6
733.69379	0.2
797.45001	0.6
823.42847	5.7
824.43958	0.4
825.44678	0.8
839.46521	0.4
841.47278	3.1
842.47314	0.5
849.44647	0.5
867.45319	77.5
868.45618	11.2
885.46338	7.2
886.47339	0.8
948.08472	0.2
1041.50110	0.8
1059.51660	10.2
1060.51819	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	1059.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
76.16634	0.4
78.76475	0.4
78.95907	1.6
81.03437	1.9
83.01382	0.4
83.05023	1.1
85.02957	6.3
86.24117	0.4
87.00877	8.8
88.98807	1.7
93.03458	57.7
94.03771	1.1
97.02948	0.7
99.00879	1.1
99.04539	0.7
105.03477	2.9
107.05017	0.9
108.02180	0.9
109.02976	3.1
111.00836	0.5
111.04521	5.3
121.02951	1.7
122.03764	0.7
123.00892	0.5
123.04521	0.7
124.01669	3.1
125.02460	1.6
126.03230	0.9
127.03997	1.9
129.01964	1.1
132.02161	2.3
133.01932	0.8
133.02956	20.7
134.03752	5.4
135.04521	57.7
136.04803	0.8
137.02452	2.4
139.03993	1.0
150.03212	2.0
151.04008	5.3
152.99603	0.8
155.03510	1.6
160.01660	2.2
161.02420	4.1
171.03052	0.4
173.04530	11.7
174.03149	0.6
177.01932	6.3
178.02719	3.1
179.03490	11.4
189.05560	0.8
191.05600	46.8
192.05884	0.7
202.10548	0.4
215.05620	4.0
277.21814	1.1
307.08206	1.4
308.08975	3.4
309.14941	0.8
325.14642	0.4
327.15933	0.8
351.07184	9.2
352.07950	1.8
353.13800	1.9
371.15057	0.7
841.47321	0.8
867.45270	18.3
868.45441	2.9
885.46210	2.2
1041.50952	1.5
1059.51624	100.0
1060.51917	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	1059.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
75.96172	0.1
78.95873	0.1
79.95742	0.2
81.03463	0.6
83.01378	0.2
83.05029	0.8
85.02948	18.1
86.03252	0.2
87.00877	3.6
89.02429	0.4
93.03458	8.5
95.01389	0.6
97.02981	0.1
99.00861	0.2
99.04507	0.8
101.02449	0.5
108.02189	0.4
109.02948	2.1
111.00854	0.2
111.04523	2.2
113.02462	0.5
125.02435	0.4
127.04012	4.3
133.02957	0.5
135.04466	0.2
137.02477	0.4
143.04999	0.2
145.02895	0.2
155.03450	0.3
158.03743	0.4
159.04504	1.0
160.05281	0.5
161.02431	0.3
169.27660	0.1
171.02985	1.2
171.04472	0.5
172.05290	3.3
173.04524	2.1
173.06000	0.7
174.03214	0.6
174.06696	0.1
175.03902	0.2
179.03653	0.2
182.03775	0.2
183.04541	0.9
184.05203	0.3
185.06081	0.8
186.03215	0.3
186.06841	0.4
187.04053	1.0
188.04599	0.2
191.05602	100.0
192.05980	2.0
197.06084	0.7
198.06749	0.3
199.04002	6.9
200.04781	2.8
201.05534	0.6
202.06409	0.6
204.04268	0.9
211.04021	1.3
211.07613	0.5
213.05528	0.4
214.06358	0.6
225.05524	0.3
226.02650	0.4
226.06349	0.2
227.03481	17.6
227.14606	0.2
228.04253	7.1
229.04668	0.4
232.03723	0.5
239.14447	0.3
246.05272	0.3
248.23009	0.2
255.06697	0.2
255.13898	0.6
257.15427	0.3
267.13950	0.5
277.21695	1.5
281.15475	0.5
283.13382	21.4
284.13672	1.1
285.15054	0.3
297.14905	0.3
299.16580	0.2
301.14450	3.7
302.14865	0.3
307.13556	0.4
309.14941	6.0
310.15506	0.3
311.12897	6.2
312.13330	0.3
325.14413	2.2
327.12326	1.4
327.15991	3.4
328.16327	0.3
329.13901	2.0
335.12985	0.2
343.15414	0.7
345.13245	0.3
345.17056	0.4
353.13916	13.5
354.14209	0.7
371.14972	4.4
372.15335	0.4
375.18292	0.2
427.17844	0.3
445.18750	0.3
452.52960	0.2
471.34897	0.2
537.23517	0.3
563.22729	0.2
589.22693	0.5
607.23834	3.9
608.24207	0.5
705.39063	0.2
769.14948	0.2
797.45038	0.7
823.42944	3.9
824.43793	0.6
825.43701	0.9
839.46960	0.3
841.47565	1.7
842.47589	0.4
849.43652	0.5
867.45306	68.3
868.45618	9.7
885.46405	4.7
886.46613	0.7
1027.43359	0.2
1041.50708	1.2
1042.50867	0.2
1059.51550	9.4
1060.51721	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	1059.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	2.0
82.82996	0.4
83.05022	1.3
85.02946	17.4
86.03279	0.5
87.00871	5.6
88.17480	0.4
89.02446	0.5
93.03456	19.8
94.03827	0.6
96.02174	0.4
97.02953	0.4
99.00898	0.4
99.04496	0.9
101.02438	1.2
109.02964	2.0
111.04514	3.2
113.02432	0.8
121.02951	0.5
123.00833	0.7
125.02401	0.5
127.04008	4.5
129.01924	1.2
131.04984	0.4
133.02945	1.7
134.03699	0.7
135.03036	0.4
135.04536	1.4
137.02423	1.5
146.03780	0.7
147.04523	1.5
155.03513	1.4
158.03757	0.5
159.04504	1.8
160.05276	1.4
161.02451	2.1
161.06033	0.8
163.04028	0.4
163.11346	0.8
169.01364	0.8
171.02945	1.1
172.05304	2.6
173.02280	0.4
173.04553	6.3
173.06015	1.0
174.03198	2.7
174.06711	0.5
175.04045	1.9
176.04797	3.7
177.01974	0.5
178.02675	0.5
179.03452	0.6
184.05103	0.5
185.05994	0.8
186.06767	0.8
187.03979	3.6
188.04716	0.9
190.06311	0.6
191.05600	100.0
192.05980	2.5
199.04025	1.9
200.04767	1.9
201.05592	1.4
202.06310	2.2
204.04311	0.7
209.11819	7.3
211.13397	1.3
214.06396	0.8
227.03477	2.3
227.12703	0.5
228.04283	2.4
231.13907	2.6
233.06575	1.1
240.95738	0.5
255.13910	0.8
257.15430	0.7
259.13339	0.7
271.13318	0.7
273.14917	3.2
275.01929	0.7
281.01309	0.4
283.13385	25.6
284.13657	1.3
285.14777	0.8
291.16028	1.2
299.12875	3.2
299.16171	0.7
300.99875	0.9
301.14426	10.0
309.14893	2.5
311.12860	4.9
315.16064	1.3
317.13861	1.4
319.15610	0.6
325.14389	1.0
327.12314	1.6
327.16010	6.2
329.13965	2.4
341.13956	0.9
343.15359	0.5
345.17026	3.1
353.13943	3.5
371.15005	1.8
449.14532	1.0
537.23883	0.5
555.24689	0.5
581.25531	0.7
607.24054	1.1
765.36646	0.8
773.34027	0.6
791.39063	2.5
799.35693	0.6
805.38739	0.8
809.40271	2.1
817.36407	10.3
818.37500	1.2
835.37488	4.3
849.39124	15.3
850.39587	2.1
853.38696	3.7
867.40027	3.9
868.40979	0.5
885.41199	1.3
1009.42914	3.9
1027.43835	23.0
1028.43701	2.8
1041.45325	8.6
1041.65833	0.7
1042.45593	1.3
1059.46558	49.2
1060.46716	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	1059.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
78.25104	0.2
81.03455	1.3
83.01402	0.3
83.05022	1.1
85.02945	13.0
86.03288	0.3
87.00876	4.6
89.02462	0.3
93.03457	15.7
95.01396	0.3
95.35510	0.2
99.04503	0.7
101.02454	0.5
105.03442	0.2
108.02180	0.9
109.00255	0.2
109.02961	2.1
111.04524	2.9
113.02410	0.4
121.02937	0.5
122.03745	0.3
123.04581	0.2
124.82987	0.2
125.02469	0.3
127.04016	3.6
129.01901	0.3
132.02176	0.2
133.02959	0.8
134.03717	0.6
135.04541	1.2
136.01636	0.8
137.02441	19.8
138.02763	0.3
143.03549	0.2
143.43634	0.2
146.03722	0.5
147.04413	0.3
155.03540	0.5
159.04523	2.0
161.02408	0.4
163.11324	0.5
164.74216	0.2
165.12868	0.3
171.03030	1.1
171.04297	0.3
172.05273	0.5
173.04552	3.5
173.05998	0.5
174.03285	0.6
174.06876	0.6
175.03958	0.2
176.04723	0.3
187.04015	3.1
187.07625	0.9
188.04768	2.0
191.05602	100.0
192.05951	2.3
197.06046	0.6
197.15410	0.2
198.06845	0.3
199.04002	0.2
200.04773	0.3
201.05537	0.4
202.02470	0.3
202.06352	0.6
209.11801	6.9
211.13396	0.3
213.05582	0.3
225.14935	3.4
227.03621	0.2
227.12924	0.2
235.13303	0.3
251.13046	0.3
253.09245	0.4
281.15366	0.4
283.13385	1.1
283.16513	0.3
299.16504	4.4
301.00034	0.2
301.14395	0.5
309.14896	3.3
311.12897	0.4
317.17688	0.9
325.14716	0.5
327.15994	9.7
328.16473	0.4
343.15485	0.3
345.17029	1.4
353.09607	0.2
353.13925	1.4
354.14529	0.2
371.15076	0.4
414.66287	0.2
469.80270	0.3
509.08319	0.2
528.95856	0.2
581.26093	0.5
607.23419	0.3
629.57275	0.2
679.33887	0.3
715.35730	0.6
747.38348	0.3
773.37189	0.5
791.38373	2.5
792.39026	0.3
817.36371	4.0
818.37146	0.6
835.37433	0.8
849.39551	2.1
853.38965	0.2
867.39929	0.5
889.40826	5.6
889.58276	0.3
890.41364	0.6
905.91010	0.3
921.43329	17.8
922.43793	2.1
1009.42645	1.8
1010.44647	0.2
1023.43951	0.3
1027.43921	9.6
1028.44299	0.9
1041.45398	3.3
1042.45923	0.6
1059.46521	30.2
1060.46814	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	1059.261
Annotation	Unknow
Peak:m/z	Relative Intensity
78.61700	0.9
81.05701	0.9
83.04990	0.8
85.02940	5.9
87.00893	2.3
93.03451	6.7
109.02943	12.3
111.04519	2.0
124.13007	0.9
127.04024	1.3
133.02951	1.1
157.02914	12.0
159.04539	6.8
173.04550	3.6
182.97124	0.9
185.02420	1.7
191.05602	45.1
203.03513	2.7
211.07721	1.0
221.06090	1.1
223.07542	1.0
225.05580	1.2
229.01393	100.0
230.01787	3.2
237.05592	1.3
239.07112	1.1
248.04813	1.1
249.05637	2.5
253.05130	2.5
264.04333	1.1
265.04996	3.6
267.06604	8.6
269.08228	2.3
276.04337	1.2
277.05072	6.6
292.03757	1.5
293.04526	15.2
294.05096	1.6
295.06110	16.0
296.06729	1.3
300.99936	1.7
311.05621	3.1
313.07004	4.2
321.04004	15.9
337.03595	2.4
338.04279	7.3
339.05081	45.2
340.05405	2.6
351.07303	1.6
513.10358	91.2
514.10596	5.6
545.22546	1.0
547.16846	2.0
595.12726	1.1
705.16644	83.7
706.17059	8.7
707.18524	12.9
708.18640	1.6
712.61957	1.0
867.19818	1.2
999.83429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.626
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02929	0.5
80.23424	0.4
81.03466	0.7
83.05023	2.0
85.02953	1.8
87.00867	0.9
89.02438	1.1
93.02895	0.4
93.03452	1.7
95.01450	0.4
95.05008	1.9
95.74073	0.4
96.95990	0.4
97.02956	0.9
97.06600	0.4
99.00929	0.4
101.02438	1.3
106.04187	0.5
106.68408	0.4
107.05025	0.8
109.06600	4.7
111.08160	14.0
113.02450	1.1
113.09702	0.8
116.92780	0.4
123.08183	0.4
125.02438	0.5
125.09711	0.4
135.08186	0.6
135.11821	0.7
137.09714	1.6
141.09348	0.4
147.11305	0.4
149.09709	1.0
153.09254	0.4
159.08264	0.4
161.04518	0.9
161.09671	0.6
163.11279	2.9
167.10745	2.9
169.01465	0.6
177.12845	3.5
179.10777	3.5
179.14389	0.6
187.03990	1.7
189.09209	0.5
191.05600	8.6
195.13892	13.2
197.11761	0.8
203.14433	0.6
207.10251	16.7
208.10643	0.7
209.11835	1.8
219.17422	0.4
223.13356	2.2
225.11330	5.8
227.12781	0.8
235.08249	1.2
241.14375	0.7
247.20627	5.3
253.09268	8.1
273.18542	2.6
275.20084	2.0
291.19653	100.0
292.19949	5.0
293.21213	31.4
294.21509	1.3
297.14813	0.5
300.99680	0.5
306.29834	0.4
309.15186	0.4
309.20685	0.8
311.56171	0.4
394.54999	0.4
397.13596	0.7
443.19107	1.4
447.08615	0.4
461.20465	1.7
483.31033	0.6
498.71310	0.4
529.30188	1.4
646.06805	0.5
719.39764	1.6
737.41174	21.2
738.41382	3.1
855.45197	1.3
1047.51123	1.3
1048.49951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	63.6
80.30012	7.2
80.96543	8.8
85.02980	12.9
93.03478	9.6
98.19892	19.2
106.95021	8.1
116.92855	25.5
128.60451	7.8
152.99593	35.9
191.05516	40.5
192.36992	9.4
255.23340	8.4
311.16824	9.4
716.00452	8.6
969.37085	10.5
1028.49683	14.1
1046.48169	100.0
1047.48657	11.6
1050.83521	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	1047.625
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02666	0.9
81.03445	1.6
83.01383	1.0
83.05019	3.4
84.02189	0.3
85.02946	0.7
87.00879	0.6
89.02444	1.2
91.09607	0.3
93.03458	0.5
95.01382	0.4
95.05025	1.1
95.25891	0.2
97.02946	0.8
97.06601	1.2
99.92550	0.3
101.02450	1.9
101.72012	0.3
106.04248	0.4
109.06590	0.5
111.08163	0.3
113.02441	1.1
116.92875	1.6
117.66872	0.2
119.03484	0.3
121.06651	0.3
123.04536	1.1
123.08179	0.5
124.01641	0.2
125.02420	0.5
125.06107	0.4
125.09728	1.8
135.08131	0.8
137.09703	1.0
141.12859	0.3
143.03497	0.3
147.11815	0.3
154.04581	0.2
161.04573	1.1
161.37569	0.2
163.11281	4.0
165.09209	0.3
165.12822	2.0
167.10722	0.3
169.01396	0.4
171.10272	0.8
179.05470	0.3
181.12343	1.0
185.11795	1.1
187.84201	0.3
191.05591	1.1
191.10759	1.1
191.14413	1.1
195.13928	2.5
197.11803	0.6
205.12288	0.3
207.10237	1.0
209.11812	100.0
210.12140	3.7
211.13319	0.7
223.13429	1.7
225.11348	0.8
227.12874	11.2
228.13301	0.6
235.08192	4.0
245.19046	2.7
253.09270	12.2
256.13174	0.3
260.33133	0.2
263.20108	0.3
271.17038	0.3
275.20145	3.1
289.18115	6.0
291.19592	0.5
293.21213	42.0
294.21585	2.1
307.19122	6.1
308.19232	0.6
309.20609	0.6
323.22281	0.3
341.23230	1.2
374.60596	0.3
397.13364	0.6
415.14819	0.4
445.20734	4.1
446.21054	0.3
485.32736	0.4
529.30127	0.7
670.35651	0.4
1047.51965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	0.5
81.03450	1.0
83.05012	1.2
84.76339	0.3
85.02943	18.1
87.00868	3.6
89.02402	0.3
92.07153	0.3
93.03449	7.7
95.01365	0.5
98.19855	0.7
99.04533	0.7
101.02450	0.6
109.02953	1.8
111.04521	1.8
113.02446	0.3
125.02523	0.3
127.04015	4.0
137.02480	0.4
143.03474	0.3
153.02078	0.3
159.04501	0.8
163.11270	0.6
171.02998	1.3
171.04434	0.4
172.05255	3.4
173.04517	1.8
173.05843	0.4
174.03273	0.4
183.04526	0.6
184.05212	0.4
185.06088	0.8
186.06851	0.5
187.03981	0.9
191.05592	100.0
192.05946	2.6
193.20786	0.3
196.05283	0.3
197.06116	1.3
198.06712	0.6
199.04001	6.1
199.07208	0.2
200.04774	2.4
201.05682	0.6
202.06358	0.5
204.04300	0.7
209.11794	3.5
210.02928	0.3
211.03990	1.3
211.07515	0.3
213.05643	0.5
214.06305	0.5
224.04779	0.3
226.02779	0.3
227.03471	18.9
228.04239	7.6
229.95811	0.3
232.03700	0.6
239.14441	0.4
246.05388	0.4
247.49382	0.3
255.13855	0.5
257.15430	0.3
267.13806	0.5
281.15402	0.5
283.13376	22.6
284.13721	1.3
285.14844	0.4
301.14410	3.5
302.14841	0.4
307.13382	0.5
309.14975	5.9
311.12860	6.4
312.13254	0.7
325.14438	2.3
327.12329	1.8
327.16037	2.6
329.05042	0.3
329.14017	1.7
335.12897	0.3
343.15506	0.6
345.13394	0.3
351.12155	0.3
353.13898	15.1
354.14313	1.1
371.14914	3.8
445.18515	0.5
537.22876	0.4
565.22516	0.3
589.22583	0.7
607.23987	3.3
655.30817	0.4
747.35773	0.5
773.33923	4.8
774.34955	0.4
775.36053	0.8
791.38263	1.5
799.35034	0.4
817.36426	60.7
818.36823	9.6
835.37244	2.8
836.38629	0.4
849.39063	13.4
850.39069	1.9
867.40002	2.0
991.41565	0.6
1009.42554	6.5
1010.42450	0.9
1023.44000	0.9
1041.45361	10.0
1042.46484	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	1037.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99331	0.5
73.02945	0.7
81.03445	0.8
83.05023	0.8
83.47954	0.4
85.02942	19.3
87.00865	3.4
93.03447	8.4
95.01361	0.4
98.20522	0.5
101.02448	0.8
109.02939	2.2
111.04533	1.8
113.02446	0.9
116.92871	1.5
117.71612	0.4
127.04021	3.9
133.02939	0.5
145.02936	0.5
149.09706	3.3
150.10017	0.9
155.03464	0.6
158.03824	0.4
159.04480	0.8
171.02979	1.2
171.04419	0.5
172.05263	2.7
173.04567	1.9
173.05898	0.6
174.03198	1.3
183.01210	3.2
183.04504	0.6
184.01587	1.8
185.00729	0.9
185.06053	0.9
191.05589	100.0
192.05907	2.1
197.05942	0.5
199.03976	5.0
200.04778	1.9
201.05574	0.6
202.06355	0.7
204.04262	0.8
211.03984	0.9
211.07529	0.5
213.05489	0.7
225.05681	0.5
227.03464	14.6
228.04216	6.2
229.04764	0.5
231.09892	0.4
253.09184	0.4
255.23259	4.8
281.15384	0.7
283.13379	16.1
284.13831	0.9
297.15021	0.7
301.14371	1.9
309.14948	5.6
311.12863	5.3
311.16821	9.5
311.20139	2.0
312.17114	6.0
312.20520	1.9
313.16757	2.8
325.14359	1.5
326.14612	0.4
327.12277	1.3
327.15982	2.3
329.13895	1.0
343.15442	0.4
353.13885	13.3
354.14249	1.0
371.14844	2.4
534.73090	0.4
607.23889	1.4
617.38513	0.7
801.44446	3.8
803.45514	1.9
819.49011	1.2
827.45844	1.1
845.46851	70.0
846.47156	9.5
863.48090	2.9
864.48297	0.5
1019.51923	3.5
1020.51660	0.8
1037.53223	9.2
1038.53296	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	1040.6004
Annotation	Unknow
Peak:m/z	Relative Intensity
110.29834	59.5
116.29607	63.4
123.86664	68.4
136.67918	73.1
361.04132	73.3
541.58691	78.7
760.83997	83.3
886.94287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02954	0.5
76.26830	0.2
81.03455	1.5
83.05035	1.3
84.02148	0.4
85.02950	18.1
86.03287	0.3
87.00877	4.1
89.02487	0.4
90.51511	0.2
93.03458	9.1
95.01411	0.6
97.02962	0.3
99.00878	0.2
99.04524	0.8
101.02441	0.5
106.21280	0.2
109.02953	2.1
111.04518	2.6
113.02435	0.5
125.02428	0.4
127.03153	0.4
127.04019	3.8
133.02971	1.1
134.03731	0.4
135.04565	1.4
137.02438	0.7
143.03513	0.3
145.30876	0.2
151.04002	0.3
155.03500	0.8
158.03651	0.3
159.04494	0.8
160.05270	0.4
161.02386	0.8
163.11272	0.3
171.02989	1.6
171.04378	0.5
172.05301	2.8
173.04536	2.6
173.06007	0.6
174.03192	0.4
177.01978	0.3
179.03513	0.3
183.04433	0.6
185.06058	0.6
186.06831	0.2
187.03961	1.5
188.04646	0.3
191.05605	100.0
192.05977	2.9
193.06097	0.3
197.06107	1.0
199.03990	6.4
200.04765	2.3
201.05508	0.7
202.06297	0.7
204.04265	0.7
209.11812	3.9
211.03972	1.3
211.07587	0.4
213.05696	0.3
214.06335	0.4
226.02739	0.5
227.03493	16.3
228.04250	6.9
229.04660	0.7
232.03723	0.4
255.13951	0.5
267.13907	0.4
281.15439	0.3
283.13382	19.0
284.13599	1.2
285.15024	0.3
299.16489	0.4
301.14438	3.1
309.14929	4.4
310.15344	0.3
311.12854	5.8
312.13239	0.5
325.14505	1.8
327.12292	1.4
327.16016	3.5
329.13910	1.2
335.12787	0.3
343.15329	0.4
345.13467	0.3
353.13934	15.5
354.14224	1.0
371.15012	3.7
372.15057	0.4
385.17093	0.2
565.22400	0.2
589.23096	0.5
607.23987	2.4
632.37128	0.3
747.36292	0.4
755.35370	0.3
773.33942	2.8
774.34546	0.5
775.35260	0.3
791.38129	0.6
799.35822	1.3
805.38196	0.3
817.36462	45.2
818.36969	5.1
831.37097	0.5
835.37738	3.0
836.37689	0.4
847.36475	0.3
848.37665	0.8
849.39038	12.8
850.39410	1.4
867.39789	1.4
991.40912	1.8
992.40936	0.4
1009.42847	10.7
1010.42969	1.9
1023.44275	0.6
1041.45374	19.2
1042.45471	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	1030.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	46.2
101.45930	18.3
106.88660	17.0
116.92856	41.5
152.99573	29.3
191.05637	45.6
192.05847	18.3
195.42796	17.1
293.21304	22.4
294.21414	16.1
309.21182	16.8
885.45691	18.8
987.20892	18.9
1030.48743	100.0
1031.49182	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53444	31.1
78.95895	60.4
86.79807	29.0
108.29147	30.7
132.65639	30.3
152.99521	40.1
161.04774	27.7
191.05655	75.1
207.84319	31.8
311.26855	36.7
536.81110	30.7
772.82538	31.6
1030.49316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.631
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99283	0.3
73.02946	0.4
76.40837	0.2
80.02677	1.0
81.03445	0.8
83.01403	0.5
83.05022	3.6
84.02174	0.6
85.02953	0.9
87.00867	0.5
89.02442	1.8
90.66762	0.2
95.05033	0.6
96.96066	0.3
97.02990	0.3
97.06584	0.5
98.19895	0.4
99.00925	0.4
99.92566	0.3
101.02428	3.0
104.19487	0.2
109.06577	0.3
110.74806	0.2
111.00909	0.2
111.08152	0.4
112.27509	0.2
113.02477	1.9
113.09749	0.4
116.92867	2.1
117.92864	0.3
119.03503	0.9
121.10228	0.4
125.02412	0.4
125.06097	0.5
135.08109	0.5
143.03487	0.3
147.11855	0.3
148.08928	0.2
149.09734	0.2
161.04587	1.5
163.10039	0.3
163.11290	3.5
165.12843	7.5
167.10736	0.3
169.38425	0.2
171.10278	1.4
175.11295	0.3
176.12201	0.2
179.05623	0.6
179.14369	0.7
181.12341	0.6
191.05566	0.8
191.10808	0.9
191.14490	0.3
195.13885	6.9
196.14549	0.3
205.12286	0.5
205.15991	0.3
209.11809	100.0
210.12141	3.2
211.13338	1.1
216.21669	0.2
223.13359	4.9
224.14053	0.3
227.12866	12.5
228.13388	1.0
231.21111	0.3
235.08206	2.7
247.20667	3.2
253.09265	19.4
254.09680	0.5
256.13123	1.3
265.21762	0.2
273.18579	1.3
275.20126	8.9
276.20380	0.3
283.13364	0.2
291.19635	11.7
292.20013	0.9
293.21207	95.4
294.21567	4.7
306.07663	0.3
341.23291	0.3
445.20651	2.6
485.32748	0.8
492.21735	0.4
503.33652	0.6
511.29004	0.5
529.30127	3.3
553.72748	0.2
670.36029	0.5
774.27332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02903	1.0
78.95902	100.0
80.96435	0.9
85.02949	11.1
87.00868	3.4
93.03465	7.6
96.96959	7.6
99.04516	1.1
101.02100	1.0
109.02953	1.7
111.04488	1.7
117.03461	2.3
127.03992	2.8
135.04480	1.0
145.02954	5.7
152.99580	55.1
159.04466	1.0
160.05228	1.3
162.69597	0.9
171.00641	13.7
171.02855	1.1
172.05266	3.0
173.04564	1.0
173.05968	1.1
187.04109	1.0
191.05606	40.4
192.05989	1.5
197.05989	2.1
199.04001	9.4
200.04715	4.6
202.06363	1.8
211.04048	1.1
213.05518	1.8
224.04852	1.1
225.04909	1.0
226.94135	0.9
227.03484	16.3
228.04266	7.5
232.03772	1.0
242.05753	1.6
245.04073	1.5
251.07259	1.2
283.13406	16.7
298.72919	1.0
301.14474	4.4
309.15002	6.2
309.46094	1.0
311.12918	8.3
312.13205	1.0
314.23407	1.0
325.14182	1.7
327.12274	1.8
327.15939	3.5
329.13858	3.9
335.12769	4.6
343.15402	2.3
345.17160	1.9
353.09570	1.5
353.13962	19.8
371.14890	17.5
427.17459	4.5
433.10886	1.2
445.18506	2.7
446.01544	1.1
507.14249	1.6
581.18188	5.5
599.19073	8.2
617.38300	4.7
773.24249	1.4
791.25452	4.3
835.40344	36.9
835.56195	1.9
836.39893	5.6
1027.46692	99.5
1028.46899	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02903	1.0
78.95902	100.0
80.96435	0.9
85.02949	11.1
87.00868	3.4
93.03465	7.6
96.96959	7.6
99.04516	1.1
101.02100	1.0
109.02953	1.7
111.04488	1.7
117.03461	2.3
127.03992	2.8
135.04480	1.0
145.02954	5.7
152.99580	55.1
159.04466	1.0
160.05228	1.3
162.69597	0.9
171.00641	13.7
171.02855	1.1
172.05266	3.0
173.04564	1.0
173.05968	1.1
187.04109	1.0
191.05606	40.4
192.05989	1.5
197.05989	2.1
199.04001	9.4
200.04715	4.6
202.06363	1.8
211.04048	1.1
213.05518	1.8
224.04852	1.1
225.04909	1.0
226.94135	0.9
227.03484	16.3
228.04266	7.5
232.03772	1.0
242.05753	1.6
245.04073	1.5
251.07259	1.2
283.13406	16.7
298.72919	1.0
301.14474	4.4
309.15002	6.2
309.46094	1.0
311.12918	8.3
312.13205	1.0
314.23407	1.0
325.14182	1.7
327.12274	1.8
327.15939	3.5
329.13858	3.9
335.12769	4.6
343.15402	2.3
345.17160	1.9
353.09570	1.5
353.13962	19.8
371.14890	17.5
427.17459	4.5
433.10886	1.2
445.18506	2.7
446.01544	1.1
507.14249	1.6
581.18188	5.5
599.19073	8.2
617.38300	4.7
773.24249	1.4
791.25452	4.3
835.40344	36.9
835.56195	1.9
836.39893	5.6
1027.46692	99.5
1028.46899	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	2.2
73.02949	0.8
81.03461	1.1
83.01385	0.4
83.05025	1.3
85.02946	20.3
87.00874	4.0
93.03455	8.6
95.01390	0.9
99.04507	0.6
101.02486	0.5
109.02931	2.0
111.04525	1.9
113.02412	0.6
127.04008	4.8
133.02948	0.8
134.03745	0.5
135.04515	1.4
135.44044	0.3
137.02435	0.5
139.83926	0.3
143.03470	0.4
153.01955	0.4
155.03522	0.7
159.04527	1.3
160.05342	0.5
161.02353	0.4
163.11337	0.4
171.02980	1.4
171.04410	0.4
172.05255	3.9
173.04535	2.6
173.05913	0.6
183.04471	0.9
185.06114	0.7
186.06839	0.4
187.04015	0.9
191.05597	100.0
192.05942	3.0
193.06145	0.3
197.06113	1.2
198.06830	0.4
199.03983	8.6
200.04758	3.5
201.05499	0.8
202.06317	0.6
204.04298	0.7
209.11807	4.3
211.04001	1.9
211.07542	0.3
213.05499	0.6
214.06342	0.7
218.64859	0.3
225.05630	0.3
227.03477	23.1
228.04247	9.5
229.04616	0.7
239.14433	0.4
257.15466	0.5
267.13879	0.8
283.13391	23.9
284.13684	1.9
301.14404	3.4
307.13220	0.5
309.14944	6.3
310.15216	0.4
311.12842	7.1
312.13275	0.5
325.14410	2.7
326.14645	0.4
327.12189	2.0
327.16000	2.7
329.13898	1.5
345.13303	0.4
345.17209	0.4
353.13898	17.4
354.14273	1.2
371.15018	3.8
410.55466	0.3
445.18494	0.4
589.22662	0.7
607.23840	3.9
608.23712	0.4
773.34088	5.1
774.34790	0.6
775.35925	0.5
791.38373	1.1
799.35535	1.8
817.36450	57.8
818.36829	8.6
835.37225	4.0
836.38000	0.8
991.41949	1.3
1009.42737	21.1
1010.42938	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	1011.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.9
73.02947	3.6
80.48390	1.9
85.02934	2.8
87.00885	3.7
89.02419	9.9
101.02435	11.4
113.02419	5.9
119.03517	2.1
125.02423	5.2
179.05630	4.5
190.33939	2.4
195.13879	7.4
221.06972	2.0
223.13318	3.1
229.73529	2.3
235.08345	4.0
253.09384	2.2
275.20166	6.5
277.21698	35.6
293.21222	100.0
294.21487	5.6
305.08746	2.0
379.12564	4.2
397.13437	38.9
415.14536	11.0
675.35907	2.8
826.88800	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	1014.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
115.01757	65.3
142.64049	69.7
154.04156	70.6
397.13507	88.4
448.05582	70.9
579.36212	79.5
900.91193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
74.75777	13.9
78.95908	64.4
89.57961	17.4
90.80920	16.3
113.73009	15.3
135.04518	22.2
143.13806	17.5
152.99567	50.4
155.74045	16.6
157.36801	15.0
167.00279	16.9
191.05617	35.2
277.21820	19.1
552.75024	19.4
1027.46582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.9
71.30161	0.5
73.02955	0.6
81.03448	1.5
83.01393	0.4
83.05021	1.4
85.02947	14.2
86.03259	0.3
87.00872	4.5
91.60962	0.2
93.03457	16.6
94.03771	0.4
99.00871	0.3
99.04541	0.6
101.02412	0.5
105.03510	0.3
108.02175	1.3
109.02943	2.7
111.04518	2.7
113.02446	0.6
119.04983	0.3
121.02949	0.8
122.03741	0.4
123.04493	0.3
125.02464	0.6
127.04010	3.6
129.01945	0.4
133.02950	1.0
134.03732	0.6
135.04530	1.9
136.01671	0.6
137.02438	19.3
138.02789	0.5
143.03542	0.3
147.04558	0.3
155.03493	0.9
159.04500	2.2
161.02489	0.4
163.11273	0.6
171.02972	1.0
172.05252	0.4
173.04536	3.0
173.05931	0.4
174.03224	0.9
174.06892	0.8
176.04782	0.4
179.03563	0.4
185.06071	0.4
187.04005	3.7
187.07581	0.5
188.04738	2.3
191.05602	100.0
192.05963	2.5
197.06081	1.1
198.06766	0.5
201.05664	0.4
202.06299	0.5
204.04379	0.3
209.11813	7.3
211.13368	0.5
225.14912	4.7
227.12749	0.5
251.12782	0.3
253.09296	0.7
257.15417	0.5
281.15442	0.4
283.13467	1.5
297.14987	0.3
299.16479	4.7
301.14697	0.4
309.14963	4.5
310.15244	0.3
317.17584	1.1
325.14432	0.9
327.12125	0.5
327.15991	11.0
328.16232	0.6
343.15234	0.3
345.16962	1.5
353.13828	1.3
581.25946	0.7
618.50018	0.3
715.35754	1.3
773.37378	0.7
791.38281	4.2
792.38550	0.5
799.32538	0.3
817.36499	5.7
818.36859	0.5
835.37201	3.0
853.38489	0.4
889.40704	19.0
890.41095	2.6
991.41937	0.5
1009.42786	4.4
1010.42682	0.6
1027.43835	36.7
1028.44299	7.2
1057.32947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.9
73.02950	0.5
74.33279	0.5
81.03453	3.0
83.05024	2.6
83.54539	0.6
85.02945	13.8
87.00877	11.1
93.03458	61.5
94.03802	1.3
95.05016	1.2
99.00917	1.4
99.04532	0.8
105.03458	4.0
106.04227	0.6
107.05016	1.1
108.02167	2.1
109.02940	5.2
111.00869	0.8
111.04520	6.0
113.02388	0.5
121.02924	1.8
123.04466	1.4
124.01659	3.3
125.02438	1.1
127.04028	3.9
129.01904	1.0
132.02176	3.3
133.01923	1.0
133.02960	32.6
134.03780	7.9
135.04523	62.7
136.04898	1.7
137.02432	3.5
139.04013	1.2
142.64403	0.6
149.02441	1.4
150.03210	2.5
151.04016	5.7
155.03537	2.8
160.01642	3.8
161.02443	8.2
161.72060	0.5
163.04045	0.6
171.03008	0.8
173.04547	12.3
173.06029	0.8
174.04813	0.5
177.01941	7.5
178.02708	5.0
179.03494	12.4
180.04102	0.6
191.05606	86.7
192.05965	2.6
199.80084	0.6
201.05647	0.6
209.11789	4.7
211.13347	1.7
215.05617	4.4
227.12885	0.6
228.04343	0.5
249.07388	0.6
283.13205	1.1
301.14536	0.6
307.08206	2.1
308.08957	1.9
309.14969	2.0
325.14450	0.8
327.16089	3.1
343.15378	0.7
345.16815	0.7
351.07196	10.8
352.07867	1.9
353.13998	3.4
397.49561	0.6
773.36023	1.3
791.38953	1.3
799.34833	1.7
816.35535	0.7
817.36377	26.2
818.36877	4.4
835.37347	3.4
967.67468	0.6
991.42188	1.0
1009.42792	100.0
1010.42938	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	1009.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.7
73.02938	0.6
80.11018	0.2
81.03462	1.1
83.05016	1.1
85.02943	17.2
87.00871	3.8
93.03458	7.5
95.01365	0.5
95.05054	0.4
98.19910	0.8
99.04534	0.8
101.02423	0.7
109.02940	2.2
111.04512	2.0
113.02425	0.4
125.02453	0.3
127.04003	4.0
154.18567	0.2
155.03461	0.4
156.05795	0.3
158.03674	0.4
159.04475	1.2
160.05312	0.5
161.02328	0.3
171.02971	1.3
171.04417	0.5
172.05287	4.0
173.04524	1.8
173.05898	0.6
183.04523	0.9
184.05190	0.3
185.06053	0.8
187.03981	1.2
191.05592	100.0
192.05893	1.9
197.06108	0.6
199.03998	7.1
199.07701	0.3
200.04762	2.8
201.05443	0.8
202.06255	0.9
204.04269	0.7
209.11816	4.4
211.03931	1.3
211.07747	0.4
213.05609	0.7
214.06348	0.6
227.03473	19.9
228.04227	8.9
229.04808	0.7
229.19273	0.3
232.03722	0.4
241.12273	0.3
255.13927	0.4
257.15460	0.6
260.80597	0.3
267.13785	0.4
281.15491	0.5
283.13367	25.8
284.13626	1.6
301.14401	4.1
307.13327	0.5
309.14932	5.6
311.12875	7.8
312.13150	0.6
325.14365	3.1
327.12299	1.9
327.15994	3.3
329.13931	2.1
335.12872	0.6
343.15399	0.5
345.13358	0.3
345.17020	0.5
353.13901	16.2
354.14310	1.2
371.14926	4.1
427.17688	0.3
445.18878	0.5
563.21960	0.3
577.08069	0.3
581.25220	0.4
589.22559	0.5
607.23846	4.1
608.24127	0.6
613.64410	0.3
619.84601	0.3
747.35114	0.6
755.33551	0.4
773.33936	6.6
774.34924	1.2
775.35175	0.6
789.37189	0.4
791.38031	1.3
792.38361	0.3
799.35358	0.8
817.36444	67.1
818.36774	11.4
835.37531	4.7
836.37854	0.5
1009.42792	10.9
1010.42963	2.5
1026.33838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75024	1.9
71.01376	3.6
72.99319	0.5
73.02968	0.4
77.87667	0.3
81.03452	1.0
83.01389	0.4
83.05038	1.4
85.02946	17.7
87.00869	4.1
89.02437	0.6
93.03458	10.0
95.01351	0.4
97.02954	0.8
99.04543	0.6
101.02443	0.6
108.02184	0.4
109.02959	2.1
109.06580	1.6
111.04522	2.2
113.02452	0.4
118.61304	0.4
125.02442	0.6
127.04018	3.6
130.04242	0.4
133.02934	0.7
134.03679	0.4
135.04533	0.7
155.03496	0.5
158.03755	0.5
159.04471	1.6
160.05267	0.5
161.02422	0.5
163.11230	1.1
163.12439	0.4
171.02995	1.1
171.04456	0.5
172.05290	5.4
173.04538	2.6
173.06049	1.1
174.03146	0.8
177.02028	0.3
177.34824	0.4
181.12277	0.5
183.04559	0.7
185.06024	0.6
186.06839	0.6
187.03981	1.4
191.05597	100.0
192.05898	2.2
197.06065	0.7
198.06804	0.4
199.04008	6.4
199.07574	0.4
200.04810	3.3
201.05481	0.9
202.06317	1.4
204.04260	1.2
207.10234	3.7
209.11722	0.7
211.03955	1.3
212.04713	0.4
213.05623	0.8
214.06293	0.6
215.61812	0.4
225.11348	1.0
227.03487	15.2
228.04222	5.7
240.04111	0.4
246.05223	0.4
255.13919	0.5
257.15405	0.6
267.13931	0.5
281.15280	0.5
283.13382	26.2
284.13696	2.0
301.14450	4.7
307.13248	0.8
309.14917	5.9
311.12833	6.0
312.13229	0.6
325.14499	2.7
326.14673	0.5
327.12320	1.9
327.16006	4.0
329.13779	1.7
343.15387	0.5
345.17206	0.8
351.12329	2.2
353.13922	12.9
354.14191	0.9
369.13260	0.7
371.14969	4.1
503.33591	0.6
535.29034	0.5
545.20264	0.5
563.20850	0.4
581.26001	0.8
607.23895	4.3
717.78107	0.4
745.34424	0.4
771.32928	5.5
772.34369	0.7
773.34485	1.0
787.35400	0.5
789.36786	3.3
790.37140	0.7
797.33582	2.3
815.34894	65.1
816.35193	11.3
833.35962	8.7
834.36090	1.7
989.41486	1.7
1007.41180	11.3
1008.41797	2.4
1040.96069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39330	100.0
78.10755	66.7
78.97285	70.7
120.82843	75.4
244.03026	76.7
278.11728	72.6
284.21484	80.6
513.03015	71.5
652.39020	76.2
836.32422	76.3
960.00354	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02138	0.3
83.01373	0.8
85.02953	0.5
87.00849	0.7
87.53813	0.3
93.03442	2.3
95.05009	0.4
105.03431	1.1
107.01380	2.7
108.02171	1.0
109.02949	1.7
121.02959	1.8
125.02453	0.6
133.02956	7.0
134.03651	0.4
135.00854	0.8
135.04536	1.4
137.02448	0.6
143.50514	0.3
148.01689	0.9
151.00357	9.5
159.04486	0.3
159.22392	0.3
161.02391	1.2
163.00377	2.4
167.04939	0.3
169.01361	0.5
173.04500	2.0
173.05827	0.4
177.01912	3.8
178.02660	0.8
178.99866	4.9
179.03474	0.6
183.04382	0.4
187.03909	0.5
190.99789	0.4
191.05602	6.3
199.03961	0.3
201.01950	0.4
201.05542	0.7
211.03957	1.2
215.05556	0.3
216.04247	0.4
226.02666	0.9
227.03502	1.8
229.04944	0.7
239.03500	0.4
243.02963	5.3
245.04550	1.4
254.02174	1.3
255.02972	14.6
256.03415	0.8
257.04477	0.4
271.02460	29.4
272.02927	2.5
273.04099	0.8
283.02585	1.3
299.02014	0.8
300.02728	57.9
301.03485	42.4
302.03772	2.0
351.07172	2.0
369.09726	0.9
387.10757	0.5
447.09283	100.0
448.09583	7.9
561.16156	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	1005.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.1
71.52950	0.5
72.99336	0.4
73.02958	0.8
81.03481	0.9
83.05027	0.8
85.02947	18.8
87.00873	3.7
89.02441	0.9
93.03459	8.5
95.01376	0.7
96.95999	0.5
97.02921	0.5
99.04533	0.6
101.02430	1.0
108.02182	0.6
109.02945	2.3
111.04516	1.8
113.02469	0.8
125.02431	0.9
127.04011	4.5
137.02457	0.8
143.03545	0.3
153.01929	0.4
155.03473	0.8
159.04498	1.2
160.05266	0.6
171.02986	1.2
171.04376	0.4
172.05296	4.2
173.04526	2.2
173.06035	0.8
174.03212	0.4
177.01962	0.3
183.04539	0.9
185.06094	0.9
186.06741	0.7
187.03925	1.2
188.64220	0.3
191.05602	100.0
192.05942	2.1
195.13837	0.6
197.06090	0.8
198.06898	0.4
199.03998	7.5
200.04730	2.6
201.05624	0.7
202.06288	0.8
204.04312	0.6
205.12271	0.4
209.11824	0.4
211.03972	1.3
213.05507	0.4
216.11107	0.4
223.13351	1.3
226.02826	0.5
227.03477	17.3
228.04256	6.3
232.03685	0.5
246.99045	0.4
255.13846	0.6
259.26730	0.4
267.13837	0.7
281.15451	0.6
283.13391	22.8
284.13593	1.3
285.90637	0.4
291.81329	0.4
300.99930	0.7
301.14389	3.1
307.13434	0.4
309.14963	5.4
311.12918	6.1
312.13358	0.4
325.14401	2.2
326.15067	0.4
327.12219	1.9
327.16013	3.4
329.13937	1.7
329.23364	0.8
335.12805	0.5
353.13898	13.9
354.14258	1.2
358.32925	0.4
371.14890	3.7
501.32410	0.4
565.22699	0.6
567.36163	0.6
589.22418	0.6
593.34930	0.4
607.23822	4.0
692.81293	0.4
743.35938	0.6
745.45520	0.4
769.34479	5.2
770.35675	0.7
771.35773	1.3
787.39380	2.0
795.35645	0.7
813.37000	66.8
814.37494	9.9
831.37744	4.9
832.38867	0.5
843.45227	5.9
844.45044	1.1
885.45856	0.7
987.41968	1.3
1005.43378	8.5
1006.43811	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	1007.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98392	0.6
71.01376	5.1
75.66786	0.6
77.03969	0.7
78.95878	0.6
81.03452	3.3
83.05026	2.2
85.02947	13.3
87.00874	13.6
89.03967	0.8
93.03455	77.0
94.03781	1.3
95.01386	0.8
95.05037	1.8
97.02946	1.0
98.19841	1.3
99.00887	1.0
99.04524	1.2
102.05434	0.6
105.03446	5.7
107.05019	1.0
108.02153	1.8
109.02956	5.5
111.00868	0.7
111.04523	8.1
113.02423	1.1
117.03463	0.6
121.02973	1.9
123.04534	1.5
124.01647	3.3
125.02458	1.9
126.03115	0.9
127.03986	3.5
129.01958	0.9
132.02165	4.5
133.02957	36.0
134.03769	8.9
135.04520	79.7
136.04852	1.2
137.02420	4.9
139.03983	1.6
149.02434	0.9
150.03194	3.1
151.03989	6.8
155.03517	3.1
160.01692	3.1
161.02419	9.5
163.03957	1.1
171.03058	0.8
173.04539	16.5
174.03207	0.6
177.01904	8.0
178.02681	5.2
179.03503	15.7
189.66055	0.6
191.05600	93.1
192.05916	2.5
207.10243	1.3
211.13319	1.3
215.05592	6.8
225.11230	1.3
283.13376	1.1
290.08060	0.8
301.14307	1.1
301.32803	0.6
307.08267	1.8
308.08948	3.9
309.14923	1.6
325.14355	0.9
327.15924	1.6
351.07159	12.0
352.07816	2.6
353.13968	2.0
607.24335	1.3
771.34998	1.7
789.36957	1.7
797.33899	2.7
815.34937	27.9
816.35352	3.7
833.35907	3.5
847.86743	0.8
984.36084	0.7
989.39899	1.6
1007.41223	100.0
1008.41357	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	1005.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84764	1.4
71.01366	1.6
81.03420	1.5
83.05017	1.5
85.02952	20.9
85.03451	1.2
85.27639	1.0
87.00873	4.2
93.03468	16.5
109.02958	2.2
111.00945	1.2
111.04512	2.9
125.02487	1.4
127.04011	3.4
153.30341	1.2
161.02455	3.3
171.03061	1.6
173.04535	4.5
191.05603	87.1
197.02414	1.8
199.04039	1.4
201.05551	1.6
213.01839	1.5
224.18855	1.1
227.03485	11.9
251.03586	1.6
253.01392	4.9
259.04053	1.3
263.03717	1.6
269.06036	1.9
269.77777	1.5
273.05447	2.3
277.05170	1.8
279.03030	4.3
285.05484	2.3
287.03665	1.6
287.07040	2.3
288.04230	3.1
289.04980	4.8
289.08228	1.4
291.06488	2.4
292.03812	1.8
293.04526	3.2
297.05524	3.4
299.06891	2.0
300.04114	2.2
301.05118	6.5
302.05939	1.5
303.02866	4.6
303.06494	2.4
304.03741	5.6
305.04666	6.3
306.05176	1.4
307.06107	2.6
308.03070	2.4
309.04230	1.4
309.07626	1.6
313.05127	4.3
315.06589	4.2
316.03775	3.5
317.04544	19.5
317.08142	2.1
318.05185	3.5
319.02423	9.8
319.06067	6.5
320.03131	3.6
321.04111	7.4
321.07239	1.4
325.05057	6.9
327.02948	2.6
329.04391	9.0
330.05200	5.1
331.02344	4.2
331.06064	3.0
332.03271	16.6
333.04022	10.0
333.07562	2.2
334.04666	2.5
335.05582	9.1
335.09158	1.8
338.55963	1.3
340.03696	1.8
341.04565	9.0
342.05316	3.4
343.02237	2.2
343.06027	15.2
344.03217	1.6
345.03940	12.9
345.07736	9.2
346.04675	3.7
347.05566	13.8
348.06000	1.9
353.04462	8.7
354.05273	3.1
355.02396	4.8
356.03433	5.8
357.03955	3.9
358.04657	1.5
359.01859	9.8
359.05670	4.4
360.02393	2.1
361.03299	4.1
361.07187	5.1
363.08670	4.2
369.03992	16.8
370.04691	7.5
371.01614	2.3
371.05591	34.0
372.02753	5.3
372.06778	1.7
373.03510	32.5
374.04166	3.6
379.48413	1.3
385.03513	3.8
386.04337	1.7
387.00717	2.1
387.05118	15.2
388.05902	2.4
389.06665	20.7
390.06943	2.2
397.03464	15.1
398.04132	3.1
399.01367	3.0
407.07700	7.3
413.03018	4.3
415.04553	40.7
416.04868	3.4
417.01968	1.3
433.05530	13.6
441.02542	4.6
451.06277	1.5
518.25842	1.2
535.08960	1.9
553.10205	7.0
563.12073	2.9
577.10077	2.6
589.09821	1.7
593.08472	1.4
607.10876	27.3
608.11218	2.0
621.08917	17.0
622.08789	1.7
650.13684	1.6
651.09918	59.5
652.09869	6.1
744.15344	2.4
769.16400	5.4
799.17346	13.2
813.15210	39.5
814.15662	4.8
843.16235	100.0
844.16510	13.6
1005.21405	31.7
1006.21667	5.7
1027.57507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.0
71.54594	0.9
72.99306	0.9
81.03444	1.4
83.05041	0.6
83.82778	0.5
85.02943	10.0
85.23083	0.5
87.00880	5.2
89.02441	1.6
89.03964	0.6
93.03452	24.6
95.01374	0.6
95.05020	0.5
99.00889	0.6
99.04559	0.6
99.58842	0.7
101.02438	1.1
107.05022	0.5
108.02161	3.0
109.02955	2.8
111.04496	2.5
113.02467	1.4
113.65404	0.5
115.00340	0.5
117.03423	0.6
121.02959	1.1
121.06548	0.7
122.03740	0.5
123.04491	0.7
127.03991	2.0
129.01926	1.1
132.02162	1.9
133.02957	19.2
134.03745	13.7
135.04530	38.9
136.01654	5.1
136.04845	0.9
137.02438	33.3
151.04004	3.0
151.07623	2.3
153.01974	1.0
154.02702	2.7
155.03522	0.9
160.01666	5.0
161.02437	64.3
162.02805	1.8
163.03905	0.5
171.03017	4.2
173.04536	15.5
173.06041	0.8
177.01913	1.7
178.02638	2.4
179.03488	23.0
180.03897	1.0
187.07744	0.6
189.04047	2.1
191.05600	85.7
192.05945	1.6
195.06606	1.1
229.14610	0.6
231.10197	2.2
232.05843	0.8
233.06609	2.7
257.08206	3.4
264.05069	0.5
265.49261	0.5
275.09113	1.1
277.85928	0.5
293.10349	1.9
305.12506	0.7
309.08170	0.5
329.41980	0.5
331.11853	2.0
351.07230	0.7
352.08014	0.9
369.08246	1.1
370.09094	7.3
375.12860	4.8
395.63721	0.5
431.13510	0.5
449.14526	7.0
450.14746	0.7
467.15555	100.0
468.15942	7.2
537.16101	42.0
538.16455	3.0
656.22607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	4.1
75.61191	0.8
81.03464	3.8
83.05023	1.8
85.02950	10.4
87.00874	13.1
88.98806	2.8
89.02412	0.7
93.03454	70.2
94.03829	0.8
95.05055	1.6
97.53580	0.9
99.00829	1.3
105.03447	5.4
107.05036	0.9
108.02161	1.5
109.02930	4.0
111.00810	0.8
111.04536	6.1
112.83222	0.8
113.02472	1.1
116.92879	4.8
121.02946	1.1
123.04505	1.0
124.01646	2.9
125.02476	1.5
127.04002	2.1
129.01927	1.6
132.02151	3.5
133.02956	28.4
134.03758	6.0
135.04521	46.9
136.04848	1.9
137.02444	5.0
139.03972	1.5
150.03195	2.0
151.04010	4.5
155.03497	1.7
160.01636	2.4
161.02415	7.8
173.04533	11.4
177.01884	6.5
178.02660	3.6
179.03482	10.9
191.05603	76.0
192.05965	2.3
203.25162	0.8
209.11871	1.3
211.13351	1.8
215.05591	4.1
223.13405	1.0
228.04077	0.8
283.13394	1.2
291.26639	0.8
307.08118	1.3
308.08923	1.7
309.15033	1.3
351.07150	6.8
352.08188	1.1
353.08887	0.9
353.13953	2.1
358.11197	0.8
607.23792	0.9
614.41888	0.9
813.36981	19.2
814.36963	3.3
831.39099	1.9
881.78943	1.0
1005.43372	100.0
1006.43561	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	1.8
69.07071	11.9
71.04980	3.9
71.08631	22.6
71.17393	1.0
71.21438	1.6
73.02913	3.6
79.05494	14.3
81.03424	10.0
81.07056	31.8
83.04968	5.3
83.08620	14.0
85.02908	18.2
85.06555	1.9
85.07651	1.4
85.10182	13.7
87.04456	3.6
91.03942	6.5
91.05490	9.6
93.07051	8.2
95.04983	5.4
95.08609	24.7
97.02875	9.4
97.06527	2.9
97.10168	15.7
99.04461	1.6
103.03932	1.5
103.09486	1.1
105.07016	3.1
107.04937	3.0
107.08588	9.1
109.10159	45.5
111.08133	2.7
111.11687	1.5
117.07024	1.7
119.08575	5.4
119.51265	1.1
121.10134	2.4
123.11705	3.6
125.09636	10.3
127.03907	2.9
129.05453	2.4
131.08572	2.2
133.10115	2.2
135.11707	3.1
137.09647	1.4
143.10683	2.5
145.04935	3.7
145.10104	3.9
147.11644	1.2
153.12767	2.1
155.08566	1.2
155.10649	2.4
157.08617	1.2
161.72449	1.1
163.06067	2.6
163.11209	5.4
173.09578	1.0
173.11725	13.7
181.12181	3.0
191.10712	1.9
193.12239	2.2
199.13312	8.1
209.11671	6.4
227.12779	7.3
229.14360	43.5
239.23752	4.2
257.24744	2.0
267.15897	4.6
283.15439	3.8
301.16467	17.9
313.27365	100.0
314.27597	2.5
341.26895	1.4
360.85944	1.5
399.23865	13.9
437.36264	3.4
455.37292	9.0
467.37369	31.2
505.38715	1.7
521.38776	2.2
539.39581	13.4
557.40192	3.4
637.36469	2.2
637.46759	39.6
638.46918	2.1
1000.52148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	3.6
69.07079	11.4
69.33334	7.5
71.05003	4.6
71.08639	16.8
73.02923	1.7
75.08055	0.9
79.05499	15.2
81.03424	7.6
81.07059	38.7
83.04978	4.3
83.08624	12.3
84.90759	0.9
85.02909	6.4
85.06549	1.5
85.10184	13.3
86.02766	1.0
89.06052	1.0
91.03942	2.7
91.05489	16.5
93.07048	19.5
95.04966	4.3
95.08611	24.5
97.02892	4.5
97.06547	7.5
97.10155	5.8
99.04436	1.4
105.07037	8.5
107.04956	2.8
107.08610	15.0
109.02914	1.8
109.06518	2.2
109.10170	20.5
111.04440	1.7
111.08076	2.6
111.11753	1.1
117.07025	7.3
119.08607	6.6
121.06532	2.5
121.10159	5.9
123.08104	1.3
123.10939	1.0
123.11687	5.0
125.09627	1.4
127.03930	1.3
129.05486	1.4
129.06999	1.7
131.04919	1.1
131.08571	9.2
133.06474	1.2
133.10162	8.1
135.08064	2.4
135.11693	5.2
137.09613	1.2
137.13257	1.6
139.11131	1.0
143.08566	1.6
145.04976	1.5
145.06429	1.0
145.10130	6.8
147.08041	1.0
147.11717	4.3
149.09619	4.7
149.13258	6.6
151.11148	1.1
155.10767	1.3
159.11732	7.4
161.13286	1.5
163.05954	1.2
163.11247	3.1
165.12857	1.2
171.11723	1.2
173.11758	2.4
173.13280	2.7
177.12773	2.5
183.11737	1.8
185.13153	1.2
195.13878	2.1
227.12772	4.8
229.14372	16.5
229.19554	1.1
239.17934	1.3
239.23750	1.5
241.52820	0.9
249.14899	1.0
257.18994	5.1
257.24826	1.6
267.16025	1.6
269.17502	5.3
275.20087	13.1
293.17648	1.9
293.20905	1.3
313.27368	62.4
314.27740	1.8
314.62634	1.0
331.22778	2.2
339.18085	4.7
349.19849	1.4
349.23764	15.9
365.20459	0.9
373.18872	1.3
381.26544	2.6
395.20511	1.1
413.21756	12.6
467.37360	16.4
468.07214	1.0
468.13889	0.9
507.40488	100.0
508.40585	3.8
547.43359	3.5
573.41870	0.9
587.46729	33.1
605.47534	3.2
615.42743	1.1
619.49548	11.8
633.43915	1.5
651.44904	10.8
657.89056	0.9
669.44415	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	1001.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.9
72.99312	0.9
73.02953	1.4
73.77405	0.6
78.95896	1.3
83.01390	1.1
83.05058	0.8
85.02939	5.6
87.00865	3.4
89.02454	8.9
93.03424	1.3
93.42428	0.7
96.96027	3.8
97.02969	2.6
97.06573	2.7
98.19840	1.3
101.02432	6.7
113.02464	4.8
116.92807	0.9
119.03507	1.7
121.02943	0.8
123.64014	0.7
125.02428	4.0
125.09710	1.3
137.09654	1.0
143.03465	1.8
155.10759	1.2
161.04549	1.7
163.11328	1.1
165.12830	1.9
165.25197	0.7
167.10774	0.7
171.10258	14.7
177.12733	0.7
179.05621	3.1
179.14386	0.8
183.13867	2.6
185.11797	0.9
191.05647	3.4
193.12439	1.2
195.13866	5.5
197.11877	1.2
202.19830	0.6
209.11804	2.6
211.13377	13.9
212.13814	0.7
221.06778	1.1
221.11800	2.7
223.13445	3.4
229.14426	9.9
235.08243	2.9
239.12834	1.8
253.09357	1.4
256.13214	1.0
275.20166	2.8
291.19705	6.4
293.21219	55.0
294.21494	3.2
305.08881	1.0
309.20682	14.6
310.20963	1.3
327.21741	100.0
328.22174	6.3
397.08289	1.4
397.13480	26.0
398.13885	1.9
415.14581	23.1
416.14862	1.4
535.09143	0.8
573.93097	0.8
603.42609	5.5
691.35223	3.9
707.35028	5.6
725.35699	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	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	8.1
69.07069	24.5
69.65914	4.7
71.04990	3.2
71.08623	0.8
73.02914	2.6
77.03915	1.6
79.05496	71.9
80.05843	0.8
81.03424	11.2
81.07057	84.5
83.04987	8.6
83.08620	13.4
83.53191	1.0
85.02904	11.9
85.06538	2.9
91.03953	3.7
91.05480	53.3
93.07045	74.8
94.07392	0.9
95.04960	9.1
95.08609	55.4
97.02888	9.3
97.06528	10.1
97.10171	6.1
99.04469	2.4
99.08102	3.4
103.05480	1.4
105.04535	2.1
105.07035	39.5
107.04958	5.9
107.08595	43.8
109.02890	2.5
109.06526	6.7
109.10162	21.9
111.08092	6.0
113.09647	0.8
115.05457	2.0
117.07020	18.7
119.08576	25.6
120.91879	0.8
121.06496	3.0
121.10147	27.6
123.04472	0.8
123.08077	2.9
123.11713	7.4
125.09631	3.7
127.03931	5.1
128.06239	1.9
129.05498	1.2
129.06985	5.0
130.07770	1.6
131.08562	23.5
133.06490	2.3
133.10138	23.9
135.08044	3.6
135.11691	19.9
137.09639	3.0
137.13239	1.5
139.11133	1.3
141.06943	1.8
142.07764	1.5
143.08583	5.2
144.09297	1.2
145.04984	1.7
145.06503	1.3
145.10114	19.2
147.08127	1.4
147.11713	12.8
149.09621	8.7
149.13255	16.4
151.07518	0.9
151.11182	2.6
155.08568	2.5
157.10144	4.8
159.08092	1.3
159.11693	15.8
161.09627	2.2
161.13251	6.7
163.06149	1.7
163.11160	4.8
163.14799	2.3
165.12706	1.5
169.10135	3.1
171.11694	3.6
173.04433	4.1
173.13263	8.3
175.11288	1.1
175.14804	2.5
176.82814	0.8
177.12764	3.0
177.16325	1.3
179.14244	1.1
183.11711	3.3
185.13199	3.8
187.14854	4.1
189.11235	1.8
189.16310	1.3
195.12003	1.0
195.13826	3.8
197.13321	2.2
199.14821	1.9
201.12717	0.9
201.16423	1.5
207.13820	0.9
211.14836	1.2
213.16524	1.2
215.14159	1.0
215.18042	0.9
217.15933	1.1
225.16315	0.9
227.12799	2.7
229.14395	2.4
229.19559	1.0
235.16870	1.7
239.17944	3.2
241.19588	1.0
243.11977	0.8
243.21042	3.9
247.20491	1.8
255.15871	6.9
257.19089	6.2
259.20596	2.9
261.22150	13.0
267.15909	2.6
268.15894	0.8
269.17487	29.9
275.20050	21.2
276.20526	0.9
291.19540	1.1
293.21121	2.0
309.20609	3.7
317.24738	3.2
331.22653	2.6
333.24170	2.0
335.25806	100.0
336.26202	2.3
339.18207	1.4
349.23755	21.8
367.24857	4.1
383.21631	0.9
413.21564	2.6
419.33182	0.9
437.34125	2.3
455.34595	1.1
489.35547	2.9
515.37372	16.2
517.40350	1.0
529.38904	94.0
530.39496	4.1
535.41522	0.9
569.41962	9.1
609.45178	31.7
610.45612	1.8
627.46149	12.4
673.42987	3.1
685.25183	0.9
753.49243	1.6
771.50079	1.3
987.51917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.5
69.07070	15.8
69.13725	14.3
71.04993	1.8
73.02921	2.5
77.03913	1.9
79.05495	43.1
81.03403	2.0
81.07060	43.8
83.04979	3.1
83.08615	9.6
85.02905	11.4
85.06533	2.9
91.03954	8.1
91.05487	49.9
93.07046	48.8
95.04980	3.5
95.08608	38.9
97.02898	8.9
97.06528	2.7
97.10164	6.4
103.05460	1.8
105.07041	42.4
107.04998	2.5
107.08601	24.1
109.06512	2.3
109.10164	12.3
111.08073	1.8
113.37303	1.5
115.05444	3.4
117.07025	25.1
119.07723	1.8
119.08584	35.8
121.10140	19.9
121.99566	1.6
123.08054	3.1
123.11697	3.8
125.09692	1.6
127.03928	1.6
128.06224	6.6
129.05447	1.6
129.07010	15.6
130.07777	2.2
131.08575	31.1
133.10149	31.1
135.11702	13.2
137.09482	1.8
140.53343	1.4
141.07016	9.0
142.07765	2.9
143.08572	17.9
145.04955	3.2
145.09071	2.3
145.10133	30.0
147.11681	15.5
148.12000	1.8
149.09583	2.0
149.13237	5.4
155.08571	10.3
157.10126	21.4
159.11678	22.5
161.13255	9.6
163.05969	3.0
163.11179	2.6
163.14771	3.0
167.08543	5.4
169.10124	13.9
171.11711	16.5
173.09677	2.3
173.13208	9.1
175.14769	4.2
179.08536	2.3
181.10089	8.0
182.10825	1.6
183.11719	16.8
185.13240	10.3
187.14801	5.5
189.12856	1.8
189.16394	3.1
193.10190	3.0
194.85568	1.6
195.11656	7.8
197.13271	12.9
199.14839	7.5
201.16389	2.4
207.11755	1.9
209.13242	8.5
211.14874	7.8
213.16431	4.3
221.13191	2.8
223.14839	6.6
225.16341	4.1
235.14784	3.2
237.16367	3.7
239.17972	5.1
241.19621	2.4
249.16519	1.8
251.17969	4.0
255.17415	2.0
257.18979	6.4
259.20529	8.2
263.17969	2.8
267.21210	1.8
271.20468	2.7
281.18961	1.6
297.21954	1.7
323.23520	2.0
327.23334	1.8
331.22775	1.8
333.24271	6.1
335.26227	2.0
337.25089	1.8
351.26550	2.2
393.32059	1.6
409.30322	1.5
433.30615	1.5
447.31757	1.6
473.32736	2.0
475.34576	1.5
479.05475	1.5
501.35983	2.7
517.40167	10.6
535.41492	4.7
539.37592	2.4
541.38867	1.8
591.43970	11.5
609.45154	100.0
610.45026	5.2
633.44513	2.0
735.47882	2.3
753.48175	3.9
771.49963	7.5
986.58563	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	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	9.3
69.07069	27.5
69.27007	3.1
69.27431	5.1
71.05009	4.7
73.02908	2.1
77.03931	1.2
78.04687	1.0
79.05492	68.8
80.05820	0.9
81.03423	11.8
81.07056	94.7
81.62300	0.9
83.04980	9.0
83.08620	13.8
85.02905	11.8
85.06531	2.6
87.04462	0.9
91.03944	3.7
91.05479	50.1
93.07043	73.2
95.04960	10.6
95.08610	53.4
97.02895	8.2
97.06534	11.5
97.10166	5.8
99.04446	1.6
99.08096	3.1
103.05446	1.4
105.04503	2.3
105.07033	37.3
107.04945	4.6
107.08598	38.8
108.08919	0.8
109.02860	1.9
109.06516	5.7
109.10161	23.7
111.08073	4.1
115.03973	0.8
115.05440	2.2
117.07013	16.8
117.07770	1.7
119.08583	30.8
121.06503	3.1
121.10152	28.5
123.04423	1.5
123.08081	4.9
123.11683	6.0
125.09625	3.5
127.03925	4.9
128.06192	1.5
129.05504	1.9
129.07004	6.5
130.01059	0.9
130.07790	1.0
131.08571	23.0
133.06499	0.9
133.10130	22.6
134.10416	1.4
135.08029	3.9
135.11699	21.0
137.09589	3.1
137.13210	1.6
139.07503	1.0
139.11205	1.1
141.06966	2.4
143.08559	4.9
144.09242	1.1
145.04950	2.2
145.06477	1.7
145.10130	18.2
147.08026	1.4
147.11674	12.5
149.09622	9.1
149.13266	14.5
151.11200	1.8
155.08557	2.7
156.09332	1.3
157.10149	4.6
159.08022	1.0
159.11700	13.9
161.09627	1.4
161.13246	6.4
163.06064	1.3
163.11157	5.5
163.14786	3.2
165.12718	1.3
169.10118	2.6
171.11623	5.1
173.04460	4.0
173.09547	0.9
173.13242	8.9
175.11171	1.7
175.14911	1.9
177.12744	3.8
179.14256	1.1
181.12247	1.1
183.11659	2.5
185.13242	2.9
187.11189	1.3
187.14824	3.2
189.11169	2.4
189.12791	1.2
189.16336	1.5
195.11909	0.9
195.13809	4.8
197.13239	2.0
199.14806	1.6
201.16330	1.2
203.14325	1.1
219.17497	1.2
227.12813	4.2
229.14236	2.5
229.19464	1.8
239.17967	2.8
243.21097	4.0
247.20773	1.2
253.14294	1.0
255.15897	7.3
257.18997	5.1
259.20654	3.0
261.22186	10.8
267.15994	1.6
269.17484	22.7
275.20062	24.6
277.21768	1.2
293.20987	2.1
300.60367	1.1
309.20563	2.2
317.21194	1.2
317.24774	3.2
331.22760	2.1
333.24222	2.0
335.25812	100.0
336.26083	2.5
349.23709	21.5
367.24857	3.6
369.24158	1.9
413.21661	3.0
431.31931	1.2
479.30045	1.1
489.35602	3.1
505.35452	1.2
512.18811	1.0
515.37292	20.4
529.38898	80.1
530.39392	4.1
569.42249	7.1
609.45135	37.6
609.55316	1.1
610.45917	1.1
627.46185	11.8
651.44824	1.4
673.42242	2.7
753.49292	1.7
771.50122	1.3
818.54962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	11.5
69.07069	25.0
71.05001	3.0
71.08646	1.2
73.02931	6.6
76.63461	1.1
77.03922	2.1
79.05499	78.1
81.03423	10.6
81.07061	100.0
82.07401	1.6
83.04977	9.3
83.08620	12.9
85.02912	26.7
85.06551	3.6
88.20844	1.1
91.03967	12.4
91.05486	75.8
93.07048	87.3
95.04974	11.2
95.08612	61.8
97.02898	18.5
97.06536	12.6
97.10172	5.5
98.09700	1.2
99.04472	3.1
99.08105	4.0
103.05468	2.0
105.04513	3.5
105.07038	57.4
107.04964	5.3
107.08595	49.1
109.02897	2.4
109.06506	5.9
109.10164	24.9
111.04432	2.0
111.08106	5.6
111.11737	1.5
113.09663	1.7
115.03915	1.9
115.05457	2.3
117.07023	23.8
119.08589	46.6
119.26303	1.0
121.06522	4.8
121.10147	35.3
123.08083	5.0
123.11708	6.8
125.09598	3.2
127.03932	9.8
128.06259	2.4
129.05502	3.6
129.07004	9.0
130.07846	1.7
131.08574	34.4
133.06519	1.2
133.10141	36.4
135.04427	1.0
135.08078	3.7
135.11699	22.9
137.09583	2.6
137.13281	2.5
137.95184	1.0
139.11192	1.5
141.07002	2.4
142.07794	2.2
143.08594	9.7
145.04944	7.4
145.06567	1.1
145.10133	21.9
147.08031	2.2
147.11700	25.9
149.09674	6.9
149.13268	18.9
151.11226	1.6
151.14857	1.1
153.09138	1.0
155.08592	3.6
157.10156	10.0
159.11703	22.5
159.13014	1.1
161.09674	1.6
161.13258	15.7
163.06026	5.3
163.07297	1.0
163.11189	4.1
163.14848	3.9
165.09169	0.9
169.10156	3.9
171.11688	9.5
173.04451	1.1
173.13274	13.4
175.11206	1.4
175.14824	7.0
177.12790	4.2
177.16380	1.1
179.14325	1.6
179.34265	1.1
181.10213	1.3
183.11731	3.5
185.13322	6.7
187.11168	1.1
187.14809	7.5
189.12840	2.0
195.11778	1.2
195.13828	3.5
197.13289	2.3
199.14848	5.9
201.16383	2.0
209.13283	1.7
213.16460	2.0
215.18005	1.6
217.15993	1.8
219.17311	1.0
225.11276	1.1
229.19589	1.9
231.21059	2.4
233.15483	1.2
239.18036	3.5
241.19566	11.7
243.21161	3.3
257.19067	9.0
259.20584	31.3
261.22156	14.0
269.17435	12.9
275.20090	11.7
285.22070	1.2
293.17813	1.6
293.21225	2.9
303.16052	1.2
315.23099	2.3
317.24796	3.0
331.22632	2.7
333.24222	23.6
335.25815	92.6
336.26184	1.7
337.27600	2.3
349.23792	10.0
416.37396	1.2
431.31778	1.3
442.96362	1.0
515.37360	2.1
519.42090	2.8
529.38953	49.4
541.38934	4.8
569.41248	2.0
577.34363	1.3
593.45685	8.4
609.45227	7.3
611.46796	39.1
612.46783	1.7
627.45618	3.7
701.47552	1.2
832.79266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	7.2
69.07071	20.7
69.07420	0.6
69.27420	3.5
71.04984	2.2
73.02890	1.6
77.03907	0.9
79.05495	32.9
80.54006	0.4
81.03428	4.5
81.07057	39.0
83.04988	3.8
83.08617	9.4
85.02911	3.6
85.06502	1.3
91.03918	1.6
91.05482	24.3
93.07045	36.5
94.07346	0.5
95.01279	0.7
95.04973	7.2
95.08607	26.4
97.02895	8.9
97.06523	3.3
97.10177	10.5
99.08059	0.9
104.06240	0.5
105.04468	1.6
105.06333	0.6
105.07031	16.1
107.04965	5.2
107.08595	20.2
109.02835	0.6
109.06541	2.7
109.10157	13.9
111.04427	0.7
111.08084	2.1
115.05403	0.5
116.06190	1.0
117.07018	7.5
119.04909	1.2
119.08585	14.3
121.06496	2.2
121.10147	14.8
123.08062	3.1
123.11737	3.0
125.09634	8.4
127.03896	0.7
128.06245	0.6
129.06990	2.6
130.07777	1.0
131.08566	11.8
133.06516	2.7
133.09253	0.6
133.10133	7.4
134.07230	0.9
135.08043	2.4
135.11700	6.4
137.09590	1.5
137.13216	0.7
139.11105	0.5
143.08583	2.6
145.04951	0.6
145.06438	0.8
145.10129	7.1
147.08043	4.3
147.11703	4.4
149.09578	1.4
149.13251	4.7
151.11142	0.6
153.09077	1.2
153.12674	0.5
153.86824	0.4
157.08966	0.5
157.10101	2.5
159.08002	1.0
159.11697	4.2
161.09657	2.1
161.13277	2.5
162.10301	0.9
163.11179	1.9
163.14803	1.5
165.09071	1.5
165.12793	0.6
169.10106	0.8
171.10168	0.7
171.11681	1.2
173.09616	0.8
173.11838	0.7
173.13264	2.4
175.11154	1.6
175.14818	1.3
177.12788	1.1
179.10600	0.5
185.13193	1.2
187.14807	1.2
189.11287	2.9
193.12225	1.5
195.13724	0.7
199.11043	0.5
205.12177	1.8
211.13255	0.6
215.17931	0.5
221.11876	0.7
223.13297	16.1
227.12732	2.7
227.17917	0.9
243.21083	1.7
245.19000	1.0
249.14951	2.9
255.17441	0.7
261.22110	7.4
263.20074	1.1
267.15921	1.5
273.18515	12.1
285.16910	0.6
291.19550	86.4
292.19919	2.1
317.24728	3.0
333.24280	1.0
335.25806	76.4
336.26086	1.9
347.22397	2.1
365.23242	44.8
366.23468	1.3
505.35178	1.1
527.37494	1.0
545.38361	4.6
607.43610	2.8
625.44635	100.0
626.45044	4.3
643.45618	0.8
801.68378	0.6
840.89673	0.5
972.81842	0.5
984.55786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.1
69.07071	22.5
69.07416	0.7
70.99907	1.1
71.05000	2.6
73.02870	1.1
75.06833	0.5
77.03904	1.2
79.05495	36.2
81.03420	6.0
81.07058	37.3
83.04985	3.7
83.08623	8.7
85.02913	3.9
85.06496	1.6
86.48765	0.5
87.04459	0.5
91.03909	1.5
91.05483	20.9
93.07047	33.6
95.01291	0.6
95.04980	7.4
95.08609	25.6
97.02903	10.0
97.06554	2.7
97.10173	11.9
99.08037	0.6
103.05425	0.9
105.04491	0.9
105.07037	16.4
107.04945	5.0
107.08595	19.9
109.06545	2.8
109.10162	14.2
111.04459	1.1
111.08056	2.4
114.01247	0.4
115.05450	0.8
117.07025	8.3
119.04898	1.6
119.05733	0.5
119.08581	13.4
121.06495	2.4
121.09364	0.7
121.10149	11.7
123.04390	0.6
123.08086	3.0
123.11715	3.2
125.05947	0.7
125.09637	7.8
127.03869	1.5
128.06140	0.9
128.87007	0.5
129.05457	0.6
129.06982	3.3
130.07785	0.8
131.07623	0.6
131.08574	11.4
133.06462	2.9
133.10133	9.5
134.07312	0.7
135.08026	3.0
135.10861	0.6
135.11696	6.7
137.09583	1.8
137.13177	0.7
141.06931	0.7
142.07764	0.8
143.08597	3.5
145.04976	0.6
145.06439	0.9
145.09067	0.7
145.10136	7.9
147.08058	4.5
147.11699	4.6
149.09557	1.8
149.13260	4.9
151.11111	1.1
154.07773	0.5
155.08510	0.8
157.10165	2.7
159.08031	0.7
159.11708	5.3
161.09581	2.6
161.13315	2.4
162.10327	0.5
163.11137	2.0
163.14833	1.2
165.09149	1.3
169.10103	1.0
169.12212	0.6
171.10292	0.8
171.11699	1.8
173.09641	0.7
173.11914	0.5
173.13274	2.7
175.11206	2.5
175.14787	1.4
177.12708	1.7
177.16357	0.8
179.10574	0.8
185.09737	0.6
185.13205	1.4
187.11133	0.5
187.14737	1.1
189.11227	4.0
191.14302	0.6
193.12207	1.4
195.11703	0.9
195.13765	0.9
199.14766	0.5
201.16347	1.0
205.12183	2.1
209.13293	0.6
211.13217	1.3
223.13292	18.4
227.12794	3.9
231.13719	0.7
243.21089	2.1
245.19051	1.9
249.14847	2.2
255.17616	0.6
259.20605	0.6
261.14929	0.5
261.22134	7.4
263.19849	0.4
267.15927	1.3
273.18503	11.2
274.18765	0.5
275.20233	0.7
291.19550	100.0
292.19897	1.7
309.20551	0.7
317.24817	2.3
333.24329	0.7
335.25818	61.0
336.26254	1.1
347.22040	2.3
365.23245	55.8
366.23624	1.3
392.34973	0.5
493.99173	0.5
527.37372	1.5
531.36652	0.8
545.38232	4.2
551.40631	0.8
582.80005	0.6
607.43622	2.1
625.44653	73.8
626.44812	3.5
643.45929	1.4
984.55664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	2.8
69.07071	14.5
69.80978	2.8
69.81388	1.4
71.04978	3.1
71.08635	20.2
73.02912	2.0
79.05492	22.0
81.03400	3.2
81.07056	45.3
83.04961	3.7
83.08156	1.1
83.08618	16.5
85.02905	6.7
85.06535	3.4
85.10186	12.8
85.10683	1.4
89.06050	1.1
91.03938	2.9
91.05479	18.7
93.07041	20.2
95.04971	4.1
95.07996	1.6
95.08605	31.4
97.02908	4.5
97.06521	6.4
97.10171	8.3
98.20867	1.4
99.08081	1.3
99.11690	1.1
105.07034	15.1
107.04951	5.1
107.08595	18.3
109.06512	3.5
109.10157	42.2
111.08070	2.8
111.11731	0.9
117.07018	6.0
117.76949	0.9
119.08572	12.8
121.06497	2.3
121.10156	6.4
123.08029	1.2
123.11698	7.3
125.09619	6.2
127.03912	1.5
129.07057	1.5
131.08566	7.6
133.06544	0.9
133.10133	10.0
135.08017	1.7
135.11681	4.6
137.09613	2.4
137.13268	2.0
141.06960	0.8
142.97763	0.8
143.08557	1.9
145.04947	1.5
145.10132	8.1
147.08029	1.2
147.11705	6.7
149.09598	5.3
149.13261	6.2
155.10649	2.7
157.10092	1.2
159.11699	6.4
161.09615	1.4
161.13274	2.1
163.05981	2.2
163.11160	2.3
169.10179	1.6
171.10266	1.2
171.11621	1.4
173.11728	10.1
173.13208	3.5
177.12779	1.9
183.11719	1.4
187.11238	1.2
187.14821	0.7
189.11215	3.0
189.12733	0.9
195.13802	2.3
217.15923	0.8
219.13864	1.0
227.12796	11.6
229.14345	49.9
230.72086	0.7
239.17967	2.0
239.23695	2.7
257.19070	5.6
257.24704	2.4
267.15784	0.9
269.17505	21.1
275.20065	26.9
293.21051	5.4
313.27374	100.0
314.27670	2.7
331.22647	2.0
335.25641	0.9
349.23703	25.1
367.24808	18.0
413.21707	2.1
467.37338	35.6
468.37497	1.0
483.36444	1.4
507.40463	55.9
508.40561	2.9
547.43604	1.8
569.45404	0.9
580.35388	0.8
587.46674	44.1
588.46509	3.1
605.47742	25.4
606.48474	1.1
623.43274	1.9
651.44629	1.2
745.05444	0.9
749.49957	0.9
868.06116	0.8
965.18219	0.8
982.55280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7077
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11582	1.3
69.07080	14.0
69.93333	5.7
72.67762	1.1
77.03946	1.6
79.05495	18.2
81.06593	1.9
81.07062	35.8
83.04971	3.3
83.08623	8.8
84.55189	1.3
91.05482	23.4
91.71062	1.3
93.07048	48.4
95.04966	3.3
95.08611	74.8
96.08947	1.6
97.06519	3.0
97.10170	3.8
98.20851	1.7
105.07040	48.0
107.08597	88.7
108.08825	1.2
109.06528	3.5
109.10163	38.6
111.08086	15.3
117.07004	10.1
119.08583	73.7
121.06506	2.8
121.09460	1.1
121.10142	46.8
123.08062	3.9
123.11703	13.4
125.09639	50.0
129.07011	3.8
131.08563	26.6
133.10138	54.4
135.08023	2.5
135.11693	19.1
137.09604	4.2
142.07820	2.3
143.08578	13.9
144.09308	3.2
145.10127	53.1
147.11705	27.6
149.09616	3.2
149.13261	15.1
151.07516	1.5
151.11165	3.7
153.09140	4.1
155.08612	1.9
157.10144	11.7
158.10895	3.6
159.11697	56.4
160.12196	1.3
161.09605	2.5
161.13260	24.2
163.07559	2.7
163.11186	4.6
163.14822	13.2
165.09105	2.1
165.16385	1.7
167.10660	1.6
169.10143	2.6
170.10840	2.0
171.11661	9.4
171.80478	1.4
172.12444	1.6
173.13266	37.9
175.14828	34.0
177.09120	7.6
177.12709	2.1
177.16383	25.6
179.18008	1.5
183.11707	4.8
185.13269	9.2
187.14825	56.9
189.12784	2.2
189.16389	45.8
191.14310	19.6
191.17967	18.5
193.15918	3.3
197.13275	4.5
199.14789	15.4
201.16391	72.9
202.16656	1.7
203.14325	10.9
203.17940	25.5
205.15886	29.1
205.19522	3.0
207.17455	2.9
209.13251	1.6
211.14880	4.0
213.16400	29.9
215.14384	2.0
215.17958	34.3
217.15909	6.3
217.19453	3.0
219.17462	26.3
221.15324	7.3
225.16368	3.5
227.17979	5.4
229.15887	7.5
229.19481	7.2
231.17365	3.6
233.15315	2.5
233.18982	4.9
235.16937	14.1
237.16364	1.5
237.18544	2.9
239.18011	3.0
241.19565	4.4
243.17511	2.3
243.21251	3.4
247.16927	36.4
249.18469	4.0
253.19582	3.2
255.21130	3.9
259.20587	2.0
261.18546	16.6
267.21100	5.4
269.22638	2.7
275.19971	2.4
281.22583	3.9
283.24136	3.0
295.24301	2.4
311.23654	4.0
327.23178	6.6
329.24622	2.5
341.24832	9.8
343.26373	5.5
377.31958	2.2
379.33521	3.2
389.32089	17.0
395.33057	4.3
407.33118	100.0
408.33261	4.2
409.34665	3.7
417.31400	2.3
423.32526	10.5
425.34106	15.9
435.32648	60.9
436.32797	1.5
441.33566	3.1
443.35281	6.3
453.33694	75.3
454.33746	2.6
471.34732	15.9
489.35922	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	976.338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03085	0.4
69.03438	4.8
70.80393	0.4
70.80714	0.6
71.05003	0.7
73.02911	1.1
79.05503	1.0
81.03421	2.2
85.02911	10.1
87.04465	1.6
91.03969	0.4
93.06992	0.4
95.04971	1.4
97.02883	4.4
99.04461	0.7
103.05457	0.4
105.07034	0.6
106.55331	0.4
107.04927	0.9
109.02891	1.7
117.07044	0.6
118.06591	0.4
121.06568	0.5
123.04416	1.0
124.03977	0.6
127.03934	2.6
128.06339	0.5
129.06998	1.3
130.06534	4.1
131.04961	0.6
131.07373	0.6
132.08101	1.8
133.02866	0.6
133.06488	2.6
135.04370	0.5
143.07317	2.5
143.08377	0.5
144.08092	29.2
145.04976	1.4
145.08395	0.4
149.06023	0.8
151.03926	6.6
154.06493	0.5
155.07291	2.0
156.08102	11.1
157.08868	2.0
158.09673	4.4
159.04369	0.7
163.03915	0.8
167.07336	3.0
167.08574	0.6
168.08098	7.8
169.08838	3.6
170.09665	9.5
171.09126	0.8
172.07555	0.6
177.05502	0.6
180.08078	7.2
181.08867	5.4
182.09683	5.0
184.07642	0.7
191.07382	0.5
192.07990	1.0
193.08826	1.0
194.09676	10.1
194.11484	0.6
195.06627	0.7
195.08325	0.4
195.10432	1.4
196.11240	1.4
198.09134	0.4
204.08095	2.5
205.08835	2.0
206.09639	3.0
207.10440	0.7
208.07613	2.7
209.08284	0.4
210.09071	2.0
212.10782	1.1
217.08934	0.7
218.09659	1.2
219.10504	0.6
220.07591	0.7
220.11250	1.0
221.08324	0.8
222.09160	13.3
222.12770	1.1
223.09964	8.0
223.12180	0.4
224.07150	0.7
224.10745	2.7
225.11452	1.5
230.09628	0.7
231.10414	1.4
232.11285	0.8
233.08488	0.5
233.11931	0.4
234.09196	1.4
234.12820	0.9
236.07138	1.2
236.14314	0.7
238.08664	2.5
240.10240	0.6
243.10547	0.4
244.11177	0.5
246.09305	0.6
246.12849	1.4
247.09914	0.6
248.07176	0.4
248.10797	0.9
250.08678	9.0
251.09438	12.6
251.77986	0.4
252.09834	0.6
256.11322	0.4
259.10007	0.4
262.12329	1.2
264.13785	2.8
267.11389	1.2
268.06885	0.5
268.09698	7.8
269.10471	7.3
272.10809	0.6
273.11490	0.4
274.12106	2.4
276.13928	2.9
280.13333	1.7
282.14685	0.7
284.10608	0.4
285.12375	1.1
290.11816	1.5
292.13370	0.9
293.16443	0.6
294.14944	1.2
298.07452	0.8
302.11823	3.2
308.12766	5.3
311.18076	0.5
320.12845	9.7
326.13846	5.8
337.15613	2.0
338.13855	12.1
355.16586	4.0
488.19180	2.7
500.19186	43.3
501.19382	1.9
517.21863	100.0
518.22186	3.4
881.72168	0.4
958.22198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	6.3
69.07079	2.6
71.04989	2.4
71.48929	0.7
79.05500	11.7
81.03421	32.9
81.07059	10.5
83.04506	0.5
83.04985	8.7
83.08622	5.2
85.02914	4.0
85.06522	0.7
91.05486	13.6
93.03392	0.5
93.07052	7.4
95.04974	10.6
95.08607	5.0
97.02889	6.7
97.06504	1.7
97.10165	2.8
99.04447	2.1
99.91898	0.5
103.05464	1.1
105.04504	0.7
105.07038	8.5
106.24494	0.4
107.04965	4.3
107.08585	3.1
108.25250	0.4
109.02890	5.6
109.06531	2.3
109.10126	1.4
111.04445	7.2
111.08080	2.5
115.05466	3.2
117.07004	1.8
119.04861	0.6
119.08591	4.8
121.02868	2.7
121.06480	1.6
121.10161	2.9
123.04414	2.1
123.08057	2.0
123.11665	0.6
125.06007	0.7
125.09618	1.2
127.03915	4.1
127.05442	0.8
127.07533	0.6
128.06209	0.9
129.05481	1.6
129.07014	5.3
131.04915	1.2
131.08585	4.6
133.06531	2.6
133.10129	3.0
135.04420	1.0
135.11674	1.2
137.02321	0.6
137.05927	1.1
137.09608	0.6
139.03886	1.1
139.05467	0.6
141.06979	2.0
142.07750	0.6
143.04922	1.0
143.08556	0.9
144.08104	0.8
145.06477	2.5
145.10115	2.4
147.04402	1.7
147.08070	1.4
147.11691	5.7
149.05931	1.4
149.09621	1.6
152.06172	0.9
153.06996	2.5
153.12720	1.0
155.04886	1.1
155.08542	1.7
157.05014	0.7
157.06488	1.5
157.10136	2.6
159.04370	0.8
159.08026	0.8
161.05988	9.0
163.03926	3.0
163.11209	2.5
165.05475	0.7
165.06937	0.7
165.12698	1.5
167.08548	1.8
169.06470	1.8
169.10239	0.5
171.04381	0.8
171.06586	0.9
171.08026	1.1
173.05991	52.7
174.06378	1.4
175.03911	1.0
175.07545	1.5
175.11218	3.9
177.05487	0.7
179.08548	0.8
181.06479	4.5
181.10110	0.5
181.12231	0.9
183.08051	1.1
185.05957	3.0
187.03877	2.0
187.05948	1.1
187.07532	8.1
189.05464	5.7
191.10651	1.3
193.06526	0.6
193.10495	0.6
193.12254	10.1
195.08107	2.6
197.06052	4.4
198.06749	0.8
199.03926	1.2
199.05779	1.1
199.07547	13.8
201.05463	23.9
201.09164	1.0
202.05821	0.5
203.07036	1.3
203.08783	0.6
210.06764	1.5
211.07550	6.6
211.13300	16.1
212.08218	0.7
213.05511	7.4
213.09091	6.9
215.03461	1.4
215.07007	3.6
217.04965	100.0
218.05318	1.7
219.11612	0.6
219.13739	0.6
221.09721	0.8
223.07468	2.7
225.05489	4.3
225.09105	2.3
226.06178	0.7
227.07060	8.2
227.10670	1.5
227.12830	1.4
229.05070	3.8
229.08548	0.9
229.14259	0.6
231.06540	1.3
235.07486	0.7
237.05455	0.7
237.09126	1.2
237.12723	0.8
239.07094	3.1
239.10722	1.4
241.04840	2.3
241.08598	2.1
241.12253	0.8
243.06496	2.4
247.07654	0.6
247.10939	0.7
249.09113	1.2
249.12709	1.0
250.09941	0.7
251.06967	0.7
251.10760	1.1
253.04782	0.5
253.08627	1.6
255.06532	1.2
255.13768	2.6
263.07077	0.8
263.14261	1.0
265.12247	3.4
267.13345	2.6
267.16193	3.9
273.07516	0.8
275.10583	1.1
277.12241	0.5
279.06680	0.5
281.15143	0.8
283.13174	3.9
285.14484	1.0
285.17380	3.1
291.13443	2.2
293.11655	2.0
293.14835	0.5
299.16531	0.7
301.14651	0.7
309.14655	2.2
311.12811	21.5
312.13055	0.7
313.14319	8.1
319.13043	1.1
327.15866	3.2
329.13843	72.9
330.14178	2.0
337.14093	5.8
344.63120	0.5
347.15021	1.6
353.14212	0.7
353.18658	0.9
355.15271	12.0
367.15613	0.5
371.14682	0.7
373.16559	4.4
375.17352	0.7
379.15198	0.8
385.16464	59.4
386.16919	1.5
387.18005	1.4
393.17590	0.5
403.17529	6.7
411.18774	2.1
419.14740	0.8
429.19046	8.9
439.17307	0.9
447.20212	1.4
455.17001	1.0
467.17050	0.9
485.18137	1.6
493.18738	0.7
499.19659	1.7
503.18445	0.6
503.24881	0.8
511.19534	0.6
529.20624	1.2
541.20074	0.6
547.27246	0.6
559.21381	1.3
573.23230	1.9
577.28473	2.3
579.29236	1.1
595.29053	9.4
613.30255	4.8
621.30811	5.9
639.31854	3.5
703.30774	1.3
721.31714	1.1
739.33295	8.9
747.33380	0.6
751.32837	1.1
757.34448	4.5
765.34503	2.0
769.34497	6.3
783.35779	6.9
787.34766	1.4
795.34937	1.7
801.36816	0.9
813.36505	3.6
831.36304	0.6
913.39172	1.0
931.38519	0.8
939.40393	0.7
957.41400	3.2
975.42133	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	968.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	20.1
69.07068	10.8
71.04984	0.7
71.48928	1.1
71.86491	0.6
77.03983	0.9
79.05495	18.9
81.03451	1.5
81.07061	24.9
83.04979	1.9
83.08617	3.7
85.06547	1.5
91.05479	21.3
93.07053	19.3
95.01350	2.8
95.04971	4.1
95.08615	20.0
97.06544	7.6
97.10168	1.4
105.07033	27.0
107.04955	4.6
107.08591	9.4
109.06531	1.5
109.10159	6.2
111.08147	0.8
117.07013	5.0
119.08587	16.0
121.06519	0.8
121.10149	6.6
122.10497	0.7
123.08131	2.0
123.11745	2.1
129.07001	1.1
130.86148	0.7
131.08580	9.2
133.10130	15.5
133.11115	1.1
135.08078	1.4
135.11737	5.1
137.09669	0.9
145.10123	6.5
147.11690	6.2
149.09671	1.9
149.13272	1.9
150.63519	0.7
157.10081	1.7
159.11725	3.0
161.13303	2.4
163.11163	1.2
165.09103	1.1
168.89363	0.7
169.10223	0.9
171.11768	1.0
173.13348	1.2
175.11235	0.9
177.12817	1.3
179.14230	3.5
219.17447	10.5
257.19049	2.2
261.22214	0.9
275.20078	25.5
293.21017	1.9
335.25803	32.9
336.26019	1.1
349.23743	15.4
350.23792	0.8
609.45166	100.0
610.45288	5.1
622.74310	0.8
627.45740	1.2
642.77930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.8
69.07072	18.7
69.19486	1.4
70.06088	5.2
71.04980	4.0
73.02906	5.9
79.05495	82.3
81.03413	4.2
81.07057	91.0
83.04991	2.5
83.08612	8.6
85.02898	18.0
85.06526	4.5
91.03963	14.7
91.04513	2.0
91.05482	73.9
93.07047	86.9
95.04959	7.9
95.08607	64.3
97.02317	1.5
97.02859	10.0
97.06535	5.7
97.10163	5.9
98.21532	1.4
99.08077	2.4
100.50707	1.4
103.05492	2.3
105.04515	3.4
105.07034	70.9
107.04996	2.1
107.08601	46.4
109.06469	3.7
109.09469	2.7
109.10161	29.4
111.08087	3.8
115.05451	4.2
117.07018	26.2
119.08584	55.7
121.09348	2.6
121.10154	36.7
123.08054	3.1
123.11745	8.0
125.09575	1.7
127.03907	3.5
128.06158	2.2
129.07025	12.9
130.07780	2.0
131.08568	33.6
133.09119	3.0
133.10127	49.5
134.53662	1.5
135.08028	1.9
135.11700	28.6
137.09624	3.2
137.13254	2.3
141.06963	2.1
142.07719	2.0
143.08609	11.8
144.09373	2.6
145.05006	4.3
145.10129	29.8
147.11699	40.0
149.09616	4.3
149.13249	17.0
155.08542	4.0
156.09276	1.7
157.10144	13.4
159.11694	28.2
161.13271	24.4
161.76924	1.5
163.05994	6.6
163.11090	2.2
163.14801	5.7
167.08693	1.8
169.10117	4.9
171.08058	1.6
171.11714	13.5
173.13287	15.9
175.14819	9.6
177.12781	1.7
177.16385	2.0
179.14380	2.0
183.11768	6.9
185.13211	11.0
186.14259	1.4
187.14856	8.2
189.16351	1.9
195.11794	2.0
197.13293	3.2
199.14781	8.0
201.16412	3.6
211.14767	1.5
213.16394	3.2
215.17998	1.9
225.16429	1.7
227.18074	1.9
231.17441	1.7
231.21126	4.8
239.17917	3.7
241.19559	21.9
243.21103	6.6
257.18927	11.0
259.20587	56.3
260.20868	1.6
261.22144	13.7
285.22162	2.1
297.21976	2.3
301.21692	1.6
313.21399	1.8
315.23273	6.8
317.24908	2.4
325.25473	2.0
331.22699	4.3
333.24255	54.5
333.28287	2.7
335.25800	100.0
336.26184	2.7
337.27393	4.5
345.24338	1.7
351.24890	1.5
367.22495	2.7
385.23868	2.5
475.34213	2.2
503.36826	2.6
519.42133	8.0
529.38580	1.7
537.42902	2.2
593.45508	14.3
611.46716	76.9
612.47107	4.2
680.59607	1.5
701.47162	4.6
707.44525	1.5
719.48096	2.2
728.94434	1.6
737.48694	2.2
755.50153	3.0
876.54132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	4.5
69.40231	1.9
69.40651	3.3
73.02917	0.9
81.03415	2.7
81.07056	0.6
85.02921	10.0
87.04473	1.2
91.03975	0.7
91.05508	0.9
95.04965	1.5
97.02919	4.6
97.03434	0.7
99.04430	1.1
105.06998	0.9
109.02887	2.0
119.87654	0.7
123.04478	0.7
127.03938	1.8
129.07016	1.3
130.06570	5.0
131.04976	1.1
133.06502	3.0
135.04393	0.9
143.07356	1.6
144.08095	30.9
145.04968	1.1
151.03935	6.6
155.07286	2.0
156.08096	10.8
157.08916	1.9
158.09618	3.4
159.04361	0.7
163.03973	1.8
167.07266	3.2
168.08090	6.9
169.08908	3.8
170.09682	9.5
171.09181	0.8
180.08147	6.6
181.08879	5.3
182.09692	3.6
192.08125	0.9
193.08835	0.7
194.09676	10.6
195.10463	1.3
196.11212	1.2
204.08096	2.2
205.08942	2.5
206.09673	2.7
208.07671	2.1
208.11137	0.8
210.09213	1.8
212.10815	1.4
217.08842	1.1
218.09720	1.0
219.10454	0.9
221.08424	1.1
222.09174	12.8
223.09927	7.7
224.10706	4.2
231.10478	0.9
232.11234	1.3
234.09212	1.0
236.07222	0.9
238.08694	2.6
246.12852	1.9
249.14006	0.8
250.08717	7.1
251.09415	14.2
258.12775	0.9
260.10770	0.9
262.12408	1.9
264.13977	2.1
267.11221	1.2
268.09753	7.5
269.10486	6.7
274.12332	3.4
276.13861	3.0
280.13406	1.3
282.15073	0.9
285.12463	1.4
290.11902	2.1
292.13284	1.0
294.14941	1.7
302.11847	3.1
308.12793	4.6
320.12802	10.3
326.13983	6.2
337.15570	2.5
338.13879	11.5
355.16629	3.7
358.02328	0.7
389.77417	0.7
488.19296	2.3
500.19211	42.1
501.19354	1.7
505.08801	0.7
517.21906	100.0
518.22382	3.0
749.05811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	52.6
69.03436	8.6
69.07076	24.4
71.05000	4.4
71.08637	28.1
73.02910	2.7
79.05495	35.7
81.03423	12.2
81.07059	66.9
83.04983	9.7
83.08624	16.7
85.02905	11.9
85.06548	3.2
85.09678	1.0
85.10181	17.9
89.06015	2.3
91.03984	4.5
91.04599	1.0
91.05487	32.7
93.07047	44.3
95.01385	1.1
95.04965	7.2
95.08611	41.4
97.02894	9.0
97.06532	11.4
97.10179	9.1
98.01583	1.0
99.04428	3.2
99.08077	2.6
99.11678	1.1
103.07594	1.4
105.04533	1.5
105.07036	25.9
107.04961	8.3
107.08595	23.3
109.02873	2.2
109.06546	5.2
109.09474	1.5
109.10159	19.7
111.04472	1.5
111.08064	4.4
111.73601	0.8
115.05439	1.4
117.07006	11.5
117.09112	0.9
119.08583	17.4
121.06506	3.8
121.10151	13.2
123.08071	2.7
123.11700	8.1
125.09610	3.1
127.03918	3.7
128.06265	1.5
129.05463	1.6
129.07005	3.6
130.07767	1.1
131.08572	18.4
133.06522	1.9
133.09143	1.2
133.10135	14.9
135.08052	3.9
135.11693	11.1
137.09645	2.2
137.13258	2.2
137.35645	0.9
141.06999	2.3
143.08521	4.3
145.04945	3.6
145.06502	1.4
145.10138	10.4
147.08063	2.0
147.11699	8.4
149.09642	10.1
149.13261	10.4
151.11162	1.0
155.08583	1.8
157.10118	3.8
159.11679	12.7
161.09631	1.3
161.13255	2.2
163.06056	1.5
163.11201	7.3
169.10118	1.8
171.11700	2.5
173.04433	2.4
173.09625	1.0
173.13298	3.3
175.11142	1.4
177.12720	3.8
181.12146	1.3
183.11699	1.6
187.11237	1.5
195.13814	5.8
197.13193	1.4
199.14828	1.2
217.15887	1.8
227.12823	4.5
229.14240	2.0
229.19507	2.2
239.17970	2.5
239.23729	3.2
247.20552	2.2
251.16374	1.3
255.15926	11.9
257.18994	6.8
257.24710	2.3
267.12982	1.0
267.15933	2.5
269.17502	33.7
275.20081	25.1
293.17661	1.7
293.21176	2.9
309.20667	2.3
313.27371	95.2
314.27615	2.3
331.22601	2.8
349.23737	27.3
367.24850	4.6
413.21793	2.5
467.37115	2.2
491.40216	1.3
493.38943	22.0
497.12955	1.0
507.40485	100.0
508.40628	3.8
523.40253	1.1
547.43909	5.0
569.45746	1.5
571.01227	1.0
587.46747	41.5
588.47125	1.7
605.47760	12.2
615.42188	1.5
651.44135	2.4
731.51855	1.2
749.52631	1.3
976.65234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	37.9
69.03421	4.4
69.07077	16.7
71.04976	2.7
71.08637	21.0
71.49528	1.1
72.61610	0.9
73.02903	3.5
79.05499	27.5
81.03438	6.0
81.07060	49.1
83.04975	5.0
83.08624	14.3
85.02912	10.6
85.06542	2.5
85.10185	12.8
89.06058	1.3
91.03984	5.1
91.05486	27.1
93.07050	32.8
95.04975	8.5
95.08611	31.3
97.02906	7.8
97.06542	9.1
97.10164	8.2
99.04454	1.3
99.08099	2.7
103.07588	1.1
105.04436	1.0
105.07034	20.5
107.04935	5.3
107.08594	20.9
109.02879	1.4
109.06509	3.1
109.10162	12.7
111.04427	1.7
111.08075	3.1
115.05446	1.2
117.07015	11.0
119.08588	19.4
121.06477	2.5
121.10148	11.3
123.08065	2.9
123.11698	4.8
125.09611	5.5
127.03931	3.8
129.07021	2.8
131.08580	12.9
133.06497	1.2
133.10144	12.7
135.08037	3.6
135.11702	10.8
137.09605	2.1
143.08566	3.2
145.04962	2.2
145.10139	10.5
147.08020	1.8
147.11684	5.6
149.09634	6.4
149.13271	9.4
151.11166	1.8
155.08543	1.5
157.10143	3.4
159.08151	1.4
159.11699	9.7
161.13275	2.4
163.06053	1.9
163.11176	6.4
165.12781	1.3
169.10173	1.2
171.11670	2.9
173.13245	3.3
177.12715	1.9
181.12163	1.4
183.11749	1.6
189.11281	2.5
189.12805	1.3
189.67732	1.0
195.13866	4.1
197.13361	1.5
199.14868	1.6
200.64429	1.0
206.94350	1.0
213.16423	1.3
217.15901	3.5
223.13268	2.0
227.12807	5.0
229.19521	2.5
235.16856	1.6
239.17955	2.3
239.23610	2.5
247.20563	1.3
247.63136	1.0
255.15916	15.3
257.19040	8.9
257.24808	1.8
267.15939	2.3
269.14551	1.7
269.17480	34.2
275.20071	31.0
276.20538	1.5
291.19553	4.2
293.17639	2.0
293.21091	5.7
309.20618	2.2
313.27377	100.0
314.27631	2.6
331.22650	2.8
349.23740	28.9
367.24774	8.9
467.37326	1.9
483.36703	1.1
493.38953	21.7
507.40506	52.1
508.40894	1.8
547.43542	4.9
587.46710	46.3
588.46729	2.1
605.47717	20.8
606.47504	1.2
731.51868	1.4
749.51862	1.7
778.86981	1.1
922.12219	1.0
962.01038	1.1
964.56366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04763	1.1
67.05177	5.6
67.05467	20.7
69.03435	7.5
69.07073	22.6
69.24049	3.7
69.24457	1.0
71.04960	1.1
71.08633	16.2
72.04031	0.5
73.02883	1.6
73.05172	0.5
77.03900	0.7
79.05495	18.9
81.03423	5.0
81.07059	22.9
83.04945	2.4
83.08624	11.6
85.02905	4.3
85.06531	1.1
85.10188	8.5
89.06013	1.0
89.63853	0.5
91.03922	2.1
91.05487	13.1
93.07045	10.6
95.04977	6.1
95.08607	18.9
96.17850	0.5
97.02895	10.4
97.06492	2.2
97.10177	12.8
99.04453	0.6
99.11678	0.6
104.97828	0.6
105.04424	0.7
105.07030	10.2
107.04959	6.1
107.08602	10.1
109.06525	2.6
109.09485	0.7
109.10162	10.6
111.04427	0.7
111.08035	2.3
115.05432	0.9
117.07028	4.8
119.08573	8.9
120.05705	0.8
121.06511	2.6
121.10174	4.5
123.08064	2.9
123.11750	2.8
125.09636	8.4
127.03893	1.0
129.06967	2.3
131.08566	6.2
133.06494	3.1
133.10133	4.1
134.07256	1.1
135.08023	2.2
135.11670	2.2
137.09586	1.3
137.13237	0.6
139.11105	0.7
142.07785	0.7
143.08574	3.3
145.04961	0.7
145.06477	0.8
145.10146	4.1
147.08031	5.2
147.11642	2.3
149.09575	1.7
149.13246	1.6
151.11191	0.9
153.09105	1.1
157.10100	1.7
159.07962	0.7
159.11633	2.3
161.09610	2.2
161.13258	0.7
162.10359	0.9
163.11153	1.8
165.09059	1.4
169.12259	0.5
171.10136	0.7
171.11682	1.0
173.15225	0.6
175.11116	2.3
177.12793	0.7
185.13196	0.6
189.11237	3.0
193.12280	1.7
195.13698	1.2
199.11319	0.7
202.15895	0.9
205.12212	1.7
211.13249	1.2
223.11183	1.0
223.13306	17.7
227.12810	5.1
239.23663	1.6
249.14792	2.5
253.34549	0.5
257.24701	1.5
263.16794	0.6
267.15839	1.5
273.18491	13.3
287.69122	0.5
291.19556	91.8
292.19968	1.6
300.13550	0.7
309.20667	1.0
313.27377	72.4
314.27777	1.6
347.22165	3.6
365.23242	64.3
366.23517	1.5
435.24207	0.6
497.80118	0.6
505.39011	0.8
523.39825	5.3
535.40143	0.8
545.42133	0.7
580.10309	0.6
585.45197	2.1
603.46216	100.0
604.46423	4.6
619.28149	0.6
621.47278	0.9
698.69312	0.6
765.52020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04888	3.3
67.05222	3.3
67.05513	34.6
69.03426	3.6
69.07077	11.4
71.08645	11.4
71.49415	2.4
79.05506	18.1
81.03419	4.3
81.07063	41.4
83.04978	5.9
83.08625	6.8
85.02902	3.0
85.06554	3.5
85.10187	7.9
91.03964	1.9
91.05488	30.0
91.47221	1.7
93.07062	21.1
95.04982	5.9
95.07272	1.5
95.08613	19.2
97.06532	4.1
97.10168	3.1
105.07043	26.0
107.04966	4.4
107.08607	22.1
109.06547	3.1
109.10168	31.4
109.10850	2.9
112.44952	1.6
117.07025	4.6
119.08581	5.6
121.06490	5.4
121.10196	3.9
123.08114	2.0
123.11716	7.8
131.08569	5.3
133.06506	2.5
133.10149	40.4
134.65401	2.0
135.08086	5.0
135.11696	3.5
143.08487	2.9
145.10178	4.8
147.11734	2.6
149.09613	5.4
151.11198	17.5
152.33592	1.9
157.10150	3.2
159.11732	2.1
161.09653	6.2
169.12311	3.0
169.57834	1.7
177.09232	2.4
232.91675	1.9
245.19043	2.2
251.12903	3.4
253.14375	100.0
254.14719	2.3
255.17557	2.0
263.19995	3.4
273.18521	18.7
281.23868	2.1
291.19580	20.2
309.20697	3.3
313.27411	45.8
347.22263	9.0
361.08835	1.9
365.23221	33.5
455.46527	1.9
509.38525	15.4
585.44952	6.5
603.46210	75.7
604.45728	3.5
904.65649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.7
68.72626	0.3
69.03434	5.8
70.16292	1.6
71.04991	0.6
73.02914	1.2
79.01839	0.6
79.05490	0.4
81.03419	3.5
81.07061	0.3
83.01363	0.6
85.02911	10.5
87.04475	1.1
91.03946	1.1
95.04986	1.6
97.02892	5.7
99.04464	1.1
103.05444	0.5
105.07043	0.6
106.06580	0.5
107.04965	0.5
109.02875	2.0
117.05721	0.6
117.07031	0.5
118.06554	0.6
121.06510	0.5
123.04431	1.1
125.02382	1.2
127.03922	3.5
129.07043	1.4
130.06532	5.0
131.04976	1.2
131.08421	0.4
132.08093	1.0
133.02878	0.9
133.06476	3.4
143.03403	1.2
143.07332	1.7
143.08447	0.6
144.08090	32.3
145.04973	1.4
145.08412	0.4
149.06006	0.8
151.03922	7.4
153.01842	16.2
153.02890	0.8
153.05495	0.4
154.02139	2.8
154.06485	0.7
155.07315	2.2
156.08087	10.5
156.09308	0.7
156.36589	0.4
157.08917	1.8
158.05977	0.5
158.09673	4.9
159.04413	1.3
160.07593	0.5
167.07285	3.5
168.08096	6.4
169.08884	3.6
170.09657	8.3
171.09152	0.9
177.05536	1.5
180.08080	7.2
180.09648	0.5
181.08861	5.0
182.09679	4.5
184.07608	0.7
191.07399	0.4
192.08099	0.9
193.08855	1.0
194.09659	11.1
195.06697	0.7
195.10423	1.9
196.11223	1.2
204.08055	2.4
205.08846	2.5
206.09665	2.9
207.06819	0.4
207.10396	0.6
208.07611	2.9
208.11191	0.6
210.09216	2.3
212.10710	1.1
217.08945	1.1
218.09700	1.3
219.10498	0.8
220.07578	0.8
220.11243	1.1
221.08371	0.7
222.09151	14.2
222.12669	0.6
223.09909	8.0
223.12071	0.6
224.07048	1.0
224.10732	3.4
225.11462	0.9
230.09570	0.7
231.10454	1.4
232.07521	0.6
232.11331	1.4
233.08414	0.9
233.11967	0.7
234.09132	1.4
234.12787	1.2
236.10957	0.5
238.08652	3.5
238.12241	0.4
240.10159	0.7
242.09438	0.4
243.10504	0.7
246.12906	1.3
247.09918	0.6
248.10603	0.7
248.14432	0.7
249.14043	0.7
250.08659	7.6
250.11588	0.5
250.12274	0.5
251.09436	13.0
252.09962	0.7
256.11398	0.7
258.12775	0.5
259.09903	0.9
260.10580	0.6
262.12344	0.7
264.13806	2.4
267.11285	1.6
268.09680	7.5
269.10486	7.4
272.10574	0.5
274.12268	2.9
276.13757	2.3
280.13440	1.3
282.14902	1.3
284.10727	0.6
285.12329	1.1
290.11780	2.2
292.13382	1.0
293.16556	0.5
294.14890	1.6
302.11807	3.8
308.12833	4.4
320.12842	9.3
320.16519	0.7
326.13879	5.8
337.15475	2.0
338.13855	11.6
355.16504	4.7
488.19205	2.4
499.20819	0.5
500.19186	42.9
501.19293	1.3
517.21851	100.0
518.22168	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	962.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68573	0.9
67.04812	1.7
67.05196	4.0
67.05508	23.2
67.11915	0.9
69.03091	1.0
69.03418	5.8
69.07073	20.7
69.27279	0.9
70.84094	1.1
71.05003	1.9
71.08636	14.5
73.02920	1.0
79.05499	17.5
81.03412	3.1
81.07057	21.7
83.04984	3.7
83.08627	11.6
85.02915	5.1
85.10176	8.3
89.06022	1.1
91.03924	1.9
91.05482	11.7
93.07054	10.0
95.04977	8.2
95.08610	19.2
97.02892	7.6
97.06539	3.2
97.10167	10.6
103.07627	1.4
105.07047	10.6
107.04953	7.3
107.08616	8.3
109.06512	3.3
109.10159	10.2
115.05455	1.3
117.07014	5.5
119.08578	7.4
121.06531	3.0
121.10168	3.4
123.08118	2.4
123.11697	3.0
125.09653	5.2
129.07019	2.3
131.08572	6.2
133.06506	2.1
133.10139	5.1
135.08052	4.1
135.11711	2.2
137.09592	1.3
143.08527	2.3
145.10110	4.6
147.08069	5.3
147.11694	2.7
149.09641	1.6
153.08937	1.1
157.10167	1.9
159.08034	1.1
161.09587	1.4
163.06149	1.1
163.11180	1.5
165.09222	1.6
169.10124	1.4
175.11154	1.7
189.11241	2.5
189.12805	0.9
191.16431	0.9
193.12241	1.1
195.13744	1.1
202.15933	2.1
203.14186	1.1
223.13275	12.4
227.12859	2.3
229.07138	1.3
239.23964	1.6
245.19156	1.5
249.14830	2.2
253.14417	3.0
267.15924	1.6
273.18518	14.5
275.19980	1.1
291.19556	71.2
292.19757	1.7
300.13559	2.9
313.27380	76.4
314.27869	1.3
329.41895	1.0
347.22186	4.1
365.23242	53.0
366.23703	1.0
483.36777	1.3
505.39059	1.6
520.32104	1.0
523.39679	4.2
527.28943	1.2
585.45679	4.7
603.46216	100.0
604.46216	5.5
637.48596	1.1
747.50549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
69.03425	7.6
69.07071	17.3
70.68135	5.6
71.04991	15.5
73.02915	3.9
79.05493	59.8
81.03423	12.5
81.07057	69.5
81.07536	3.9
83.04990	9.7
83.08623	19.8
85.02917	16.0
85.06544	4.0
87.04470	32.8
91.03963	6.8
91.05479	30.6
93.07048	51.2
95.04958	10.5
95.08611	45.9
97.02893	11.7
97.06541	4.9
97.10162	18.4
99.02058	1.5
99.04456	20.9
101.06067	1.7
104.10718	2.2
105.04556	2.0
105.07025	22.8
107.04973	2.3
107.08591	32.9
109.06541	4.9
109.10158	51.9
111.01273	1.8
111.04438	4.8
111.08077	4.2
115.03923	2.6
117.07026	10.1
119.08572	18.3
120.08098	1.8
121.06472	2.3
121.10137	28.1
123.08070	4.0
123.11705	7.2
125.09647	19.6
127.03927	5.2
129.05484	1.9
129.07019	4.7
131.08562	12.7
133.10112	9.6
135.08011	1.9
135.11700	17.5
137.09628	4.1
143.10724	2.2
145.04941	1.9
145.10132	13.9
146.09671	6.5
147.11693	11.0
149.09645	4.0
149.13266	6.0
153.12680	2.4
155.08681	2.3
155.10680	3.7
157.10147	4.3
159.11658	10.6
161.13281	6.5
163.06038	3.8
163.11217	5.9
163.14865	2.6
169.10126	2.7
171.11716	2.7
173.11742	12.7
173.13222	3.9
175.14879	3.0
178.12242	5.4
181.12128	2.9
187.14795	4.6
187.76328	1.7
189.11179	2.8
191.10666	3.6
191.84535	1.8
193.12276	6.6
199.13287	12.8
199.14864	2.7
201.16379	2.4
209.11778	2.6
223.13246	4.3
227.12799	9.8
229.14342	37.8
241.14352	8.1
243.21132	4.4
257.13797	4.6
259.15320	2.3
259.20520	4.0
261.22086	16.5
267.15939	11.8
276.10031	13.6
277.21716	3.4
283.15421	2.4
299.23727	2.4
315.18124	12.9
327.23276	3.7
335.25809	82.2
345.24548	2.0
363.25360	5.3
459.34457	4.3
477.35800	32.9
489.35733	51.3
525.35626	2.7
530.97052	1.9
543.37250	10.0
561.37708	4.0
575.39368	8.2
593.40338	8.8
677.68671	2.0
690.92889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	60.8
67.79685	0.5
69.03092	0.5
69.03430	3.1
69.07071	13.0
69.80346	2.5
71.04992	2.5
71.08640	1.2
73.02922	3.1
77.03941	0.6
79.05498	38.5
81.03408	1.9
81.07060	64.0
82.07378	1.1
83.04971	1.8
83.08618	8.2
85.02909	17.6
85.06538	1.5
91.03959	9.4
91.04907	1.1
91.05485	28.2
93.07048	47.5
95.04979	3.8
95.08611	48.8
96.04481	0.8
97.02309	0.7
97.02898	9.9
97.06563	2.8
97.10185	3.6
98.20787	0.8
99.04449	0.8
99.08121	0.9
103.05481	0.7
105.04523	2.0
105.06316	0.9
105.07034	20.3
107.08599	26.6
109.02885	0.8
109.06531	2.0
109.10162	22.9
111.08069	2.0
111.11707	0.7
115.03910	0.7
117.07017	8.1
119.08585	17.2
121.10150	20.5
123.08044	1.2
123.11717	9.1
125.09636	1.0
127.03937	4.4
129.06993	2.9
130.07814	0.7
131.08577	14.0
133.06500	0.7
133.10138	14.2
135.11702	16.1
137.09613	1.2
137.13251	2.4
139.11150	0.9
143.08542	2.7
145.04964	5.6
145.10133	11.8
147.11699	11.9
149.09641	0.9
149.13275	10.0
151.11171	0.6
151.14801	1.3
155.08569	0.8
157.10117	2.8
159.11708	9.4
161.13283	9.2
163.06023	7.5
163.11096	0.9
163.14835	5.1
165.16338	0.6
169.10153	0.8
171.11699	2.7
173.13275	8.3
175.14833	4.6
177.12744	0.8
177.16408	2.4
183.11589	0.7
185.13272	3.0
187.14795	4.0
189.16371	1.8
195.11815	0.7
199.14832	1.7
201.16403	2.2
211.14949	0.8
213.16344	0.8
215.17844	1.1
217.19652	0.7
231.21120	1.1
233.22731	1.1
239.18185	0.6
241.19661	4.7
243.21075	6.2
245.22755	0.7
247.20537	0.7
257.19052	1.0
259.20587	11.2
261.22159	21.0
263.23709	2.5
269.21060	0.5
273.22235	1.0
275.20044	1.0
277.21677	0.9
279.23257	1.3
291.23080	0.7
295.22736	0.7
299.20331	0.5
299.23718	1.6
303.23254	0.7
315.23218	1.0
315.42752	0.6
317.24741	4.4
333.24252	7.4
335.25815	100.0
336.26163	2.5
337.27386	13.9
341.28244	0.7
353.27533	0.7
451.35669	1.2
489.35178	0.6
515.36688	0.6
521.43329	2.9
539.44830	1.0
543.40228	1.5
595.47253	17.5
596.47229	1.1
613.48297	22.5
614.48883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	90.1
68.05842	1.7
69.03419	3.1
69.07066	29.1
71.04973	4.6
71.06543	3.9
71.08631	3.0
73.02905	5.8
79.05497	46.8
81.03385	2.4
81.07058	100.0
82.07368	1.7
83.04980	3.7
83.08623	19.8
85.02898	25.0
85.06539	2.9
86.17388	1.9
91.03946	19.2
91.05483	27.2
93.07046	58.4
95.04962	5.4
95.08607	83.6
96.04480	1.9
97.02879	12.5
97.06541	6.6
97.10154	9.5
99.04452	2.2
99.08099	2.0
105.07032	23.7
107.08583	33.0
109.10153	35.3
111.08076	2.6
117.07017	7.1
119.08591	21.7
121.10155	30.9
123.08025	2.5
123.11736	14.8
127.03938	3.8
129.07042	2.6
131.08568	11.0
133.10121	15.9
135.10802	2.5
135.11705	19.0
137.09616	3.0
137.13272	3.1
139.60681	1.7
143.08566	2.4
145.04997	9.7
145.10158	14.5
147.11665	12.3
149.09674	2.3
149.13231	11.6
157.10208	1.8
159.11702	9.9
160.07509	1.7
161.13280	11.4
163.06032	12.8
163.14815	9.8
173.13225	8.4
175.14842	6.2
177.16412	3.5
187.14845	3.8
213.16304	1.8
233.22647	3.3
241.19576	2.3
243.21078	6.8
245.22676	2.8
259.20547	8.5
261.22202	28.6
263.23651	5.2
267.67587	1.7
278.22836	1.8
317.24670	6.5
333.24136	4.8
335.25803	90.3
336.26196	5.5
337.27393	89.1
338.27628	3.2
339.29050	7.9
340.28702	2.0
409.16190	2.1
505.44141	2.8
523.45123	4.1
541.46442	3.1
586.62964	2.1
597.48749	35.9
597.96991	1.9
615.49872	48.5
616.50018	2.9
656.38892	1.9
695.53204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	100.0
68.05846	1.2
69.03147	0.7
69.03439	7.9
69.07061	10.9
71.01337	1.0
71.04997	6.9
73.02898	3.1
79.05019	1.1
79.05492	37.8
81.03417	8.2
81.07055	50.9
83.04966	4.2
83.08617	11.4
85.02904	11.6
85.06544	4.4
87.04468	42.3
90.57381	0.8
91.03962	4.5
91.05480	24.8
93.03419	0.8
93.07044	38.2
95.04966	6.2
95.08606	37.2
97.02898	9.0
97.06520	3.9
97.10157	9.6
98.20730	2.0
99.04449	9.5
105.04504	1.0
105.07027	14.7
107.04955	2.2
107.08592	23.1
109.02842	1.0
109.06489	3.0
109.10155	62.5
111.04403	1.8
111.08084	3.8
115.05448	0.8
117.07011	6.9
119.08585	17.2
121.06477	2.0
121.10148	19.1
123.04466	0.7
123.08056	2.6
123.11677	3.3
124.55955	0.9
125.09633	8.7
127.03904	3.2
127.75027	0.9
128.06155	1.0
129.06989	3.1
131.08571	9.7
131.67354	0.8
133.10124	11.1
135.08032	1.1
135.11700	10.2
137.09613	4.7
137.13216	1.1
143.08533	2.2
143.10736	0.9
145.04942	1.6
145.10121	8.5
147.11670	6.7
149.09581	2.8
149.13249	4.7
151.11153	1.0
153.12724	0.9
155.08597	1.2
155.10661	4.9
157.10164	3.2
158.75307	0.9
159.11684	5.1
161.13243	4.4
163.06010	1.5
163.09943	1.1
163.11118	4.6
163.14777	2.1
165.12828	1.4
171.11649	2.2
173.09648	1.2
173.10141	1.4
173.11722	16.2
173.13232	5.5
173.71968	0.8
175.11229	1.1
175.14812	1.9
178.12234	0.9
181.12181	1.6
183.11716	1.2
185.13274	1.9
187.14780	3.9
189.11226	1.8
191.10663	1.4
193.12218	2.6
195.13811	1.0
197.13293	1.1
199.13219	3.8
209.11795	1.0
211.13101	0.9
211.14917	1.5
221.15463	0.8
223.13190	1.4
227.12709	5.9
229.14337	41.7
229.25102	1.0
241.14391	2.2
241.19618	1.3
243.21060	3.2
254.96210	0.9
257.13834	3.6
259.15396	1.1
259.20560	2.3
261.22101	12.7
267.15945	7.5
271.20465	1.3
276.09915	2.6
277.21555	1.6
283.15311	1.3
289.21741	2.6
297.22269	0.9
299.23657	1.1
315.18091	5.9
317.24762	2.8
327.23352	0.9
333.24277	1.0
335.25790	45.5
336.26300	0.9
351.25778	1.0
363.25238	4.4
405.25769	0.8
433.30716	1.4
451.31918	1.9
477.35812	7.1
489.35736	61.5
490.35693	1.9
507.36865	1.9
517.35162	2.9
525.35864	1.1
527.37250	1.6
543.36725	5.4
561.37653	3.0
575.39246	3.1
593.40167	1.3
610.45282	1.4
747.79199	0.9
916.85999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
69.03425	7.6
69.07071	17.3
70.68135	5.6
71.04991	15.5
73.02915	3.9
79.05493	59.8
81.03423	12.5
81.07057	69.5
81.07536	3.9
83.04990	9.7
83.08623	19.8
85.02917	16.0
85.06544	4.0
87.04470	32.8
91.03963	6.8
91.05479	30.6
93.07048	51.2
95.04958	10.5
95.08611	45.9
97.02893	11.7
97.06541	4.9
97.10162	18.4
99.02058	1.5
99.04456	20.9
101.06067	1.7
104.10718	2.2
105.04556	2.0
105.07025	22.8
107.04973	2.3
107.08591	32.9
109.06541	4.9
109.10158	51.9
111.01273	1.8
111.04438	4.8
111.08077	4.2
115.03923	2.6
117.07026	10.1
119.08572	18.3
120.08098	1.8
121.06472	2.3
121.10137	28.1
123.08070	4.0
123.11705	7.2
125.09647	19.6
127.03927	5.2
129.05484	1.9
129.07019	4.7
131.08562	12.7
133.10112	9.6
135.08011	1.9
135.11700	17.5
137.09628	4.1
143.10724	2.2
145.04941	1.9
145.10132	13.9
146.09671	6.5
147.11693	11.0
149.09645	4.0
149.13266	6.0
153.12680	2.4
155.08681	2.3
155.10680	3.7
157.10147	4.3
159.11658	10.6
161.13281	6.5
163.06038	3.8
163.11217	5.9
163.14865	2.6
169.10126	2.7
171.11716	2.7
173.11742	12.7
173.13222	3.9
175.14879	3.0
178.12242	5.4
181.12128	2.9
187.14795	4.6
187.76328	1.7
189.11179	2.8
191.10666	3.6
191.84535	1.8
193.12276	6.6
199.13287	12.8
199.14864	2.7
201.16379	2.4
209.11778	2.6
223.13246	4.3
227.12799	9.8
229.14342	37.8
241.14352	8.1
243.21132	4.4
257.13797	4.6
259.15320	2.3
259.20520	4.0
261.22086	16.5
267.15939	11.8
276.10031	13.6
277.21716	3.4
283.15421	2.4
299.23727	2.4
315.18124	12.9
327.23276	3.7
335.25809	82.2
345.24548	2.0
363.25360	5.3
459.34457	4.3
477.35800	32.9
489.35733	51.3
525.35626	2.7
530.97052	1.9
543.37250	10.0
561.37708	4.0
575.39368	8.2
593.40338	8.8
677.68671	2.0
690.92889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	85.2
69.03435	17.4
69.07066	27.1
69.79032	4.5
69.79434	7.0
71.04987	8.9
73.02928	9.4
77.03915	2.2
79.05495	89.9
81.03423	34.8
81.07058	94.7
81.07539	4.8
82.04205	5.7
83.04984	20.7
83.08626	24.8
84.05753	2.2
85.02906	28.5
85.06538	4.1
87.04469	3.3
91.03944	11.2
91.05483	100.0
93.07043	79.2
95.04967	26.0
95.08611	40.6
95.69274	1.9
97.02895	21.5
97.06513	17.1
97.10185	16.0
98.07321	5.3
99.04472	4.9
99.08099	5.7
99.46662	2.1
103.05463	3.1
105.04507	3.8
105.07032	77.9
105.39884	2.1
106.99887	1.9
107.04958	14.9
107.08604	46.1
109.02863	5.0
109.06512	11.5
109.10172	21.5
111.04443	4.4
111.08080	9.9
111.57688	2.1
115.05460	5.4
116.04739	10.5
117.07013	32.1
119.08591	61.9
121.06500	8.4
121.10146	25.8
123.08072	12.5
123.11721	2.7
125.09644	20.7
127.03917	10.1
127.07594	2.2
128.06221	5.3
129.05499	33.5
129.06981	19.7
130.07826	1.9
131.08568	40.0
133.06528	2.7
133.10135	51.1
135.08061	7.4
135.11708	19.0
137.09648	7.2
142.07819	3.2
143.07042	5.4
143.08583	11.2
145.05011	4.9
145.06468	3.8
145.10132	26.8
147.08083	4.2
147.11688	33.3
149.09647	12.7
149.13264	13.3
151.11189	3.7
155.08549	5.2
157.08638	12.2
157.10146	14.6
159.11699	24.9
161.09631	5.3
161.13251	22.9
163.06053	5.4
163.11185	10.2
163.14766	2.6
165.12827	2.7
169.10139	5.0
171.10239	4.2
171.11700	11.3
173.09653	3.6
173.11870	3.6
173.13278	13.2
175.11238	6.4
175.14835	3.9
177.12672	4.0
179.14368	3.0
183.11736	3.7
185.13319	8.4
187.14803	3.9
189.11232	7.2
189.12740	3.1
193.12239	11.0
195.13823	6.1
197.13264	4.2
199.13243	6.1
199.14902	5.5
200.14114	2.4
201.12802	3.1
201.14676	2.6
209.11688	5.3
211.13127	4.5
227.12816	13.3
229.14348	5.8
229.19585	3.1
233.15248	2.6
241.19513	16.8
255.15831	2.6
256.96716	2.2
257.19006	9.2
259.20578	41.6
261.14996	2.8
267.15826	13.2
268.16367	3.2
269.17487	26.8
275.20062	28.7
276.20547	2.1
277.21793	2.7
283.15393	6.2
285.17007	4.4
301.16486	54.8
313.21692	2.7
315.23239	4.6
333.24274	25.1
342.96445	2.0
347.47018	1.8
349.23749	17.0
423.27509	2.5
461.29700	4.6
478.29538	2.3
495.29425	21.3
521.76038	2.1
525.35754	3.8
541.35022	5.7
542.35571	8.7
543.36176	12.6
559.36090	13.7
575.35382	5.3
577.37177	4.3
723.57843	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
69.03118	1.8
69.03433	13.9
69.07072	39.1
71.01350	1.7
71.04994	11.9
71.10156	1.8
71.10489	2.4
73.02908	6.3
73.06569	1.7
79.05496	84.7
81.02934	2.6
81.03422	77.7
81.07056	88.6
83.04983	32.8
83.08153	2.5
83.08619	35.9
85.02911	39.8
85.06538	5.1
90.29790	1.5
91.03979	6.7
91.05485	96.9
93.07047	68.2
93.07648	2.8
94.80927	1.3
95.04376	2.6
95.04967	43.2
95.08611	44.2
97.02898	19.8
97.06537	23.7
97.10173	12.9
97.93616	1.7
99.04445	3.3
99.08094	4.0
103.05468	2.9
105.04561	2.3
105.07035	67.0
107.04962	24.8
107.08593	34.7
109.02875	2.8
109.06523	11.8
109.09479	2.4
109.10167	34.9
111.04440	5.3
111.08082	15.2
113.06011	5.1
115.05468	4.2
116.04713	3.2
116.06255	1.4
117.07030	20.6
119.04916	2.4
119.08585	46.5
121.06537	7.2
121.10143	24.7
123.08064	11.4
123.11705	5.5
125.06006	1.6
125.09631	12.4
127.03894	7.3
127.07539	2.5
128.06242	2.1
129.05490	11.2
129.06993	18.8
131.08566	31.0
133.06476	4.9
133.10136	41.1
135.08096	8.5
135.11703	17.8
137.09616	12.4
139.07504	1.6
139.11136	1.9
141.06973	4.0
141.09119	1.9
142.07771	4.0
143.07045	2.3
143.08554	6.5
145.04961	4.4
145.06494	3.0
145.10110	20.2
147.08038	6.2
147.11685	31.6
149.09630	26.8
149.13258	6.5
151.11168	4.9
153.09113	1.8
155.08586	3.2
155.10626	2.5
157.08713	2.7
157.10130	23.1
159.07947	1.6
159.11713	13.3
161.09644	2.9
161.13213	6.4
162.06111	1.4
163.06056	1.9
163.11186	12.8
165.12779	6.1
167.10693	1.9
169.10098	3.6
169.12160	1.7
171.10355	1.5
171.11685	6.2
173.04391	2.7
173.09503	2.0
173.11742	10.7
173.13269	5.1
175.11180	24.8
177.12762	4.9
179.14337	3.4
181.12312	1.6
183.11722	2.4
185.13213	3.0
187.11162	1.4
187.13264	2.5
189.11325	3.4
191.10619	1.6
193.12250	59.0
194.12631	1.6
195.13812	5.5
197.13216	2.1
199.13298	2.6
199.14928	2.1
209.11734	2.6
211.13289	70.1
227.12804	7.4
227.17664	1.5
229.14381	12.6
239.17984	3.2
243.15933	4.7
247.20517	2.3
253.14342	2.9
255.15942	10.4
257.18988	6.0
257.72549	1.4
259.20584	2.8
267.15924	31.2
267.18637	2.2
269.17484	16.0
273.18448	5.2
273.55121	1.4
275.20056	32.0
283.15314	3.7
285.16965	54.9
291.19440	8.0
293.21036	2.9
299.15112	2.6
301.16492	10.6
331.22708	2.0
349.23752	27.9
365.23184	3.3
367.24835	1.6
381.22693	3.7
411.27084	1.6
421.25955	6.1
423.27325	5.0
435.27341	2.1
438.40024	1.6
439.26953	24.1
447.27228	3.1
453.28217	6.3
459.27585	1.6
461.28998	3.3
463.30423	4.2
465.28342	5.1
477.28351	4.7
479.30005	5.8
481.27631	4.5
495.29434	10.8
523.34723	1.6
541.35291	15.4
557.34686	4.2
559.36316	35.7
575.35773	10.8
577.37244	4.8
593.37042	2.6
740.40778	1.5
763.32178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	83.2
69.03432	15.8
69.07070	53.0
69.30621	1.8
71.01347	4.2
71.04996	9.9
71.49050	2.8
73.02912	5.9
79.05495	66.5
81.03418	27.4
81.07057	75.8
81.07535	4.0
83.01328	9.0
83.04986	25.8
83.08621	26.1
85.02908	29.8
85.03394	3.3
85.06541	8.2
91.03980	9.3
91.04549	1.5
91.05479	65.9
93.07050	69.7
95.04973	26.9
95.07986	2.6
95.08610	42.6
97.02906	18.5
97.06529	23.2
97.10175	15.3
99.04443	8.0
99.08096	3.2
103.05490	4.3
105.07030	45.9
107.04946	23.5
107.08597	40.7
109.02879	3.2
109.06508	14.1
109.10159	33.8
110.21471	1.7
111.04457	3.7
111.08094	7.1
115.05412	3.0
117.07021	24.2
119.05017	2.9
119.08585	40.2
121.06532	9.7
121.10150	21.3
123.08070	15.8
123.11726	3.6
125.05980	2.9
125.09626	11.4
127.03961	9.6
128.06200	2.1
129.05513	10.2
129.06995	8.4
130.07758	3.2
131.08571	26.7
133.06523	5.7
133.10133	26.0
135.08073	10.0
135.11690	26.7
137.09615	14.7
139.07567	1.9
139.11185	2.1
141.07077	1.6
143.08568	7.0
145.06529	2.7
145.10127	34.2
147.08057	7.4
147.11700	12.4
148.84610	1.8
149.09602	19.7
149.13248	5.1
150.24541	1.8
151.11162	5.1
153.09106	2.0
153.12796	4.1
155.08545	5.1
155.10672	4.1
157.08665	3.0
157.10170	6.6
159.08076	3.8
159.11719	10.9
161.09596	6.2
161.13258	4.3
163.11188	45.5
165.09177	2.5
171.11696	5.5
173.04532	2.6
173.09628	6.2
173.11745	10.9
173.13300	6.0
175.11147	4.6
177.12744	3.6
179.14314	4.6
181.12227	6.8
183.11717	3.1
185.13219	2.5
187.11047	2.8
189.11209	3.7
191.10725	5.3
193.12289	4.4
195.13737	1.7
197.13277	2.3
199.14841	2.4
201.27919	1.8
209.11726	12.6
211.13268	5.8
223.13286	6.5
227.12788	17.2
229.14337	11.0
229.19511	3.6
239.17978	4.0
243.15846	5.3
245.19025	3.2
247.20848	2.0
253.14397	5.0
255.15968	8.3
257.19086	7.8
267.15979	6.0
267.84140	1.7
269.17447	3.2
273.18454	9.5
275.20059	26.6
283.15421	100.0
284.15967	2.8
285.17035	4.0
291.19556	36.1
293.21198	4.1
301.16495	17.2
311.15134	2.1
347.22174	3.1
349.23730	40.8
365.23199	20.4
379.21210	9.8
401.07190	1.9
419.24600	1.9
437.25388	57.3
451.27042	12.2
461.28976	12.4
463.26913	6.5
472.76440	1.8
475.26831	2.4
477.28430	7.1
493.27737	2.6
505.28122	2.7
539.33960	3.0
557.34711	56.9
558.35321	3.1
573.34393	5.8
574.35321	2.7
575.35785	13.0
591.35144	22.1
605.76538	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	85.2
69.03435	17.4
69.07066	27.1
69.79032	4.5
69.79434	7.0
71.04987	8.9
73.02928	9.4
77.03915	2.2
79.05495	89.9
81.03423	34.8
81.07058	94.7
81.07539	4.8
82.04205	5.7
83.04984	20.7
83.08626	24.8
84.05753	2.2
85.02906	28.5
85.06538	4.1
87.04469	3.3
91.03944	11.2
91.05483	100.0
93.07043	79.2
95.04967	26.0
95.08611	40.6
95.69274	1.9
97.02895	21.5
97.06513	17.1
97.10185	16.0
98.07321	5.3
99.04472	4.9
99.08099	5.7
99.46662	2.1
103.05463	3.1
105.04507	3.8
105.07032	77.9
105.39884	2.1
106.99887	1.9
107.04958	14.9
107.08604	46.1
109.02863	5.0
109.06512	11.5
109.10172	21.5
111.04443	4.4
111.08080	9.9
111.57688	2.1
115.05460	5.4
116.04739	10.5
117.07013	32.1
119.08591	61.9
121.06500	8.4
121.10146	25.8
123.08072	12.5
123.11721	2.7
125.09644	20.7
127.03917	10.1
127.07594	2.2
128.06221	5.3
129.05499	33.5
129.06981	19.7
130.07826	1.9
131.08568	40.0
133.06528	2.7
133.10135	51.1
135.08061	7.4
135.11708	19.0
137.09648	7.2
142.07819	3.2
143.07042	5.4
143.08583	11.2
145.05011	4.9
145.06468	3.8
145.10132	26.8
147.08083	4.2
147.11688	33.3
149.09647	12.7
149.13264	13.3
151.11189	3.7
155.08549	5.2
157.08638	12.2
157.10146	14.6
159.11699	24.9
161.09631	5.3
161.13251	22.9
163.06053	5.4
163.11185	10.2
163.14766	2.6
165.12827	2.7
169.10139	5.0
171.10239	4.2
171.11700	11.3
173.09653	3.6
173.11870	3.6
173.13278	13.2
175.11238	6.4
175.14835	3.9
177.12672	4.0
179.14368	3.0
183.11736	3.7
185.13319	8.4
187.14803	3.9
189.11232	7.2
189.12740	3.1
193.12239	11.0
195.13823	6.1
197.13264	4.2
199.13243	6.1
199.14902	5.5
200.14114	2.4
201.12802	3.1
201.14676	2.6
209.11688	5.3
211.13127	4.5
227.12816	13.3
229.14348	5.8
229.19585	3.1
233.15248	2.6
241.19513	16.8
255.15831	2.6
256.96716	2.2
257.19006	9.2
259.20578	41.6
261.14996	2.8
267.15826	13.2
268.16367	3.2
269.17487	26.8
275.20062	28.7
276.20547	2.1
277.21793	2.7
283.15393	6.2
285.17007	4.4
301.16486	54.8
313.21692	2.7
315.23239	4.6
333.24274	25.1
342.96445	2.0
347.47018	1.8
349.23749	17.0
423.27509	2.5
461.29700	4.6
478.29538	2.3
495.29425	21.3
521.76038	2.1
525.35754	3.8
541.35022	5.7
542.35571	8.7
543.36176	12.6
559.36090	13.7
575.35382	5.3
577.37177	4.3
723.57843	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	5.5
71.49314	1.9
73.02903	1.1
81.03403	2.9
81.30836	1.1
85.02911	11.2
85.19638	1.1
91.03972	1.1
95.04997	1.4
97.02895	4.7
109.02884	1.9
118.06520	1.3
127.03904	3.2
130.06508	5.9
131.04904	1.3
132.08002	1.3
133.06506	2.9
143.07326	3.0
144.08090	34.9
151.03931	6.5
155.07263	2.9
156.08104	9.6
157.08899	1.7
158.09607	4.0
167.07309	3.6
168.08118	6.1
169.08807	2.2
170.09641	10.5
180.08160	6.6
181.08830	6.3
182.09641	4.7
193.08804	1.3
194.09628	11.4
195.10298	1.3
204.08163	2.4
205.08893	2.6
206.09642	3.2
208.07564	2.0
210.09148	2.7
222.09146	13.8
223.09915	7.6
223.12076	1.6
224.10648	2.7
231.10347	1.4
232.11354	1.5
234.09169	2.1
238.08653	3.3
246.12793	2.2
250.08630	7.9
251.09424	13.6
264.13831	3.1
266.03918	1.3
268.09619	7.1
269.10397	6.2
274.12268	3.1
276.13858	2.8
290.11868	1.9
294.15024	1.5
302.11789	4.0
308.12836	4.6
320.12793	8.8
326.13852	6.5
337.15546	1.7
338.13934	8.5
355.16544	4.7
371.19681	3.4
488.18979	3.2
500.19196	49.2
501.19327	2.2
517.21869	100.0
518.22205	4.9
702.28168	1.5
768.02881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.8
69.03426	3.7
69.07063	0.7
70.66373	0.2
70.67745	0.6
70.68068	0.3
71.01357	0.4
71.04997	0.3
71.08640	0.9
73.02913	3.2
79.05483	1.5
81.03417	1.3
81.07059	2.2
83.04982	0.2
83.08611	0.7
85.02905	5.0
85.10196	0.6
87.04474	0.4
91.03956	3.5
91.05490	0.9
93.07027	1.6
95.08607	2.1
97.02898	4.6
99.04478	0.7
101.02385	1.9
105.07031	0.4
105.69193	0.2
107.08620	0.8
109.02898	0.9
109.10184	0.9
115.03973	0.6
119.08623	0.4
121.10163	0.7
123.11654	0.3
127.03902	1.5
145.04977	0.5
161.13289	0.3
185.04269	1.0
187.78809	0.2
201.03868	0.3
203.05353	0.9
243.08421	2.2
313.27164	0.5
335.25754	0.4
347.09555	2.1
363.08865	0.5
365.10742	1.0
405.13647	5.3
405.18579	0.4
440.10394	0.2
443.86536	0.2
497.30878	3.7
519.29297	5.1
621.15338	0.3
659.36169	4.4
681.34454	5.3
769.58752	0.3
775.53442	1.1
937.58563	100.0
938.58905	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.8
69.03432	2.7
69.07072	0.5
71.01366	0.4
71.04986	0.4
71.08640	0.8
73.02929	3.6
79.05495	1.2
81.03415	1.4
81.07051	2.3
83.04993	0.2
83.08624	0.6
85.02907	4.8
85.10191	0.3
87.04472	0.5
91.03956	2.7
91.05502	0.7
92.12170	0.2
93.07035	1.6
95.08617	2.0
97.02897	5.0
99.04463	0.7
101.02399	1.6
103.03947	0.4
105.07040	0.6
107.08627	0.6
109.02896	0.6
109.10193	0.6
115.03950	0.4
115.98999	0.2
119.08617	0.3
121.10178	0.6
123.11749	0.2
127.03919	1.5
129.56798	0.2
135.11720	0.2
145.04996	0.3
145.10202	0.4
146.22330	0.2
159.11803	0.2
185.04276	0.9
193.85170	0.2
203.05421	0.6
243.08377	1.6
252.83365	0.2
259.08081	0.3
313.27438	0.4
347.09573	1.7
363.08920	0.3
365.10678	1.0
405.13699	4.3
497.30991	3.3
498.31790	0.2
519.29425	4.2
553.97723	0.2
576.03046	0.2
618.09430	0.2
659.36066	3.1
681.34509	5.6
682.34711	0.3
695.95190	0.3
775.53638	1.0
776.58252	0.2
937.58594	100.0
938.58722	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	936.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.7
66.04739	1.2
67.05505	63.7
69.03426	12.1
69.07066	25.7
71.01330	2.1
71.04987	10.4
71.49130	2.3
73.02909	4.1
77.03900	1.6
79.05494	61.3
81.02927	2.2
81.03419	63.3
81.07056	80.8
83.04975	22.9
83.08618	28.0
85.02905	30.9
85.06528	6.4
87.04465	1.8
91.03956	4.0
91.05482	64.2
93.07043	58.5
95.04966	28.6
95.08608	33.9
97.02888	11.0
97.06532	19.8
97.10151	8.4
99.04450	3.3
99.08093	3.3
103.04003	1.2
103.05448	1.9
105.04530	1.9
105.07030	49.8
107.04954	15.4
107.08588	33.3
109.02899	1.7
109.06511	12.1
109.10149	14.5
111.04447	4.6
111.08072	13.7
113.06003	3.0
115.05449	4.0
116.06218	1.4
117.07021	17.7
119.08579	37.1
119.09373	2.8
121.06490	6.7
121.10134	21.8
123.08098	3.4
123.11724	3.8
124.25967	1.4
125.09623	4.5
127.03928	6.5
127.07404	1.3
128.06215	2.0
129.05556	1.8
129.07001	13.6
131.08575	28.6
133.06519	2.9
133.10139	31.7
135.08078	4.6
135.11700	14.2
137.09607	3.9
141.07010	3.6
142.07796	3.4
143.08574	4.6
145.04938	1.9
145.06506	3.2
145.10103	15.3
147.08081	5.0
147.11679	26.5
149.09627	18.0
149.13264	12.2
151.11145	3.7
155.08543	1.6
157.10118	19.0
159.08051	2.2
159.11713	11.9
161.09650	2.7
161.13264	3.8
163.11182	9.3
165.12749	4.2
169.10072	2.7
171.11713	4.4
171.13235	1.4
171.70276	1.4
173.04448	3.6
173.09610	1.5
173.13214	6.7
175.11214	13.0
177.12798	2.9
179.14352	1.8
183.11745	2.3
185.13219	1.7
189.11124	1.5
189.12669	2.3
193.12250	41.8
195.13829	5.6
197.13329	2.5
203.84853	1.5
211.13293	54.8
227.12753	5.8
229.14259	2.2
229.19489	1.7
239.18074	2.7
240.42465	1.4
243.12276	1.7
247.20488	2.0
249.14914	1.8
255.15918	16.9
257.18951	11.5
267.15927	33.6
269.17480	38.9
275.20090	30.1
275.23041	0.9
285.16977	56.8
293.21033	3.1
313.91788	1.9
321.24185	2.0
331.22662	3.5
347.86688	1.6
349.23767	34.2
350.23941	1.6
367.24728	2.8
415.30359	1.4
439.26920	3.6
443.28030	5.4
447.27420	11.9
461.29001	44.3
462.29507	1.7
463.30652	1.6
465.28546	24.2
479.30029	100.0
480.30289	3.2
501.32034	1.9
519.33630	3.1
541.35236	22.0
555.76208	1.4
559.36304	49.8
560.36304	1.9
577.37427	11.9
599.30981	1.9
605.33167	2.9
623.34216	7.8
649.38220	1.7
703.40247	3.2
721.42139	2.8
781.45715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.8
67.05506	62.7
69.03416	5.0
69.07069	13.1
69.91447	5.7
69.91833	2.8
71.04985	4.1
73.02897	2.5
77.03931	1.4
79.05493	50.2
81.03418	92.9
81.07056	63.5
83.04980	7.0
83.08622	25.0
85.02898	8.7
85.06503	2.0
89.25906	1.3
91.03944	5.2
91.05479	36.4
93.07046	43.7
95.04977	29.9
95.08610	46.1
97.02870	7.4
97.06520	4.7
97.10147	8.5
99.08074	2.7
101.04510	1.3
105.07034	34.6
107.04964	9.4
107.08588	27.3
109.06483	6.2
109.10165	22.4
111.04444	1.5
111.08096	8.7
115.05438	1.7
117.07013	10.2
119.08585	25.4
121.06493	3.6
121.10149	22.7
121.35255	1.1
123.04425	2.0
123.08059	4.5
123.11694	8.1
125.09636	5.2
127.03892	2.9
129.06985	12.2
131.08572	24.5
133.06500	3.7
133.10150	19.0
135.08029	2.5
135.11700	16.7
137.09637	2.4
137.13246	2.7
140.49097	1.2
142.07793	3.1
143.08542	3.9
145.04965	2.0
145.06488	1.7
145.10127	13.2
146.09624	1.3
147.08052	5.4
147.11667	15.7
149.09608	4.4
149.13268	8.8
151.11116	1.8
155.08559	1.9
157.10130	12.3
159.11702	10.2
161.09546	2.4
161.13249	4.4
162.17146	1.4
163.05989	4.2
163.11172	2.7
163.14828	4.4
165.12685	1.7
169.10104	2.2
171.11671	3.2
173.13304	7.2
175.11183	11.9
175.14769	3.2
178.12262	2.0
185.06078	1.4
185.13202	2.4
187.14772	4.4
189.11168	5.2
189.16380	1.7
193.12251	23.8
197.13109	1.6
199.14882	1.8
201.16458	2.3
207.13821	1.7
227.12646	8.7
229.14381	1.6
229.74205	1.4
235.13252	1.9
243.21051	6.7
249.14841	4.1
259.13287	3.2
259.20471	1.5
261.22110	20.3
267.15921	100.0
268.16226	2.2
276.09830	4.1
279.23248	1.8
285.22012	1.8
301.25256	7.8
301.28146	1.3
309.16943	4.3
317.24747	3.7
335.25793	80.0
336.26151	3.8
421.25778	3.6
435.27859	2.3
435.32559	6.0
453.33752	8.0
461.29266	1.6
471.34647	4.9
509.36288	3.1
527.37341	73.9
528.37659	4.1
545.38367	72.9
546.38348	4.5
569.38464	9.1
577.40271	2.5
623.39093	2.8
635.39423	3.0
653.40088	2.7
671.40729	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.3
66.06992	1.7
67.05145	3.5
67.05505	71.2
69.03144	1.4
69.03439	15.0
69.07061	23.0
69.66106	8.1
71.01328	2.1
71.04995	9.0
73.02906	5.8
77.03919	2.8
79.05492	83.1
81.03419	82.4
81.07057	81.2
82.20543	1.7
83.04568	2.1
83.04989	26.3
83.08621	33.7
85.02903	42.8
85.06519	5.0
91.03960	8.8
91.05481	100.0
93.07044	71.8
95.04962	41.5
95.08613	38.6
97.02893	17.5
97.06520	14.4
97.10169	9.3
99.04446	3.5
99.08092	4.9
102.50517	1.8
105.04498	2.5
105.07034	78.0
107.04950	16.4
107.08586	39.0
109.06551	11.0
109.10149	14.7
111.04411	2.4
111.08086	14.4
113.06010	3.6
115.05439	5.2
116.06271	1.9
117.07011	23.9
119.08582	62.3
121.06503	5.4
121.10146	30.1
123.08046	6.7
123.11690	6.0
125.09593	4.6
127.03915	9.9
128.06203	3.3
129.05461	5.3
129.06992	23.8
131.08568	41.1
133.06487	5.1
133.10133	48.9
135.08049	4.3
135.11705	17.7
137.09616	4.4
141.06912	2.1
142.07765	6.5
143.08572	9.8
145.04938	5.8
145.06532	1.7
145.10118	23.2
147.08035	6.1
147.11685	43.7
149.09605	14.2
149.13271	13.9
155.08511	4.7
157.10118	23.6
159.11667	18.8
161.13263	18.7
163.05991	2.4
163.11153	9.3
165.12764	4.7
167.08536	1.9
169.10115	5.3
171.10365	2.6
171.11650	10.6
173.13228	10.5
175.11174	17.7
175.14778	5.7
177.12790	3.5
179.14273	2.0
181.10126	3.2
183.11697	4.4
185.13254	7.6
187.11140	1.8
187.14937	3.5
189.11200	2.3
189.12755	3.2
193.10420	3.3
193.12245	57.6
194.79671	1.8
195.13809	5.5
197.13293	2.4
199.14804	6.1
201.16365	2.2
207.13857	1.9
211.13289	75.5
217.15825	2.8
227.12720	4.3
229.14302	4.2
231.21121	2.2
239.18030	3.8
241.19557	15.3
243.12172	1.8
257.19003	6.4
259.17783	2.0
259.20557	39.6
267.13062	1.9
267.15930	39.2
269.17493	18.3
275.20032	18.1
283.15356	4.1
285.16965	69.6
293.17801	1.6
293.21069	2.3
295.20700	1.8
301.16492	6.0
333.20474	2.3
333.24295	32.2
349.23636	10.5
433.30734	5.1
451.32053	3.5
459.88525	1.9
461.28998	14.3
469.33240	2.4
477.28357	3.3
479.30075	33.9
515.37219	2.6
525.35883	20.7
541.35107	4.2
543.36786	48.1
544.36975	3.1
559.36090	9.4
561.37994	2.7
577.37164	3.0
692.77887	1.8
750.44879	2.1
949.80310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.1
67.05505	83.5
69.03437	13.7
69.07066	34.1
70.19851	1.7
71.01358	2.2
71.04984	10.8
71.08629	1.6
71.09873	1.7
73.02900	6.2
77.03915	2.6
79.05494	82.7
80.25430	1.9
81.02929	2.8
81.03417	73.0
81.07054	89.7
82.07388	1.7
83.04980	25.0
83.08616	32.6
85.02905	45.4
85.06513	4.9
91.03971	10.0
91.05482	100.0
93.07043	76.6
95.04961	37.0
95.08611	39.1
95.09207	1.2
97.02899	17.5
97.06532	14.9
97.10168	12.2
98.21565	2.7
99.04444	4.1
99.08076	6.3
103.03915	2.1
105.04530	3.3
105.07033	81.9
107.04964	14.3
107.08594	38.5
109.02835	3.1
109.06525	10.3
109.10152	18.6
111.04426	3.9
111.08066	14.2
113.06002	3.3
115.05445	5.2
117.07020	22.4
119.08578	69.5
121.06477	5.6
121.09325	2.7
121.10134	33.3
123.08040	7.2
123.11710	6.1
125.09629	5.5
125.44366	1.7
127.03912	9.3
128.06224	4.3
129.05473	3.0
129.06998	25.0
131.08568	40.1
133.06458	5.7
133.10135	51.0
135.08020	6.5
135.11685	20.4
137.09619	5.1
139.11168	2.5
141.06969	4.2
142.07774	4.8
143.08583	11.8
145.03856	2.1
145.04936	8.0
145.06496	2.6
145.10127	26.4
147.08075	5.8
147.11688	49.4
149.09598	14.9
149.13266	16.3
151.11176	3.4
155.08542	2.6
157.10123	25.7
159.11684	24.6
161.13263	16.4
163.06029	3.8
163.11165	7.9
165.12700	4.9
167.08583	2.3
168.77202	1.8
169.10152	4.1
171.11649	11.9
173.11868	2.6
173.13255	12.7
175.11189	13.8
175.14815	5.9
177.12715	4.7
179.14270	2.9
181.09998	1.8
183.11620	3.9
185.13272	9.8
187.11136	2.5
187.14836	3.7
189.11191	2.9
189.12740	2.2
193.12244	56.9
195.12030	1.8
195.13806	7.0
197.13203	4.0
199.09198	1.8
199.14792	6.9
211.13272	70.3
212.13481	2.0
213.14682	1.9
217.12402	2.1
227.12714	5.5
229.14357	4.5
231.21092	4.7
239.18057	3.3
241.19456	16.0
249.14903	1.8
257.19003	9.6
259.20575	54.6
267.15924	33.3
269.17462	30.0
275.20111	19.0
277.21332	2.3
281.23572	1.7
283.15344	5.2
285.16962	58.6
285.95416	1.7
315.23230	5.3
331.22607	2.3
333.24203	46.3
349.23819	11.2
433.30994	5.5
435.27399	2.3
439.27048	2.9
451.31857	6.4
461.28931	17.8
469.33130	3.2
479.30072	35.5
507.33954	2.4
515.37415	3.4
525.35846	21.9
541.34888	3.9
543.36841	62.4
559.35944	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	934.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.1
67.05507	58.7
69.03433	11.5
69.07072	30.4
69.33941	11.1
71.01347	1.6
71.04995	7.0
73.02901	5.5
79.05496	58.0
81.03423	42.7
81.07059	74.6
83.01333	6.8
83.04984	23.7
83.08164	1.6
83.08623	25.5
85.02902	22.0
85.06531	4.6
91.03941	5.8
91.05486	53.9
93.07047	64.8
95.04974	22.9
95.08073	2.0
95.08618	29.6
97.02885	16.3
97.06521	15.6
97.10180	12.5
99.04457	3.8
99.08096	2.6
103.05480	2.0
105.04535	1.3
105.07037	39.7
107.04964	21.9
107.08598	38.4
109.02873	1.3
109.06514	12.1
109.10169	9.9
111.04414	4.2
111.08079	8.1
113.09668	1.8
115.05424	3.1
117.07027	21.9
119.08579	29.7
121.06514	8.4
121.10149	23.2
123.08068	14.4
123.11693	4.0
125.09646	9.1
127.03934	3.7
128.06242	2.2
129.05496	2.1
129.07042	8.9
130.07762	3.3
131.04945	2.1
131.08565	20.2
132.22604	1.3
133.06447	4.3
133.10129	19.9
135.08061	7.3
135.11702	19.8
137.09607	3.4
139.07486	1.6
142.07776	1.8
143.08540	4.5
145.04965	2.9
145.06451	2.9
145.09059	2.2
145.10127	26.1
147.08066	7.4
147.11656	12.3
149.09637	11.7
149.13245	8.7
151.11223	2.0
153.12679	2.3
155.08513	4.5
157.10144	6.5
159.11687	8.7
161.05861	1.8
161.09560	3.1
161.13287	2.9
163.11185	29.7
165.12764	2.2
169.10173	1.9
171.11610	3.2
173.04446	3.9
173.09546	4.1
173.13249	3.7
174.42293	1.4
175.11189	4.7
177.12735	4.6
179.08614	1.2
181.12207	3.1
183.11763	2.6
187.11133	1.4
189.11215	3.3
189.12741	2.1
191.10684	1.8
193.12248	12.6
195.13803	4.4
197.13222	1.6
201.80820	1.4
209.11678	4.7
211.13283	16.0
223.13266	7.4
227.12817	14.0
229.19519	1.6
239.17989	2.8
255.15831	8.9
257.18973	4.2
265.14514	1.6
267.15942	13.2
269.17502	20.7
273.18573	8.9
275.20035	22.5
283.15405	81.3
284.15671	1.8
285.17029	14.6
291.19571	45.0
293.21118	1.5
331.22614	1.5
347.22296	1.7
349.23743	20.5
365.23291	20.9
367.24802	2.0
371.17050	1.5
403.24652	1.7
413.21747	1.4
437.25375	2.4
453.25153	2.0
459.27390	4.7
463.26910	22.4
477.28516	100.0
478.29041	4.3
479.81204	1.5
501.28455	2.0
517.31519	2.8
539.33728	3.4
557.34741	51.0
558.35095	2.8
575.35748	51.1
621.32526	2.9
701.38513	2.6
719.39606	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05415	3.7
69.03334	2.9
71.04926	0.5
71.08569	1.0
71.50313	0.7
73.02822	3.1
76.70222	0.5
79.05421	0.9
81.03306	1.8
81.06954	2.1
83.04924	0.6
83.08553	1.1
85.02805	5.5
85.10084	0.7
91.03854	3.4
91.05412	1.1
93.06993	0.6
95.08498	1.6
97.02891	5.9
99.04356	1.0
101.02267	2.0
101.02851	0.6
105.06881	0.6
109.02813	1.1
109.10043	4.0
115.03860	0.8
119.08483	0.7
127.03780	1.6
145.04826	0.6
146.09575	0.9
155.10539	0.6
157.57982	0.6
167.25923	0.6
173.11632	1.6
178.12204	1.3
185.04027	1.7
229.14209	1.1
243.08305	2.1
276.09680	0.9
313.27271	1.1
347.09500	3.1
363.08905	0.6
365.10297	0.9
405.13724	5.6
413.17856	10.8
497.30896	6.8
575.23169	11.7
659.36127	7.4
669.41754	4.0
831.47101	100.0
832.47278	6.3
878.27460	0.7
889.51746	0.7
917.50714	1.2
935.51776	23.3
936.51672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.557
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18877	0.4
67.05140	0.6
67.05503	12.4
69.03426	8.8
69.07063	5.8
71.01340	1.1
71.04990	1.4
71.08627	0.5
73.02915	7.6
77.03931	0.6
79.05495	10.4
81.03418	3.3
81.07055	13.3
82.07366	0.5
83.04967	1.4
83.08607	3.5
85.02905	20.8
85.06512	0.6
87.04443	1.0
91.03953	11.2
91.05485	8.1
93.07038	9.0
95.04962	1.3
95.08604	10.8
97.02892	17.0
97.06541	1.8
97.10161	2.1
99.04446	1.4
101.02374	3.1
101.02932	0.5
103.03921	0.5
103.05449	0.6
105.07030	8.2
107.08583	5.3
109.02892	1.7
109.06505	0.9
109.10167	4.9
111.04467	0.7
111.08069	0.5
115.03932	1.1
115.05479	0.7
117.07024	5.2
119.08582	7.0
121.10143	4.0
123.08130	0.9
123.11723	1.0
125.09673	1.1
127.03912	4.2
128.06247	1.9
129.06999	5.7
130.07747	0.5
131.08571	6.2
133.10136	5.5
135.08017	0.4
135.11697	2.7
137.13316	0.5
139.07550	0.5
141.06976	3.2
142.07773	1.6
143.08572	7.0
144.09219	0.5
145.04955	3.0
145.10115	7.6
147.11687	3.6
149.09531	0.6
149.13278	1.6
153.07022	1.0
154.07784	0.9
155.08556	7.2
156.09332	1.0
157.07648	0.5
157.10132	7.4
159.11678	4.8
161.09621	0.4
161.13248	2.0
163.06020	1.6
163.14746	0.4
165.06975	0.5
167.08557	4.2
168.09340	1.5
169.10121	9.4
170.10852	1.0
171.08066	0.4
171.11685	5.6
173.13275	2.7
175.14874	1.1
178.07835	0.9
178.77271	0.5
179.08612	2.0
180.09410	0.7
181.10104	5.2
182.10892	0.8
183.11703	8.7
184.12491	0.6
185.13239	4.9
187.14850	1.9
193.10165	1.8
195.11696	4.9
196.12613	0.4
197.13231	6.1
199.13295	0.5
199.14792	2.9
201.16412	1.2
205.10086	0.7
207.11722	1.9
209.13203	5.0
210.13905	0.5
211.14816	4.1
213.16425	1.7
215.18124	0.6
219.11679	1.0
221.13333	2.4
223.14810	3.5
225.16402	2.9
227.18002	1.3
228.94769	0.5
233.13306	1.2
235.14799	1.6
237.12790	0.5
237.16307	2.8
239.18015	1.6
241.19667	0.7
247.14735	0.6
249.16411	1.7
251.17986	1.1
253.19571	1.3
259.20822	0.5
261.22086	0.6
261.67969	0.5
263.17996	0.9
265.19580	1.0
267.21054	0.7
277.19550	0.7
279.21017	0.7
281.18939	0.7
281.22903	0.5
291.20959	0.7
295.20636	0.6
307.20502	0.5
309.22284	0.5
311.23639	0.8
313.27597	0.5
321.22272	0.6
323.23724	0.6
335.25751	1.3
337.25342	0.7
349.25156	0.5
351.27005	0.9
363.27087	0.7
365.28384	0.7
377.28314	0.7
379.30148	0.9
403.30344	0.8
435.32632	0.6
447.32730	0.6
449.34421	0.5
460.32361	0.5
461.33881	0.6
483.35022	0.5
499.39932	0.6
515.37646	1.2
517.40643	4.3
521.36438	1.1
525.35962	1.0
527.37085	0.8
535.41071	1.4
539.37262	1.9
541.39166	1.4
553.40485	0.6
567.41095	0.5
591.44183	5.9
607.43646	2.0
609.45129	100.0
610.45886	5.4
621.45068	2.2
631.43311	0.6
633.45093	0.9
651.46161	1.7
699.46112	1.4
717.47101	1.8
735.48181	2.4
753.49390	3.4
771.50372	28.3
772.50854	1.7
933.55579	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	934.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.5
67.05508	73.4
69.03434	14.6
69.07069	28.7
70.55268	1.9
70.55609	3.5
71.05003	9.3
71.08628	1.6
73.02895	6.8
77.03923	3.3
79.05495	85.4
80.00215	1.3
81.03417	25.7
81.07059	79.5
83.01361	9.3
83.04986	27.0
83.08619	22.0
85.02383	1.7
85.02905	34.5
85.06526	5.4
91.03964	12.6
91.04427	1.5
91.04900	3.5
91.05483	83.1
93.07047	93.5
95.04966	19.2
95.08612	40.2
97.02891	21.1
97.06543	14.4
97.10177	8.6
99.04440	6.4
99.08093	6.2
99.61280	1.4
103.05497	4.2
105.04519	3.3
105.07034	73.4
107.04411	1.8
107.04969	17.3
107.08598	53.0
109.02876	3.4
109.06519	13.5
109.10159	16.5
111.04474	7.4
111.08064	7.2
115.05453	4.0
117.06245	2.4
117.07022	38.7
119.08591	57.3
121.06494	10.4
121.10147	29.4
123.04445	1.5
123.08064	15.0
123.11665	2.6
125.06013	2.7
125.09603	6.3
127.03921	9.4
128.06244	3.0
129.05479	4.2
129.07014	14.2
130.07773	3.9
131.08569	29.0
133.06497	2.0
133.10139	48.4
135.08035	9.4
135.10704	2.7
135.11697	34.5
137.09596	5.0
139.11166	1.5
143.08611	11.3
145.04955	7.6
145.10133	42.5
147.08017	4.8
147.11699	36.3
149.09602	8.0
149.13269	14.3
151.11208	3.2
153.12737	3.8
155.08531	5.6
157.10127	9.8
159.11707	22.9
161.09602	2.3
161.13266	17.8
163.06012	4.2
163.11188	39.5
171.11697	12.1
173.09583	5.6
173.13210	8.2
175.11232	2.3
175.14807	5.5
177.12767	3.0
179.14195	2.7
181.12221	4.5
183.11719	3.9
185.13268	9.6
187.14821	2.8
189.11156	4.4
191.10620	3.8
193.12114	2.1
195.13826	4.4
199.14856	6.2
209.11737	14.4
213.16425	2.4
215.17859	2.3
227.12782	18.4
229.19440	2.3
231.21107	3.1
239.17772	2.0
241.19478	16.6
253.14374	3.5
254.14735	1.9
257.19058	10.8
259.20575	48.9
267.16110	2.4
269.17542	17.7
275.20084	22.6
283.15402	100.0
297.22116	5.0
315.23169	5.6
331.22726	3.4
333.24289	28.5
349.23694	15.6
382.18533	1.6
404.13110	1.9
431.29190	3.4
437.25308	2.8
449.30392	4.1
461.29388	2.4
463.26917	2.2
467.31445	3.5
477.28485	55.9
485.32672	2.3
489.28342	3.1
513.35217	2.3
523.34119	9.0
541.27002	3.3
541.35272	56.9
542.35406	3.1
557.34875	10.0
559.36218	12.8
575.35358	3.1
649.36877	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	932.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.3
66.24683	0.6
67.05505	31.9
69.03441	1.1
69.07071	10.2
69.28754	4.9
71.04964	1.7
71.08630	17.9
73.02924	4.3
79.05493	20.0
81.07056	38.8
83.04952	1.4
83.08169	0.6
83.08621	10.0
85.02907	14.6
85.06501	0.9
85.10178	10.7
85.88786	0.6
89.05997	1.0
91.03436	0.6
91.03949	8.3
91.04971	0.9
91.05478	9.1
93.07043	25.2
95.04949	1.2
95.08606	36.4
96.04465	0.8
97.02893	8.1
97.06522	1.4
97.10178	4.9
97.91557	0.6
99.04427	0.8
103.07541	0.9
104.34174	0.7
105.07020	7.1
107.07883	1.0
107.08584	15.0
109.06541	0.8
109.10162	15.9
111.11694	0.8
115.03919	0.8
117.07008	3.4
119.08593	6.4
121.10151	12.6
123.11707	7.7
127.03933	4.4
131.08582	6.1
133.10158	5.5
135.11696	9.3
137.09566	0.7
137.13275	2.9
145.04950	5.2
145.10123	5.2
147.11690	3.8
149.13266	6.1
151.11174	0.6
151.14798	1.6
159.11690	5.0
161.13278	3.1
163.06024	6.9
163.14801	3.4
173.13260	4.3
175.14774	1.0
177.16385	0.9
187.14795	2.6
191.14221	0.6
201.16425	1.3
233.22696	1.8
239.23683	2.9
243.21106	9.3
257.24756	1.4
261.22141	35.2
262.22458	0.7
277.21487	0.6
279.22986	1.0
299.23666	1.0
313.27359	100.0
314.27710	1.7
317.24673	6.6
335.25797	78.3
336.26199	2.0
423.79352	0.6
497.31723	0.9
499.44955	1.0
573.48761	41.7
574.48975	2.3
591.49890	7.1
639.02625	0.7
939.22516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.5
67.05507	51.3
68.05843	0.6
69.03439	3.3
69.07070	8.2
69.80850	2.2
71.01346	0.6
71.04990	4.2
71.08634	14.8
73.02923	1.9
76.55863	0.7
79.05488	6.8
81.03409	3.8
81.07057	19.0
83.04984	1.8
83.08617	11.9
85.02916	9.2
85.06536	2.7
85.10188	9.5
87.04469	38.0
89.06013	0.9
91.03952	3.8
91.05475	4.6
93.07057	3.5
95.04962	2.0
95.08608	17.9
95.09181	1.2
97.02893	5.3
97.06516	1.5
97.10162	9.3
97.73058	0.6
99.04463	5.5
101.55336	0.7
103.07546	0.7
105.07030	1.8
107.04943	1.7
107.08602	4.3
108.16061	0.5
109.02884	0.8
109.06536	0.8
109.10157	48.0
110.10409	0.9
111.04465	0.9
111.08093	2.0
111.11716	0.6
115.02930	0.6
117.07018	0.8
118.26771	0.5
119.08580	4.6
121.06499	0.6
121.10151	1.4
123.11684	3.0
125.09634	5.4
127.03924	2.5
133.10136	0.6
135.11699	0.9
137.09621	2.1
137.13261	1.1
145.04961	2.2
145.10136	0.8
147.11693	0.8
153.12772	0.8
155.10672	5.2
157.12262	0.7
163.06026	2.0
163.11180	1.6
173.11729	15.3
173.13203	1.0
191.10721	0.7
193.12332	1.0
199.13322	4.7
209.11786	0.7
227.12759	2.7
229.14351	58.3
230.14632	1.2
239.23642	4.1
241.14420	1.4
257.13855	1.8
257.24838	1.3
267.15906	4.1
275.20105	0.9
283.15399	2.1
313.27380	67.8
314.27777	1.9
315.18042	8.9
341.26807	5.3
392.74460	0.6
397.59598	0.7
437.36203	2.1
455.37299	10.1
467.37354	100.0
468.37390	3.5
505.38998	2.6
521.38220	1.3
539.39868	1.1
553.41217	1.9
571.41473	0.8
588.46686	1.2
681.72620	0.7
692.40192	0.7
735.84479	0.6
915.35657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.0
67.05507	40.6
69.03424	3.8
69.07072	10.9
69.18870	1.3
69.19274	6.1
71.01337	1.3
71.04998	10.3
71.08241	1.1
71.08634	18.5
73.02917	1.8
79.05495	12.2
81.03432	4.9
81.07056	21.8
83.04977	3.9
83.08621	16.9
85.02903	11.0
85.06528	2.1
85.10187	11.5
87.04471	27.9
89.06032	1.6
91.03945	2.0
91.05468	5.9
93.07050	5.1
95.04967	1.4
95.08607	20.2
97.02917	4.9
97.06530	2.0
97.10172	22.1
99.04461	18.6
101.06029	0.7
105.07040	1.7
107.04972	1.6
107.08599	7.3
109.06516	1.1
109.10160	38.4
111.04412	2.3
111.08073	1.6
111.11751	1.5
115.03942	1.4
117.06979	0.9
119.08585	4.1
121.10122	2.2
123.11707	2.9
125.09638	15.0
125.60297	0.8
127.03918	2.7
129.05598	0.7
129.06966	0.7
131.08521	1.4
133.10115	0.7
135.11705	2.1
137.09637	1.2
137.13235	1.3
143.10684	2.0
145.04977	1.9
145.10129	2.1
146.09703	1.2
147.08116	0.8
153.12767	1.7
155.10657	4.1
163.06033	1.1
163.11166	2.9
165.57518	0.7
173.11765	8.1
181.12204	1.3
191.10706	1.6
193.12198	1.5
199.13290	17.7
209.11748	3.7
216.88217	0.8
223.13310	2.3
227.12784	8.7
229.14348	48.5
239.23718	6.3
241.14302	6.1
242.27640	0.7
257.24719	1.3
265.14273	0.8
267.15942	3.2
283.15466	3.7
313.27365	100.0
314.27686	3.1
315.18018	20.2
321.99365	0.7
333.19006	4.0
341.26865	6.8
346.48401	0.7
437.36267	9.6
455.37344	45.0
456.37125	1.4
467.37350	58.7
468.37576	3.3
483.37070	1.0
505.38486	1.4
511.40002	1.2
521.38202	1.9
539.39349	2.9
553.41113	8.2
571.42078	11.7
931.50610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.4
69.03440	6.0
71.01379	1.5
71.04994	1.2
71.48199	0.5
73.02915	0.4
77.03945	0.9
79.05501	7.5
81.03427	6.0
81.07060	2.3
83.04983	1.1
85.02905	2.9
86.29485	0.5
91.05507	3.0
93.07046	4.1
95.01331	0.8
95.04977	51.7
96.05329	0.7
96.46729	0.5
97.02899	9.4
97.06541	0.8
99.04459	1.3
103.05470	5.3
105.03400	0.9
105.04507	1.3
105.07032	1.6
107.04963	48.4
108.05305	0.6
109.02890	33.6
109.06508	2.3
121.02845	0.7
121.06520	10.6
123.04446	12.9
125.02366	44.7
125.05986	4.1
126.02688	0.5
127.03920	4.5
131.04947	4.5
133.02847	1.8
133.06519	0.7
135.04420	4.4
145.04977	1.3
149.05998	18.3
151.03918	100.0
152.04231	1.5
153.05476	11.5
159.04446	3.6
167.03418	0.5
167.07089	1.3
169.05093	0.6
175.03842	1.1
177.05489	39.1
189.07646	1.0
195.06548	86.6
196.06857	1.2
197.34479	0.5
213.07594	22.7
214.85948	0.4
269.06638	1.3
293.71634	0.5
295.08093	1.9
301.40546	0.5
303.08636	1.5
321.09750	4.3
339.10788	12.3
357.11813	15.2
364.97110	0.5
375.12769	0.9
489.13651	1.9
507.14877	0.6
515.15356	0.8
533.16431	2.1
551.17236	1.6
628.11993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.5
67.05509	46.6
69.03436	4.8
69.07070	12.4
69.22739	3.5
69.23167	4.7
71.04998	10.3
71.08637	23.2
73.02929	2.4
75.52665	0.8
79.05492	16.9
81.03423	7.7
81.06599	1.7
81.07061	29.3
81.30244	0.9
83.04969	3.0
83.08158	1.4
83.08623	21.8
85.02921	14.0
85.06542	3.5
85.10187	14.6
87.03931	1.6
87.04468	30.9
89.06020	1.9
91.03963	5.0
91.05492	7.3
93.07040	6.0
95.04966	2.4
95.08608	25.7
97.02888	7.4
97.06519	1.2
97.09557	1.5
97.10169	26.7
99.04463	21.8
99.11716	1.2
103.07588	1.2
105.07014	2.6
107.04943	3.1
107.08612	9.2
109.06524	1.5
109.10159	42.7
111.04438	2.5
111.08086	2.4
111.11713	1.3
115.03936	2.9
117.07022	1.7
119.08607	4.6
121.06482	1.0
121.10142	2.0
123.11749	4.4
125.06005	1.1
125.08765	1.6
125.09630	19.8
125.13258	1.0
127.03944	2.6
128.30432	0.7
129.07018	1.1
131.08560	1.8
135.11711	2.0
137.09599	2.4
137.13264	1.5
143.10672	2.4
145.04962	2.9
145.10115	2.2
155.10698	3.3
160.75720	0.9
160.89069	0.9
163.06013	1.9
163.11188	4.9
173.11755	11.3
191.10660	2.3
193.12283	2.4
199.13272	17.6
209.11761	2.8
221.22678	0.9
223.13316	3.2
227.12784	7.9
229.14346	43.5
230.14566	0.9
239.23705	6.5
241.14386	6.2
257.13632	1.3
257.24823	2.4
265.14444	1.1
267.15958	5.2
283.15445	4.9
313.27371	100.0
314.27722	3.5
315.18036	17.8
333.19061	2.2
341.26892	7.2
393.60788	0.9
437.36301	11.1
455.37344	45.6
456.37625	2.2
467.37366	59.7
468.37686	2.6
477.23239	1.0
505.38663	3.6
521.38214	2.9
535.78809	1.1
539.39282	3.3
553.41205	8.4
571.42303	7.8
715.44916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.4
65.56750	1.6
67.05508	58.7
69.03419	4.8
69.07074	17.5
69.33732	14.9
71.04996	6.0
73.02911	4.5
73.25711	2.0
79.05495	64.6
81.03421	52.9
81.06599	3.6
81.07059	58.7
83.04980	13.8
83.08621	18.5
85.02905	27.1
85.06547	3.0
90.70804	1.5
91.03951	7.4
91.05486	86.3
93.07045	63.6
95.04961	24.9
95.08608	35.2
97.02898	9.5
97.06551	5.9
97.10164	7.3
98.21581	3.3
103.05491	1.8
105.04527	2.1
105.07037	84.0
107.04936	7.6
107.08603	34.7
109.06516	6.8
109.10167	15.8
111.04430	4.1
111.08086	9.9
115.05444	2.7
117.07021	20.8
119.04834	1.8
119.08588	64.6
121.06495	2.7
121.10158	29.4
123.08057	3.8
123.11683	2.4
125.09637	4.3
127.03899	1.7
128.06180	2.8
129.06987	22.4
131.08569	36.5
133.06461	3.5
133.10139	52.0
135.11685	14.7
137.09602	3.8
142.07780	3.9
143.08533	11.7
145.04921	2.0
145.10126	23.2
147.08034	4.2
147.11696	53.7
149.09598	6.7
149.13248	11.6
155.08548	3.5
157.10143	18.9
159.11697	19.1
161.13260	24.3
163.11136	2.6
165.12775	2.6
167.08633	2.3
169.10133	3.4
171.11687	14.2
173.13223	11.1
175.11238	12.2
175.14806	8.0
183.11754	2.9
185.13191	9.6
187.14845	5.4
193.12244	29.8
195.11720	2.0
197.13318	2.6
199.14847	5.9
201.16476	1.9
211.11314	3.7
211.13266	39.7
227.12794	3.3
229.14398	2.0
231.21022	4.4
241.19539	25.5
243.21210	2.0
257.18954	2.1
259.20599	74.5
267.16003	19.4
275.20102	2.5
283.15454	3.6
285.16962	45.9
295.20154	2.0
299.23862	2.2
315.23145	6.0
333.24252	60.4
334.24414	2.8
413.60223	2.3
433.30862	8.0
444.29239	2.2
451.32382	8.5
469.33203	2.9
515.37659	3.9
525.35736	36.3
543.36847	100.0
544.37305	4.7
561.37842	2.8
625.40112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.8
67.05506	46.8
68.95467	0.6
69.03425	3.6
69.06728	1.0
69.07072	12.5
69.27409	3.6
69.27823	1.3
70.04220	0.8
71.01341	0.6
71.04999	3.4
73.02921	6.0
73.06537	0.6
77.03922	0.8
77.18544	0.5
79.05494	37.1
80.06253	0.8
81.03416	13.4
81.07058	43.9
82.04198	3.4
82.07389	0.6
83.04978	8.9
83.08619	11.4
84.05281	0.6
85.02908	13.8
85.06523	2.5
87.04473	1.0
91.03951	7.9
91.04901	1.1
91.05483	26.0
93.07043	34.5
94.07841	1.0
95.04977	10.7
95.08610	29.9
96.28069	0.6
97.02892	8.9
97.06527	6.9
97.10172	11.2
98.07321	3.3
98.20776	1.3
99.04447	0.7
99.08070	1.6
101.06078	0.6
103.05474	0.6
105.04509	1.2
105.07037	16.4
107.04967	4.3
107.08595	22.0
109.02881	1.0
109.06516	2.8
109.10159	16.5
111.04459	1.0
111.08098	4.3
113.06066	0.8
115.05440	0.8
116.04713	10.2
117.07011	7.4
119.08596	15.8
119.09399	0.5
121.06536	1.4
121.10149	16.0
123.08078	4.7
123.11722	3.7
125.09629	12.3
127.03919	3.2
127.07507	1.0
127.11164	1.1
128.06273	0.9
129.05484	27.2
129.06912	3.8
131.08571	11.6
133.06464	1.0
133.10120	10.8
135.08043	2.1
135.11699	11.8
136.08916	0.8
137.09631	2.2
137.13248	1.9
139.11151	1.1
141.06932	0.9
143.07054	7.0
143.08536	2.4
143.10657	0.8
145.04941	3.2
145.10144	8.7
147.08026	1.5
147.11688	10.0
149.09621	2.4
149.13275	6.0
151.11185	1.7
153.09111	0.7
153.12759	1.7
155.08571	1.5
157.08607	12.1
157.10124	5.6
159.11705	6.3
161.13258	3.5
163.06046	3.5
163.11134	4.4
163.14833	2.5
165.12747	2.4
166.77606	0.6
171.06577	1.2
171.10168	5.2
171.11665	1.7
173.09521	0.9
173.11783	1.3
173.13254	4.0
175.11205	3.4
175.14845	1.9
177.12766	0.8
181.10056	0.6
181.12267	1.5
183.11714	0.8
185.11740	1.3
185.13312	1.7
187.14809	1.9
189.11238	6.3
189.12773	0.9
193.12224	8.4
197.13237	0.7
199.13290	4.3
199.14720	0.9
200.14093	1.5
201.12737	0.7
201.16397	1.1
205.15695	0.7
207.13885	0.6
209.11694	2.0
210.12422	1.4
211.13268	7.3
217.14290	0.9
219.17513	0.9
227.12769	10.9
229.14334	2.4
241.19493	1.7
243.21059	3.1
249.43207	0.8
253.14317	0.6
255.15860	1.3
259.20520	2.7
261.22202	10.5
267.15927	6.6
275.20105	1.0
277.21671	4.9
279.23245	0.8
283.15424	3.8
285.16861	3.1
299.15100	0.8
301.16461	100.0
302.16824	1.6
315.23187	1.9
317.24811	2.3
333.24249	1.9
335.25809	63.3
336.26129	2.2
351.25311	1.6
353.26978	0.7
369.99026	0.8
389.26776	0.8
432.58093	0.6
469.32864	0.7
489.35721	1.5
497.60471	0.7
527.37189	7.7
543.36377	3.1
544.37451	1.0
545.38147	2.8
546.38898	0.7
561.37854	51.4
562.38336	1.9
579.38751	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	920.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.8
67.05507	59.1
69.03416	6.0
69.07073	19.6
69.26629	8.6
69.27056	9.1
71.04997	8.9
71.48768	2.1
73.02917	5.1
75.19104	1.9
79.05495	69.7
79.64222	2.3
81.03423	64.4
81.06592	3.9
81.07059	65.9
82.54905	1.8
83.04971	17.9
83.08617	24.7
85.02432	2.9
85.02908	29.7
85.06519	4.0
91.03944	6.0
91.05486	86.9
93.07044	59.9
95.04978	32.8
95.08612	35.1
97.02881	12.0
97.06525	8.6
97.10159	7.4
99.08109	2.7
105.07037	79.8
107.04983	11.0
107.08605	34.3
109.06519	6.9
109.10160	13.3
111.04450	4.7
111.08079	10.7
113.06017	4.3
115.05468	2.7
117.06999	20.9
119.08590	65.0
121.06503	5.0
121.10147	23.2
123.08067	4.2
123.11703	5.2
125.09644	4.4
127.03951	3.3
128.06226	3.8
129.07013	25.9
131.08577	37.9
133.06482	4.6
133.10147	47.5
135.11711	17.9
137.09608	3.4
142.07777	6.1
143.08572	10.2
145.06424	2.8
145.10118	22.8
147.08069	5.0
147.11696	43.2
149.09622	8.0
149.13252	10.4
155.08543	4.2
155.35628	2.0
156.09346	2.2
157.10135	31.1
157.11365	3.5
159.11690	18.1
161.13261	20.9
163.05952	2.7
163.11206	2.6
164.71848	2.0
165.12718	3.5
167.08609	2.9
169.10130	5.3
171.11693	15.9
173.13261	10.5
175.11180	13.4
175.14830	11.3
183.11630	3.2
185.13292	9.4
187.14778	4.9
189.11157	2.7
191.10728	2.4
193.12259	39.8
195.11630	2.4
197.13368	3.0
199.14839	3.9
209.13277	4.3
211.13278	53.5
213.16515	2.9
217.15787	2.3
227.12703	4.1
229.14386	2.7
231.21091	5.1
241.19547	25.0
250.64212	2.3
257.19016	3.3
259.20587	58.8
267.15900	21.0
269.17575	2.7
275.20032	2.9
283.15359	7.1
285.16949	58.1
315.23203	8.4
331.22800	2.3
333.24268	52.6
433.30896	7.4
451.31628	8.3
469.32953	7.2
515.37360	5.3
525.35791	38.9
526.36108	2.9
543.36884	100.0
544.36646	3.8
561.37146	3.1
578.34271	2.1
611.55988	2.6
651.37988	2.3
669.40332	3.5
687.40637	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	918.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.4
67.05506	47.5
69.03423	2.3
69.07066	12.4
71.04992	4.7
71.49277	2.8
71.49659	2.1
73.02953	3.7
77.03928	2.1
77.55619	2.3
79.05497	55.0
81.03407	13.8
81.07051	39.7
81.49641	1.9
83.01343	7.2
83.04994	11.5
83.08614	17.6
85.02915	18.2
85.06544	3.8
87.17642	1.8
88.33546	2.1
91.03954	4.9
91.05483	53.7
93.07045	53.8
95.04955	9.7
95.08615	23.6
97.02895	8.2
97.06535	8.0
97.10182	6.0
99.04444	3.4
103.05424	3.5
105.04513	3.6
105.07038	57.7
106.91261	1.7
107.05002	9.2
107.08583	30.9
109.02951	2.0
109.06515	7.6
109.10166	12.7
111.04413	2.5
111.08086	3.8
115.05425	2.2
117.07024	22.2
119.08586	54.1
121.06509	6.5
121.10152	23.6
123.08056	7.9
123.11728	4.9
125.09665	4.4
127.03918	2.8
128.06230	3.4
129.07039	11.9
131.08574	20.4
133.10129	43.0
135.08109	4.0
135.11694	19.9
137.09648	3.4
142.07730	3.2
143.08556	10.3
145.05013	4.6
145.06451	2.7
145.10135	31.8
147.08081	4.3
147.11681	30.0
149.09633	3.8
149.13286	6.2
151.11143	2.0
153.12701	2.6
155.08554	3.8
156.09349	1.9
157.10153	11.1
159.11688	21.2
161.09604	2.1
161.13258	16.0
163.06035	3.8
163.11191	24.1
169.10127	3.0
171.11682	11.9
173.09634	3.7
173.13271	8.2
175.11259	2.7
175.14847	7.4
177.12752	2.1
183.11676	4.1
185.13293	9.2
187.14890	2.6
189.11192	7.7
191.10684	3.7
193.12149	4.0
197.13075	2.2
199.14853	7.4
209.11710	6.0
211.13257	5.0
213.16472	2.8
227.12793	11.3
229.21367	2.1
231.21107	3.1
241.19557	19.2
259.20587	63.9
267.15872	3.0
275.20139	5.4
283.15408	53.6
285.17047	2.8
297.22128	8.9
315.23090	10.9
327.13910	1.8
333.24252	42.5
349.23624	3.1
431.29373	5.8
449.30350	6.5
467.31470	7.4
485.32529	2.7
513.35205	2.4
523.34064	8.6
541.35291	100.0
542.35114	6.2
559.36371	31.6
649.37646	2.7
685.39044	2.4
703.39630	2.6
749.13080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.3
69.03432	2.7
69.07082	0.6
71.05007	0.6
71.08627	0.9
71.48817	0.3
71.49220	0.5
73.02923	2.9
78.26152	0.3
79.05506	1.0
81.03424	2.3
81.07049	1.6
83.05016	0.4
83.08617	0.7
85.02916	4.7
91.03954	2.4
91.05501	1.4
93.07062	1.0
95.04963	0.7
95.08615	1.2
97.02895	4.5
99.04488	0.8
101.02412	1.8
103.04004	0.5
105.07088	0.7
107.05009	0.3
107.08613	0.8
109.02906	0.7
109.10143	0.6
111.08101	0.4
115.03954	0.4
119.08616	1.0
119.67429	0.3
121.10181	0.9
123.11690	0.3
127.03964	1.3
129.07060	0.5
131.08604	0.6
146.09715	0.6
147.11719	0.5
149.09679	1.2
157.10165	0.8
165.12993	0.3
175.11298	0.7
185.04231	0.7
193.12357	1.0
197.19611	0.3
203.05437	0.5
225.14888	0.4
243.08354	1.6
267.15964	0.4
276.10110	0.6
283.15179	1.7
304.54385	0.4
313.27518	0.8
339.18097	0.5
347.09668	2.1
365.10709	1.2
405.13745	5.0
469.20737	0.4
497.30817	3.7
501.23071	8.1
591.90125	0.4
659.35992	4.9
663.28308	7.5
757.46692	2.3
919.52435	100.0
920.52612	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	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.2
67.05506	67.4
69.03428	7.3
69.07073	17.7
70.61900	1.7
70.62243	1.1
71.05000	4.4
71.08633	1.1
73.02915	7.2
77.03947	1.5
78.04702	1.0
79.05494	57.8
80.06277	2.2
81.03424	16.8
81.07059	61.8
82.03780	0.9
82.04204	3.5
83.04977	10.9
83.08620	13.2
84.05774	0.9
85.02908	20.7
85.06556	1.9
87.04479	1.7
91.03957	8.8
91.05482	43.0
93.07045	54.0
94.07869	1.0
95.04970	15.4
95.08611	42.5
97.02899	9.9
97.06529	8.6
97.10167	13.9
98.07326	4.4
99.04460	2.8
99.08078	2.4
103.05488	1.2
103.27927	0.9
105.04527	1.0
105.06324	1.3
105.07031	27.6
107.04950	3.8
107.07878	1.8
107.08597	31.7
108.14737	1.0
109.06520	3.7
109.10163	25.6
111.04467	2.2
111.08086	6.1
113.05999	1.0
115.03944	1.6
115.05436	1.2
116.04727	11.0
116.06244	0.9
117.05511	0.9
117.07021	9.9
119.08585	22.0
120.09384	1.6
121.06512	2.3
121.10146	22.7
123.08069	5.4
123.11725	5.9
125.09643	13.0
127.03915	2.9
127.11166	2.1
128.06212	0.9
129.05482	30.3
129.06960	6.8
130.07765	1.5
131.08569	16.2
133.06522	1.1
133.10135	16.0
135.08043	3.8
135.11688	16.5
137.09613	2.0
137.13258	1.7
143.07060	5.8
143.08560	2.3
143.10733	1.0
145.04951	5.1
145.10121	13.3
147.08064	2.7
147.11711	13.4
149.09627	3.3
149.13257	8.4
151.11183	2.1
153.09105	1.5
153.12738	1.5
155.08592	1.7
157.08614	12.9
157.10124	5.8
159.11714	7.4
159.89380	0.9
161.13249	6.2
163.06046	4.5
163.11183	3.9
163.14818	4.8
165.12788	2.3
169.10100	1.3
171.10173	5.6
171.11696	2.0
173.11783	2.2
173.13271	6.9
175.11189	4.3
175.14828	2.4
176.77303	0.9
177.16460	1.4
181.12280	1.2
185.11832	1.2
185.13264	2.0
187.14853	3.1
189.11266	5.2
189.12735	1.3
191.10670	1.0
193.12248	9.7
199.13333	5.1
199.14935	1.4
200.14023	2.4
201.12898	1.0
201.16475	1.1
209.11667	2.9
211.13300	5.1
211.15038	1.2
216.75919	0.9
217.14433	1.1
220.78380	0.9
227.12753	10.2
229.14423	3.3
243.21144	3.4
247.17126	0.9
255.15892	2.8
259.20633	2.5
261.19293	1.5
261.22122	12.6
267.15921	5.7
269.17535	1.5
277.21652	5.8
283.15350	3.7
285.16953	3.0
301.16473	69.9
315.23141	1.9
317.24811	3.0
333.24338	1.5
335.25803	81.9
336.26123	3.8
351.25449	1.8
389.94650	1.0
400.00983	1.0
487.34113	1.0
527.37451	7.3
543.37000	5.7
545.38324	2.4
546.38940	1.5
561.37891	100.0
562.38275	6.6
579.39026	1.2
663.28687	1.0
835.19940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.5
69.03429	2.8
69.07069	0.8
71.01373	0.6
71.04961	0.6
71.08637	0.8
71.87130	0.6
73.02912	2.5
73.76003	0.5
79.05518	0.9
81.03438	1.5
81.07076	2.3
85.02910	4.8
87.04451	0.5
91.03940	3.0
91.05499	1.3
93.07039	1.8
93.23188	0.5
95.08609	0.9
97.02893	4.7
99.04465	0.7
101.02399	1.3
105.07050	1.0
107.08629	0.8
109.02870	1.2
109.10170	1.2
111.04469	0.6
111.65969	0.5
119.08608	1.2
119.72386	0.5
121.10165	1.0
123.11725	0.6
127.03960	1.7
130.83443	0.5
135.11687	1.2
145.10106	0.8
146.09654	0.6
163.11208	1.2
185.04366	0.9
203.05258	1.1
223.13397	1.5
243.08571	2.0
271.06482	1.3
281.04816	0.5
281.13739	2.7
313.27673	0.9
337.16437	1.4
347.09586	1.6
365.10797	1.3
405.13623	5.7
405.17950	0.6
497.30704	3.8
499.21448	7.3
549.65527	0.6
624.20251	0.5
659.35785	3.9
661.26758	5.1
755.45813	1.8
917.50800	100.0
918.51129	6.2
930.55396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	8.4
69.37772	19.0
76.40186	2.5
79.69981	2.6
81.03431	3.2
85.02898	8.6
96.04339	2.7
97.02891	5.7
98.20765	5.3
130.06497	5.0
133.06418	2.9
136.90419	2.4
143.07451	2.6
144.08112	33.7
151.03929	8.8
156.08095	11.0
158.09595	4.5
168.08047	3.8
170.09653	7.9
180.08072	7.5
181.08836	6.0
182.09581	5.8
194.09668	11.0
206.09627	3.1
212.10849	3.1
222.09198	15.6
223.09937	8.2
250.08662	8.2
251.09299	13.6
268.09595	5.7
269.10501	6.5
274.12405	2.6
308.12769	5.5
320.12842	10.5
326.13794	4.6
338.13882	10.2
355.16583	5.1
371.19449	5.7
488.18845	3.2
500.19162	41.5
517.21906	100.0
518.22211	3.3
800.08459	3.1
878.33417	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	916.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.5
67.05505	37.3
69.03413	4.5
69.06717	1.6
69.07072	15.1
71.04973	3.5
71.08256	1.3
71.08630	25.2
71.49767	1.6
73.02900	5.0
77.20732	1.1
79.05492	27.1
81.03421	9.5
81.06603	2.3
81.07054	37.1
83.04977	11.3
83.08624	14.8
85.02906	15.9
85.06530	2.7
85.10183	16.2
86.33664	1.0
87.04472	1.7
89.06052	2.0
91.03951	10.6
91.05480	19.8
93.06495	2.1
93.07042	28.4
95.04962	6.9
95.08603	29.6
95.77074	1.1
97.02299	1.3
97.02891	18.8
97.06516	4.5
97.10166	8.8
99.04440	2.5
101.05976	1.2
105.07022	8.4
107.04972	7.8
107.08592	15.5
109.02828	1.3
109.06499	2.6
109.10153	22.8
111.04439	20.3
111.08048	1.7
111.11742	1.6
117.07007	6.6
119.08589	9.1
121.06491	2.5
121.10137	21.0
123.08050	2.9
123.11683	6.3
125.05990	2.5
125.09624	3.1
127.03909	3.8
129.07008	3.0
129.53555	1.1
131.08582	8.0
133.06450	1.2
133.10165	5.7
135.08069	2.2
135.11694	10.2
137.09608	2.0
139.11166	3.8
145.04936	4.4
145.10141	12.7
147.08002	1.8
149.09656	5.3
151.11182	2.2
153.12721	1.3
163.05969	5.1
163.11188	12.6
167.10661	1.8
173.09583	5.1
173.11771	1.7
181.12250	2.8
191.10652	10.3
199.13159	1.7
209.11722	96.6
210.12172	1.3
227.12776	22.4
229.14468	5.4
231.25009	1.0
239.23596	4.3
241.14314	8.2
255.15909	1.5
257.24704	2.4
265.14380	4.4
283.15402	61.1
284.15527	1.3
301.16446	85.3
302.16724	2.0
313.27356	100.0
314.27582	2.4
324.40640	1.1
331.28079	1.2
335.25726	3.7
341.26923	3.4
364.27179	1.1
438.58218	1.1
467.37408	5.6
479.37204	5.2
493.38846	1.6
503.36829	1.2
521.38385	47.0
522.38666	2.8
539.39386	56.4
540.39557	2.9
543.36755	2.2
557.40125	6.0
575.39368	1.8
683.42926	1.3
818.59998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5494
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.3
66.35259	0.7
67.05506	50.8
69.03445	4.0
69.03755	0.9
69.07072	13.5
71.01334	1.2
71.04993	2.5
71.08634	20.7
71.49828	0.7
73.02921	4.2
75.52841	0.7
79.05495	20.3
80.05798	0.6
81.03423	6.9
81.07059	32.5
82.07379	0.6
83.04984	5.8
83.08153	1.1
83.08620	16.4
85.02906	20.0
85.06529	2.7
85.10185	12.2
85.66402	0.7
87.04478	4.3
89.03091	0.6
89.06026	1.0
91.03951	7.1
91.05484	11.0
93.07047	14.4
95.04990	4.2
95.08609	27.3
97.02898	8.9
97.03474	1.2
97.06529	2.1
97.10171	22.2
99.04444	1.3
103.03937	1.1
103.07524	1.0
105.07043	6.2
107.04960	3.0
107.08585	12.2
109.06498	1.3
109.10159	42.1
111.04430	2.6
111.08054	2.0
111.11715	0.7
115.18368	0.6
117.07004	2.6
119.08581	6.3
121.10169	5.4
123.08047	1.2
123.11710	4.2
125.09637	17.0
125.12086	0.6
127.03895	2.6
129.06985	0.8
130.31007	0.7
131.08539	3.1
133.10130	2.8
135.08107	0.7
135.11711	4.0
137.09618	2.8
137.13216	1.2
139.11215	0.7
143.10667	3.9
145.04951	3.4
145.10120	3.5
146.09625	1.5
147.11685	2.1
149.09544	0.9
149.13199	0.8
153.12759	0.9
155.10651	2.9
157.10165	1.4
159.11731	1.7
163.05962	3.7
163.11140	4.0
171.11749	1.1
173.09544	0.8
173.11769	7.9
173.13193	1.3
177.60432	0.7
178.12259	0.9
181.12245	1.3
183.11597	0.9
184.07376	1.7
189.11203	1.4
191.10646	2.3
199.13290	11.0
199.14977	0.9
209.11717	8.3
217.14427	0.7
221.22711	0.6
223.13301	5.3
227.12772	12.2
229.14352	48.7
230.14717	0.9
239.23677	3.2
241.14217	0.9
257.24811	1.8
261.22174	2.0
265.14447	0.8
267.15958	2.6
276.10019	1.9
283.15384	7.7
285.30450	0.7
297.17029	6.5
299.14938	1.6
300.15146	1.0
301.16458	29.0
313.27371	100.0
314.27765	3.7
317.24701	0.6
335.25809	12.9
341.26932	1.9
397.29303	0.7
437.36292	6.2
455.37332	14.6
463.21494	0.9
465.33612	0.7
467.37344	30.3
468.37488	0.9
489.35629	4.9
505.38950	1.3
521.38464	5.0
539.39392	18.4
540.39240	1.0
557.38763	9.6
701.44788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
67.05511	13.1
69.03411	1.6
69.07078	6.6
71.04971	1.3
71.08638	20.4
73.02892	1.7
75.34702	0.5
77.21745	0.6
79.05499	7.0
81.03423	59.6
81.07059	17.3
82.73376	0.6
83.04956	2.7
83.08624	20.2
85.02908	5.0
85.06528	0.5
85.10194	13.9
85.24916	0.5
89.06004	1.9
91.03929	2.5
91.04924	0.6
91.05488	12.4
93.07052	4.7
95.04395	1.0
95.04977	19.3
95.08611	18.7
96.32710	0.5
97.02903	3.5
97.06480	1.2
97.10151	5.2
99.11733	0.8
103.07584	0.7
105.07029	7.5
107.04971	5.0
107.08574	2.5
109.06475	1.8
109.10167	7.9
111.04407	1.3
111.08083	4.6
111.11676	0.9
115.05443	1.1
117.06994	1.7
119.04958	1.2
119.08587	8.3
121.06517	2.8
121.10146	4.3
123.04425	1.3
123.08031	0.8
123.11723	3.4
127.03886	2.2
129.07030	6.9
131.08580	5.7
133.06436	2.5
133.10080	2.4
137.09689	1.3
137.13255	1.6
142.07761	1.2
143.08499	1.0
145.04967	1.5
145.10091	0.7
147.04428	1.7
147.08043	2.7
147.11716	6.7
149.09618	3.7
157.10150	8.0
162.51892	0.5
163.06020	2.5
163.11253	1.5
165.12784	1.2
174.09050	0.6
175.11208	7.4
189.05553	0.7
193.12253	25.7
205.12164	0.8
207.57401	0.7
211.13222	1.4
235.13239	1.9
239.23715	2.2
240.58690	0.6
249.14890	1.9
257.24820	3.0
259.13336	2.4
267.15939	99.2
268.16275	3.1
273.14767	1.8
301.14429	2.1
309.16943	3.2
313.27380	100.0
314.27759	2.2
319.15631	0.7
330.85162	0.6
375.18198	0.8
505.38928	82.1
506.39200	3.2
523.39911	1.2
547.40179	4.5
601.41003	2.5
613.41272	1.8
631.41888	2.0
649.42889	1.2
846.91626	0.7
853.46606	0.8
940.04993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	5.0
67.05508	66.3
69.03439	2.3
69.07069	18.9
71.04984	3.2
73.02905	2.2
73.27116	2.0
79.05496	89.5
81.03418	8.3
81.06597	3.6
81.07059	68.1
83.04984	12.6
83.08603	9.0
85.02892	8.2
85.06536	3.6
91.05483	97.9
93.07050	85.0
95.04981	21.5
95.08601	41.6
97.02885	5.6
97.06522	5.6
97.10146	5.5
98.21620	4.9
99.02798	2.1
99.08098	3.9
105.04498	3.3
105.07032	79.0
107.04955	10.9
107.08596	35.8
109.06519	7.1
109.10154	15.6
117.07012	20.5
119.08582	66.2
121.10145	20.6
123.08049	5.4
128.06194	4.6
129.06992	26.8
131.08566	27.8
133.06509	5.0
133.10141	42.5
135.08084	3.8
135.11678	17.2
137.09517	3.7
142.07870	2.9
143.08575	22.2
145.10110	27.3
147.11691	65.7
149.13280	8.1
151.11214	2.4
155.08557	3.1
157.10168	10.8
159.11705	19.8
161.13269	34.7
169.10175	3.2
171.11684	27.8
173.13277	9.5
175.11192	3.6
175.14842	14.8
177.12694	3.9
185.13202	11.1
189.12733	9.5
197.13104	3.0
199.14771	5.2
207.13815	22.2
209.13344	3.7
213.16287	3.6
231.21010	3.6
241.19521	28.7
257.19037	3.9
259.20599	62.1
261.22211	4.0
279.15921	21.6
281.17490	72.5
283.18893	3.6
297.16827	2.6
315.23129	4.8
333.24268	49.1
384.44565	2.5
447.32568	7.7
465.33737	7.7
483.34518	5.1
521.36517	5.5
539.37360	100.0
540.37634	7.1
557.38464	38.4
593.36981	2.8
916.55701	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	912.6562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.05505	31.5
69.07069	14.4
71.04973	2.1
71.50364	1.4
77.45629	1.1
79.05492	31.1
79.63572	1.1
81.03427	8.3
81.07058	34.7
83.04984	6.2
83.08620	30.4
85.02861	1.2
85.06554	2.7
85.64307	1.2
91.05482	35.5
93.07047	30.4
95.01275	1.3
95.04963	29.6
95.08605	23.5
95.23565	1.3
97.06519	7.1
97.10160	6.4
99.08136	1.5
103.05430	2.1
105.07040	30.3
107.04964	12.6
107.08597	18.0
109.06521	9.4
109.10158	8.8
111.08078	6.1
115.05468	1.5
117.07019	12.4
119.08586	26.0
121.06509	5.5
121.10144	15.6
123.08072	4.4
123.11713	2.7
125.09642	6.3
128.06215	1.7
129.06996	5.7
130.07831	1.3
131.08569	16.5
133.06454	2.0
133.10121	17.4
135.08069	6.2
135.11688	10.1
137.09613	5.2
139.11157	2.0
143.08562	4.5
145.06468	3.6
145.10110	20.0
146.09628	3.4
147.08038	4.7
147.11684	12.2
149.09618	20.6
149.13254	2.8
151.11137	2.6
155.08539	5.4
157.10149	5.8
159.08102	1.3
159.11688	9.7
161.09538	2.6
161.13292	3.1
163.11179	25.9
165.12770	5.4
167.67592	1.3
169.10155	3.1
171.11690	3.8
173.09619	5.4
173.13298	5.3
175.11237	2.1
175.14754	1.4
177.12781	4.2
178.12331	2.8
179.14250	2.0
183.11711	3.8
185.13193	1.6
187.11229	3.2
187.14777	1.5
189.11220	5.7
189.12727	2.0
191.10667	1.7
191.14363	2.3
197.13284	3.3
201.12700	2.1
202.15889	4.9
205.05205	1.2
205.12222	1.9
210.77464	1.5
222.53712	1.4
223.13292	20.6
229.19536	2.5
239.17967	9.9
247.20567	2.6
257.18997	15.3
275.20068	100.0
276.09976	6.6
276.20276	2.8
291.19391	6.9
293.21121	70.8
294.21640	2.2
300.13629	4.4
549.39319	2.7
567.40161	3.8
585.41370	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	912.6559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.8
67.05508	27.7
69.03424	3.1
69.07067	13.0
69.86460	5.7
71.05001	2.1
79.05497	42.3
81.03442	6.5
81.07059	68.8
82.07410	1.4
83.04987	7.4
83.08624	21.0
85.06555	2.8
88.48244	1.4
91.05482	30.9
91.06031	2.7
93.07044	30.9
95.04972	22.4
95.08606	18.2
95.88886	1.4
97.06523	5.3
97.10172	13.7
105.03344	1.6
105.07033	27.6
107.04951	14.0
107.08603	20.0
109.06521	14.1
109.10152	7.0
111.04438	3.0
111.08080	3.9
117.07027	16.7
119.08591	30.7
121.06494	10.0
121.10162	13.3
123.08051	8.7
123.11727	2.0
125.09646	9.9
128.06252	2.0
129.07010	8.6
131.08580	14.0
133.06493	5.6
133.10162	14.8
135.08054	9.3
135.11656	7.4
137.09631	3.7
141.07147	1.5
143.08554	8.0
145.06522	3.9
145.10127	20.9
147.08070	13.2
147.11691	6.4
149.09634	15.1
151.11240	2.7
153.09152	2.2
153.12701	2.2
155.08580	2.4
157.10155	4.8
159.08093	3.6
159.11646	7.5
161.09624	8.9
161.13287	3.7
163.11180	16.8
165.09172	3.5
165.12660	2.8
167.08530	1.6
171.11714	4.8
173.09648	5.3
173.13289	3.5
175.11220	4.0
177.12756	2.0
181.12154	3.1
183.11742	3.6
187.11227	1.9
189.11220	10.0
189.12744	2.3
191.10699	5.0
193.12248	2.5
199.11227	2.5
202.15875	8.3
205.12349	1.3
207.13800	1.5
209.11597	2.2
213.16530	1.7
223.13295	10.7
227.12840	4.0
227.18005	2.9
229.19594	1.6
245.19118	3.4
247.20813	1.7
249.14879	2.9
255.17482	4.0
257.18958	3.5
273.18500	50.0
274.18857	2.3
275.20081	28.7
276.09927	2.5
291.19547	100.0
292.19843	2.4
293.21060	18.0
300.13644	12.8
300.89059	1.3
309.20639	3.9
346.60678	1.5
419.77188	1.6
437.29755	1.4
533.39807	2.2
551.40771	3.4
563.37427	2.6
567.40662	2.0
581.38269	3.9
599.39661	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.8
67.05508	20.9
67.05844	0.8
69.03387	2.0
69.07069	7.9
69.27966	5.2
71.01324	2.6
71.04985	3.6
71.08633	18.9
73.02875	1.9
75.69984	0.6
79.05494	19.6
81.03420	23.1
81.07055	24.2
83.01312	2.3
83.04987	10.9
83.08170	0.8
83.08618	13.0
85.02904	13.3
85.06502	2.4
85.10185	12.3
87.04430	0.7
89.05988	1.3
91.03956	3.9
91.05482	12.7
93.07046	19.3
95.04973	5.7
95.08611	22.6
97.02322	0.6
97.02896	11.1
97.06544	6.0
97.10160	4.8
99.04440	1.5
99.08067	0.7
99.11687	0.8
103.05443	0.9
103.07551	0.9
105.04501	0.8
105.07041	6.2
107.04968	15.9
107.07903	0.6
107.08588	10.6
109.06510	6.5
109.10155	8.6
111.03732	1.0
111.04447	18.7
111.08037	2.6
111.11691	1.0
113.05948	1.1
117.07034	7.6
119.08579	9.2
121.05802	0.5
121.06525	6.0
121.10143	9.7
123.04401	1.0
123.08089	5.2
123.11720	3.5
125.05999	5.0
125.09584	2.2
127.03860	2.0
129.06955	3.2
131.04918	1.3
131.08563	6.0
133.10103	1.5
135.08009	2.3
135.10704	0.9
135.11679	11.0
137.09575	2.4
137.13286	0.9
139.07498	1.4
143.08556	0.9
145.04912	1.3
145.06451	1.4
145.10127	15.1
147.08066	2.8
149.09608	1.6
153.12746	8.9
154.95448	0.6
155.08525	2.4
161.09572	0.9
163.05986	1.3
163.11189	25.7
173.09647	6.8
177.12729	0.9
181.12236	5.1
184.07301	0.8
191.10669	10.8
195.13704	1.3
209.11743	8.5
213.05453	0.6
223.13283	15.2
227.12814	5.5
239.23730	1.9
241.14360	27.0
257.24701	2.9
265.14362	14.9
283.15408	26.8
297.17056	1.7
313.27368	81.3
314.27890	2.2
315.18033	48.3
316.18417	0.6
327.28738	0.7
354.64929	0.5
355.15137	1.1
378.10074	0.6
390.27429	0.6
459.22232	1.0
503.30606	0.5
503.37314	12.1
504.37570	0.7
521.38397	100.0
522.38867	4.7
539.39667	1.2
553.41028	66.8
554.41559	3.3
574.29077	0.6
894.44061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
67.05505	2.7
69.03432	3.9
69.07076	0.6
71.01355	0.8
71.04988	0.6
73.02917	3.9
79.05493	2.5
81.03429	2.8
81.07066	3.0
83.04963	0.3
83.08619	0.7
85.02911	6.5
91.03958	3.6
91.05495	1.7
93.07031	1.9
95.04980	0.5
95.08616	2.2
97.02888	5.7
98.21642	0.6
99.04473	0.8
103.03957	0.5
105.07051	1.2
107.08604	1.2
109.02918	0.9
109.10189	0.9
111.08162	0.3
115.03960	0.5
119.08623	0.7
121.10174	1.1
127.03924	1.7
131.08647	0.5
133.10149	0.6
134.32848	0.3
145.05032	0.5
147.11761	0.5
165.77803	0.3
174.80534	0.3
185.04280	1.1
193.12308	0.4
201.03741	0.3
203.05383	0.9
228.21884	0.3
243.08394	2.0
251.12477	0.5
347.09546	2.3
365.10840	0.8
405.13678	5.2
469.20499	3.4
519.29218	5.2
631.25629	2.7
681.34564	6.1
682.06384	0.4
698.96008	0.4
747.43066	1.0
909.48212	100.0
910.48712	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	909.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03754	0.3
67.05502	2.5
69.03434	3.2
69.07069	0.9
71.01365	0.4
71.05025	0.4
73.02920	3.7
79.05502	1.9
81.03413	2.6
81.07039	2.6
81.92664	0.3
83.04965	0.5
83.08637	0.9
85.02899	6.1
91.03956	3.1
91.05487	2.2
93.07044	1.6
95.04979	0.9
95.08614	1.5
97.02895	4.9
99.04465	0.7
105.07023	1.4
107.04955	0.4
107.08612	1.0
109.02899	0.9
109.10191	0.5
111.08091	0.5
113.59211	0.3
115.03932	0.5
117.07031	0.3
119.08614	1.1
121.10143	0.8
127.03906	1.5
128.84036	0.3
129.07025	0.4
131.08601	0.6
133.10095	0.6
135.11772	0.4
145.10130	0.4
147.11737	0.5
157.10135	0.5
159.11768	0.4
175.11201	0.4
185.04300	0.8
193.12282	0.6
203.05290	0.5
211.13298	0.4
217.05017	0.5
228.93301	0.3
243.08432	2.0
251.12593	0.4
285.16821	0.3
307.15536	0.5
335.25909	0.5
347.09540	1.5
365.10684	0.7
385.16324	0.4
405.13681	4.0
409.98550	0.3
469.20422	6.7
519.29327	3.1
565.19757	0.4
631.25610	6.7
662.94550	0.3
681.34631	2.8
747.42896	1.6
823.42377	1.9
909.48163	100.0
910.48560	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	910.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.7
67.05506	16.4
69.03435	3.1
69.07068	7.2
69.11575	0.5
70.01606	1.4
70.02021	1.2
71.04986	2.1
71.08636	15.3
73.02904	2.6
79.05072	1.0
79.05493	12.4
81.03419	37.1
81.06592	1.2
81.07057	21.0
83.04983	8.3
83.08617	16.4
83.09122	0.7
85.02909	21.6
85.06545	1.4
85.10175	8.5
89.06042	0.7
91.03958	5.9
91.05484	17.5
93.07048	9.7
95.04971	14.3
95.08614	16.1
97.02895	7.1
97.06511	2.0
97.10165	6.3
99.04463	1.2
99.08080	1.0
103.07577	0.9
105.07030	12.7
107.04960	3.4
107.08617	3.9
109.06519	2.1
109.10170	6.9
111.04452	1.5
111.08073	5.5
111.11717	1.8
113.06036	1.6
115.05473	1.3
119.04859	0.5
119.08580	11.2
121.06512	0.7
121.10149	4.4
123.08061	1.9
123.11717	3.0
125.09645	1.2
127.03912	1.3
129.07007	5.9
131.08559	6.3
133.06483	1.3
133.10112	6.2
137.09627	1.2
137.13274	1.0
142.07797	0.9
145.04961	2.0
147.08076	1.7
147.11687	8.3
149.09612	3.4
157.10117	8.8
163.06001	2.7
163.11255	0.6
165.12755	1.8
175.11188	8.3
184.07309	0.7
193.10428	0.9
193.12245	26.0
211.13289	44.1
267.15924	15.3
267.18619	1.0
267.26895	1.3
285.16962	62.8
285.27783	1.1
286.17389	0.7
341.30508	58.2
342.31018	2.3
359.39178	0.6
466.17383	0.6
533.42004	14.5
551.43091	100.0
552.43201	3.7
889.02209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.6
67.05507	10.4
69.03437	1.5
69.03729	0.3
69.07072	5.4
69.65275	0.3
71.01347	0.7
71.04990	2.1
71.08635	12.6
71.49625	0.5
73.02921	1.7
79.05497	10.1
81.03421	6.2
81.07058	15.3
83.01350	5.0
83.04985	5.9
83.08619	9.8
85.02908	10.7
85.06521	0.8
85.10184	8.4
89.05994	1.2
91.03960	6.0
91.05481	6.8
93.07049	11.9
95.04467	0.3
95.04966	3.8
95.08610	11.6
96.04459	0.3
97.02310	0.5
97.02896	7.0
97.06530	2.3
97.10168	3.7
99.04456	2.1
99.11726	0.6
105.04487	0.4
105.07037	4.5
107.04958	4.1
107.08590	6.9
109.02870	0.7
109.05928	0.3
109.06521	3.8
109.09496	0.5
109.10158	5.5
111.04404	1.3
111.08045	1.1
111.11671	1.2
115.05427	0.4
117.07028	4.0
117.09081	0.3
119.08578	4.3
121.06539	1.6
121.10144	4.2
123.04380	0.5
123.07342	0.3
123.08074	4.4
123.11696	2.4
125.05934	0.7
125.09590	1.0
127.03923	2.6
128.06200	0.3
129.06963	0.9
130.07729	0.5
131.04900	0.3
131.08569	1.6
133.10103	1.1
135.08023	1.3
135.11687	6.4
137.09543	0.7
137.13248	0.7
139.11185	0.4
143.08566	0.7
145.04921	2.9
145.06427	0.7
145.10126	9.1
147.08009	1.1
149.09612	0.6
151.11148	0.3
153.12714	1.6
155.08513	0.9
163.05989	3.2
163.11183	14.7
165.09065	0.4
173.09631	2.1
180.08746	0.4
181.12172	2.0
191.10658	1.2
209.11719	4.0
227.12840	2.2
267.26837	0.9
283.15399	100.0
284.15768	2.1
285.27878	1.1
291.19495	0.8
341.30508	67.1
342.30960	2.2
549.41510	51.9
550.41779	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	907.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71001	0.3
65.03948	0.3
66.03466	0.3
67.05510	2.9
68.13662	0.2
69.03426	3.5
69.07072	0.6
69.27154	2.4
71.01368	0.5
71.04986	0.9
73.02918	3.9
79.05492	2.4
81.03405	2.0
81.07062	3.1
81.16565	0.3
83.04974	0.6
83.08602	0.7
85.02432	0.5
85.02908	5.6
87.04497	0.4
87.10777	0.2
91.03957	3.4
91.05491	1.7
93.07040	2.3
95.05006	0.7
95.08607	1.9
97.02889	5.8
97.06522	0.3
98.20750	0.5
99.04461	1.1
101.02386	1.4
103.03964	0.3
105.07045	1.3
107.08608	1.1
109.02907	1.0
109.06499	0.5
109.10136	1.3
110.10513	0.2
115.03946	0.6
117.07024	0.4
119.08613	0.7
121.06503	0.3
121.10151	1.2
123.08126	0.3
127.03931	1.7
131.08566	0.6
133.10144	0.4
135.08049	0.4
135.11740	1.0
145.05020	0.3
145.10117	0.8
147.11659	0.3
163.11234	1.4
173.09744	0.3
185.04144	0.3
195.20227	0.2
203.05309	0.6
209.11812	0.4
243.08414	1.8
262.08392	0.3
283.15604	0.5
305.13736	0.3
312.18433	0.3
335.26071	0.4
347.09497	1.8
363.09027	0.5
365.10852	0.7
405.13715	5.2
405.18668	0.4
467.18860	5.3
468.19568	0.3
490.36172	0.4
519.29327	2.8
543.00745	0.3
547.39630	0.6
548.40503	0.5
629.24146	5.7
643.18030	0.3
681.34735	3.1
712.35577	0.3
745.41766	1.2
907.46582	100.0
908.46857	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	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.9
67.05510	46.3
69.03442	4.3
69.07075	12.9
69.86742	2.3
69.87150	1.0
71.05000	4.6
73.02930	3.6
77.03910	0.9
79.05500	37.2
81.03423	53.3
81.07063	44.5
82.07383	0.5
83.04988	12.6
83.08156	1.3
83.08626	19.5
83.09123	1.1
84.14877	0.6
85.02914	27.8
85.06541	2.1
91.03967	7.9
91.05490	34.3
92.05797	0.7
93.07051	36.4
95.04977	19.8
95.08613	29.8
97.02900	7.2
97.06545	4.6
97.10195	4.4
99.04457	1.0
99.08111	1.9
105.04550	1.3
105.07036	23.5
106.07367	0.6
107.04959	5.1
107.07877	1.2
107.08605	19.5
109.06520	4.7
109.10161	12.7
111.04478	1.8
111.08084	8.4
113.06004	0.9
115.03918	0.8
115.05434	0.9
117.07037	5.3
119.04927	0.6
119.08594	19.7
121.06513	1.8
121.10147	15.6
123.08092	3.0
123.11703	5.2
125.09637	1.6
127.03940	2.1
128.86433	0.6
129.07005	8.4
131.08575	15.2
133.06493	2.4
133.10146	14.5
135.11696	8.4
137.09634	1.7
137.13255	1.3
142.07800	3.2
142.83633	0.6
143.08630	0.8
145.04951	3.3
145.10129	5.8
147.08054	1.9
147.11693	17.1
147.12816	1.1
149.09628	5.5
149.13281	4.3
151.11259	0.8
155.08598	1.2
157.10144	10.1
159.11720	3.4
161.13283	3.1
163.06013	3.3
163.11205	1.0
163.14833	1.3
165.12750	2.7
169.10167	0.7
171.11642	0.6
173.13252	3.0
175.11197	12.6
175.14778	1.5
183.11710	0.7
187.14903	1.5
189.11111	0.7
189.16418	0.7
193.12259	38.3
201.16512	0.8
211.13303	62.2
212.13686	0.8
227.12766	1.7
229.14458	0.9
243.21097	2.8
261.22171	8.2
267.15936	13.6
274.37814	0.5
285.16983	69.9
286.17419	1.4
301.25366	1.4
317.24857	2.2
320.25967	0.7
333.24261	0.7
335.25830	63.3
336.26160	1.2
364.74017	0.6
391.15152	0.7
417.31671	0.8
435.32526	1.8
453.33505	2.5
471.34903	0.8
509.36600	0.9
527.37347	13.1
545.38391	100.0
546.38672	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	907.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	4.5
69.03431	3.6
69.07073	1.0
69.98111	0.6
69.98512	1.2
70.36032	0.3
71.01345	0.7
71.05000	0.4
73.02911	3.4
79.05492	3.2
79.34985	0.3
81.03408	1.8
81.07059	3.9
83.01382	0.4
83.04993	0.8
83.08641	0.6
85.02904	6.6
91.03960	3.5
91.05478	1.8
93.07051	3.5
95.04991	0.4
95.08611	2.2
97.02898	6.2
97.10166	0.4
98.20714	0.4
99.04487	1.0
100.79041	0.4
101.02401	1.3
103.03942	0.4
105.07066	1.0
107.05000	0.4
107.08617	1.6
109.02894	0.6
109.10163	1.6
117.07067	1.0
119.08620	1.3
121.10184	1.1
123.08106	0.5
127.03913	1.7
131.08568	0.6
135.11745	1.0
137.09686	0.4
145.04971	0.4
145.10153	0.8
146.09593	0.5
163.11203	1.2
185.04272	0.7
243.08452	2.0
249.11211	0.5
335.25824	0.4
336.26212	0.4
338.27368	0.5
339.58588	0.3
347.09723	1.4
363.09055	0.7
365.10773	0.7
405.13702	4.8
405.18640	0.4
467.18860	3.5
487.00342	0.4
519.29224	4.0
547.39270	0.5
548.40509	1.0
608.30981	0.4
629.24030	2.4
681.34521	5.5
682.34064	0.4
745.41528	1.1
907.46600	100.0
908.46985	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	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.9
67.05505	42.5
69.03430	3.4
69.07071	9.8
71.05002	3.5
73.02910	2.7
77.03910	0.7
79.05494	36.2
81.03419	41.9
81.07056	45.9
83.04980	9.9
83.08621	16.9
85.02907	24.6
85.06503	2.3
91.03962	5.8
91.05482	29.3
93.07043	37.7
95.04396	1.0
95.04966	16.0
95.08606	32.4
97.02888	7.4
97.06535	3.7
97.10171	3.3
99.04398	0.6
99.08058	1.2
103.05522	0.6
105.04497	1.2
105.07032	19.4
107.04960	4.4
107.08598	18.6
109.06517	4.1
109.09496	0.9
109.10158	11.6
111.04385	1.6
111.08092	6.1
113.05989	1.6
114.58494	0.5
115.03896	0.6
115.05397	1.4
117.06374	0.5
117.07024	5.9
119.08581	19.0
121.06461	1.1
121.10146	18.0
123.08082	2.4
123.11713	4.4
124.87568	0.5
125.09585	1.1
127.03869	1.8
127.11153	0.6
128.06166	1.1
129.06999	7.2
129.29926	0.5
131.07611	0.7
131.08565	13.1
133.06458	1.9
133.10123	11.0
134.21933	0.4
135.11702	8.8
137.09552	1.6
137.13194	1.7
142.07744	1.8
143.08524	0.7
144.06514	0.5
145.04941	2.4
145.10110	6.6
147.07993	1.4
147.11696	13.5
149.09590	4.1
149.13266	3.8
151.11136	0.7
155.08517	0.9
156.71095	0.5
157.08974	0.8
157.10136	10.3
159.11707	2.9
161.13223	2.1
163.05952	1.7
163.11153	1.1
163.14761	1.7
165.12744	1.6
166.29260	0.5
169.10231	0.6
171.11687	1.1
173.13264	3.7
175.11209	8.4
175.14850	1.0
185.13100	0.6
187.14732	1.5
193.12242	27.8
197.13284	0.8
199.14906	0.6
201.16376	0.7
211.13286	36.8
212.13647	0.9
214.79012	0.5
219.17331	0.6
243.21120	3.0
259.20306	0.5
261.22162	9.6
267.15845	10.4
275.20184	0.5
279.23239	0.9
285.16977	43.2
286.17081	0.7
301.25137	1.0
317.24722	2.1
335.25803	71.1
336.26062	2.4
435.32626	2.2
436.25836	0.5
453.33658	1.2
471.34668	1.4
527.37347	13.2
545.38379	100.0
546.38831	4.3
563.39807	0.9
689.41974	0.6
728.15576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.5
67.05510	44.7
69.03436	3.4
69.07069	10.8
69.21875	4.6
71.01352	0.9
71.04993	4.3
73.02917	5.0
73.06596	0.6
77.03917	1.0
79.05499	37.8
81.02935	0.6
81.03421	12.0
81.07061	46.4
82.07430	0.6
83.01346	8.2
83.04982	11.1
83.08154	0.9
83.08624	12.3
85.02911	20.3
85.06537	1.8
86.41053	0.6
91.03960	9.6
91.05488	24.7
93.07052	47.0
95.04981	8.6
95.08611	34.7
96.04536	0.7
97.02898	11.8
97.06535	4.4
97.10156	4.4
99.04459	3.0
99.08080	1.0
103.05457	1.0
105.04509	1.3
105.07041	15.3
107.04947	6.9
107.08599	25.1
109.02910	1.7
109.06530	6.0
109.10165	14.3
109.10909	0.4
111.04458	2.0
111.08060	2.5
115.03993	1.3
115.05439	0.8
117.07025	10.8
119.08591	16.1
121.06504	3.5
121.10152	18.1
123.08068	8.3
123.11723	5.6
125.06005	1.0
125.09652	4.7
127.03963	4.3
128.06189	1.0
129.07036	1.7
130.07791	1.8
131.08588	11.8
133.10136	8.1
135.04453	0.7
135.08055	1.8
135.10696	1.3
135.11707	20.4
137.09634	2.7
137.13278	1.3
139.07547	0.7
143.08549	1.9
145.04971	5.2
145.06508	0.8
145.10136	16.8
146.38692	0.6
147.08073	2.0
147.11711	5.0
149.09663	1.2
149.13260	5.9
153.12750	3.2
155.08582	1.8
157.10141	1.4
159.11717	5.4
161.13272	3.7
163.06027	6.2
163.11188	22.3
163.14867	2.5
171.10216	1.0
171.11612	0.8
173.09634	2.3
173.13274	5.1
175.14865	1.1
177.16374	0.8
181.12219	3.8
183.11758	1.2
185.13374	0.7
187.14865	2.0
189.11229	2.8
191.09201	0.6
191.10573	3.2
193.12291	2.1
197.13199	0.7
199.14859	0.9
201.16362	0.8
209.11691	7.9
211.13324	2.1
215.17838	0.7
227.12785	12.8
241.19565	1.1
243.21152	4.3
259.20630	2.6
261.22189	15.4
267.15982	1.8
273.22229	0.9
277.21863	0.7
279.23303	0.6
281.22598	0.6
283.15421	100.0
284.15802	2.1
299.23676	4.7
317.24805	4.5
333.24261	3.1
335.25830	67.2
336.26230	1.8
362.50299	0.7
415.30029	1.5
423.32764	1.0
433.31210	3.0
451.32227	4.0
469.33249	2.2
487.34247	1.7
515.37512	1.0
525.35876	5.2
543.36865	59.3
544.36957	3.3
561.37885	5.0
878.17126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85692	0.5
65.03938	3.0
67.05506	47.6
69.03430	4.3
69.07071	12.1
69.07424	0.6
70.66423	1.9
71.01324	1.0
71.04993	4.4
71.08615	0.8
73.02921	4.2
77.03889	1.0
79.05496	42.2
81.03416	10.3
81.07057	49.3
83.00900	0.7
83.01341	7.1
83.04987	11.1
83.08167	0.9
83.08618	12.4
85.02908	19.9
85.06509	2.1
86.17337	0.6
88.38425	0.6
91.03437	0.7
91.03956	11.8
91.05480	26.2
93.07045	48.5
94.04116	0.5
95.04488	0.6
95.04972	7.7
95.08609	37.1
96.04523	0.7
97.02309	0.7
97.02895	10.9
97.06013	0.5
97.06532	5.0
97.10175	5.0
99.04457	3.5
99.08060	1.2
103.05444	0.9
105.04501	1.1
105.07036	20.4
107.04317	0.6
107.04962	6.7
107.08598	25.6
109.02862	0.8
109.05934	0.6
109.06532	6.2
109.10160	14.6
111.04412	2.0
111.08079	2.9
111.11707	0.7
113.09602	0.7
115.03915	1.0
117.06258	0.7
117.07021	10.6
119.08589	15.7
121.06485	2.6
121.10148	21.7
123.07333	0.7
123.08089	7.4
123.11702	4.4
125.05969	1.1
125.09636	5.2
127.03915	4.8
129.06964	2.2
130.07753	1.4
131.08572	11.6
133.09262	0.8
133.10141	9.7
135.08012	2.5
135.11694	20.0
137.09575	1.8
137.13217	1.6
139.11185	1.1
143.08511	1.6
144.06509	0.6
145.04929	6.2
145.06152	1.0
145.10130	19.2
147.08018	1.2
147.11690	5.7
149.09628	1.6
149.13271	7.5
151.11151	1.3
153.09039	0.7
153.12730	2.9
155.08549	2.3
157.10095	1.4
159.11703	5.6
161.13235	4.1
163.06023	5.4
163.11191	22.1
163.14767	2.6
169.10213	0.8
171.10182	0.8
171.11656	1.1
173.09630	2.5
173.13261	5.1
175.14809	2.1
177.16403	1.0
181.10262	0.5
181.12253	3.8
185.13223	0.7
187.14807	2.3
189.11211	2.3
191.10695	3.3
193.12193	1.8
197.13293	0.6
199.14833	0.8
201.16374	1.4
209.11720	6.6
211.13315	1.3
227.12749	8.9
233.22571	0.9
237.64970	0.6
243.21136	5.5
250.35861	0.7
259.20541	2.3
261.22110	19.3
267.15878	2.5
273.22293	0.8
277.21671	0.9
279.23312	0.7
281.22745	0.6
283.15408	100.0
284.15671	2.7
299.23718	5.2
315.23651	0.6
317.24789	6.5
333.24310	2.3
335.25806	94.1
336.26028	2.8
423.32596	0.8
433.30899	1.1
451.32098	3.8
457.46127	0.6
469.33197	3.3
487.34515	1.5
515.37537	2.0
521.82147	0.6
525.35864	6.5
543.36841	87.4
544.37402	4.7
561.37866	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	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	1.6
66.51284	0.5
67.05507	36.3
67.05833	1.4
69.03391	2.0
69.07072	10.5
69.83525	0.7
69.83819	2.7
70.29111	0.5
71.04974	2.4
72.65810	0.5
73.02875	1.7
75.51617	0.4
77.03890	0.7
79.05495	34.0
81.03421	3.9
81.07058	36.4
83.01325	0.6
83.04983	4.0
83.08617	8.8
85.02902	5.2
85.06527	1.2
91.03944	2.3
91.05480	18.6
93.07046	42.1
95.04975	5.6
95.08610	42.0
96.08933	0.7
97.02895	5.3
97.06538	4.4
97.10177	2.3
98.21452	0.5
99.04449	3.0
99.08045	1.2
99.17766	0.5
105.04476	0.9
105.07040	14.0
107.04952	6.7
107.08598	27.6
109.06509	2.5
109.10159	12.1
111.04416	1.1
111.08044	1.7
113.09661	0.6
117.07019	8.5
119.08585	12.9
121.06508	3.6
121.10147	16.2
122.10486	0.5
123.08009	1.9
123.11721	2.9
125.05988	2.4
125.09576	1.0
127.03870	0.8
129.06996	0.9
130.07726	1.4
131.08583	6.1
133.09250	0.6
133.10132	6.7
135.08009	2.1
135.11697	33.1
137.09564	0.6
137.13170	0.7
139.02267	0.5
139.07494	1.2
143.08516	1.1
145.04938	1.0
145.10126	19.6
147.07993	0.8
147.11690	3.3
149.09567	1.0
149.13275	3.8
153.12694	1.6
157.10158	0.7
159.11681	3.7
161.13222	2.0
162.07974	0.5
163.05983	1.5
163.11191	38.5
163.14799	1.5
173.09674	0.9
173.13226	2.9
175.14787	0.7
175.68176	0.5
177.16383	0.5
181.12219	6.2
184.07338	0.6
185.13142	0.7
187.14827	1.3
191.10590	0.6
193.12112	0.8
209.11647	1.8
227.12784	42.5
232.34137	0.6
243.21069	2.8
261.22156	8.7
275.20209	0.6
283.15405	58.7
284.15732	1.1
291.31873	0.5
299.23718	1.3
317.24756	3.2
335.25809	100.0
336.26151	3.2
389.89496	0.5
451.31995	0.7
469.33456	0.6
507.39545	0.5
525.35449	1.0
543.36835	93.2
544.37311	4.2
561.37817	1.5
706.31732	0.5
773.30695	0.5
902.48511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.5
67.05509	68.0
69.03422	8.8
69.07069	12.7
71.04996	9.7
73.02933	5.0
79.05501	47.9
81.03426	100.0
81.07059	38.6
82.07388	2.0
83.04977	25.1
83.08629	32.1
85.02913	16.7
85.06561	6.4
87.04480	14.4
91.03964	3.4
91.05489	45.0
93.07058	27.9
95.04982	35.6
95.08620	17.4
97.02908	12.4
97.06538	11.0
97.10165	13.2
98.07327	4.6
98.20772	9.1
99.04447	6.0
99.08112	2.4
105.07037	27.6
107.04973	16.4
107.08607	16.2
109.02856	3.5
109.06519	4.8
109.10164	40.0
111.04482	10.4
111.08076	12.3
113.06065	2.9
115.05424	2.8
116.04723	7.8
117.07022	8.5
119.04938	4.3
119.08604	25.2
121.02856	3.1
121.06514	4.9
121.10142	13.4
123.04443	3.0
123.08102	5.0
125.09653	17.4
129.05502	21.6
129.07002	12.9
131.08585	18.4
133.06471	4.7
133.10150	15.3
135.04439	3.6
135.08084	5.8
135.11697	8.4
137.06039	3.8
137.09616	5.0
142.07758	2.2
143.07054	4.6
145.06529	2.1
145.10129	8.4
147.08076	8.1
147.11671	15.5
149.09616	9.8
150.56047	2.1
153.09160	2.3
153.12781	16.3
153.13902	3.1
155.10707	4.0
157.08626	7.6
157.10141	15.8
163.11186	19.4
165.12796	3.4
171.10172	3.6
173.09741	2.7
173.11740	12.8
175.11235	16.2
181.12253	15.8
182.33928	2.0
183.11745	2.7
189.11278	11.5
191.10733	7.7
193.12276	45.4
199.13345	6.3
200.14091	2.3
201.09232	2.5
201.12698	2.5
201.14862	2.0
209.11769	8.8
211.13303	37.1
217.05019	3.1
219.13882	3.9
227.12793	30.4
229.12244	3.3
229.14366	41.0
247.13324	23.6
249.15076	3.9
255.91174	2.2
265.14401	4.6
267.15933	78.1
268.16425	2.5
283.15463	18.6
285.17010	24.2
301.16537	32.8
321.16953	10.2
383.22092	5.9
421.25803	11.1
439.26950	60.1
440.27466	3.3
459.27515	2.9
475.27103	22.6
476.27509	3.8
493.28055	29.3
525.30750	7.3
631.20667	2.5
672.48059	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	899.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34889	0.5
69.03423	0.5
71.48847	0.6
82.99879	1.3
97.02863	0.8
101.00874	6.3
109.01398	1.0
113.00877	1.9
119.01929	8.0
127.02398	2.4
127.03909	0.5
131.01894	3.2
139.02394	1.2
142.89795	0.5
143.01906	16.5
145.03461	9.7
147.01405	1.1
153.02879	0.6
153.03961	3.2
155.01886	11.3
157.03467	3.8
161.02966	11.6
167.01878	9.7
169.03456	19.7
171.05019	6.4
173.01822	0.4
173.02979	11.2
179.01889	5.8
181.03424	1.4
185.02959	29.2
187.02980	0.5
187.04518	11.3
190.07152	0.6
193.03424	1.1
197.02960	17.9
198.63885	0.6
199.04575	1.5
203.03998	6.2
209.02959	2.1
211.04541	1.7
213.02457	0.8
215.04007	14.9
221.05026	0.8
227.04021	8.9
229.05511	0.7
233.05032	1.6
239.04060	1.3
241.05417	0.7
245.05083	100.0
246.05309	3.4
257.05093	6.5
263.06165	12.1
271.06686	0.9
275.06125	72.8
276.06400	2.2
287.06055	6.3
289.07599	0.6
293.07199	5.3
299.06293	0.6
305.07181	17.7
306.07269	0.6
316.08865	0.5
317.07199	2.6
323.08344	1.1
335.08255	16.3
347.08258	1.6
359.08069	0.9
365.09293	31.6
366.09503	1.7
377.09277	3.6
383.10556	0.9
395.10425	2.9
407.10437	0.7
425.11438	38.4
426.11490	1.1
437.11368	2.8
455.12558	6.1
485.13486	4.0
527.14545	1.8
539.14716	2.1
545.15546	1.2
557.15741	25.8
558.15729	1.2
882.89716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.0
67.05506	22.4
69.03428	4.4
69.07070	9.5
70.93483	1.1
70.93832	1.4
71.04994	1.9
71.08634	20.6
73.02918	4.5
79.05026	0.8
79.05495	16.1
81.03419	7.2
81.07058	23.6
82.04189	1.9
83.04980	9.7
83.08618	11.9
85.02907	16.8
85.06522	1.6
85.10187	14.5
89.06012	1.8
91.03957	7.3
91.05487	12.5
93.07043	11.8
95.04974	8.6
95.08609	23.8
97.02895	9.6
97.06538	3.8
97.10174	8.4
98.07307	2.6
99.04462	2.0
99.08092	1.2
99.11737	1.2
103.07561	1.3
105.07039	5.2
107.04956	6.4
107.08599	9.1
109.02878	0.8
109.06524	2.6
109.10162	11.3
111.04449	7.4
111.08071	3.0
111.11727	1.0
115.03932	0.8
116.04731	4.8
117.07003	3.7
119.08588	4.2
121.06509	1.8
121.10124	5.4
123.04424	0.9
123.08086	2.2
123.11720	3.5
125.05946	0.7
125.09633	6.6
127.03899	3.3
129.05479	10.1
129.07013	1.7
130.07793	1.3
131.08591	4.3
133.10121	3.8
135.08075	2.3
135.11697	8.9
137.09593	1.1
137.13245	1.6
143.07025	2.2
143.10713	0.9
145.04976	3.8
145.06497	1.2
145.10138	8.0
147.08070	1.3
147.11699	1.3
149.09608	2.4
153.08994	0.7
155.08528	1.3
157.08617	4.5
157.10069	1.3
158.05719	0.7
163.06067	3.6
163.11185	8.9
171.06573	1.5
171.10098	1.3
173.09651	3.7
181.12233	2.7
184.07327	1.2
185.08138	1.0
189.11243	2.2
191.10657	3.5
193.12227	1.2
199.13171	1.3
209.11739	14.7
213.11317	0.7
227.12776	7.4
229.14307	1.5
238.40154	0.7
239.23758	3.7
255.15915	4.0
257.24741	2.2
267.15927	2.9
269.17554	0.9
283.15408	74.5
284.15762	1.3
301.16464	36.9
311.22079	1.2
313.27374	100.0
314.27670	2.9
367.28412	3.9
395.31613	1.9
438.36621	1.5
467.37137	1.3
505.38907	2.4
521.38409	42.6
522.39331	3.1
523.40247	1.2
539.39459	85.6
540.39502	3.7
716.30829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.2
67.05507	54.3
69.03429	4.2
69.07073	20.2
71.04999	4.1
71.50595	3.9
79.05492	50.1
81.03422	16.5
81.07059	81.7
83.04982	9.3
83.08621	47.6
85.02895	2.9
91.05478	50.7
93.07047	51.3
95.04970	57.5
95.08615	32.2
97.06537	9.9
97.10165	20.9
99.08126	2.4
103.05471	2.4
105.07031	35.1
107.04951	29.4
107.08599	27.9
109.06516	16.6
109.10168	15.4
111.04447	6.7
111.08073	13.1
116.42735	2.1
117.07030	20.2
119.08585	40.5
121.06506	12.8
121.10130	23.4
122.08075	2.0
123.08086	10.8
123.11689	2.7
125.09636	19.3
128.06264	2.8
129.06990	9.5
130.07697	2.5
130.95357	1.9
131.04933	2.6
131.08583	26.2
133.06519	6.8
133.10126	21.3
135.08061	9.6
135.11668	15.2
136.49933	2.0
137.09650	4.5
139.11195	4.2
141.07045	4.3
142.16832	2.4
143.08575	7.5
145.06505	4.5
145.10115	37.7
146.07289	2.4
147.08066	14.7
147.11691	17.8
149.09619	29.1
149.13252	4.2
151.11212	2.4
153.09087	5.0
153.12715	3.2
155.08565	6.9
157.10139	8.7
159.08040	3.9
159.11729	14.8
161.09637	9.0
161.13275	6.1
163.11182	40.7
163.14859	3.2
165.09232	3.2
165.12819	5.2
169.10202	3.0
171.10301	2.6
171.11749	7.6
171.14952	2.1
173.09610	10.8
173.13275	7.2
174.14201	2.6
175.11172	2.8
175.14803	2.2
177.12762	6.1
181.12323	3.6
183.11707	2.6
185.13263	4.6
187.11203	4.6
189.11192	16.9
189.12675	3.2
191.10742	8.3
197.13359	3.3
205.12204	4.2
211.14731	2.9
213.16405	2.6
215.17880	2.5
223.13287	35.2
227.12814	8.5
229.19434	3.2
237.81543	2.3
239.17982	9.1
247.20634	2.5
249.14807	2.8
255.17435	4.9
257.19052	12.0
261.22119	3.4
273.18536	31.5
275.20081	100.0
276.20520	2.6
290.18771	6.1
291.19574	80.7
293.21112	97.6
294.21350	3.9
309.20551	9.2
325.42493	2.5
501.62534	2.2
531.66876	2.2
533.39374	3.8
551.40930	5.1
565.39008	2.5
583.39764	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	894.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.4
67.05508	23.6
69.03434	4.1
69.06739	0.7
69.07074	8.3
71.04983	1.8
71.08243	0.9
71.08635	15.1
73.02921	3.0
79.05496	14.6
81.03419	6.6
81.07063	19.6
83.04990	3.3
83.08154	0.8
83.08621	9.9
85.02909	10.7
85.06551	0.8
85.10182	8.8
89.06029	1.0
91.03963	6.7
91.05480	9.3
92.85072	0.5
93.07051	12.1
93.50976	0.6
95.04975	10.8
95.08616	15.3
95.09243	0.7
97.02902	6.8
97.06507	1.6
97.10175	10.6
99.04425	1.7
105.07052	4.6
107.04959	4.7
107.08605	8.7
109.02896	1.4
109.06516	1.9
109.10156	11.3
111.04517	0.6
111.08063	1.5
111.11689	0.6
115.03871	0.8
117.07024	5.5
119.08614	2.9
121.06478	3.8
121.10154	3.5
123.08070	1.4
123.11703	2.0
125.06068	0.6
125.09628	8.3
127.03928	2.7
129.07027	0.7
131.08577	4.2
133.10153	3.0
135.08116	2.5
135.11700	1.7
137.13245	1.3
141.06990	1.1
145.04977	3.1
145.06482	1.0
145.10110	2.5
149.13251	1.6
153.09125	1.5
159.11682	5.2
161.09636	0.8
163.06071	3.2
163.11177	0.6
169.10112	1.6
171.10173	1.3
173.11798	1.0
177.12720	2.8
187.11214	2.8
189.11237	6.3
193.12221	0.6
195.09439	0.5
205.12262	4.2
212.18433	0.6
223.13310	33.5
227.12839	4.8
229.14296	3.0
239.23706	1.6
257.24750	1.7
279.15836	2.9
297.16983	100.0
298.17337	2.4
307.80658	0.6
313.27377	65.1
314.27753	2.1
418.90594	0.5
467.37415	6.8
507.40466	0.7
517.39050	1.6
535.39984	53.4
536.40002	2.3
553.40894	1.7
558.18384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	1.9
67.05522	7.9
69.03439	18.4
71.04978	1.9
73.02925	2.6
73.59618	1.4
77.03937	1.6
79.05510	5.8
81.03428	11.8
81.07056	1.3
83.01370	1.8
85.02917	34.3
87.04485	3.3
91.05482	8.0
95.04984	17.9
97.02904	16.4
99.04471	2.3
103.05460	6.4
105.03392	2.5
105.07053	5.3
106.06577	2.2
106.56045	1.4
107.04967	7.4
109.02912	6.9
109.06564	1.6
115.05455	9.2
117.05801	2.9
117.07040	5.0
118.06554	3.4
119.04973	2.8
120.08109	1.4
123.04432	10.0
123.81456	1.4
125.02366	11.3
127.03918	6.3
128.06248	5.3
129.07028	10.0
130.06541	20.2
131.04987	5.5
131.08591	3.9
132.04453	8.6
132.08096	18.3
133.02896	2.1
133.06522	3.3
134.06068	2.0
135.04469	5.0
139.03981	1.8
141.07062	4.6
141.72774	1.3
142.06525	7.2
143.07367	5.3
143.08549	3.0
144.08110	21.0
145.04947	2.3
145.06548	3.1
146.06053	5.9
147.04460	5.2
147.08099	3.2
148.07631	2.6
149.06082	2.4
151.03922	84.1
152.04225	1.5
152.06282	2.6
153.05627	2.4
153.07036	7.5
154.06577	4.1
155.08618	5.9
156.06850	1.7
156.08101	2.9
157.06528	4.8
157.07697	3.2
158.06058	2.7
158.08437	7.2
158.46329	1.3
159.04453	8.5
159.08044	2.6
159.09195	60.0
160.07603	73.9
161.06046	2.8
162.03191	3.9
163.03944	2.1
165.05821	1.5
165.06975	6.8
166.07832	1.7
166.57129	1.5
167.07286	1.9
167.08546	1.7
168.08109	3.2
169.07634	91.5
170.08360	6.4
171.08015	2.0
171.09224	23.3
172.07628	3.3
172.09891	1.7
173.06013	1.9
175.03929	9.7
175.08755	6.2
177.05562	4.7
177.10248	42.6
179.08672	2.8
180.05859	1.4
181.06549	4.2
181.10229	3.4
182.08473	4.6
183.07985	2.6
183.09346	3.7
185.06073	5.0
186.09187	2.1
187.03983	4.0
187.08722	4.6
188.86447	1.3
189.05333	1.4
190.07913	1.9
194.09618	7.2
195.09314	3.1
199.07550	6.7
201.05414	1.5
203.03423	12.4
203.07115	4.7
204.08162	1.9
205.05011	3.3
205.10316	2.7
209.06065	5.4
211.07443	2.7
211.09036	2.2
211.12431	1.5
212.10788	2.0
213.05606	5.0
215.08713	2.5
217.08813	2.0
218.09671	2.2
219.09242	2.0
220.11418	1.9
221.04562	2.4
221.08458	1.5
221.10765	6.5
222.09126	3.2
227.07048	10.4
229.08621	2.1
230.09772	3.1
230.13297	1.5
231.02931	2.8
231.06606	2.2
233.10774	3.0
234.09248	2.9
237.05621	3.7
238.08745	2.4
239.07103	2.1
239.11803	2.7
241.09178	1.6
244.11281	2.3
245.08342	2.7
245.10631	2.6
246.09282	2.5
247.12460	2.8
248.10788	2.8
249.04170	1.8
255.06607	13.2
255.09200	1.6
255.10435	2.5
257.08267	4.1
258.09222	3.1
259.12445	1.5
261.09402	1.7
262.08740	2.5
263.11874	2.4
264.10345	2.0
265.05130	3.2
265.09085	2.2
265.13470	1.8
269.10751	2.3
271.12381	1.5
272.10928	2.8
273.07635	6.4
273.10446	5.0
273.13977	2.0
274.08673	3.9
279.07239	1.4
279.10400	4.2
283.06104	6.5
283.09659	2.9
287.12085	2.9
289.09357	2.7
291.11340	10.1
293.12943	1.4
297.14001	1.8
300.13644	1.6
301.07211	12.1
301.10745	5.9
302.11694	4.6
307.10046	4.9
309.12299	7.9
315.11447	3.1
316.12967	1.9
317.13196	2.9
319.08047	15.5
325.10699	5.8
327.12033	4.8
335.08975	1.7
343.11530	3.8
345.12506	2.5
346.10910	4.8
353.10095	8.6
361.15536	2.1
371.10703	8.7
372.11224	1.9
379.16623	2.9
389.11902	11.3
397.15942	2.2
415.16711	3.7
437.28015	1.5
441.14136	6.3
459.15378	9.2
467.20038	1.6
477.16574	7.2
481.13205	2.1
485.21085	4.0
503.21826	3.4
511.18951	4.7
529.19653	10.2
539.19861	1.9
540.21466	3.8
541.21735	6.8
547.21204	5.1
559.23022	11.7
578.20856	6.2
595.22516	2.5
612.18488	1.6
621.21222	5.8
639.21667	8.0
657.23083	1.8
665.27325	5.1
683.28345	5.2
691.25049	11.0
692.24829	2.2
709.26160	27.1
709.38556	1.6
710.26483	2.0
727.27216	13.4
783.95660	1.4
871.31360	29.4
872.31720	3.8
889.32361	100.0
890.32513	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	889.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75532	1.1
65.03931	2.0
67.05520	5.7
69.03432	18.0
69.83267	7.4
71.05003	2.8
73.02914	1.5
73.36530	1.3
79.05492	6.6
81.03413	12.6
83.01351	2.4
83.59510	1.1
85.02905	31.3
85.03381	2.2
87.04494	2.5
91.05500	8.2
95.04968	16.8
97.02899	17.5
99.04475	3.5
103.05473	6.2
105.03401	3.0
105.04577	2.8
105.07035	3.8
106.06546	1.3
107.04978	8.5
109.02908	5.4
115.05437	6.6
117.05773	3.6
117.07044	5.9
118.06570	4.5
119.04983	1.9
121.02888	2.5
121.06517	2.2
123.04427	8.8
125.02354	12.6
127.03933	6.1
128.06224	3.1
129.07021	8.3
130.06520	16.2
131.04991	6.2
131.08577	3.2
132.04446	7.3
132.08087	16.4
133.02864	1.9
133.06496	3.2
134.06052	2.2
135.04462	3.0
135.62531	1.3
139.03967	1.7
141.07025	3.1
142.06502	6.8
143.07327	6.4
143.08600	3.3
144.08075	15.0
145.05098	1.5
145.06529	2.2
146.06058	7.8
147.04424	3.2
147.08104	3.1
148.07608	2.8
149.06009	1.9
151.03908	82.7
152.06200	2.5
153.01865	1.9
153.07030	4.9
154.06580	2.7
154.07820	1.5
155.08607	5.2
156.08072	3.2
157.02835	1.7
157.06490	3.7
157.07701	3.4
158.06084	1.9
158.08408	10.0
158.09589	1.6
159.04453	6.8
159.07077	1.4
159.08017	1.8
159.09180	52.2
160.07582	60.9
161.06042	2.5
162.03197	2.5
163.03986	2.4
165.06984	6.3
166.07913	2.2
167.03528	2.5
167.08539	2.8
168.08150	3.5
168.79356	1.3
169.07625	86.8
170.08437	5.0
171.07947	2.7
171.09207	16.8
172.07626	3.1
173.05963	2.4
175.03914	8.9
175.08769	5.8
177.05542	2.5
177.10252	33.0
178.07767	1.8
181.06558	5.3
182.08510	4.3
183.04317	1.4
183.07947	2.5
183.09264	4.6
184.07567	2.4
185.06015	3.9
186.09268	2.0
187.03969	3.7
187.07326	1.8
187.08759	5.8
189.10350	4.8
194.09721	4.8
195.09276	4.2
199.07585	4.5
203.03387	13.1
203.07143	4.7
204.08125	1.9
205.05032	2.6
205.08548	1.8
206.08313	1.6
208.09895	1.8
209.06087	4.9
209.10957	2.2
211.08865	1.7
211.12387	1.6
213.05537	3.8
218.09685	2.0
221.04416	1.9
221.08475	1.9
221.10841	5.8
222.09294	2.7
226.08653	1.6
227.06926	6.9
229.13654	1.5
230.09825	2.0
231.02994	4.0
231.06538	2.5
231.10568	1.5
233.10802	2.5
234.09280	1.9
237.05563	4.9
238.08752	3.1
239.07001	2.4
239.11911	2.3
245.08160	2.7
245.10730	1.5
246.09222	2.7
247.12457	2.3
248.07243	1.6
248.10847	2.4
249.10205	1.5
255.06509	6.7
255.10538	1.5
257.08325	2.9
258.09253	2.9
260.10687	1.9
261.09256	1.9
262.08658	2.3
263.11804	2.5
264.10266	1.7
265.05103	2.1
265.09659	1.4
265.13425	2.0
271.12387	2.0
272.10794	2.2
273.07690	5.1
273.10358	4.4
273.13873	3.0
274.08655	2.8
275.09174	1.8
275.11957	3.5
278.10675	2.1
279.10532	4.3
283.06146	4.6
283.09616	1.8
287.11874	3.0
289.08948	1.6
290.11328	1.5
291.11414	11.4
291.14453	1.5
297.14056	2.1
299.12079	2.8
299.15485	1.4
300.09933	1.6
301.07150	9.1
301.10660	4.4
301.13806	1.5
302.11804	1.8
303.11331	2.0
307.09949	3.2
309.12161	4.9
315.11420	3.3
317.13068	2.6
318.11374	1.6
319.07999	11.2
325.10538	3.0
327.11646	2.7
327.15115	1.6
343.11182	2.0
345.12631	3.8
353.09949	7.9
358.23062	1.4
361.15555	3.1
371.10748	9.3
372.10880	1.4
379.16678	4.9
387.17096	1.7
389.11926	14.2
390.12216	1.6
397.15646	2.0
412.85034	1.4
415.16617	4.1
441.14435	3.2
459.15103	8.1
463.16074	1.8
477.16595	6.3
485.21075	2.8
493.17838	1.9
503.22183	2.7
511.18808	5.6
529.19745	8.7
540.21112	2.6
541.21533	6.3
547.20776	7.5
551.17828	1.5
559.22906	12.2
595.22742	1.7
621.21375	3.2
623.21057	1.4
639.22131	7.0
657.22827	3.8
665.27228	5.5
673.24359	2.1
683.28802	6.1
691.24957	15.3
709.26044	24.2
710.25629	2.0
721.27966	2.1
727.27155	14.1
827.30957	1.7
854.29755	1.8
871.31323	27.4
889.32349	100.0
890.31525	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	888.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.2
67.05510	95.4
69.03421	9.7
69.07073	40.1
70.22472	2.3
71.05000	18.1
71.49165	3.5
78.61784	2.5
79.05498	70.9
81.03416	14.6
81.07063	100.0
83.04977	11.7
83.08620	18.5
85.02906	7.3
85.06548	7.6
86.09706	4.6
91.05485	58.7
93.07052	80.6
95.04989	12.8
95.08613	38.2
97.02916	6.4
97.06545	29.1
97.10191	11.2
99.08092	5.3
105.04526	4.9
105.07043	46.3
107.04964	9.8
107.08601	46.3
109.06536	9.7
109.10164	31.7
111.08080	9.7
112.90458	2.4
115.05474	4.2
117.07030	25.0
119.08578	31.1
121.06554	6.4
121.10131	25.8
123.08089	8.6
123.11717	4.7
125.09637	9.4
127.03921	4.0
129.07021	9.4
131.08577	34.4
133.06557	3.6
133.10143	29.2
135.08057	9.7
135.11702	20.1
137.09647	3.8
141.06995	4.2
143.08571	10.4
145.06549	2.3
145.10144	24.7
147.08034	4.4
147.11707	16.8
149.09628	12.2
149.13281	15.5
151.11220	5.2
153.09174	2.6
155.08578	6.7
157.10156	11.5
159.08073	3.9
159.11679	17.3
161.09596	3.7
161.13348	4.8
163.11189	8.9
169.10136	8.2
171.11755	7.6
173.11856	3.3
173.13274	6.6
175.11290	2.3
177.12801	6.4
181.10164	3.5
183.11674	4.8
184.07346	6.8
185.13298	4.2
189.11284	3.1
195.13855	6.4
197.13300	5.1
215.17975	2.9
227.12758	9.3
229.14307	17.7
255.15953	5.7
257.19073	8.5
267.15918	2.8
269.17468	21.4
273.18591	3.8
275.20111	31.1
291.19363	3.4
333.46442	2.7
347.22025	3.4
349.23688	28.3
361.39948	2.6
367.24796	5.9
409.25803	8.0
423.27548	31.3
445.29358	7.4
449.28931	15.8
463.30652	22.0
489.32983	2.5
503.33636	8.8
525.35760	11.2
529.34955	7.0
543.36871	48.1
561.37897	12.4
576.34998	2.9
607.35138	11.7
623.42987	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	888.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71859	1.9
65.03940	8.2
67.05506	100.0
69.03442	10.2
69.07073	47.3
69.39118	2.2
70.84178	2.1
71.04993	17.9
72.81422	1.9
73.02934	2.8
79.05019	2.9
79.05496	74.8
81.03426	18.0
81.07059	93.1
83.04979	16.3
83.08621	23.0
85.02892	7.2
85.06568	4.1
86.09682	3.5
91.05483	65.8
93.07047	73.7
95.04958	18.4
95.08614	36.9
97.02882	10.3
97.06538	37.5
97.10184	11.9
99.08092	5.3
105.07032	46.8
107.04948	18.5
107.08593	49.2
109.06535	13.3
109.10154	29.9
111.04452	3.8
111.08053	12.0
115.05426	5.3
115.07568	6.5
117.07018	25.1
119.08598	38.3
121.06498	8.2
121.10147	23.5
123.08076	9.2
123.11722	7.8
125.09663	11.2
127.03883	3.7
128.06230	2.7
129.05510	2.8
129.07010	13.3
131.08578	33.0
133.06509	2.6
133.10156	31.7
135.08038	9.9
135.11691	18.4
137.09625	7.5
139.07553	2.7
141.06976	5.7
142.07771	2.9
143.08565	9.3
145.06464	2.6
145.10147	22.7
147.08029	3.6
147.11681	13.3
149.09628	17.2
149.13251	15.5
151.11183	6.6
155.08575	5.1
155.10664	2.2
157.10110	13.7
159.08049	2.7
159.11703	18.3
161.09636	3.7
161.13341	5.7
163.11183	11.0
165.09125	3.1
165.12788	2.8
167.08501	2.5
169.10121	9.2
171.11673	7.8
173.04454	3.8
173.11848	4.8
173.13301	8.2
175.11168	3.8
177.12732	7.0
179.14362	5.1
183.11674	6.9
184.07349	8.2
185.13274	5.8
187.11124	3.4
187.14857	3.5
189.11208	4.9
189.12758	3.4
195.11787	4.3
195.13789	7.6
197.13242	3.3
215.17691	2.4
217.15903	2.9
223.13100	2.8
227.12801	8.4
229.14375	17.9
239.17979	3.9
247.20538	3.3
251.16495	2.6
253.14343	2.8
255.15697	11.4
257.19073	11.1
267.15924	3.3
269.17517	21.3
273.18527	8.8
275.20065	41.2
291.19647	14.2
293.20941	3.0
321.24478	2.0
331.22784	2.3
349.23767	30.5
350.23956	2.4
353.24738	2.6
365.23352	6.0
367.24918	2.6
374.22128	2.3
406.24768	2.2
409.25815	6.3
413.21942	2.9
423.27383	23.0
431.27893	2.4
433.30820	2.4
445.29413	4.4
449.29126	14.4
451.31985	2.9
463.30597	18.9
467.36374	2.5
503.33569	12.5
515.37250	3.4
525.35895	7.1
529.35455	17.5
543.29443	3.3
543.36932	41.9
544.37341	3.8
559.36578	2.6
561.37799	9.1
575.38898	3.8
607.34540	9.1
620.24048	2.3
623.42657	6.3
634.68024	2.3
655.45227	3.3
687.40802	5.7
708.20300	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	888.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77615	1.8
63.04298	1.6
65.03923	3.9
67.05506	100.0
68.05843	2.8
68.22805	1.3
69.03430	9.8
69.07068	38.2
70.69251	1.5
71.04990	17.6
71.08631	1.5
71.49748	2.0
73.02918	2.7
79.05495	70.0
80.05838	1.8
81.03073	1.5
81.03426	17.7
81.07056	79.4
83.04971	13.1
83.08616	18.9
85.02900	10.4
85.06531	4.8
91.05481	62.0
93.07043	61.6
95.04977	15.3
95.08609	41.2
97.02887	6.4
97.06533	21.0
97.10171	12.8
99.04469	2.9
99.08095	5.2
102.45823	1.4
103.05466	2.5
105.04509	2.0
105.07029	62.5
107.04950	9.3
107.08595	38.3
109.06503	7.8
109.10148	33.3
111.04461	3.4
111.08080	6.3
111.11714	1.7
113.09663	2.3
115.05445	3.4
115.07644	1.7
117.07018	22.3
119.08575	38.4
119.09370	2.9
121.06517	4.8
121.10136	19.6
123.08081	7.3
123.11691	5.0
125.09612	8.4
127.03869	3.8
128.06184	4.6
129.05472	4.0
129.06992	12.6
131.08563	31.0
133.06505	3.6
133.10124	31.8
135.08078	7.0
135.11684	13.0
137.09651	8.1
141.07007	3.7
142.07729	2.3
143.08569	11.9
145.04953	2.0
145.06467	3.2
145.10121	25.9
147.08070	5.2
147.11684	18.2
149.09618	16.7
149.13290	11.0
151.11183	5.1
153.12744	1.5
155.08551	7.8
157.10155	11.4
159.08038	1.9
159.11688	18.1
161.13239	7.6
163.11180	8.6
165.12686	1.9
167.08585	2.7
169.10141	6.1
171.11682	10.3
173.04550	2.9
173.11705	5.5
173.13280	11.7
175.11235	4.4
175.14870	2.4
177.12766	5.8
179.06975	1.9
179.14369	2.0
181.10075	3.9
181.12190	1.9
183.11647	7.8
184.07350	5.6
185.09692	2.4
185.13292	8.2
187.11168	3.4
187.14796	2.5
189.11263	5.1
189.12737	2.1
189.16467	1.6
193.12215	4.5
195.11801	3.1
195.13721	3.6
197.13271	5.3
199.11124	2.7
199.14786	4.0
209.13289	4.7
211.11270	1.8
211.13200	2.6
211.14963	2.9
225.16475	2.0
227.12671	7.6
229.14311	17.0
229.19591	2.7
237.16466	2.7
239.17979	3.8
247.20721	2.6
253.14325	3.0
255.15868	2.7
257.19119	8.4
259.20532	9.6
269.17386	10.4
273.18573	3.9
275.20059	29.7
283.15488	1.6
285.16833	2.2
291.19495	4.0
293.21146	3.3
331.22757	2.6
333.24167	9.5
335.25861	2.4
336.26221	2.3
349.23672	14.2
381.26477	2.6
417.30081	2.1
423.27466	7.6
433.31070	2.3
445.29459	5.1
447.31702	2.0
449.28040	2.4
451.31958	2.2
463.30847	8.5
503.33463	2.6
505.35031	3.2
509.35617	2.2
513.35522	3.6
525.35333	3.9
527.37305	16.5
529.35382	2.8
543.36963	15.3
546.38367	2.5
561.36871	2.5
607.43524	6.8
625.44324	3.8
639.46259	2.1
671.41705	3.0
689.42487	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	888.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.3
65.16647	0.8
67.05511	67.7
69.03424	3.7
69.07075	19.1
71.04998	3.6
71.08627	0.9
71.49042	1.5
71.87823	0.8
73.02918	3.5
79.05497	42.8
80.05807	0.8
81.03427	5.9
81.07064	74.7
83.04982	6.0
83.08620	11.7
85.02914	15.6
85.06566	2.1
87.04472	0.9
91.03980	7.3
91.04908	1.7
91.05485	33.8
93.07051	52.9
95.04986	6.1
95.08616	35.5
95.09149	0.8
97.02894	6.5
97.06535	6.8
97.10159	3.0
99.04461	1.3
99.08109	1.5
105.07040	19.3
107.04948	2.3
107.08601	30.6
109.02886	1.1
109.06516	2.5
109.10165	18.2
111.04452	0.8
111.08096	5.0
113.57745	0.8
115.05477	1.2
116.06295	1.0
117.07017	11.0
119.08577	11.6
121.06483	1.9
121.10158	19.5
123.08056	1.8
123.11713	6.0
125.09631	3.5
127.03927	3.9
129.07001	1.8
131.08577	11.7
133.10141	16.9
135.08089	2.9
135.11723	13.9
137.09644	1.7
137.13243	1.2
143.08556	1.2
145.04971	4.5
145.10117	6.9
147.11697	7.3
149.09686	1.5
149.13260	15.0
149.22514	0.9
151.11195	1.9
157.10095	0.9
159.11726	8.7
161.13249	4.4
163.06044	3.4
163.11151	1.6
163.14796	1.4
171.11673	1.7
173.11876	1.5
173.13272	3.2
175.11279	0.9
175.14833	0.9
177.12776	3.3
177.91966	0.9
179.67584	0.9
185.13271	1.5
187.14793	1.6
195.13821	6.8
197.13245	0.9
201.16359	1.2
229.14333	5.4
238.18008	0.9
243.21039	2.5
251.16541	0.9
253.14455	1.4
259.20679	2.1
261.22156	8.6
267.16037	1.3
268.67957	0.8
269.17502	48.7
270.17914	1.5
273.18417	0.9
275.20166	2.0
281.17462	1.4
293.20978	1.1
317.24811	2.4
333.24249	1.6
335.25836	76.4
336.26022	3.3
349.24030	1.0
366.82056	1.1
423.27255	1.0
435.26785	1.0
437.34088	2.6
511.37943	1.9
529.38940	100.0
530.39258	5.2
547.40118	1.5
880.88879	0.9
888.50409	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	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	4.7
67.05508	100.0
69.03427	11.2
69.06731	2.2
69.07073	26.5
69.69859	2.2
69.70264	6.8
71.01348	2.0
71.04994	7.0
71.08622	1.2
73.02926	2.9
79.05494	57.1
81.03001	1.8
81.03426	20.6
81.07060	66.6
83.04976	15.4
83.08622	17.5
85.02901	13.6
85.06541	5.6
87.04462	2.9
91.04052	1.2
91.05489	40.5
93.07047	47.9
95.04976	12.1
95.08617	30.3
97.02896	9.0
97.06519	12.2
97.10172	13.7
97.61443	1.4
98.20850	2.1
99.04439	1.9
99.08070	3.1
105.04508	3.2
105.07030	26.6
107.04957	9.6
107.08592	31.2
109.02885	1.9
109.06531	8.4
109.10162	55.9
111.04436	3.6
111.08092	6.5
113.05994	1.9
113.09632	2.1
117.07034	14.8
119.07818	2.1
119.08595	24.6
121.06506	5.4
121.10152	15.9
123.04430	1.5
123.08041	5.5
123.11685	4.4
125.09618	10.9
127.03891	2.4
128.06183	1.4
129.05479	5.2
129.06999	3.1
130.07768	1.5
131.08575	17.8
133.06438	2.7
133.10159	18.0
135.08047	7.4
135.11687	13.6
137.09598	4.4
139.11191	2.2
141.06987	1.7
143.08571	5.3
145.10147	12.4
146.09651	2.6
147.08076	2.9
147.11678	9.7
149.09625	8.7
149.13271	10.6
153.56847	1.2
155.10657	3.8
157.10097	5.0
159.11670	10.4
161.09692	2.6
161.13264	3.1
163.11182	12.7
169.10130	2.5
171.10089	1.6
171.11694	3.0
173.04466	3.0
173.09647	2.5
173.11737	12.0
173.13280	4.2
175.11212	2.9
177.12744	4.6
179.14249	2.7
181.10049	1.2
181.12245	4.2
184.07362	3.1
185.13316	1.8
187.11244	1.5
189.11218	2.5
191.10626	3.4
193.12273	3.9
195.13811	5.9
199.11578	1.5
199.13289	5.3
209.11700	4.5
211.13304	1.5
215.17911	1.3
227.12804	8.5
229.14366	34.3
239.17856	3.1
247.20547	2.6
255.15950	6.6
257.19110	6.9
265.14316	1.9
267.15939	5.9
269.17499	24.3
275.20102	17.7
283.15311	2.7
301.16489	7.2
335.25919	1.6
349.23712	18.2
367.24783	2.3
399.23849	13.8
409.25925	7.1
423.27426	21.1
477.28857	1.8
495.29202	4.3
503.33704	7.2
521.34497	1.9
529.38696	2.8
579.34753	5.2
593.28442	1.9
593.36908	27.1
649.08289	1.6
673.42578	3.8
691.43536	1.9
780.63770	1.3
888.49915	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.1
69.03425	2.8
69.07074	0.9
71.01377	0.3
71.05003	0.6
71.08643	1.5
71.49463	0.4
73.02923	3.5
74.00703	0.2
79.05498	2.3
81.03416	2.6
81.07063	2.5
83.04987	0.7
83.08642	1.0
85.02908	5.2
85.10205	0.7
87.04487	0.4
91.03957	3.1
91.05491	2.0
93.07028	1.7
95.04985	1.1
95.08610	2.2
97.02892	5.6
97.06538	0.3
97.10176	0.5
99.04490	0.7
101.02372	2.1
103.03993	0.4
105.07060	0.9
107.04959	0.5
107.08571	1.2
109.02907	0.8
109.06583	0.3
109.10162	1.3
115.03954	0.7
117.07040	0.3
119.08575	1.2
121.10191	0.7
123.11723	0.5
127.03941	1.7
129.05510	0.3
129.07039	0.5
131.08627	0.9
133.06483	0.3
133.10181	0.7
135.11719	0.5
145.04970	0.4
147.11739	0.8
157.10210	0.8
159.11609	0.3
175.11221	0.5
185.04268	0.8
193.12343	1.1
201.03691	0.3
203.05405	0.7
211.13318	0.3
243.08415	1.5
251.12747	0.7
261.33405	0.3
267.15897	0.4
269.17584	0.9
277.50974	0.3
307.15259	0.6
313.27481	0.7
335.25967	1.0
347.09433	2.7
365.10706	0.8
405.13678	4.2
469.20447	7.2
470.21219	0.4
497.31024	4.5
529.38940	2.2
631.25775	6.3
659.36011	3.9
725.44385	1.6
850.72333	0.3
872.96008	0.3
887.49762	100.0
888.49884	5.4
888.66693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	1.2
67.05504	4.2
69.03429	11.2
69.26134	4.7
69.26557	4.7
70.06596	1.3
71.01365	1.6
71.04982	2.0
73.02927	1.8
76.37914	0.9
77.03917	2.1
79.05490	8.5
81.03425	12.6
81.07060	2.9
81.98571	1.0
83.01340	2.1
83.04973	1.4
85.02914	9.4
89.03953	0.9
91.05486	7.3
93.03371	1.3
93.07059	5.9
95.04968	74.5
97.02889	24.3
97.06549	1.1
99.04484	3.3
103.05473	8.1
105.03404	1.8
105.04550	3.7
105.07049	3.7
107.04954	38.8
109.02885	19.6
109.06557	4.2
111.04463	1.7
115.05420	2.3
117.05810	1.5
117.07063	1.9
118.06535	1.1
119.04996	1.2
121.06516	12.5
123.04430	15.9
125.02353	56.2
125.06017	4.4
127.03934	4.9
129.07053	3.8
130.06512	8.4
131.04910	5.7
132.08083	1.9
133.02931	2.0
133.06511	1.9
135.04416	6.5
137.06013	2.4
139.03951	4.6
143.07332	3.3
143.08556	1.8
144.08084	64.7
145.08441	1.4
147.04475	2.8
149.05989	22.2
149.07130	1.4
151.03905	82.9
152.04251	1.9
153.05446	7.2
154.06581	1.7
155.07301	4.0
155.08496	1.2
156.08090	16.4
157.08919	2.3
158.09662	8.0
159.04416	8.1
160.07620	1.1
161.06039	1.5
163.03903	6.5
165.05478	15.9
165.06764	1.7
167.07224	7.3
167.08548	1.3
168.08092	12.5
169.08853	5.4
170.09662	15.9
171.09235	1.9
172.07625	2.1
175.04022	1.4
177.05458	19.6
177.06857	1.4
180.08060	11.9
181.08864	7.6
182.09689	10.7
189.05524	1.8
191.07089	6.3
192.08174	3.7
193.08951	4.0
194.06003	2.1
194.09668	16.3
195.06525	28.5
196.07649	1.0
196.11316	1.9
198.09195	1.8
203.07140	3.5
204.08084	7.1
205.08856	5.9
206.09663	7.7
207.10414	1.1
208.07678	4.7
208.09456	1.2
208.11298	2.7
210.09267	4.2
213.07642	2.9
217.07074	1.1
217.08974	3.8
218.09665	3.0
219.10536	2.0
220.07558	2.0
220.11246	4.5
221.10838	2.0
222.09140	24.3
222.12694	1.9
223.09944	7.8
224.07133	1.2
224.10687	1.3
226.08780	2.4
230.09612	2.9
231.10403	5.3
232.07677	1.8
232.11339	4.7
233.08400	1.6
234.09259	2.9
234.12822	2.8
236.07166	1.7
236.10622	1.4
238.08585	8.2
239.09346	1.0
240.10339	1.5
243.68869	1.0
244.11282	2.3
246.12822	6.7
247.09853	1.5
248.10750	1.3
249.13945	1.7
250.08640	14.3
250.12396	1.5
251.09367	10.6
252.10332	3.8
254.11835	2.1
256.11273	3.7
257.11978	1.0
259.09903	1.9
260.10812	2.0
262.12427	4.2
264.10364	5.0
264.13785	2.2
265.11014	3.2
266.11862	1.5
267.11447	3.7
270.11221	1.4
272.10791	1.8
274.12250	11.0
276.10181	1.6
281.12820	11.7
281.15430	1.2
282.11203	11.6
283.12158	4.2
284.10785	2.8
287.09378	1.2
290.11871	3.1
292.13449	1.1
299.14032	4.0
302.11682	8.8
306.11475	1.0
306.14868	1.3
308.12851	2.2
319.14484	2.7
320.12973	4.5
322.14401	8.7
334.14383	15.8
337.15601	3.0
339.10831	2.2
340.15472	11.5
351.17056	11.6
352.15378	18.4
353.18494	5.1
357.11911	2.9
369.18106	7.8
382.17044	1.2
514.20612	8.0
514.27283	1.0
522.04834	1.0
533.46216	1.1
621.06250	1.2
638.22198	5.0
655.24744	8.2
696.26996	1.3
707.28064	1.4
708.26410	8.9
725.29077	4.3
858.32031	4.1
870.31769	42.7
871.32507	2.4
887.34448	100.0
888.34937	6.1
903.90967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85660	0.7
67.05506	15.4
69.03422	3.3
69.07063	3.1
71.04985	2.8
73.02905	0.7
79.05498	15.6
81.03425	69.7
81.07065	17.0
83.04992	8.4
83.08157	1.4
83.08626	20.9
85.02905	10.8
91.03962	1.9
91.05488	18.5
93.07053	8.2
95.04376	1.4
95.04974	24.4
95.08617	6.2
97.02889	3.0
97.06529	2.8
97.10167	4.8
98.21616	1.6
99.08083	0.7
105.07041	14.9
107.04967	7.0
107.08595	7.3
109.06533	4.5
109.10139	3.3
111.04430	2.8
111.07455	0.9
111.08099	7.1
113.06011	1.5
115.05460	1.5
117.07040	3.1
119.08580	13.5
121.06492	3.8
121.10156	8.0
123.04508	1.2
123.08078	2.1
123.11723	1.4
125.09641	3.7
129.07008	9.9
131.04912	1.3
131.08580	11.3
133.06468	3.2
133.10135	7.5
135.08080	1.2
135.11690	1.0
137.09599	1.0
141.07031	1.0
142.07799	3.1
144.08170	0.8
145.06517	4.5
145.10139	2.9
147.08055	4.3
147.09045	0.9
147.11693	10.0
149.09624	6.0
155.08549	1.3
157.10143	13.5
159.08054	1.2
159.11667	0.9
161.05980	0.8
163.11172	1.5
165.12776	2.4
166.71938	0.7
167.08556	1.0
167.35780	0.6
169.06541	0.9
169.10098	0.9
171.11703	1.6
173.09723	0.7
175.11212	9.5
185.09634	0.8
189.11247	1.3
193.12251	32.8
195.11703	0.9
211.13301	14.2
213.12697	0.8
223.11261	0.9
227.12711	1.2
229.08040	0.9
229.14351	1.8
233.15283	1.4
237.12740	0.9
241.14496	0.9
249.14912	2.1
255.13835	2.6
259.13364	1.4
267.15933	100.0
268.16278	2.7
273.15039	4.1
285.16962	12.9
309.16910	1.7
323.19000	0.9
339.23099	1.3
341.21048	2.3
349.21664	2.6
367.22791	8.4
368.22684	0.9
385.23746	9.6
399.92493	0.8
403.24655	3.4
405.23804	1.0
415.24643	0.9
433.25851	18.8
441.26343	5.5
459.27457	86.0
460.27710	3.7
477.28531	46.0
478.28815	2.4
491.30124	0.9
501.28363	2.3
519.29449	2.3
573.30579	1.4
585.30499	2.1
603.31458	1.6
621.32721	1.2
864.43542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.3
69.03432	4.1
69.07067	0.7
69.25124	2.5
71.01358	0.5
71.04993	0.6
71.08640	1.4
73.02922	4.4
79.05500	1.4
81.03423	2.4
81.07063	2.0
83.01341	0.4
83.05001	0.5
83.08644	1.4
85.02908	6.0
85.10196	0.8
87.04457	0.3
91.03958	3.2
91.05492	0.6
93.07045	1.5
95.05001	0.4
95.08616	1.9
97.02895	7.0
97.10198	0.3
99.04475	1.0
101.02380	2.1
103.03964	0.4
105.07035	0.7
107.04960	0.3
107.08629	0.8
109.02906	1.0
109.06525	0.6
109.10178	1.0
110.14706	0.3
115.03940	0.5
117.88953	0.3
121.10146	0.5
123.08101	0.3
127.03904	2.1
131.08548	0.4
135.11714	0.7
143.21613	0.3
145.10146	0.9
163.11142	1.5
168.79300	0.3
185.04286	0.9
203.05345	0.8
209.11737	0.4
243.08328	2.1
248.71465	0.3
249.11061	0.4
259.07925	0.3
283.15369	0.6
313.27579	0.8
314.27628	0.3
347.09442	2.4
363.09222	0.3
365.10696	1.0
405.13702	5.2
405.18652	0.4
421.13669	0.3
467.18912	7.4
467.25369	0.5
467.37421	0.4
467.83255	0.3
497.30905	4.2
525.40674	0.4
629.24182	6.6
659.36200	3.8
723.43103	1.4
885.48151	100.0
886.48254	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	884.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63518	0.4
65.03912	0.9
67.05508	49.3
67.06010	1.7
69.03370	1.7
69.03706	0.4
69.07072	7.1
69.17899	0.9
69.18300	3.4
69.43524	0.4
71.04996	13.6
71.08634	16.0
73.02923	2.3
79.05499	6.7
81.03367	1.7
81.07059	18.9
83.04924	1.5
83.08622	9.9
83.09078	0.4
85.02910	8.3
85.06554	2.2
85.10187	9.4
86.90625	0.4
87.04439	0.5
91.03959	5.2
91.05490	7.3
93.07047	7.7
95.04949	1.0
95.08610	19.2
97.02899	5.3
97.06461	1.6
97.10165	3.8
99.04420	0.7
99.08069	0.7
105.06972	0.8
107.08613	3.7
109.02858	0.8
109.03601	0.4
109.10162	51.3
111.08030	1.6
111.11665	0.9
117.06966	1.2
119.08588	7.5
121.10139	2.4
123.11721	3.4
125.09619	0.6
127.03852	1.8
131.08507	0.7
131.13663	0.4
133.10094	0.9
135.11699	5.6
137.09630	7.7
137.13223	1.0
145.04973	2.5
145.10156	2.2
146.09592	0.9
151.14740	0.7
155.10687	2.7
155.11687	0.5
163.06024	2.5
163.11211	2.2
169.12204	1.1
173.11757	8.1
181.12181	1.7
187.13254	0.7
199.13155	0.7
213.61945	0.5
229.14410	0.8
237.14734	0.6
239.23631	2.4
243.15877	0.9
255.15938	3.8
269.17346	0.6
287.18542	16.0
287.21786	0.8
288.18939	0.5
304.09454	0.7
313.27374	15.9
314.27325	0.4
335.25815	0.6
341.27008	0.6
431.22800	0.8
441.24017	0.5
467.37354	76.3
468.37930	2.7
481.38904	3.4
493.38852	4.9
507.40497	0.6
525.41541	100.0
526.41724	4.2
587.47205	0.4
611.42535	0.6
669.45947	0.9
714.94800	0.5
816.01306	0.5
911.98804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.7
67.05508	15.8
69.03429	2.8
69.07072	6.6
69.26343	4.2
71.04965	2.0
71.08636	17.8
73.02920	2.7
79.05494	10.8
79.32619	0.5
81.03423	28.6
81.07060	21.1
83.04986	6.6
83.08627	14.2
83.83872	0.5
85.02911	18.1
85.06535	0.6
85.10188	10.0
87.04444	0.7
89.05997	1.4
91.03477	0.5
91.03955	4.6
91.05486	14.4
93.07049	7.2
95.04404	0.8
95.04972	11.1
95.08611	15.6
97.02316	0.4
97.02893	6.1
97.06496	1.8
97.10167	5.3
99.08052	0.5
99.11686	0.9
105.07043	10.0
107.04965	3.5
107.08604	3.7
109.06519	2.1
109.10152	7.2
111.04394	1.4
111.08078	4.2
111.11704	1.1
113.05959	1.2
115.05428	1.0
117.06982	0.7
119.07814	0.8
119.08582	8.4
121.06493	0.5
121.09467	0.4
121.10154	4.7
123.07996	1.3
123.11729	2.5
125.09589	0.5
127.03872	1.4
129.07016	5.1
131.08575	5.7
133.06496	1.2
133.10132	5.7
135.11617	0.6
137.13216	1.0
142.07745	1.7
145.04959	2.3
145.10114	1.1
147.08031	1.1
147.11702	7.2
149.09625	3.3
157.10138	6.5
163.06061	2.1
165.12706	1.5
175.11198	6.7
184.07370	1.4
193.12271	19.5
211.13300	26.1
239.23674	2.2
257.24744	1.5
267.15942	13.7
285.16980	35.3
286.17145	0.6
313.27377	72.2
314.27676	1.8
365.43008	0.5
505.38879	18.1
506.39334	0.6
523.39972	100.0
524.40308	4.2
664.94110	0.6
667.44348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04825	0.6
67.05510	15.3
69.03416	3.4
69.07077	7.3
70.00418	1.3
70.00804	1.4
71.04993	1.8
71.08638	14.3
73.02924	2.6
75.30117	0.6
77.33152	0.6
79.05494	8.9
81.03423	31.4
81.06593	1.1
81.07065	18.0
83.04977	6.6
83.08621	15.1
85.02911	18.7
85.06553	1.1
85.10189	8.1
89.06044	1.3
91.03957	5.8
91.05478	13.9
93.07054	8.2
95.04974	12.3
95.08613	13.9
97.02901	6.2
97.06525	1.3
97.10152	4.6
99.04448	1.3
103.07556	0.7
105.07043	10.2
107.04961	3.2
107.08603	3.0
109.06535	2.4
109.10150	6.5
111.08099	4.4
117.07007	0.8
119.08596	8.3
121.10149	4.0
123.08084	0.8
123.11723	2.4
127.03932	2.1
129.07014	5.6
131.08568	6.2
133.06474	1.4
133.10135	6.8
137.13319	1.2
142.07751	1.2
145.05005	2.6
145.10150	0.8
146.09618	0.7
147.08073	1.1
147.11710	8.3
149.09653	2.9
157.10147	8.0
163.06036	2.7
165.12756	1.7
165.14116	0.7
169.51158	0.6
175.11189	7.4
193.12257	26.8
194.12529	0.9
196.92825	0.6
210.25517	0.6
211.13301	41.0
239.23726	1.4
244.07503	0.7
249.14951	0.9
267.15927	15.5
285.16989	60.6
286.17361	1.5
300.99719	0.7
313.27383	59.5
314.27753	1.5
384.15765	0.7
434.35376	0.6
505.38965	13.5
506.39020	0.9
523.39996	100.0
524.40381	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	881.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01559	0.8
65.03941	4.1
67.05507	31.7
68.99792	0.9
69.03432	2.2
69.07071	6.8
69.41902	1.3
69.42307	5.4
69.62179	1.0
71.04991	0.9
77.02424	0.9
79.05495	27.0
81.03407	4.7
81.07058	22.6
83.04990	7.4
83.08613	3.9
91.05480	22.2
93.03390	1.4
93.07047	24.0
95.04968	9.4
95.08597	15.3
95.73627	0.8
96.78218	0.8
97.06554	2.1
97.10195	1.7
103.05494	1.4
105.04509	1.5
105.07032	13.2
106.52317	1.0
107.04959	2.1
107.08596	11.3
109.06547	1.8
109.10155	6.1
111.04459	4.2
115.05456	5.5
117.07022	5.2
118.39304	0.8
119.08595	6.7
121.02863	3.2
121.06518	0.9
121.10151	9.4
123.04427	1.9
123.08049	1.4
123.11700	1.5
125.00025	1.2
128.06198	0.9
129.05453	1.4
129.07001	3.4
131.04898	1.8
131.08586	7.6
133.06458	2.0
133.10138	5.4
135.04494	1.1
135.11694	4.6
139.03929	1.6
141.06960	3.1
143.04967	2.4
143.08551	1.5
145.06511	2.0
145.10146	5.1
147.04443	1.7
147.11646	4.3
149.05991	1.5
149.09627	1.1
149.12199	0.9
149.13312	2.2
153.06958	4.3
155.04932	2.0
155.06087	0.9
155.08566	1.7
157.05052	0.9
157.06433	2.1
157.10164	1.2
159.08067	1.1
159.11682	2.6
161.05981	13.2
161.13271	1.4
163.03909	7.2
163.11156	1.0
163.14819	0.9
165.05592	1.0
165.07060	2.2
167.04958	1.2
167.08577	3.1
169.06540	3.6
171.04439	1.7
171.08032	1.9
173.05984	69.1
173.13309	2.3
174.06474	1.2
175.03899	2.7
175.07591	1.6
175.14896	1.1
177.05539	1.1
179.08548	1.2
181.06483	6.6
183.08063	2.3
184.07367	1.5
185.06010	6.0
187.03946	3.5
187.07550	13.3
189.05487	6.2
195.08095	4.1
197.06000	8.3
198.06679	1.7
199.03909	2.1
199.07550	20.4
200.04704	1.5
201.05472	30.5
201.09146	2.4
203.14172	1.1
207.08125	1.9
209.06151	1.2
210.06766	1.8
211.07559	8.4
213.05504	16.1
213.09109	7.9
214.06137	1.4
215.03363	1.3
215.07018	6.5
217.04965	100.0
218.05280	2.1
219.08174	1.2
219.11658	1.4
221.06073	1.2
223.07578	3.6
225.05476	6.6
225.09158	3.5
227.07056	10.7
229.04968	8.8
231.06470	1.5
237.09198	2.5
239.06967	4.5
239.10646	2.1
241.05042	1.8
241.08640	2.8
243.06657	2.6
249.09161	1.8
249.12872	1.7
251.10582	1.4
253.08533	2.2
253.12566	1.3
255.13676	1.4
257.15335	1.1
259.20627	1.9
261.22232	5.7
265.12292	3.5
267.10251	1.1
267.13742	5.8
273.12741	1.1
275.10724	1.2
277.12268	1.4
279.13690	1.0
281.15332	3.0
283.13278	3.6
285.14917	3.6
291.13812	2.4
293.11740	1.3
295.13318	1.7
299.16397	1.4
309.14850	5.0
311.12811	19.5
311.16190	2.0
313.14374	9.4
319.13330	2.9
327.15927	6.1
329.13840	76.7
330.14166	2.4
335.25827	11.8
337.14337	15.1
337.18176	1.3
337.57214	0.9
345.16974	1.8
347.14874	2.2
355.15414	32.7
357.16788	1.5
363.25308	2.2
373.16418	6.5
381.20154	1.0
385.16455	45.5
387.18533	1.7
403.17572	6.0
411.17911	4.2
421.16473	1.6
429.19086	15.4
435.27374	1.1
439.17462	2.0
447.19785	1.2
467.17856	1.4
485.17828	4.4
529.20758	1.9
559.21948	1.6
571.33856	1.7
603.24408	2.1
645.37738	4.6
661.40479	1.4
663.38879	9.4
671.39148	2.1
689.40411	14.3
707.41815	4.4
837.44293	2.1
863.45203	2.2
881.47064	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	881.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.6
67.05507	42.9
69.03416	3.1
69.07075	9.7
71.01333	1.1
71.04986	2.5
71.49586	1.5
77.03903	1.2
79.05495	43.7
81.03425	10.9
81.07061	35.0
83.04982	8.9
83.08616	4.5
85.06522	1.5
91.05488	36.0
92.42133	1.1
93.03441	2.1
93.07049	36.3
94.36233	1.2
95.04972	10.5
95.08613	23.7
97.06532	3.0
97.10162	2.9
103.05442	1.2
105.04482	2.0
105.07038	23.0
107.04963	3.3
107.08595	15.9
109.06540	2.3
109.10159	9.7
111.04449	6.9
111.08048	1.7
113.09676	1.1
115.05463	4.8
117.07021	7.8
119.04888	1.6
119.08580	13.0
121.02840	6.1
121.10155	13.3
123.04430	3.2
123.08063	1.8
123.11713	2.6
125.09606	1.5
128.06200	1.2
129.07040	5.4
131.04932	2.9
131.08589	8.6
133.06503	2.7
133.10139	8.0
135.04427	2.6
135.08064	1.5
135.11690	5.7
137.05952	1.3
137.13306	1.3
139.03893	3.2
139.05446	1.7
141.06987	4.9
143.04906	3.4
143.08519	2.6
145.02869	1.6
145.06465	2.3
145.10135	5.5
147.04413	3.9
147.08044	1.2
147.11702	7.8
149.06007	2.8
149.09634	2.4
149.13237	3.3
149.15671	1.0
153.07039	7.3
155.04903	3.1
155.08543	2.9
157.05092	1.7
157.06459	4.6
157.10089	2.1
159.04434	3.1
159.11690	3.0
161.05997	15.0
161.13200	2.3
163.03923	18.3
163.11151	2.5
165.05553	1.6
165.06947	2.6
167.04956	1.3
167.08597	3.6
169.06456	5.1
171.08060	2.4
171.11691	1.2
173.02345	4.0
173.05991	81.3
173.13278	3.6
174.06474	1.4
175.03900	4.3
175.07596	2.6
175.11192	1.3
177.05498	2.4
179.08537	2.6
181.06477	10.7
181.10034	1.5
183.08073	2.2
184.05103	1.2
185.06003	7.6
187.03932	6.3
187.07556	20.4
189.05479	7.5
191.08658	1.2
193.06494	1.5
193.12181	2.6
195.06465	1.8
195.08102	4.7
197.05962	12.1
197.09682	1.5
198.06706	3.3
199.03909	4.8
199.07556	24.9
200.04715	1.4
201.05476	33.9
201.09100	2.9
203.06967	2.1
207.08025	2.9
209.06059	1.1
209.09647	1.8
210.06761	1.6
211.07555	9.9
212.08163	1.4
213.05481	23.3
213.09081	12.0
214.06258	1.4
215.03401	1.7
215.06992	9.6
217.04965	100.0
218.05148	2.1
221.13232	1.3
223.07579	3.5
223.11172	1.2
225.05511	8.4
225.09010	5.4
226.06319	2.6
227.07016	16.9
227.10596	2.4
229.04991	10.3
229.08411	1.3
231.06529	2.5
235.07610	1.5
237.09117	3.1
239.07011	4.1
239.10643	1.6
241.04964	2.3
241.08588	3.5
241.12173	2.3
243.06502	4.0
243.21123	2.4
249.08997	1.8
249.12727	2.9
250.09854	2.4
251.10628	2.1
253.08687	1.4
253.12184	1.6
255.06433	1.4
257.08020	1.5
261.22168	6.9
265.12268	5.3
267.13815	13.5
273.12564	1.7
281.15424	4.9
283.13205	4.2
285.14859	5.2
287.23718	1.3
291.13708	5.0
293.11691	4.0
293.14905	1.3
295.13239	3.1
299.16452	2.2
309.14908	9.1
311.12839	25.3
311.16251	3.9
313.14362	9.7
317.24594	1.7
319.13229	3.2
323.16528	1.2
327.15942	10.5
329.13852	87.0
330.14145	2.3
331.15988	1.1
333.24435	1.5
335.25769	15.9
337.14328	18.7
355.15430	53.8
356.15817	1.6
357.16852	2.4
363.25232	1.8
373.16492	10.2
385.16464	54.4
387.17783	2.1
403.17545	7.0
411.17932	4.7
417.26486	1.7
421.16315	1.6
429.19156	23.5
447.20181	2.5
467.17117	2.6
485.17883	4.1
529.20349	2.2
541.20190	2.1
547.21722	1.1
567.22083	1.5
571.33978	1.8
576.80609	1.1
585.23474	1.2
603.24445	3.2
645.37738	3.7
661.40533	2.9
663.38947	12.3
665.85590	1.4
671.38745	2.3
689.40417	16.9
707.41840	5.1
837.44366	2.5
863.46008	1.9
881.47150	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	881.469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	4.7
67.05518	31.6
69.03426	2.5
69.06745	0.7
69.07082	10.7
71.04977	2.2
79.05505	34.4
81.03437	5.3
81.07072	26.8
83.05000	7.5
83.08638	4.9
85.02894	1.3
85.06548	1.4
85.33797	0.8
91.04917	0.8
91.05497	25.5
93.03410	1.8
93.07057	31.6
95.04990	10.1
95.08620	21.4
97.02886	1.0
97.06522	2.0
97.10179	2.6
98.21528	3.2
102.80447	0.8
103.05447	1.6
105.04511	2.5
105.07050	14.7
107.04942	2.3
107.08602	11.6
109.06525	1.2
109.10175	8.6
111.04463	5.5
111.08143	0.8
115.05453	4.5
117.03413	0.9
117.07044	6.0
119.08590	9.1
121.02879	5.1
121.10162	9.7
123.04433	3.3
123.08106	1.6
123.11737	2.2
127.05438	1.2
128.06203	1.1
129.05493	1.0
129.07030	5.6
131.04993	1.7
131.08600	7.8
133.06471	2.0
133.10143	7.6
135.04422	1.6
135.11723	5.9
139.03926	3.4
139.05452	1.6
141.07036	4.1
143.04945	1.8
143.08574	2.1
145.06494	2.7
145.10121	4.9
147.04408	2.5
147.08116	0.8
147.11707	3.7
149.05975	2.7
149.09660	1.0
149.13310	2.5
151.11232	0.8
152.06270	1.4
153.07010	5.2
155.04935	1.9
155.08572	1.0
157.05080	1.3
157.06526	2.4
157.10143	2.8
159.11691	3.2
161.06004	14.3
161.13277	1.4
163.03946	9.0
163.11131	1.2
165.05510	1.6
165.07024	2.2
167.04919	1.3
167.08577	3.0
169.06502	3.6
169.10182	1.0
171.04424	1.4
171.08054	1.6
171.11754	0.8
173.06012	90.8
173.13268	2.3
174.06422	1.6
175.03905	2.5
175.07584	2.9
175.11079	0.8
177.05489	2.1
179.08560	1.7
181.06467	7.3
181.10126	0.8
183.04451	1.4
183.08041	2.1
185.05998	7.0
185.09702	0.9
185.13219	0.9
187.03958	4.0
187.07564	15.5
187.14833	1.3
189.05460	6.7
193.06505	1.2
193.10309	0.8
193.12241	2.0
195.08136	5.5
197.05995	10.0
198.06682	1.4
199.03903	2.1
199.07581	24.5
200.04654	0.9
201.05490	34.1
201.09183	2.0
202.05861	1.3
203.03310	0.8
203.07074	2.1
207.08110	2.1
209.06015	1.3
209.09627	1.4
210.06760	1.7
211.04039	1.1
211.07561	11.0
212.08360	1.1
213.05519	15.6
213.09120	11.7
214.06038	1.3
215.03583	1.0
215.07074	7.8
217.04996	100.0
218.05290	1.9
219.07935	0.8
221.09671	1.6
223.07478	3.6
224.08264	0.9
225.05466	7.4
225.09084	5.5
226.06308	1.8
227.07054	14.6
227.10640	1.4
229.04980	12.0
229.08583	1.3
231.06575	2.3
235.07483	1.3
237.09041	1.9
239.07037	4.6
239.10808	2.1
241.05002	1.4
241.08618	3.2
241.12276	2.2
241.19702	0.8
243.06561	4.0
243.21129	1.1
247.11229	1.1
249.09236	2.4
249.12843	1.8
251.07031	1.0
251.10739	1.6
253.08653	1.9
253.12244	0.9
255.06502	1.0
255.13893	1.7
257.08035	0.9
259.20673	1.7
261.22205	5.5
263.14407	1.3
265.12277	6.2
267.13818	9.2
273.07614	0.8
275.10727	1.3
277.12311	1.0
281.15399	2.9
283.13333	6.2
285.14868	4.2
287.23807	1.0
291.13858	2.8
293.11713	2.7
295.13348	2.5
299.16263	1.1
301.12195	1.1
301.34671	0.8
309.14969	4.3
311.12839	25.4
311.16229	1.5
313.14362	14.3
317.24844	1.0
319.13339	1.7
323.16406	0.8
325.21347	0.8
327.15927	10.3
329.13876	87.8
330.14172	2.0
333.24634	1.1
335.25839	14.0
337.14413	15.6
347.15042	2.1
355.15451	37.7
356.15396	0.8
357.17154	1.4
359.18335	0.9
363.25693	1.2
373.16507	9.0
385.16513	48.5
386.16837	1.7
387.18024	1.4
403.17551	9.0
411.18213	2.7
417.26416	1.6
421.16360	2.0
429.19223	19.8
430.19568	0.9
435.26859	1.2
439.17227	1.1
447.19974	1.5
467.16638	1.4
485.18130	5.6
491.30829	0.9
529.20758	2.6
541.21051	1.5
559.21942	2.4
571.33820	1.5
585.24512	1.0
597.35974	0.9
603.24280	2.2
645.37549	3.9
661.40985	2.0
663.39026	13.1
671.39124	2.2
689.40485	13.3
707.41711	4.8
776.35101	0.8
819.43036	1.8
837.43970	2.5
863.45947	2.3
881.47137	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	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.9
65.03941	1.2
67.05509	21.2
69.03430	4.0
69.07070	17.7
69.07392	0.5
69.39588	5.7
69.93518	0.7
71.04990	2.4
71.08619	1.5
73.02922	2.2
73.06573	0.8
79.05495	17.2
80.66656	0.6
81.03420	32.8
81.07058	24.9
83.04980	7.7
83.08627	20.8
85.02906	19.4
85.06523	1.6
85.10184	1.8
91.03962	5.2
91.05483	15.9
93.07044	16.8
95.04974	12.1
95.08609	13.9
97.02918	7.1
97.06539	3.3
97.10181	8.5
98.20797	1.3
98.21457	1.5
99.04430	1.0
99.08093	1.2
105.04523	1.1
105.07042	13.4
107.04965	3.5
107.08603	6.7
109.06492	3.9
109.10139	4.7
111.04472	1.7
111.08084	7.3
111.11768	1.0
113.06012	1.0
117.07020	0.8
119.08595	11.5
119.09395	1.2
121.06527	1.3
121.10151	11.1
123.08090	1.8
123.11706	2.1
125.09618	1.2
127.03918	2.6
129.07007	6.9
131.08583	5.5
131.97440	0.7
133.06511	1.9
133.10138	5.6
135.11670	5.6
137.09641	0.8
137.13277	1.3
139.39980	0.7
142.07777	1.7
145.04996	1.7
145.10138	1.2
146.09618	0.9
147.08080	1.6
147.11708	7.3
149.09636	3.1
149.13258	2.0
150.95885	0.7
153.12744	0.7
157.10121	6.8
163.06029	3.0
163.11191	1.3
165.12773	2.2
167.83859	0.7
175.11217	7.0
184.07365	2.0
193.12262	23.4
211.13293	42.4
219.21191	0.7
237.22186	2.3
248.23564	0.7
257.55325	0.8
267.15927	16.8
267.18591	1.0
276.10068	1.5
283.15460	0.9
285.16977	64.7
286.17389	2.0
311.25812	55.7
312.26093	1.3
313.27319	1.3
503.37262	13.3
521.38422	100.0
522.38525	3.2
539.04486	0.8
880.52307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	8.8
67.05514	9.2
69.03403	1.9
69.07071	5.9
70.98695	1.2
71.01344	0.8
71.04958	1.4
71.08636	13.4
73.02925	3.4
79.05095	0.5
79.05495	9.0
81.03430	6.4
81.07065	14.2
83.01347	4.5
83.04986	4.9
83.08627	10.2
85.02912	12.9
85.09744	0.6
85.10191	7.7
91.03428	0.6
91.03961	7.9
91.04964	0.6
91.05483	6.1
93.06493	0.8
93.07047	13.1
95.04939	2.3
95.08611	13.6
97.02908	7.0
97.06551	2.6
97.10183	2.6
99.04420	2.2
99.08064	0.7
103.07530	0.7
105.07023	4.4
107.04964	5.0
107.08591	7.4
109.02834	0.5
109.06502	3.3
109.10163	5.1
111.04420	1.8
111.08077	0.6
111.11720	0.8
115.03929	0.9
117.07019	3.3
119.08569	4.6
120.21868	0.5
121.06474	1.8
121.10133	4.1
123.08080	4.1
123.11687	1.7
125.05984	0.9
127.03925	2.8
129.06956	0.9
130.07738	1.1
131.08566	1.7
135.08018	1.0
135.11697	6.8
137.09572	0.7
137.13220	1.1
145.04939	3.4
145.06447	0.7
145.10124	9.2
147.08028	1.1
153.12723	1.7
155.08566	0.7
163.06029	4.2
163.11188	14.5
173.09615	1.5
181.12207	2.1
191.10683	1.2
209.11699	4.0
227.12817	1.8
239.23752	1.2
254.48138	0.5
257.24753	1.4
283.15414	100.0
284.15833	2.8
306.63907	0.6
313.27380	75.6
314.27789	2.4
341.34418	0.6
379.50644	0.5
521.38416	53.1
522.38531	2.5
528.03448	0.6
621.90302	0.5
634.16132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.4
65.03915	0.7
67.05509	11.1
67.05841	0.5
69.03389	1.6
69.07075	6.2
70.01102	1.4
71.01343	0.6
71.04967	1.7
71.08634	17.4
73.02932	2.8
76.44540	0.4
77.03909	0.4
78.35151	0.4
79.05496	10.9
81.03413	6.0
81.07064	17.1
83.01347	3.8
83.04988	6.1
83.08622	11.4
85.02907	10.6
85.06510	1.0
85.10187	10.9
89.06001	0.8
91.03961	6.0
91.05492	7.2
93.07050	13.2
95.04975	3.7
95.08609	18.1
97.02895	6.7
97.06533	2.5
97.10183	4.3
99.04475	2.2
99.08070	0.5
99.11749	0.6
103.07556	0.9
105.07036	5.0
107.04945	3.5
107.08591	7.6
109.02883	0.8
109.06517	3.1
109.09499	0.4
109.10162	6.3
111.04416	1.0
111.08031	1.1
111.11704	0.8
114.30413	0.4
115.45794	0.5
117.06382	0.4
117.07024	4.7
119.08598	4.9
121.06512	2.3
121.10161	5.0
123.08074	4.6
123.11671	1.8
125.06004	0.8
125.09602	0.7
127.03931	2.2
129.06958	1.0
130.07750	0.6
131.08527	1.4
133.10118	0.9
133.52431	0.4
135.08043	1.2
135.11702	10.9
137.09630	0.5
137.13219	0.9
139.07523	0.5
145.04979	3.0
145.09061	0.7
145.10127	10.5
147.08002	0.9
151.55956	0.4
153.03351	0.5
153.12711	1.0
155.08490	0.9
155.49759	0.4
161.09630	0.4
163.05984	4.3
163.11192	18.0
173.09601	1.9
181.12274	3.0
187.62222	0.4
191.10631	1.5
209.11700	4.5
227.12798	8.7
239.23737	2.0
257.24753	1.8
283.15408	91.2
284.15817	1.9
291.19513	0.6
310.43167	0.5
313.27377	100.0
314.27744	2.5
409.69632	0.5
442.45963	0.5
521.38422	99.4
522.38757	4.1
672.85034	0.4
830.14221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	9.5
67.05506	68.3
69.03434	5.3
69.07070	17.5
71.04994	4.1
71.49113	3.7
79.05502	50.3
79.05932	6.1
81.03416	12.0
81.07069	56.8
83.04989	14.9
83.08611	14.1
85.02892	4.6
85.06534	3.3
91.05486	71.4
93.03391	5.1
93.07043	48.3
95.04963	15.2
95.08610	38.4
97.02882	6.1
97.06503	6.7
97.10157	7.8
103.05455	5.5
105.04534	4.8
105.07036	60.1
107.04968	9.1
107.08590	27.2
109.06562	4.6
109.10142	9.3
111.04436	11.1
115.05448	12.0
116.06244	4.0
117.07044	33.0
119.08582	42.0
121.02892	7.9
121.10149	14.2
123.04441	14.8
123.08113	6.9
125.09657	7.5
128.06245	6.7
129.07027	23.7
131.04990	4.6
131.08582	38.6
133.06523	4.9
133.10127	29.8
135.04395	4.3
135.08044	4.0
135.11676	10.5
139.03926	4.8
141.07028	12.6
143.08563	20.8
145.06523	6.1
145.10124	36.9
147.04434	6.4
147.08052	3.9
147.11708	21.1
149.05968	7.0
149.13257	5.3
153.06990	10.1
155.08580	11.2
157.06441	7.4
157.10158	21.8
159.08084	4.1
159.11682	16.8
161.05989	26.1
161.13298	7.0
163.03889	20.5
163.11183	4.2
163.14828	4.1
165.07001	8.9
167.08580	9.7
169.06500	7.7
169.10150	10.4
171.08012	4.7
171.11691	15.6
173.05983	92.8
173.09464	3.3
173.13246	17.2
175.03870	6.9
175.07527	9.9
175.14780	4.3
177.05585	4.0
181.06502	16.0
181.10114	6.1
183.08069	4.6
183.10236	3.2
183.11659	7.4
184.07307	5.8
185.05962	9.7
185.13226	6.8
187.07558	31.9
187.14844	10.7
189.05515	10.2
191.08592	5.6
193.10071	4.8
193.12155	2.9
195.08057	5.5
195.11713	5.2
197.06000	18.8
197.09473	3.9
197.13190	4.5
199.04045	3.6
199.07535	29.0
199.14786	6.2
201.05446	23.6
201.09091	8.2
203.08650	7.1
205.10188	3.5
207.08002	8.0
209.09633	7.2
209.13312	3.9
211.07550	22.2
211.15073	3.1
213.05510	23.4
213.09143	16.5
215.07071	7.3
215.24219	3.0
217.04967	100.0
219.08099	4.3
219.11592	4.1
221.09645	4.8
223.07559	9.0
225.05501	12.0
225.09157	14.5
227.06985	18.3
227.10661	5.6
229.04871	7.5
231.08124	4.6
235.07579	6.6
235.11125	4.3
237.09071	7.7
239.06993	7.6
239.10773	6.8
241.04977	5.1
241.12317	6.3
241.19478	9.3
247.07550	5.7
248.08238	5.2
249.09036	13.2
251.10641	8.7
253.08549	5.0
253.12480	5.1
257.09650	5.1
257.19022	5.2
259.20612	21.0
261.09201	8.6
262.10211	3.8
263.10648	6.3
263.14450	3.8
265.12222	7.9
267.13855	11.3
267.21304	3.4
273.09180	3.8
273.12488	4.7
275.10541	5.2
277.12128	6.7
279.10236	3.8
281.15405	5.3
285.14954	3.6
285.22226	24.1
287.10687	5.9
289.12357	6.0
291.10165	4.5
291.13712	8.6
305.15536	4.5
309.14981	5.5
311.12817	18.3
311.20093	4.5
313.14307	12.8
315.23175	6.9
319.13165	3.9
327.15906	10.1
329.13831	73.6
333.24323	4.9
337.14297	19.2
355.15363	31.0
373.16788	8.6
375.43875	3.2
385.16467	32.2
387.18906	6.4
403.18018	5.4
411.18048	4.0
429.19070	13.3
494.35434	3.3
549.32971	3.5
567.34943	17.0
569.32672	3.1
577.32806	6.7
585.35889	10.3
587.34393	5.0
595.33936	12.5
613.34753	11.0
628.70923	3.7
641.38440	8.8
643.36267	5.4
651.37067	4.4
659.39374	52.7
661.38513	4.4
669.38165	29.3
687.38898	98.0
688.39441	7.8
705.39923	15.9
787.41260	4.0
861.43414	11.2
879.45544	55.1
880.46539	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	878.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.9
65.03935	1.2
67.05508	19.9
69.03426	0.6
69.07070	7.6
71.04975	1.1
71.08633	14.0
73.02902	1.0
73.06537	0.6
77.03914	0.6
79.05497	28.5
81.03438	3.2
81.07058	22.0
83.04986	6.4
83.08632	6.5
85.02908	3.5
85.06575	1.1
85.10193	7.9
91.03957	2.1
91.05484	23.4
93.07047	26.8
95.04967	6.8
95.08608	19.0
97.02913	1.9
97.06539	1.5
97.10164	4.0
103.05448	0.6
103.07594	1.1
105.04529	1.4
105.07033	15.6
107.04957	3.2
107.08601	7.5
109.06521	1.9
109.10159	5.9
111.08057	0.8
115.05447	0.6
117.07015	4.0
119.08578	10.5
119.09371	0.9
121.06507	1.0
121.10162	1.8
123.08107	2.5
123.11704	1.2
127.03965	0.8
127.07611	0.9
128.06236	1.0
129.07010	7.2
131.08559	0.8
133.10147	3.7
135.08243	0.5
135.11728	0.7
137.13268	0.8
141.58948	0.6
143.08569	4.4
145.04947	0.7
145.10144	3.5
147.08051	1.4
147.11691	16.5
161.09650	2.2
161.13245	4.9
171.11685	11.5
189.12749	4.5
207.13805	15.8
229.45226	0.6
239.23721	1.1
257.24725	1.3
281.17477	47.3
282.17923	0.8
299.37643	0.5
313.27362	42.3
314.27734	1.5
453.20395	0.5
519.40472	100.0
520.40918	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	874.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34603	2.2
67.05511	90.0
67.05876	4.3
69.03426	3.0
69.07072	40.4
69.56229	2.2
70.29619	5.0
70.30009	5.2
71.04991	8.5
73.02924	3.1
79.05498	63.5
81.03434	12.7
81.07062	100.0
82.07433	2.6
83.04983	9.2
83.08623	20.3
85.02898	4.5
85.06538	7.2
86.09711	32.3
91.05482	56.1
93.07046	67.6
95.04995	13.6
95.08607	33.6
97.06532	17.0
97.10186	12.8
98.98474	3.8
99.08045	2.6
100.20464	2.1
104.10774	3.8
105.07042	41.4
107.04960	11.7
107.08602	47.8
109.06481	12.4
109.10160	31.4
111.08080	7.5
117.07010	21.9
119.08587	34.0
121.06525	6.7
121.10138	20.4
123.08060	6.2
123.11723	4.4
124.99998	22.0
125.09638	7.5
127.03923	4.0
129.05614	2.3
129.07004	9.8
131.08574	24.6
133.06494	3.8
133.10141	26.1
135.08058	6.4
135.11687	21.3
135.99220	2.3
137.09615	3.1
139.11122	2.6
141.07053	3.2
143.08554	6.7
145.10135	22.1
147.07991	2.4
147.11720	16.0
149.09627	13.2
149.13254	16.7
151.11145	2.9
151.71361	2.0
155.08617	5.3
157.10106	8.9
159.08057	2.8
159.11687	15.9
161.04604	1.9
161.09595	2.7
161.13304	6.9
163.11189	9.6
165.12746	5.0
167.08670	2.8
169.10071	4.8
171.11749	7.0
173.04477	4.3
173.11858	3.0
173.13309	7.0
175.01498	3.0
175.11218	3.2
177.12764	5.8
179.14247	3.1
181.12323	2.0
183.11606	5.8
184.07359	80.6
185.13373	2.8
187.13335	2.4
193.12186	3.3
195.13788	5.0
197.13252	3.9
201.16391	2.5
207.11896	2.1
227.12817	11.5
229.14317	14.4
229.19447	3.8
239.18030	3.6
247.20682	5.1
251.16455	2.9
255.16002	6.0
257.19110	10.8
269.17484	36.1
275.20093	55.8
276.20566	3.0
293.21164	8.0
299.33221	2.3
331.12997	3.6
331.22479	2.8
349.23782	49.8
367.24875	12.9
409.25641	4.4
423.27438	16.7
445.29303	3.5
449.29111	17.4
463.30630	37.6
503.33585	9.7
525.35785	7.9
529.35065	8.5
543.36951	48.0
547.36731	4.5
561.37946	18.5
623.42957	11.4
641.44098	12.4
852.69354	2.9
874.52448	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	873.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.1
65.03960	1.4
66.88993	0.8
67.05505	3.3
69.03426	12.6
70.80524	1.8
70.80878	0.8
71.01347	1.0
71.04990	1.9
73.02911	1.5
77.03942	2.4
79.05502	8.1
81.03416	11.4
81.07069	3.4
83.04987	0.9
85.02908	8.5
91.05485	5.9
92.67078	0.9
93.07071	5.0
95.04969	67.0
97.02916	22.0
99.04448	1.0
102.90136	0.8
103.03990	0.8
103.05468	8.9
104.46009	0.9
105.03386	1.6
105.04530	2.5
105.07037	3.4
106.06573	1.0
107.04961	33.3
108.05346	1.0
109.02871	17.5
109.06538	2.8
115.05506	2.2
117.05766	1.6
117.07039	1.6
119.04976	1.7
121.02899	1.0
121.06501	12.9
123.04430	15.0
125.02353	52.9
125.06027	3.3
127.03931	4.8
128.06248	1.2
129.07031	2.2
130.06535	9.6
131.04935	6.5
131.07339	1.5
132.08144	2.3
133.02901	2.1
133.06494	6.6
135.04410	5.0
143.07333	4.3
144.08089	65.0
145.04987	1.8
145.06529	1.0
145.08435	1.0
147.04408	1.5
149.05981	18.0
149.07129	1.1
151.03906	82.6
153.05498	5.9
154.06563	1.8
155.07335	4.8
156.08081	17.0
157.08879	3.8
158.06033	1.3
158.09634	8.2
159.04419	4.5
161.06012	1.8
163.03873	1.1
165.07083	1.2
167.07263	7.0
168.08090	15.4
169.08870	5.9
170.09642	14.5
171.09198	3.8
172.07620	0.8
175.03976	2.6
177.05472	19.7
177.06889	1.3
180.08084	13.3
181.08813	6.2
182.09691	7.7
186.09189	2.0
191.07211	1.1
192.08150	2.5
193.08928	2.4
194.09653	17.3
195.04779	1.8
195.06549	29.3
195.10481	2.5
196.11316	2.6
197.08540	0.8
198.09175	0.8
200.10622	0.9
204.08127	4.6
205.08907	2.9
206.09709	6.2
207.10463	1.7
208.07660	3.6
208.11211	1.9
210.09158	3.9
212.10770	1.7
213.07649	3.1
217.08971	2.0
218.09741	2.7
219.10452	2.0
220.07730	1.0
220.11281	2.1
222.09128	21.8
222.12698	1.1
223.09972	8.2
223.12401	2.7
224.07181	3.4
224.10724	4.2
225.11546	1.1
230.09663	1.7
231.10532	2.5
232.07597	1.0
232.11304	2.5
233.08409	1.1
234.09239	2.4
234.12915	1.4
236.07019	1.5
238.08603	7.0
240.10158	1.1
243.10576	0.8
244.11200	1.7
246.09212	1.3
246.12846	2.9
247.10028	1.3
249.13995	1.3
250.08659	13.7
250.11613	0.8
250.12418	0.9
251.09406	13.9
251.11780	1.1
252.10162	1.6
259.10138	1.6
260.10779	1.6
262.12366	3.0
264.13974	3.1
267.08902	1.0
267.11172	5.5
268.09644	8.0
269.10413	3.9
274.12415	2.6
275.71487	0.9
276.13974	3.1
280.13309	1.4
282.14966	1.0
284.10767	1.5
285.12411	3.1
290.11908	3.4
292.13425	1.2
293.16550	2.3
300.10519	1.0
302.11722	3.8
308.12881	7.7
311.17603	1.2
319.14514	2.4
320.12762	11.6
321.09772	1.1
326.13907	9.0
337.15393	9.6
337.18671	0.8
338.13876	15.1
339.10703	1.8
353.18613	1.1
355.16483	7.5
357.11862	1.8
402.08301	0.9
434.16559	0.9
455.95358	0.8
482.18121	1.1
488.19189	1.9
500.19089	6.6
624.20752	3.9
641.23370	8.6
676.23981	2.2
682.25018	1.3
694.24817	7.4
711.27130	3.9
844.30157	6.6
856.13684	1.7
856.30237	34.7
857.30743	2.6
873.32886	100.0
874.32996	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	873.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41473	0.8
62.07094	0.8
65.03959	1.5
67.05515	4.0
69.03431	12.4
71.01374	1.4
71.05001	2.7
71.48978	1.7
71.91294	0.9
72.96507	0.9
73.02937	2.0
77.01160	0.9
77.03941	1.1
79.05498	9.5
81.03419	13.3
81.07082	1.3
83.01364	1.5
83.04969	0.9
83.57314	0.9
85.02913	11.2
87.04455	1.5
91.05478	8.3
91.85239	0.8
93.07043	4.8
95.04970	63.7
97.02915	25.3
99.04473	2.0
103.05477	8.5
105.03498	0.9
105.04557	3.5
105.07055	3.6
106.06597	1.4
107.04958	39.8
109.02885	22.5
109.06553	1.8
111.04573	1.1
115.03929	1.1
115.05444	1.2
117.07005	1.7
119.04955	1.4
121.02972	1.1
121.06519	12.9
123.04425	15.3
125.02357	61.0
125.05960	4.5
127.03903	5.3
129.06999	4.6
130.06538	10.8
131.04944	8.1
131.07292	1.3
132.08127	2.3
133.02888	3.0
133.06496	8.5
135.04442	5.1
139.03943	1.5
143.03400	1.0
143.07365	5.7
143.08459	1.6
144.08090	71.7
145.05003	1.3
145.06528	1.0
147.04459	1.6
149.05997	21.1
149.07146	1.8
151.03905	95.3
153.05452	8.0
154.06599	2.0
155.07356	4.2
156.08090	17.9
157.08929	3.0
158.09624	7.7
159.04440	6.5
163.04002	2.0
167.07298	8.0
168.08098	17.5
169.08881	6.2
170.09668	16.8
171.09242	3.8
172.07677	0.9
175.03947	1.8
177.05481	21.9
180.08090	13.2
181.08856	7.3
182.09633	9.8
184.07541	1.0
186.09216	1.4
191.07298	1.5
192.08167	2.3
193.08907	4.0
194.09653	19.7
195.06538	30.0
195.08205	1.8
195.10417	2.7
196.07600	1.4
196.11253	3.4
198.09195	1.6
204.08136	5.8
205.08864	4.4
206.09697	7.4
207.10521	1.2
208.07649	4.2
209.08192	1.4
210.09143	4.7
213.07532	4.4
217.08861	1.7
218.09695	2.9
219.10472	2.3
220.07680	2.0
220.11310	3.1
221.08508	1.2
222.09161	23.9
222.12891	2.5
223.10004	10.1
223.12392	3.0
224.07155	4.1
224.10710	5.5
225.11459	2.1
230.09755	2.4
231.10535	3.9
232.11330	3.2
233.08275	1.5
234.09230	3.3
234.12929	2.2
236.07219	1.2
238.08658	7.7
240.10196	1.6
244.11240	1.4
246.12907	3.3
247.09831	1.5
248.10681	1.4
249.14035	2.1
250.08644	13.3
250.12416	1.3
251.09398	15.8
252.10207	2.5
256.11569	1.3
258.09256	1.2
259.10217	1.1
260.10681	1.7
262.12387	2.6
264.13867	4.9
267.11243	6.6
268.09647	10.0
269.10455	4.7
272.10669	1.7
274.12280	5.6
276.13889	3.2
282.15125	2.9
284.10846	1.6
285.12491	4.2
290.11780	4.6
292.13394	1.9
293.16565	2.0
294.15125	1.8
302.11850	6.4
308.12842	9.3
319.14728	1.9
320.12790	13.4
326.13965	9.4
337.15469	9.9
338.13846	17.1
338.17575	1.1
339.10873	2.9
355.16577	6.0
357.11945	3.3
488.19366	1.7
500.18979	9.3
526.20648	1.3
624.21008	4.6
641.23291	7.7
676.24731	2.1
693.26886	1.5
694.24976	7.5
711.28003	4.3
749.87390	1.0
834.89563	1.0
844.29993	7.3
856.30194	37.2
857.30389	2.1
873.32898	100.0
874.33240	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	872.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.4
65.03940	8.5
67.05508	100.0
69.03432	13.0
69.06740	3.1
69.07073	46.5
71.01339	4.6
71.04992	15.3
79.05497	74.2
81.03423	18.2
81.06593	4.6
81.07055	85.0
83.04974	10.7
83.08617	14.4
85.02890	7.7
85.06534	6.3
91.05479	76.6
93.07045	67.0
95.04968	19.7
95.08611	47.8
97.02873	7.4
97.06525	22.2
97.10184	13.6
99.04436	3.6
99.08049	3.2
103.05437	3.1
105.04494	3.1
105.07034	62.7
107.04944	8.8
107.08587	38.5
109.06492	11.5
109.10160	31.3
111.08068	7.2
113.09575	2.8
115.05462	3.9
115.07529	4.0
117.07004	24.8
119.08580	46.5
119.46725	2.5
121.06518	4.9
121.10114	23.9
123.08051	9.8
123.11705	5.2
125.09629	6.2
127.03893	2.9
128.06255	4.4
129.05457	2.6
129.07024	16.9
131.08571	31.9
133.10132	35.8
135.08049	3.6
135.11700	23.0
137.09581	8.2
141.06969	5.8
142.07759	3.0
143.08531	17.7
145.10120	32.7
147.08131	3.3
147.11691	23.1
149.09676	12.8
149.13203	13.5
151.11188	6.2
153.12733	2.6
155.08507	7.6
157.10130	12.3
159.11697	22.8
161.09564	3.5
161.13258	10.9
163.11186	7.9
163.14857	3.8
165.12762	3.4
166.57671	3.0
167.08549	3.6
169.10104	7.9
171.11670	10.2
173.11707	6.6
173.13237	12.5
175.14874	3.6
177.12779	7.4
179.14334	3.3
181.10097	6.2
181.11864	2.4
183.11659	12.5
184.07292	8.5
185.13231	10.7
187.14902	3.8
189.11192	4.5
195.11777	3.2
195.13814	6.8
197.13211	6.1
199.14815	4.3
209.13383	5.5
211.14857	4.5
213.16351	3.5
219.11839	2.9
221.13255	4.2
223.14961	2.8
227.12770	8.3
229.14308	17.8
241.19540	6.9
243.15948	3.0
255.15903	6.4
257.18936	7.3
259.20596	17.5
267.15948	5.1
267.93042	2.7
269.17496	11.9
273.18390	5.6
275.20114	29.6
291.19626	3.2
315.23355	3.0
319.71405	3.3
333.24225	15.9
349.23767	17.2
423.27383	3.8
427.28384	2.9
435.32861	4.1
487.34167	5.5
505.35031	8.3
509.35492	3.1
513.35266	6.7
527.37347	33.9
528.38171	3.9
543.36462	7.4
607.43201	14.7
623.42065	3.6
625.44025	10.1
629.42664	2.8
635.38092	3.1
671.41534	5.7
689.42126	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	872.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91315	2.2
61.02943	3.6
65.03935	3.9
67.05510	100.0
69.03419	11.2
69.07074	43.0
71.05003	13.3
71.48625	2.5
72.67666	2.3
77.03911	3.2
79.05497	75.2
81.03421	17.9
81.06597	4.9
81.07062	83.3
83.04996	13.8
83.08633	15.3
85.02888	9.0
85.06546	6.0
91.05486	74.5
93.07050	66.0
94.07394	3.2
95.04984	18.5
95.08616	44.8
97.02901	7.1
97.06539	26.3
97.10177	7.3
99.04440	3.0
99.08084	6.8
103.05457	4.0
105.07037	58.1
107.04951	11.1
107.08607	47.8
109.02860	2.5
109.06503	10.3
109.10174	35.9
111.08063	7.0
115.05418	3.6
115.07586	5.2
117.07039	25.1
119.07799	4.4
119.08586	48.2
121.06512	5.6
121.10151	24.8
123.08065	9.8
123.11706	5.2
125.09621	7.0
127.03857	3.9
129.05476	4.7
129.07002	19.1
131.08565	34.5
133.10132	39.6
135.08049	5.8
135.11696	22.1
137.09615	10.3
139.11195	2.7
141.07030	4.9
142.07776	2.9
143.08601	17.3
145.06444	2.8
145.10130	25.5
147.08017	4.8
147.11697	25.1
149.09633	15.3
149.13258	12.4
149.71603	2.4
151.11195	7.1
155.08566	9.1
157.10118	18.7
159.11722	25.7
161.09604	2.5
161.13274	10.3
163.11182	11.0
165.12793	4.2
167.08521	4.4
169.10139	8.8
171.11699	11.9
173.04364	2.4
173.11859	4.0
173.13277	12.5
175.11192	4.5
175.14749	3.6
177.12740	2.9
179.14291	3.7
181.10042	3.4
183.11703	6.7
184.07323	7.8
185.13289	7.4
187.11493	2.7
187.14801	4.0
189.11229	3.4
189.12773	3.8
197.13274	8.3
207.11893	2.8
209.13315	4.9
221.13420	2.7
223.13229	2.8
227.12782	6.7
229.14339	13.7
235.14757	3.5
241.19540	5.1
255.15863	5.0
257.19073	5.4
259.20602	19.0
267.15964	3.3
269.17462	9.3
271.81326	2.6
273.18390	5.4
275.20093	32.7
291.19519	6.6
333.24234	11.3
349.23813	18.2
365.23331	3.4
435.32660	3.5
463.31351	3.3
487.34225	5.7
505.35184	6.0
513.35669	5.2
527.37335	31.8
529.35193	4.4
543.36865	5.2
607.43311	17.3
625.44250	9.1
635.39343	3.5
639.45367	3.7
653.39899	3.0
689.42249	6.2
873.45093	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	872.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.4
65.03934	5.9
67.05511	100.0
68.01720	2.0
69.03432	14.2
69.07076	63.7
69.67515	12.3
71.04996	7.8
71.60690	1.6
72.10984	1.9
73.02911	4.0
77.03921	2.2
79.05499	68.4
81.03419	17.2
81.07061	81.9
83.04992	13.2
83.08623	19.5
85.02893	8.4
85.06544	3.8
91.05489	87.2
93.07052	74.9
95.04971	21.5
95.08614	53.5
97.02888	8.8
97.06532	18.4
97.10166	6.1
98.20852	3.1
99.08071	4.1
103.05465	3.1
105.07037	72.1
107.04968	11.2
107.08602	45.9
109.02885	1.7
109.06515	8.3
109.10166	30.5
111.08068	7.9
113.09614	2.2
115.05453	5.2
117.07026	24.2
119.08590	49.7
121.06490	5.2
121.10153	24.2
123.08072	5.2
123.11684	4.2
123.90200	1.7
125.09639	8.0
127.03915	5.9
128.06227	3.8
129.05479	5.2
129.07030	13.7
130.07800	3.1
131.08572	30.2
133.06499	2.3
133.10153	42.8
135.08057	6.3
135.11696	14.2
137.09596	9.5
141.06972	4.7
141.88654	1.9
142.07782	4.6
143.08585	16.9
145.06436	2.2
145.10146	24.8
147.08133	2.3
147.11717	23.5
149.09633	18.3
149.13274	11.2
151.11172	4.0
155.08514	6.1
157.10141	13.3
159.11710	20.6
161.09631	5.8
161.13258	12.4
163.02336	1.8
163.11171	8.4
163.14803	2.4
165.12753	2.2
167.08595	4.1
169.10130	7.2
171.10278	3.5
171.11691	13.5
173.11771	5.2
173.13254	10.3
175.11189	3.5
175.14801	3.4
177.12732	2.8
179.14262	3.3
181.10146	4.2
183.11691	9.2
184.07365	3.9
185.13284	8.5
187.11281	3.3
187.14798	2.1
189.11205	3.5
193.11845	2.4
195.11748	2.8
197.13290	8.3
199.14818	4.6
201.16389	2.3
209.13205	3.4
211.14871	3.6
213.16595	1.9
223.13153	3.7
223.15012	3.2
227.12726	3.7
229.14339	5.9
229.19659	2.0
239.17941	4.1
241.19478	4.0
253.14186	4.2
253.18134	2.2
257.19000	6.3
259.20526	13.2
267.16232	1.8
269.17538	7.1
273.18405	2.4
275.20123	26.8
291.19589	5.0
293.21176	3.1
315.23120	3.5
322.65298	2.0
329.74655	1.7
333.24344	10.9
335.25925	4.1
349.23743	16.8
513.35876	23.6
515.38068	3.4
527.37103	2.4
543.37000	4.1
607.43304	8.5
625.44299	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	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.4
61.33872	1.4
64.86973	1.3
65.03944	7.3
67.05506	97.4
69.03442	11.4
69.07072	63.9
69.07358	1.0
69.14043	5.8
69.14465	10.8
71.01376	3.0
71.04994	7.9
73.02907	1.9
74.23232	1.5
74.50594	1.4
79.05494	73.8
81.03419	18.4
81.07058	100.0
83.04984	13.8
83.08620	23.3
85.02904	8.1
85.06541	4.8
86.09676	2.0
91.03970	2.0
91.05486	71.7
93.07047	71.7
95.04967	20.9
95.08614	56.1
97.02893	9.3
97.06534	25.8
97.10172	14.9
99.04464	2.7
99.08088	3.6
103.05497	3.0
105.04533	1.6
105.06310	2.9
105.07030	57.3
107.04946	14.4
107.08591	45.3
109.02891	3.1
109.06525	9.3
109.10165	35.6
109.10929	1.8
110.43492	1.4
110.44334	1.9
111.04489	2.7
111.08088	8.2
113.09685	2.7
115.05461	3.3
116.86192	1.4
117.07018	23.3
119.08584	49.5
121.06509	8.7
121.10159	23.3
123.08054	7.5
123.11706	5.6
125.05970	2.0
125.09622	13.3
127.03913	4.4
128.06255	2.8
129.05508	2.8
129.06995	12.2
131.08568	31.4
133.06502	4.9
133.10132	33.4
135.08047	8.1
135.11688	19.6
137.09605	11.1
141.07011	5.1
142.07816	1.9
143.08533	11.0
145.04962	1.8
145.06430	2.2
145.10118	25.4
147.08055	4.7
147.11662	20.3
149.09619	29.9
149.13287	11.7
151.11166	4.9
155.08566	5.1
155.10623	2.5
157.08870	1.9
157.10153	12.4
159.08076	2.7
159.11708	19.1
161.09628	4.3
161.13313	9.7
163.11174	15.2
165.12788	2.2
169.10123	7.0
171.10303	2.7
171.11734	8.1
173.04477	2.0
173.09636	1.8
173.11757	7.9
173.13287	10.0
175.11223	6.1
175.14807	2.4
177.12717	7.0
179.08606	1.7
179.10600	2.2
179.14352	6.3
181.10240	1.7
181.12309	1.8
183.11702	8.9
184.07361	2.6
185.13252	5.1
187.11189	3.4
187.14908	3.2
189.11234	5.3
189.16441	1.6
192.09489	1.8
193.12215	2.4
195.11743	4.1
195.13863	5.7
197.13313	4.9
201.12714	2.0
205.11996	1.7
207.11810	1.6
209.13329	3.6
211.14975	1.9
215.14381	2.4
219.13902	1.9
223.13208	2.6
227.12721	10.1
227.17993	1.8
229.14365	8.5
229.19559	3.9
233.15454	2.9
239.17964	3.2
243.16017	2.1
247.20587	3.8
253.14326	2.0
253.18114	2.6
255.15848	8.1
257.19040	12.9
259.20630	2.8
267.15771	3.3
269.17462	15.3
273.18518	3.4
275.20071	41.4
291.19577	8.4
293.21243	4.4
313.21649	2.0
315.23209	1.6
331.22897	2.7
333.24350	4.2
349.19791	3.0
349.23755	39.3
365.23383	4.1
367.25076	1.9
409.25845	4.1
423.27374	6.7
445.29471	1.6
447.31253	2.1
503.33926	2.7
505.34973	2.0
513.35980	2.1
515.37604	2.5
525.35718	2.3
527.37451	12.1
529.35266	5.1
543.37030	13.5
544.37347	1.9
607.42755	5.8
623.42963	7.3
625.44513	2.4
639.43872	2.6
641.44269	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.432
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91675	1.1
64.55238	1.1
67.05508	15.9
69.03445	1.5
69.07077	5.8
70.95860	6.6
71.04969	1.4
71.08632	10.7
71.48481	1.6
72.93782	18.7
74.95359	2.2
79.05502	10.2
81.03006	1.3
81.03410	6.7
81.07069	16.5
83.08617	6.0
85.10187	5.5
86.95335	1.8
88.96888	2.2
89.94061	1.9
90.94823	8.4
91.05477	6.5
93.07063	7.6
95.04966	2.3
95.08620	17.8
96.37622	1.5
97.10181	2.8
100.96881	1.2
102.94818	3.5
104.96385	2.2
105.07055	3.6
107.08607	3.6
108.95905	1.5
109.10158	5.4
110.03672	1.2
113.40410	1.1
113.97680	1.8
116.96406	4.0
117.81405	1.2
118.94273	1.9
119.08580	2.2
121.10171	5.3
123.11732	1.9
126.98442	5.0
128.96341	6.3
130.97925	3.3
132.95836	27.2
133.10104	1.1
134.97400	1.4
135.11664	2.4
136.93132	1.8
136.95389	1.3
138.98363	1.5
140.96382	4.1
142.94324	1.4
142.97876	1.8
144.95853	11.2
144.99500	2.1
145.10144	1.5
146.97403	10.6
148.98875	1.9
150.96915	7.2
151.97598	1.5
154.94200	3.5
154.97931	3.0
156.95821	3.6
158.97382	12.9
159.11659	1.4
162.96906	6.0
164.98480	36.7
164.99876	1.7
165.03482	1.6
165.97131	2.0
166.97879	2.0
168.95833	1.3
168.99469	1.3
170.97395	12.7
172.95253	3.3
172.99002	2.9
174.96988	1.4
176.98524	4.2
178.97931	3.2
182.97427	5.1
184.99011	4.7
188.00031	2.3
188.98489	7.7
190.99973	2.1
192.97879	1.8
192.99538	1.7
196.92041	4.1
196.98946	1.9
198.96899	52.8
200.98553	6.1
203.00136	3.2
206.99533	8.6
213.03725	1.3
214.93076	4.3
214.99927	1.4
216.97902	9.7
218.99380	6.8
223.04018	1.5
227.05217	2.3
230.99446	9.3
233.01062	14.3
239.23676	2.6
239.99585	2.1
240.94656	2.0
241.05220	2.9
245.01015	2.9
254.99506	2.0
262.93091	27.6
268.94031	1.4
270.95663	6.5
272.14252	1.2
273.00549	5.1
279.08206	2.4
280.94189	17.8
281.09955	4.8
285.94595	2.3
294.95633	1.7
298.95224	24.4
303.95651	1.5
307.13364	1.6
309.15210	3.2
311.16714	2.0
312.96753	5.7
313.27374	53.8
313.57880	1.3
316.95953	1.5
318.95605	1.6
321.96878	2.6
327.16302	3.0
329.11969	6.7
329.17752	11.2
331.13501	12.1
332.14655	1.5
333.15118	100.0
334.15411	4.3
335.19528	1.7
335.25800	33.9
336.25998	2.3
336.96732	11.6
347.18799	1.9
354.97748	15.2
363.25412	1.9
372.98849	44.3
385.20480	3.0
396.00479	2.0
407.18790	18.1
414.01532	2.7
449.19946	3.3
466.11813	1.3
501.15967	2.1
519.16998	1.9
532.19043	1.3
537.18237	1.3
551.19403	1.2
573.49316	6.0
575.19165	1.6
593.20905	15.5
611.21814	54.8
612.22583	1.5
615.19305	32.7
633.20282	55.1
634.20886	3.0
645.41925	1.4
652.23828	3.1
742.23859	1.2
871.44226	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	870.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.1
65.03945	2.8
67.05508	71.9
68.05008	1.9
68.05853	1.7
69.03437	12.8
69.07070	48.2
69.43058	5.9
69.43481	5.1
71.04979	7.0
73.02899	1.7
79.05492	60.7
81.03427	14.1
81.07057	54.2
83.04980	10.5
83.08621	17.5
85.02890	5.7
85.06532	2.9
91.05482	57.1
93.07047	49.0
95.01273	1.5
95.04971	20.1
95.08611	36.7
97.02904	14.1
97.06527	21.1
97.10168	16.4
98.21557	1.6
99.08121	3.4
103.05453	2.5
105.04506	2.3
105.06318	1.8
105.07031	37.9
107.04957	18.0
107.08599	27.6
109.02882	3.5
109.06532	10.6
109.10157	27.4
111.04440	3.4
111.08065	6.8
115.05453	3.1
116.30572	1.4
117.07021	14.2
119.04974	2.1
119.08581	28.0
121.06492	6.5
121.10144	12.9
122.07180	1.7
123.08054	5.1
123.11729	3.9
125.09635	14.6
127.03902	3.2
128.06232	4.0
129.05487	2.5
129.06990	6.8
131.08568	18.7
133.06496	6.1
133.10129	18.7
135.08061	9.9
135.11641	8.8
137.09637	13.4
139.07509	2.1
141.06902	1.9
143.08563	6.5
145.06416	3.5
145.10132	12.9
147.05359	1.5
147.08008	8.2
147.11732	8.5
149.09630	17.3
149.13264	5.8
151.11198	3.4
153.09097	2.3
155.08556	1.7
155.10774	1.9
157.10104	7.7
159.11688	10.0
161.09622	3.5
161.13278	4.2
163.11168	10.3
165.09055	2.8
169.10156	1.8
171.10252	2.3
171.11682	5.8
173.11751	5.7
173.13275	4.6
175.11162	5.5
175.14818	1.7
177.12762	5.5
179.14331	3.5
181.05374	1.6
184.07285	3.2
185.09654	1.7
185.13254	2.4
187.11221	2.5
188.09569	1.5
189.11211	5.1
189.12744	2.0
193.12277	2.5
195.13843	2.4
197.13268	1.9
199.14697	2.0
205.12172	2.4
217.12178	1.8
219.08929	1.9
223.13290	20.3
227.12738	6.7
227.17874	2.0
229.14415	5.5
233.15375	2.3
249.14711	3.1
253.14159	2.3
255.15689	1.9
257.19031	6.1
267.15851	1.9
269.17398	3.9
273.18451	15.7
275.17209	2.6
275.20059	20.7
291.19553	100.0
292.19870	2.1
307.19049	2.4
338.87607	1.6
347.22043	2.2
349.23746	26.0
365.23221	28.6
430.19647	2.1
461.29001	4.1
468.22412	1.6
519.33502	8.7
521.37091	1.8
543.36884	8.5
559.36169	3.3
575.35211	2.3
639.42517	27.5
657.43622	2.3
805.24176	2.0
821.13477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	13.4
62.30937	1.0
65.03934	2.7
66.69890	0.9
67.05511	43.3
67.26360	1.0
69.03436	12.0
69.07072	10.3
69.33778	8.0
70.04206	1.9
71.01353	1.7
71.04996	8.1
71.58173	0.9
73.02924	9.0
79.05502	44.5
80.06257	1.1
81.03426	87.9
81.07065	41.6
82.03748	1.2
82.04200	4.3
83.01357	1.3
83.04499	1.2
83.04991	25.6
83.08624	33.5
84.02179	1.2
85.02914	37.1
85.06546	3.2
87.04487	1.1
91.03969	10.3
91.05486	49.9
93.06479	1.9
93.07051	27.8
95.04976	42.6
95.08615	15.8
97.02911	15.1
97.06532	11.6
97.09575	1.0
97.10179	16.2
98.07323	5.9
99.04455	2.3
99.08100	2.6
101.05984	1.3
105.04548	1.9
105.07043	28.0
106.66405	1.0
107.04967	14.0
107.08603	20.3
109.02895	2.8
109.06530	7.5
109.10166	15.6
111.04453	6.6
111.08092	17.7
113.06014	2.8
115.03937	1.3
115.05466	1.9
116.04720	11.9
117.07023	4.5
118.78533	0.9
119.04978	1.1
119.08590	30.8
121.06516	3.9
121.10162	11.8
123.08092	7.3
123.11732	2.8
125.06011	1.5
125.09641	17.5
127.03922	3.4
127.11191	2.7
128.06171	1.1
129.05508	27.3
129.06995	14.5
131.08592	20.3
132.62740	0.9
133.06493	4.7
133.10144	15.2
135.08057	3.8
135.11670	5.8
137.09641	4.9
137.13344	1.3
139.11179	1.0
142.07799	3.3
143.07045	6.4
143.10701	1.3
145.04956	3.4
145.10143	7.3
147.08086	6.1
147.11693	19.4
148.35278	0.9
149.09625	9.6
150.10324	1.1
153.09087	1.8
153.12688	4.7
155.10716	2.1
157.08626	13.5
157.10135	24.3
158.05696	1.4
163.06042	5.3
163.11198	12.0
164.12105	1.2
165.09006	1.3
165.12872	5.0
165.14017	0.9
167.07104	1.4
171.06540	3.2
171.10168	4.8
173.09599	2.4
173.11752	4.3
175.11203	23.3
181.12285	4.1
185.08188	2.0
189.11226	8.0
191.10686	2.8
192.70612	1.1
193.12257	83.9
194.12617	1.4
199.09627	2.1
199.13306	20.0
200.14096	2.2
201.14848	1.5
209.11768	11.9
210.12578	2.3
211.13312	100.0
212.13628	2.0
219.13843	1.5
227.12817	16.9
229.14386	4.5
247.13310	5.7
249.14919	2.0
255.15944	3.7
267.15945	31.1
268.16415	1.1
269.17490	1.4
283.15433	18.0
284.16153	1.5
285.16986	71.0
286.17465	1.7
301.16473	71.0
321.16702	1.1
339.18112	3.9
367.22379	1.1
385.23889	1.4
409.25900	7.4
421.25894	1.5
427.26965	9.6
439.26962	24.7
459.27463	4.8
475.27094	6.4
476.27814	5.0
477.28635	5.7
493.27972	21.9
494.28586	8.4
511.29071	71.8
512.29199	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	868.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	10.8
65.03932	1.8
66.61823	1.0
67.05511	21.9
69.03439	5.6
69.07077	8.7
69.12716	10.3
69.72730	0.9
71.01371	1.6
71.04993	4.2
73.02922	6.8
75.02509	0.9
79.05503	25.4
81.03427	21.1
81.07063	22.7
82.04200	4.3
82.07372	1.0
83.01344	7.1
83.04993	16.6
83.08621	12.8
84.02133	1.1
84.81287	1.1
84.90907	0.9
85.02917	16.0
85.06530	1.7
87.04482	1.0
91.03969	8.2
91.05492	19.1
93.07053	24.7
94.04210	1.0
95.04983	14.0
95.08614	9.1
96.04496	1.1
97.02889	10.2
97.06555	9.1
97.10188	10.0
98.07322	4.4
99.04462	2.9
99.08094	1.9
103.05472	1.3
105.07040	11.7
107.04967	9.6
107.08592	14.0
109.02893	1.8
109.06534	8.2
109.10166	8.2
111.04453	3.9
111.08113	3.5
115.03979	1.6
116.04720	8.5
117.07025	6.8
119.08601	11.1
121.06523	4.0
121.10171	7.5
123.04490	1.0
123.08087	10.8
125.06010	1.5
125.09640	11.4
127.03943	4.4
129.05501	22.1
129.07030	3.3
131.04918	1.4
131.08592	6.8
133.10120	5.0
135.08110	4.5
135.11711	12.0
136.51228	1.1
137.09622	3.2
143.07043	3.8
145.04985	4.4
145.06421	1.1
145.10147	15.7
147.08064	2.9
147.11725	5.1
149.09619	2.1
151.11183	1.6
153.09048	1.2
153.12743	2.3
155.08569	2.0
157.08638	8.6
157.10071	2.3
158.05782	1.4
159.11813	1.1
161.09624	1.4
163.06036	3.0
163.11198	22.7
165.12857	1.1
167.07094	1.1
171.06528	1.7
171.10173	2.8
173.09654	4.3
173.11758	1.3
175.11179	2.4
181.05061	1.4
181.12257	3.9
182.05383	1.0
189.11197	6.8
190.09863	1.6
191.10626	5.1
193.12274	4.4
196.41769	1.0
199.13338	6.1
200.14072	3.0
201.14879	2.1
209.11765	10.2
210.12584	1.8
211.13313	2.6
227.12804	15.3
249.14842	1.3
255.15971	2.0
259.68781	0.9
265.14359	1.8
267.15967	6.4
283.15427	85.1
284.16046	3.8
301.16489	76.8
302.16840	1.8
337.16492	2.7
351.18048	1.3
365.19720	1.3
383.22293	2.1
407.24353	1.5
425.25183	3.4
436.25067	1.2
437.25470	11.6
457.26160	2.4
474.26324	4.5
475.26920	11.6
491.26123	4.6
492.27283	8.3
493.27405	2.2
509.27515	100.0
510.27817	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	861.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.0
65.03957	0.7
67.05508	7.0
69.03428	3.2
69.07078	2.3
69.91238	1.5
71.04999	2.0
73.02920	3.4
79.05499	4.6
79.05916	0.4
81.03414	1.8
81.07061	6.0
81.20376	0.3
82.71909	0.3
83.05007	0.7
83.08614	1.0
85.02917	4.2
86.09713	0.6
91.03963	2.9
91.05481	3.3
93.07059	4.6
95.04990	1.1
95.08607	3.1
97.02887	4.4
97.06533	0.9
97.10195	1.0
99.04469	0.8
99.08052	0.4
101.02364	2.0
103.03986	0.4
105.07048	2.0
107.04997	0.4
107.08604	2.3
109.02912	0.8
109.10156	1.8
111.08063	0.6
111.21809	0.3
117.07074	0.6
119.08582	1.7
120.20381	0.3
121.10175	1.5
123.08080	0.4
124.99991	0.5
125.09636	0.7
127.03960	1.4
131.08600	1.1
133.10161	1.4
135.11734	0.8
140.49583	0.4
142.25534	0.5
145.10178	0.8
146.09637	0.5
147.11743	1.1
149.09708	0.7
149.13326	0.5
159.11685	0.7
159.39214	0.3
163.11230	0.6
171.11765	0.4
184.07307	1.9
185.04247	0.5
185.34013	0.4
198.75932	0.3
203.05328	0.6
243.08408	2.6
273.18588	0.7
275.20004	0.6
291.19754	1.0
292.20135	0.5
293.20993	0.8
294.21362	0.4
335.22058	0.4
335.26120	0.6
365.23026	3.4
393.61707	0.3
419.32263	0.4
421.25665	0.5
485.23682	0.6
513.01678	0.4
519.29254	5.4
583.30902	5.5
763.46472	0.4
775.44653	0.4
861.53351	100.0
862.53729	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	861.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02827	4.8
61.03170	1.7
62.17848	0.7
67.05399	5.7
67.05783	1.8
67.56221	0.8
69.03323	3.8
69.03735	1.3
69.06973	3.0
69.79553	3.4
69.79931	1.5
71.01295	0.7
73.02806	4.4
79.05379	6.9
81.03310	3.4
81.06938	7.0
81.07461	1.8
83.04886	1.7
83.08538	1.7
85.02787	5.7
86.09595	2.0
86.10058	0.8
91.03831	4.2
91.05361	6.9
91.74776	0.9
93.06920	6.8
95.04852	2.3
95.08472	5.2
97.02759	6.9
97.06425	1.2
97.57705	0.7
99.04336	1.1
101.02306	1.8
105.06906	4.8
107.04795	1.0
107.08465	3.7
109.06431	0.7
109.10036	2.0
117.06915	1.5
119.08440	3.9
121.10016	2.2
123.07950	1.1
123.11539	0.8
124.99957	1.4
125.09512	1.2
127.03761	2.3
129.05363	0.9
131.08478	1.9
133.09952	2.7
133.10858	0.7
135.11623	1.8
147.11563	2.3
156.07333	0.8
171.11629	1.5
173.83257	0.7
184.07341	8.6
185.04185	1.8
185.07693	1.5
203.05069	1.4
206.89824	0.7
207.13570	1.0
241.06726	1.0
243.08450	6.2
247.12993	2.3
254.76697	0.8
301.08780	3.3
315.10474	1.7
328.16541	1.0
333.20322	4.1
357.15182	0.8
371.16696	0.9
373.10962	0.9
385.18243	2.6
401.18881	0.7
413.17953	1.0
429.17697	1.1
439.19302	1.9
453.20895	2.4
465.20996	11.6
481.20535	1.6
519.78259	0.8
525.23364	6.1
533.27277	1.3
535.28912	4.7
551.28339	14.0
552.29102	0.9
593.29419	0.8
595.36676	0.8
607.30658	1.5
609.32452	1.5
611.30090	0.9
613.37469	1.7
635.34088	1.2
677.38318	2.3
695.39868	3.8
705.35101	1.1
707.39813	2.5
733.41339	1.7
745.41364	1.6
763.41901	3.8
775.42426	100.0
776.42395	7.1
815.45844	1.3
843.48767	12.8
861.49097	82.6
862.49255	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	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	0.7
61.02924	3.3
67.05502	5.4
69.03432	3.1
69.07066	2.8
69.21767	4.9
69.25805	0.5
71.01340	0.6
71.05012	0.7
73.02939	4.3
78.50154	0.5
79.05499	5.0
81.03413	2.4
81.07050	5.6
83.04981	1.1
83.08632	0.6
85.02911	3.9
86.09707	3.3
91.03951	1.5
91.05460	3.6
93.07049	4.2
95.04967	1.4
95.08633	3.4
97.02905	3.9
97.06524	0.9
98.20835	1.3
98.21492	0.9
98.98460	0.7
99.04447	0.9
101.02394	1.9
105.07038	3.4
107.08600	2.3
109.02868	0.6
109.06509	0.7
109.10154	1.1
117.07037	1.4
119.08582	1.8
121.10158	0.9
123.08064	0.7
125.00009	2.5
127.03973	1.5
131.08583	0.8
133.10141	1.6
135.11681	1.1
136.06218	1.2
137.09604	0.6
145.10173	0.7
147.11780	1.4
177.66994	0.5
184.07333	10.5
184.08803	0.7
185.07747	0.8
203.05299	0.6
243.08388	3.0
333.20294	3.1
365.84457	0.5
389.23108	1.5
439.19513	1.9
453.21130	1.4
458.74414	0.5
467.38986	0.6
469.20505	0.6
551.28381	11.2
552.28644	0.6
598.01178	0.6
763.42902	0.8
861.49646	100.0
862.50006	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	861.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	0.8
61.02927	3.5
62.68744	0.5
67.05503	7.0
69.03441	3.5
69.07076	2.7
71.01383	0.8
71.05007	1.0
71.07364	0.7
71.49067	0.6
73.02922	3.8
75.50478	0.5
79.05496	6.1
81.03420	2.0
81.07059	7.1
83.04987	1.8
83.08633	1.2
85.02905	4.4
86.09704	5.6
91.03951	2.6
91.05501	4.7
93.07051	5.2
95.04981	1.8
95.08610	3.4
97.02901	4.3
97.06525	0.9
97.10191	0.7
98.98479	0.6
99.04500	0.6
101.02407	1.6
105.07048	2.8
107.04998	1.0
107.08604	3.0
109.02870	0.6
109.06561	0.7
109.10188	1.0
111.08096	0.9
117.07048	0.6
119.08589	2.8
121.10174	1.2
123.08140	0.8
123.11779	0.9
124.99999	4.6
127.03934	1.2
131.08562	1.4
133.10167	1.6
135.11668	1.3
136.15216	0.5
145.10164	1.4
147.11684	0.7
157.10138	0.7
173.06010	1.1
174.06383	1.0
184.07346	17.4
185.04309	1.0
185.07750	1.9
201.39677	0.5
217.05067	2.2
218.05354	0.8
229.04955	0.7
243.08490	3.4
275.86334	0.6
329.13849	1.1
330.14359	1.5
333.20309	3.4
355.15509	0.6
375.33176	0.7
386.16995	1.0
389.23065	1.1
439.19547	2.0
453.21057	2.0
469.20676	0.8
551.28339	11.2
551.36383	0.8
629.37891	0.6
719.57184	0.6
763.41956	0.9
861.49664	100.0
862.49933	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	861.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.2
62.14793	0.8
67.05512	10.6
68.30566	0.9
69.03432	5.2
69.07076	3.8
71.49108	1.3
72.66103	0.9
73.02923	5.2
79.05496	8.1
81.03442	3.6
81.07072	8.3
83.05000	2.3
83.08661	1.8
85.02937	5.9
85.06578	1.2
86.09733	4.2
91.03962	4.9
91.05491	8.0
93.07064	10.2
95.05010	2.7
95.08606	4.9
97.02895	7.6
97.03403	0.9
97.10172	0.8
99.04488	1.0
100.98854	1.0
101.02400	3.0
105.07053	6.3
107.08628	2.4
109.02868	1.1
109.10181	2.5
110.84760	0.9
117.07069	2.0
118.48709	1.1
119.08578	4.5
121.10172	1.6
122.31928	1.0
125.00049	2.9
127.03955	2.3
129.06972	1.1
129.54710	1.0
131.08611	1.5
133.10164	1.6
135.11739	1.9
143.08571	1.0
144.77423	1.0
145.10205	1.7
147.08110	0.9
147.11731	2.4
149.13347	0.9
157.10130	1.3
161.13342	1.0
163.03885	1.2
171.11723	2.0
184.07372	12.0
185.04324	1.9
185.07724	1.4
191.88126	1.1
243.08472	6.9
247.13022	1.2
297.75562	1.1
301.06216	1.1
301.09241	3.4
303.15613	1.0
315.10672	2.0
333.20569	4.2
355.14893	1.0
357.24182	1.2
373.11108	1.7
385.18475	3.3
389.22977	1.2
429.18066	1.0
439.19437	1.0
450.79095	1.2
453.21277	1.7
465.21097	14.5
469.19888	1.0
481.20682	2.3
492.84863	1.0
525.23138	5.9
527.99866	1.1
535.28986	6.1
551.28271	13.7
607.30737	1.6
609.32605	1.7
677.38654	1.2
695.40076	2.5
703.63855	1.1
705.35181	2.8
707.40082	1.7
733.41840	1.1
745.41974	1.5
763.42780	3.8
775.42432	100.0
776.42841	7.5
815.46552	1.4
843.48535	13.4
861.49060	82.5
862.49615	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	859.4819
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.08150	0.7
61.02931	3.8
65.03941	1.3
67.05507	9.7
69.03437	3.8
69.07073	4.5
69.24319	3.2
69.24744	2.1
71.04968	0.8
71.08628	1.5
73.02917	2.6
79.05497	7.2
80.23676	0.6
81.03429	3.4
81.07065	7.7
82.07403	0.7
83.04992	1.2
83.08636	2.5
85.02935	3.2
85.10167	0.9
86.09696	3.3
91.03971	2.3
91.05486	5.7
93.07049	5.3
95.04993	1.9
95.08617	5.4
97.02882	3.4
97.06519	1.2
97.10197	2.2
98.21403	1.9
99.08134	0.7
101.02395	1.6
105.07030	2.9
106.07372	0.6
107.04951	0.7
107.08610	3.7
109.02902	0.7
109.06557	1.0
109.10184	2.8
115.05438	1.1
117.07014	0.9
119.08583	2.9
121.10159	1.3
123.04418	0.7
123.08052	1.1
123.11756	1.1
125.00038	2.1
125.09659	1.7
131.08562	1.8
133.10185	1.6
135.11713	1.8
137.13290	0.7
141.07059	0.9
145.10150	1.5
147.08057	0.8
147.11606	1.1
161.05960	0.6
163.03944	1.4
169.06473	0.7
173.04715	0.8
173.05948	4.2
177.76599	0.8
181.06633	0.7
184.07346	9.5
185.04434	1.0
185.06070	0.8
185.07782	0.7
187.07584	1.0
189.05551	0.8
193.12363	0.6
197.06049	1.3
198.06808	0.6
199.04012	2.3
199.07657	2.8
201.05469	1.3
201.09148	0.5
211.07611	1.9
213.05539	1.6
215.07002	1.0
217.04967	5.3
223.13371	1.2
225.05577	2.1
227.07132	1.6
229.05072	0.7
239.07114	1.7
243.08492	4.2
247.07742	0.6
267.13992	1.7
291.19543	1.9
301.12128	0.7
311.12939	1.5
313.27542	2.7
319.13300	1.3
327.15982	1.9
329.13800	3.3
331.19153	1.0
333.20648	1.7
335.26105	0.7
337.14389	5.6
355.15445	6.9
373.16562	1.4
385.16818	1.8
387.21664	0.9
411.18304	2.5
429.19183	4.5
439.19107	0.8
453.21555	0.8
482.09412	0.7
525.35211	0.6
541.55469	0.7
549.27124	5.5
551.28522	5.3
649.42340	1.0
667.42072	3.0
813.45026	1.6
841.45905	1.2
859.48120	100.0
860.48444	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	859.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05029	0.8
69.17161	1.9
79.05499	0.4
82.03842	0.2
83.01345	0.3
84.08114	0.3
84.36575	0.2
91.05481	0.8
95.04949	0.4
97.02892	0.2
98.21160	1.1
103.05460	0.4
105.07025	0.2
107.04999	0.3
108.08136	0.9
109.02880	0.3
111.96149	0.2
115.05458	1.0
117.05701	0.2
117.07027	3.2
118.06570	0.3
120.08093	0.3
124.03976	1.4
129.07019	0.6
130.06541	1.6
130.96886	0.2
131.04930	0.3
132.08081	0.3
133.06516	0.3
134.09647	0.2
135.26038	0.2
137.05971	0.3
143.07330	2.3
144.08096	100.0
145.06500	0.4
145.08430	2.1
145.11214	0.2
146.06042	0.3
147.04384	0.3
148.07605	0.2
151.03926	0.3
155.06055	0.8
155.07228	0.3
156.08105	2.3
157.08955	0.2
158.09663	2.1
162.09175	0.3
163.03886	0.5
164.07056	0.4
167.07224	0.8
168.08113	0.7
169.08881	0.3
170.09671	4.0
171.95111	0.2
175.07602	0.2
178.08647	4.8
180.08159	0.3
181.08772	0.4
182.09636	2.4
185.10835	0.4
194.09665	0.2
196.11293	0.4
199.12329	0.9
206.09711	0.5
208.09676	1.0
210.11273	5.4
210.13243	0.3
222.11278	1.5
222.13094	0.3
224.10626	0.5
234.09320	0.2
234.12791	0.3
250.12177	0.4
252.10187	1.9
262.12381	0.3
264.13971	0.2
278.11835	0.6
284.12885	1.2
286.54831	0.2
293.16269	0.3
321.15955	1.5
324.16107	0.3
336.16086	0.3
353.18628	83.4
354.18991	3.4
546.48615	0.2
650.18274	0.3
686.25153	0.2
747.67957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	3.8
65.34233	1.8
67.05505	100.0
69.03420	5.1
69.07068	19.6
69.13081	1.9
69.46503	12.2
71.04992	8.9
79.05025	2.3
79.05495	59.5
81.03410	8.7
81.07055	80.0
83.04977	7.9
83.08628	14.4
85.02897	4.3
85.06537	4.1
91.05484	43.9
93.07043	63.0
95.04979	6.9
95.08609	50.4
97.02890	2.4
97.06538	10.2
97.10169	6.1
99.08064	3.2
103.05458	2.3
105.04479	2.4
105.07033	32.1
107.04955	4.4
107.08595	40.1
109.06521	4.4
109.10160	51.6
111.08067	5.8
117.07044	15.2
119.08599	20.7
121.10159	24.6
123.08125	3.2
123.11700	4.9
125.09633	3.4
129.06999	6.1
131.08575	22.3
133.10132	19.6
135.08142	3.1
135.11661	15.9
137.09604	2.7
137.13249	1.9
143.08539	3.6
145.10123	15.9
147.11732	10.9
149.09612	4.7
149.13245	9.2
155.10660	2.3
157.10115	4.8
159.11728	14.6
161.13231	4.6
163.11201	5.1
163.14867	2.5
171.11720	2.2
173.11717	9.9
173.13290	7.0
177.12784	3.3
184.07271	2.8
185.13324	2.4
189.11247	3.0
195.13713	2.5
201.16412	2.2
206.21268	2.1
227.12712	9.1
229.14359	40.0
243.21129	3.6
256.02924	1.9
257.18893	3.5
261.22137	14.1
269.17505	9.4
275.20105	16.5
276.09979	3.2
294.69769	1.7
316.16284	1.8
335.25812	82.4
349.23669	11.4
381.26584	3.5
413.21704	5.5
437.34152	2.2
489.35806	26.8
507.36667	4.1
529.38904	71.3
530.38763	3.9
550.59119	2.2
569.41687	7.9
609.45068	25.6
627.46063	4.1
641.47394	6.3
655.41583	2.1
673.42944	6.5
889.31219	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	856.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.2
65.03943	4.9
67.05510	100.0
69.03419	6.2
69.06733	2.2
69.07077	30.3
69.93082	3.1
69.93473	4.4
71.04999	12.9
71.08617	1.7
73.02921	1.9
79.05499	75.9
81.03422	11.4
81.07060	98.3
83.04980	7.8
83.08624	18.0
85.02901	7.0
85.06548	4.7
86.09737	1.6
91.05488	57.6
93.07052	82.1
93.07642	3.9
93.65018	1.7
95.04970	10.9
95.08615	57.3
97.02883	4.4
97.06541	16.1
97.10164	5.3
98.21470	2.2
99.08116	2.9
100.36960	1.6
105.04507	2.5
105.06416	2.3
105.07044	33.4
107.04951	7.2
107.07888	2.4
107.08606	42.9
109.06532	8.0
109.10166	29.2
111.08097	5.1
112.40064	1.5
115.07549	3.2
115.44823	1.6
117.07021	13.9
119.08591	28.3
121.06508	5.4
121.10152	28.9
123.08108	3.1
123.11695	4.2
125.09612	5.9
127.03923	2.1
129.05486	3.5
129.06998	7.5
131.08571	23.0
133.10132	26.2
135.08109	3.2
135.11710	17.2
137.09615	3.9
137.13263	2.2
143.08548	5.1
145.10129	19.2
147.11714	13.0
149.09651	8.0
149.13269	12.5
151.11168	2.8
155.08533	3.7
157.10133	6.2
159.11678	14.4
161.13243	6.2
163.11188	4.6
163.14867	2.5
165.12781	1.8
171.11713	5.0
173.11795	3.7
173.13263	8.7
175.14868	3.4
177.12741	2.9
179.14343	1.9
184.07372	3.2
185.13303	2.9
187.14766	3.7
195.13788	4.3
197.13290	1.5
211.14719	2.3
215.17923	1.7
227.12660	2.6
229.14333	13.7
229.49492	2.0
243.21126	2.0
257.18958	5.6
259.20615	3.3
261.22195	9.4
261.24506	1.6
269.17471	10.6
275.20065	17.7
293.21054	1.8
317.24649	2.0
335.25818	81.7
336.26190	2.4
349.23611	10.7
363.25229	2.4
381.26440	2.3
413.21689	6.8
472.68326	2.2
489.35831	13.3
511.36819	1.9
529.38947	88.4
530.38959	5.3
569.09540	1.8
609.45215	30.2
610.44354	1.7
641.48041	11.7
673.42670	10.1
687.18701	1.9
845.58936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.4
65.03921	7.3
67.05509	94.6
67.94458	1.9
69.03429	16.0
69.07070	41.9
71.04980	6.6
73.02902	4.1
77.03933	2.7
79.05498	95.1
81.03419	17.7
81.07059	100.0
83.04994	19.5
83.08613	19.4
85.02929	13.0
85.06535	7.0
86.09731	2.7
91.03989	2.5
91.05486	92.2
93.07050	88.6
93.07648	3.3
95.04965	17.2
95.08613	63.6
97.02905	10.6
97.06527	17.1
97.10170	8.2
98.09674	3.2
99.04439	4.5
99.08081	5.1
103.05479	2.8
105.04559	2.8
105.07037	86.3
106.81531	1.9
107.04970	9.2
107.08594	41.0
109.02866	3.8
109.06509	8.3
109.10152	22.5
111.08083	5.7
115.05441	5.4
116.06236	2.0
117.07019	36.6
119.08583	58.6
119.16663	1.9
121.06515	7.1
121.10157	32.2
123.08035	8.2
123.11707	7.7
125.09630	6.8
127.03908	6.0
128.06219	8.0
129.05464	7.0
129.07018	21.1
130.07822	3.8
131.08575	40.2
133.06444	3.1
133.10139	44.2
135.08064	9.8
135.11690	18.7
137.09628	5.2
137.13126	2.1
139.07568	2.1
139.11188	2.1
141.06987	5.9
142.07751	4.2
143.08566	22.0
144.09373	3.2
145.06523	4.1
145.10136	30.6
147.11685	36.0
149.09644	11.1
149.10611	2.2
149.13240	14.5
155.08589	9.4
156.09227	2.6
157.10149	19.3
159.10480	2.4
159.11714	29.6
161.09593	3.1
161.13272	19.1
163.11150	7.7
163.14847	3.1
165.12697	2.4
169.10167	10.2
171.11682	19.4
173.09627	4.4
173.13263	15.7
175.11241	2.5
175.14804	5.8
177.12746	4.7
179.14261	5.5
181.10120	5.2
183.11728	11.4
184.07335	9.2
185.09616	2.3
185.13261	14.7
187.11179	2.8
187.14865	5.9
189.11130	3.4
189.12723	3.3
191.14194	2.0
195.11720	5.7
195.13750	5.6
197.13263	7.4
199.14902	9.4
201.16307	2.7
207.13809	3.9
209.13249	4.7
211.14842	4.2
213.16415	3.0
215.18080	2.6
223.14815	2.9
227.12773	2.6
227.18120	2.5
229.14299	3.4
229.19559	4.9
239.18134	3.0
241.19513	7.4
245.18906	2.8
257.18967	6.9
259.20569	21.3
261.22165	4.0
269.17471	8.9
271.16803	2.7
275.20087	9.9
281.17551	3.0
291.19431	3.4
301.16440	4.5
313.21799	2.3
315.23062	2.9
331.59415	1.9
333.24213	15.3
335.25891	15.2
349.23633	7.0
363.21881	2.0
435.32300	4.0
453.33533	3.5
475.30615	2.5
497.88965	2.2
527.37073	9.8
561.37970	3.1
607.42828	3.1
609.45325	19.5
625.44293	6.4
641.43707	3.8
789.33734	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.8
65.03941	5.1
67.05505	79.2
69.03436	10.8
69.07069	35.6
69.92307	1.5
70.09936	4.7
71.01391	1.9
71.04983	5.8
73.02913	1.7
73.17236	1.7
77.03929	1.8
79.05494	68.4
81.03413	14.8
81.07057	100.0
83.04971	15.6
83.08621	14.7
85.01017	1.5
85.02900	5.5
85.06525	4.9
91.04906	2.5
91.05482	57.9
93.07043	69.5
95.04964	14.7
95.08607	35.7
97.02877	5.1
97.06540	20.0
97.10174	8.2
99.04428	1.7
99.08092	5.0
102.27276	1.6
105.04537	2.3
105.07034	44.5
107.04943	10.7
107.08604	40.1
109.06519	10.2
109.10149	13.9
111.08068	6.9
115.05461	3.9
117.07020	24.0
119.08574	31.3
121.06499	4.4
121.10140	25.4
123.08082	5.8
123.11733	6.2
125.09644	6.4
127.03954	3.8
128.06258	2.9
128.50142	1.6
129.06996	9.9
131.08583	25.0
133.10126	28.9
134.66866	1.7
135.08049	7.4
135.11696	20.6
137.09569	4.3
141.06993	3.6
143.08568	7.1
145.06534	2.2
145.10138	20.9
147.08090	2.1
147.11687	13.7
149.09630	19.0
149.13261	19.1
151.11076	1.8
155.08554	3.9
156.09320	1.8
157.10162	7.3
159.07996	2.0
159.11674	17.8
161.09625	1.6
161.13277	4.3
163.11191	9.3
165.12767	2.2
167.08559	2.3
169.10138	4.4
171.11682	4.9
173.04466	2.0
173.05927	2.1
173.13278	5.6
175.11208	2.3
175.14740	2.2
177.12712	5.5
179.14322	3.2
181.12279	2.8
183.11699	5.2
184.07356	5.8
185.13329	3.2
187.14864	2.0
189.11201	2.6
189.12755	1.8
191.14389	1.8
195.11913	2.2
195.13802	10.0
197.13321	3.2
201.12779	1.9
213.14749	2.0
215.14250	2.0
227.12823	5.1
229.19606	1.7
239.18025	4.0
247.20583	2.6
251.16431	2.6
255.15962	14.6
257.19009	10.6
267.15869	3.4
269.17493	41.7
275.20068	35.9
276.20343	2.2
291.19421	2.4
293.21030	2.4
331.22610	2.1
349.23727	29.7
367.24890	6.5
413.21725	1.7
433.30219	1.7
435.27390	2.8
445.29269	3.0
449.28906	22.7
463.30524	32.0
469.32452	1.7
471.14053	1.7
525.35858	4.6
529.35016	6.4
543.36804	33.2
547.36658	2.1
561.37714	4.8
607.35327	2.7
623.43317	2.6
641.43732	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	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.7
61.98463	1.0
61.98788	1.2
65.03941	4.6
67.05511	82.9
69.03445	8.5
69.07073	48.2
71.01336	1.7
71.05004	7.5
73.02913	2.1
75.25003	1.3
77.03916	2.0
79.05499	77.9
81.03424	17.7
81.07065	100.0
82.07414	1.5
83.04995	16.6
83.08628	20.1
85.02922	7.2
85.06540	5.5
86.09715	2.6
91.05490	69.2
93.07051	80.4
95.04973	15.3
95.08616	43.7
95.43654	1.3
97.02883	5.1
97.06539	22.0
97.10185	11.8
99.04437	3.2
99.08103	3.8
103.05455	3.3
105.04530	2.8
105.07041	53.4
107.04971	15.0
107.08601	50.3
109.02877	1.9
109.06509	9.4
109.10162	19.9
111.04450	1.7
111.08083	7.0
113.09692	1.3
115.05470	3.1
117.07026	25.4
119.08593	39.4
121.06523	7.7
121.10154	23.2
123.08085	4.6
123.11725	7.3
125.00011	1.2
125.09637	8.7
127.03911	3.4
128.06261	3.5
129.05490	2.1
129.07008	12.1
130.07829	1.6
131.08582	29.3
133.06448	1.3
133.10146	32.6
135.08087	7.1
135.11703	23.1
137.09618	4.9
139.11253	1.8
141.06984	3.7
142.07755	2.5
143.08566	8.3
145.06491	2.9
145.10129	24.8
147.08069	3.6
147.11705	19.5
149.09656	14.8
149.13251	15.2
151.11238	2.5
153.09137	1.5
155.08540	5.8
157.10176	8.6
159.08058	2.2
159.11714	21.0
160.08908	1.2
161.09607	2.4
161.13264	6.8
163.11209	12.6
163.14803	1.2
165.12747	3.0
167.08591	1.6
169.10126	6.9
169.12260	1.3
171.07813	1.3
171.10258	2.3
171.11714	5.9
173.04466	3.7
173.09642	1.7
173.13287	10.3
175.11201	3.3
175.14877	2.0
177.12790	7.6
179.10625	1.5
179.14331	5.7
181.10129	3.3
181.12251	2.0
183.11693	5.2
184.07359	8.7
185.09637	1.2
185.13254	3.4
187.11232	3.2
187.14868	2.7
189.11235	4.5
189.12794	2.6
195.11937	2.5
195.13828	8.3
197.13287	5.0
199.14839	2.4
201.12854	1.5
207.11861	1.6
209.13199	1.4
211.14879	2.1
219.13815	1.5
227.12799	9.8
229.14262	1.5
229.19473	2.4
229.36948	1.7
235.16995	1.6
239.18016	6.0
247.20610	3.9
251.16499	2.1
253.14285	2.3
255.15921	13.7
257.19061	13.2
259.20526	1.9
267.16010	3.2
269.17493	40.2
275.20099	53.1
277.54651	1.3
293.21109	4.3
331.22708	4.0
339.18243	1.4
339.23145	1.3
349.23767	42.0
350.23898	1.3
367.24734	6.2
389.27057	1.5
413.21515	2.0
431.28107	1.8
433.31339	1.9
435.27164	3.4
445.29568	2.0
447.31027	2.9
449.29047	21.5
451.31870	2.3
463.30591	21.0
469.33447	1.6
503.33417	1.7
511.33862	2.1
525.35602	3.4
529.35278	10.6
530.35199	1.4
543.36890	37.4
544.36975	1.9
547.36304	1.7
561.37769	4.9
595.43378	1.4
623.42932	8.2
641.44080	2.9
857.45233	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	2.5
65.03944	3.9
67.05508	98.2
69.03439	12.2
69.07069	31.3
70.53355	4.8
71.04998	7.9
73.02927	3.3
77.03949	1.7
77.96206	1.5
78.49962	1.6
79.05499	82.1
80.05824	2.2
81.03415	15.9
81.07060	100.0
83.04990	16.2
83.08619	19.0
85.02895	7.2
85.06540	6.2
86.09705	2.9
91.05486	82.4
93.07050	81.9
95.04987	18.2
95.08614	55.4
97.02900	8.1
97.06535	15.5
97.10183	6.0
99.04445	2.3
99.08090	3.9
103.05493	3.7
105.04512	2.8
105.07039	66.2
105.20181	1.7
107.04955	11.9
107.08595	42.4
109.02885	2.3
109.06536	11.1
109.10168	20.8
111.04332	2.0
111.08098	4.8
113.05984	1.8
115.05469	4.7
117.07023	30.5
117.07854	2.2
119.08591	50.7
121.06518	6.4
121.10148	25.1
123.08082	8.8
123.11694	6.4
124.00033	1.5
125.00010	1.9
125.09651	5.3
127.03883	4.2
128.06224	4.8
129.05510	3.2
129.07001	19.2
130.07761	1.8
131.08580	34.5
133.06500	2.6
133.10133	44.5
135.08028	7.4
135.11699	23.7
137.09612	6.0
137.13248	1.5
138.67859	1.6
141.06950	4.2
142.07805	4.0
143.08572	13.3
144.09444	2.0
145.04970	2.0
145.06514	2.6
145.10114	26.2
147.08057	2.5
147.11688	22.2
149.09619	10.6
149.13272	17.8
151.11179	4.0
155.08577	6.1
156.09302	2.3
157.10159	13.8
159.08105	1.9
159.11693	25.0
161.09610	3.2
161.13258	10.1
163.11172	7.1
163.14880	1.7
165.12767	2.3
167.08543	2.3
169.10121	6.4
170.10966	1.6
171.11729	12.9
173.04562	1.9
173.09665	2.4
173.13290	9.9
175.11247	3.5
175.14935	3.0
177.12764	4.8
179.08571	1.7
179.14389	2.0
181.10092	2.9
183.11690	4.8
184.07336	5.8
185.09634	2.3
185.13280	8.2
187.11136	2.5
187.14842	4.8
191.14389	2.8
195.11891	3.3
195.13843	6.3
197.13289	4.4
199.14868	4.2
201.12674	2.8
201.16397	2.7
207.13730	1.9
209.13310	3.3
211.14861	3.0
213.16496	2.2
221.13371	1.9
223.14882	2.0
231.20969	1.7
239.17982	2.7
241.19527	6.4
247.20483	2.7
253.14415	6.1
254.14546	2.4
255.15831	8.5
257.18979	6.9
259.20645	15.5
267.15955	3.2
269.17517	22.0
271.17017	1.7
275.20068	21.3
276.20370	2.3
291.19357	4.0
293.21115	2.5
315.23288	2.3
333.24228	16.4
335.25714	3.3
349.23807	12.5
365.23785	2.1
367.24710	2.2
449.28989	2.9
453.33496	2.4
463.30548	6.4
501.49026	1.7
513.35425	4.8
525.35870	2.0
527.37244	11.1
543.36444	5.6
551.41046	2.0
559.35931	1.8
560.36371	2.0
561.37396	3.2
607.43341	5.2
625.44531	5.5
888.41364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51165	0.6
61.02934	3.0
64.56480	0.7
65.03947	3.8
67.05513	100.0
69.03432	3.7
69.07076	16.6
70.01904	1.9
71.01369	1.2
71.05003	2.8
73.02937	2.8
79.05505	44.4
81.03432	9.0
81.07066	61.7
83.04984	7.1
83.08630	13.8
85.02914	12.5
85.06559	3.2
87.04493	3.8
91.04002	1.5
91.04910	1.1
91.05489	24.5
93.07056	41.5
95.04988	6.4
95.08620	38.5
97.02920	4.1
97.06541	5.5
97.10178	15.9
98.21474	0.8
99.04557	0.6
99.08118	2.1
103.03928	0.7
104.60670	0.7
105.04559	1.5
105.07040	15.8
107.05006	3.3
107.08611	27.2
109.06539	3.1
109.10169	58.2
110.10545	1.1
111.04499	1.9
111.08086	4.3
111.11699	0.8
113.09749	0.9
115.05534	1.0
117.07023	6.6
119.08595	14.5
121.06522	1.6
121.10165	18.0
123.08117	2.4
123.11745	4.0
125.09637	14.1
129.05560	2.7
129.07050	2.3
130.23566	0.6
131.08583	10.4
133.10153	8.5
135.08075	1.5
135.11714	12.4
137.09660	3.0
137.13248	1.5
139.11211	1.5
143.08517	0.9
143.10713	1.9
145.10147	8.8
147.08063	0.9
147.11691	7.0
149.09683	1.3
149.13281	4.4
151.11264	1.0
153.12811	2.9
155.10684	5.2
157.08684	0.8
157.10228	1.5
159.11716	5.4
161.13313	4.1
163.11221	7.0
163.14886	2.6
165.12843	0.7
171.11707	1.3
173.09669	1.5
173.11806	12.5
173.13335	4.9
175.14876	1.8
177.12791	0.8
177.16455	0.9
179.14311	0.8
181.12323	2.3
183.11902	0.8
184.07562	0.7
187.14893	2.2
189.11255	1.2
191.10751	2.7
193.12347	2.7
199.13287	6.5
201.16528	1.4
209.11751	4.6
211.13301	1.2
215.61311	0.7
227.12790	5.2
229.14377	41.1
243.21173	5.4
245.14165	0.8
259.20670	1.2
261.19257	1.3
261.22186	14.4
267.16061	3.0
275.20166	0.8
279.23505	1.0
283.15353	1.2
286.55637	0.7
301.16498	12.0
310.08600	0.9
315.23270	0.9
317.24814	1.9
327.23630	1.1
335.25830	67.4
336.26361	2.4
363.25525	1.5
383.24423	0.6
399.23911	13.2
451.32510	0.7
477.35617	5.4
489.35815	16.9
543.36316	1.0
561.37921	4.7
579.38562	3.2
659.45361	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18983	4.4
65.03931	7.2
67.05505	98.0
69.03423	11.7
69.07063	42.1
69.21797	43.5
71.04986	8.4
79.05492	100.0
81.03413	19.7
81.07058	94.5
83.04974	11.7
83.08610	33.5
85.02923	6.6
85.06545	5.1
86.09698	15.1
91.05483	75.3
93.07042	71.0
95.04967	14.3
95.08613	44.1
97.02882	7.2
97.06531	21.2
97.10174	50.4
98.20908	16.9
98.21615	7.5
105.07030	69.3
107.04955	13.1
107.08597	85.0
108.17148	3.8
109.02861	7.2
109.06525	10.6
109.10135	26.0
111.08092	7.7
117.07027	19.6
119.08583	43.1
121.06520	8.2
121.10140	18.2
123.11739	7.7
124.99985	8.9
125.09618	52.0
129.06984	8.2
131.08545	35.2
133.10097	38.3
135.08054	14.3
135.11682	16.1
138.29106	4.1
143.08566	10.6
145.10117	40.4
147.11687	23.8
149.09619	19.2
149.13269	9.6
153.09100	6.3
155.08490	9.0
157.10106	11.8
159.08034	5.1
159.11752	28.8
161.13289	7.5
163.11200	11.5
169.10147	10.6
171.10301	4.9
171.11674	10.6
173.13260	12.5
183.11722	6.9
184.07330	52.5
185.13312	6.5
187.11278	4.8
189.11208	35.7
195.11783	4.6
195.13806	6.8
197.13292	4.5
227.12782	87.3
239.17955	6.6
245.13850	6.1
255.15916	10.1
257.18976	18.0
269.17477	29.5
275.20071	89.5
331.22589	9.6
349.23700	74.1
367.24854	6.6
375.27411	4.2
439.26797	7.3
519.33075	9.4
529.35089	19.3
535.20709	4.6
543.36859	77.6
544.36993	5.6
623.43066	31.1
641.43866	9.4
731.40869	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.0
62.45425	2.1
63.90890	1.9
65.03938	6.4
67.05508	100.0
68.05814	3.2
69.03435	11.1
69.07072	39.6
71.04991	7.6
71.08628	1.9
73.02905	2.8
79.05498	87.0
80.05835	2.4
81.03425	15.9
81.07058	87.6
83.04984	14.1
83.08614	15.1
83.18845	1.8
85.02917	8.9
85.06551	4.6
91.05485	80.9
92.05804	3.3
93.07050	79.0
95.04975	16.5
95.08613	49.5
96.08943	2.6
97.02885	6.8
97.06543	17.3
97.10181	7.3
99.08090	5.3
105.04532	2.9
105.07038	71.6
106.07397	1.9
107.04973	9.4
107.07902	3.1
107.08605	43.1
107.23946	1.8
109.02853	2.5
109.06511	10.2
109.10166	26.7
111.04450	2.6
111.08067	7.8
113.09643	2.2
113.16638	1.7
115.05445	4.3
117.07022	29.1
119.08588	52.6
121.06515	5.8
121.10152	23.3
123.08076	6.7
123.11684	6.5
125.09618	5.8
127.03899	5.9
128.06230	6.7
129.05486	3.8
129.07028	17.2
130.07785	4.6
131.08578	34.3
133.06497	3.4
133.10133	41.5
134.10446	2.1
135.08064	11.3
135.11703	22.2
137.09628	6.3
141.06973	5.9
142.07822	3.6
143.08556	18.5
145.06470	3.6
145.10133	28.8
147.08075	4.3
147.11696	25.8
149.09621	14.6
149.13248	12.0
151.11168	5.0
155.08568	10.9
157.10168	13.5
159.08110	3.1
159.11710	22.7
161.09683	2.7
161.13264	14.3
163.11163	10.6
167.08475	3.2
169.10138	11.8
171.10381	3.4
171.11693	16.5
173.09673	3.6
173.11864	2.8
173.13254	11.3
174.65292	2.4
175.11253	2.8
175.14815	3.4
177.12769	5.6
179.14326	4.1
181.10150	3.7
183.11694	5.7
184.07327	7.0
185.09676	1.9
185.11809	2.0
185.13226	10.8
187.14830	6.1
189.12817	2.5
193.10178	2.8
195.11829	4.0
195.13811	7.5
197.13278	7.2
199.14861	5.8
209.13223	4.7
211.14920	3.9
213.16353	2.9
217.32974	2.1
221.13254	2.2
223.14943	3.4
227.12801	3.8
229.14226	3.3
229.19444	3.8
235.14955	2.6
239.17984	4.2
241.19577	5.6
253.14351	7.3
254.14677	3.2
255.15948	5.2
257.18933	7.8
259.20618	14.5
269.17477	16.3
273.18500	3.5
275.20065	24.5
276.10071	2.7
276.20639	2.9
291.19888	2.4
293.21011	5.9
311.24194	2.2
333.24313	12.1
335.25693	2.5
349.23703	15.7
365.23309	3.2
367.24753	2.2
421.30893	2.7
435.32675	3.1
463.30847	3.3
513.35754	15.8
527.37427	14.2
543.36896	6.2
561.37451	3.9
607.43378	8.6
625.44385	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.1
63.17995	2.6
65.03943	6.3
67.05511	93.6
68.05847	3.2
69.03441	13.4
69.07076	47.4
70.07399	3.7
71.05000	9.5
73.02917	3.5
77.03925	3.5
79.05501	91.2
80.05829	3.1
81.03433	18.7
81.07062	100.0
82.07409	4.1
83.04993	14.4
83.08624	24.0
85.02911	7.6
85.06557	5.6
86.09701	8.6
91.05486	96.7
92.05809	4.7
93.07056	88.5
94.07430	3.0
95.04974	23.3
95.08611	61.9
97.02890	9.1
97.06541	17.7
97.10182	9.7
99.04475	2.7
99.08073	3.3
105.07046	87.2
106.07403	3.8
107.04962	11.1
107.08604	53.0
109.02899	3.8
109.06533	10.3
109.10174	27.7
110.10482	4.2
111.08098	8.4
113.09628	5.0
115.05481	3.0
117.07029	30.5
119.08591	67.3
119.09382	5.0
120.08947	3.0
120.57161	2.7
121.06544	5.6
121.10150	29.2
123.08067	8.4
123.11728	8.3
125.00025	7.5
125.09644	7.4
128.06227	4.0
129.07018	20.5
131.08592	42.9
133.06461	3.3
133.10152	45.1
135.08049	8.9
135.11705	21.1
137.09651	5.7
139.11200	2.9
141.07013	7.8
143.08569	20.9
145.10133	35.7
147.08066	3.3
147.11720	28.6
149.09663	17.7
149.13286	14.3
151.11211	8.2
155.08620	10.0
157.10172	17.4
159.08092	3.3
159.11703	19.6
161.09578	3.5
161.13310	12.2
163.11223	9.4
165.12837	4.0
168.22141	2.7
169.10161	9.9
171.11691	14.0
173.13263	12.7
175.11137	4.9
175.14871	4.6
177.12726	5.7
178.12357	4.4
179.14410	5.2
181.10155	3.8
181.12289	3.5
183.11700	9.7
184.07370	21.3
185.13310	9.9
187.14859	4.7
195.11713	4.0
195.13783	4.6
197.13348	5.9
199.14836	7.9
209.13329	4.7
211.14934	4.9
223.14999	3.3
227.12782	6.4
229.14220	5.0
229.19070	3.9
237.16379	3.9
239.17860	4.2
241.19600	4.9
253.14392	9.9
254.14720	4.0
255.15758	6.8
256.62827	3.4
257.19086	14.4
259.20660	9.8
269.17459	20.3
275.17111	4.9
275.20026	34.5
276.10031	10.6
283.20416	3.5
291.19641	7.4
292.20068	4.4
293.21170	5.8
315.23019	3.7
331.22659	3.1
333.24286	12.8
335.25836	3.5
349.23837	15.3
365.23828	4.1
367.24561	3.4
449.29144	4.4
513.36005	12.9
519.22125	5.9
527.37360	10.1
543.37000	4.5
561.37665	3.9
607.43445	10.3
625.44336	9.7
628.23993	3.3
774.73846	2.9
811.41656	10.5
856.45905	5.0
857.46490	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.8
65.03944	2.4
67.05510	50.8
67.54066	0.8
69.03156	0.8
69.03441	10.3
69.07072	34.5
71.05021	4.1
73.02921	1.1
77.03944	1.2
79.05500	41.7
81.03426	11.6
81.07064	52.7
83.04990	9.4
83.08629	13.9
85.02903	3.0
85.06550	3.3
86.09695	1.0
91.05489	38.1
93.07052	40.5
95.04963	10.2
95.08615	22.3
97.02911	9.1
97.06538	12.5
97.10185	11.2
99.04471	0.9
99.08112	1.5
103.05482	1.2
105.03384	1.2
105.04549	1.1
105.07038	27.6
107.04958	9.9
107.07877	1.6
107.08605	28.0
109.02885	1.4
109.06530	5.2
109.10159	14.9
111.04440	1.2
111.08082	4.5
113.09641	1.2
115.05480	2.7
117.07022	15.2
119.06078	0.8
119.08589	20.8
119.09380	1.6
121.06533	4.9
121.10146	11.3
123.08102	5.4
123.11707	4.1
125.00026	1.1
125.09642	9.6
127.03934	1.7
127.07552	0.9
128.06207	1.1
129.05504	1.2
129.07018	6.3
130.07794	1.6
131.08582	16.7
133.06514	3.4
133.10143	21.5
135.08072	5.9
135.11693	9.2
137.09619	2.8
141.07005	2.0
143.08598	5.0
144.09271	1.0
145.06473	1.4
145.10132	10.1
147.08064	5.5
147.11707	8.4
149.09639	8.2
149.13272	8.9
151.11188	6.1
153.09062	1.6
157.10152	4.0
159.08022	1.5
159.11685	9.5
161.09602	3.7
161.13284	3.1
161.98950	0.9
163.11166	5.2
165.09219	1.5
165.12820	1.4
169.10112	2.4
169.12338	1.1
171.10272	1.2
171.11707	3.8
173.13264	3.1
175.11194	3.1
175.14735	0.9
177.12782	3.3
179.14326	1.9
181.10152	1.1
181.12318	0.9
183.11714	1.8
184.07349	3.0
185.13306	1.7
187.11182	2.1
187.14888	1.1
189.11250	4.4
189.12724	1.1
193.12195	0.9
195.11835	1.2
195.13835	4.1
197.13248	1.4
201.12762	0.9
205.12282	1.6
223.13313	17.0
227.12767	8.2
227.17911	1.2
229.19341	1.2
229.53432	1.4
239.17911	1.8
245.18930	1.9
247.20576	1.9
249.14882	3.6
251.16357	1.0
253.14415	11.3
255.15775	6.6
257.19025	4.4
263.20105	1.7
267.15921	2.0
269.17493	22.7
271.15610	1.1
273.18515	17.8
274.18713	1.0
275.20114	15.1
291.19565	100.0
292.19839	1.7
293.21133	1.3
297.94592	1.0
309.20734	1.5
313.21347	0.9
333.24457	0.9
347.22247	3.9
349.23755	12.4
365.23264	38.9
366.23688	1.1
367.24738	1.7
423.24023	0.9
461.29242	1.4
465.28882	0.9
541.35382	5.2
545.34802	13.1
559.36371	59.9
560.36694	2.2
607.59711	0.8
621.41290	1.8
639.42627	15.2
657.43439	2.8
854.44794	2.4
855.44153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27758	0.7
65.03921	2.6
66.04733	0.7
67.05509	49.8
68.05035	0.7
69.03436	11.1
69.07072	34.0
69.22630	6.6
71.05034	3.7
77.03923	1.4
79.05498	45.7
81.03426	9.6
81.07060	47.2
83.04989	9.3
83.06337	0.7
83.08621	13.0
85.02904	4.4
85.06533	2.3
91.05486	40.8
93.07049	39.5
93.07560	0.5
95.04979	12.2
95.08614	21.5
97.02901	11.1
97.06539	12.5
97.10168	12.4
99.04443	1.1
99.08100	0.8
103.05452	1.8
105.04534	1.5
105.07032	29.8
107.04959	11.6
107.08597	25.8
109.02888	0.9
109.06535	6.7
109.10156	10.6
111.04462	1.4
111.08076	4.7
115.05450	2.4
117.07027	12.3
119.04926	2.5
119.08591	22.1
121.06509	4.7
121.10143	12.7
123.04418	1.9
123.08107	4.5
123.11703	1.9
125.09640	10.9
127.03904	2.1
128.06218	1.5
129.05489	1.4
129.07014	5.4
130.07834	1.5
130.10832	0.8
131.08572	16.8
133.06479	3.6
133.10136	17.1
134.07263	1.3
135.08061	5.3
135.11688	8.0
137.09608	3.2
141.06987	1.3
142.07748	1.2
142.48930	0.7
143.08546	5.1
145.06525	1.0
145.10118	13.1
147.08049	6.6
147.11684	6.7
149.09630	9.8
149.13292	7.0
151.11163	3.1
153.09061	1.3
153.12842	1.2
155.08582	1.6
157.10106	3.9
158.35918	0.7
159.08110	2.3
159.11684	9.8
161.09616	3.4
161.13245	3.2
162.10318	1.0
163.11206	7.8
163.14763	0.8
165.09131	1.7
169.10080	1.8
169.12309	1.2
171.10315	1.2
171.11702	3.3
173.04445	1.7
173.09604	1.2
173.11859	1.7
173.13264	3.1
175.11229	2.7
177.12791	4.0
179.10684	1.8
179.14284	2.1
181.12167	1.0
183.11665	1.8
184.07356	1.0
185.13287	2.1
187.11168	2.2
187.14873	1.0
189.11237	7.4
189.12788	1.3
191.14330	1.0
193.12126	0.8
195.11996	1.1
195.13768	4.3
197.13213	1.4
203.14153	1.0
205.12285	2.0
213.16386	1.1
215.26530	0.8
223.13286	17.0
227.12775	10.6
229.19458	1.3
239.18022	1.3
245.13802	1.1
245.19038	1.7
247.20659	1.6
249.14873	3.8
251.16660	1.1
253.14328	5.0
255.15787	4.8
257.19067	6.0
263.20099	1.5
267.16025	3.0
269.17477	16.8
273.15488	1.3
273.18478	17.7
275.20059	19.6
276.09961	1.1
291.19550	100.0
292.19913	3.2
293.21143	2.2
309.20508	1.4
321.24173	1.2
331.22711	1.2
347.22153	2.3
349.23752	16.5
365.23257	38.7
367.24857	2.5
413.21866	1.7
419.24600	0.9
423.24045	1.9
461.28891	1.9
519.33063	1.2
527.33990	1.1
535.32886	1.0
541.35394	3.0
545.34698	13.1
546.34833	1.1
559.36353	48.1
560.36627	2.3
599.39673	1.3
621.41187	1.4
639.42554	22.0
640.44373	1.1
657.43854	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	854.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	9.5
65.03955	1.4
67.05511	27.6
67.72838	0.7
69.03432	6.9
69.07079	6.6
70.08150	2.6
71.05003	6.8
73.02927	2.7
79.05502	31.6
81.03426	89.7
81.07066	32.7
83.04993	18.8
83.08624	29.9
85.02915	38.3
85.03443	1.1
85.06552	2.4
91.03962	4.8
91.05489	41.6
93.07056	23.2
95.04978	38.8
95.08613	10.5
97.02895	10.1
97.06515	4.3
97.10173	5.9
99.04496	1.0
99.08097	1.6
105.04549	1.3
105.07040	25.4
107.04968	9.9
107.08617	9.0
109.06531	6.3
109.10165	3.1
111.04459	2.9
111.08088	14.2
113.06030	4.6
115.05474	2.1
117.07036	2.4
119.04977	1.3
119.08592	28.5
121.06517	3.2
121.10146	11.6
123.08096	4.3
123.11716	2.2
125.09644	2.1
127.02977	0.7
127.03915	1.8
129.07025	13.0
131.08582	17.0
132.08972	0.8
133.05641	0.9
133.06473	4.5
133.10153	14.6
135.11674	1.2
137.05957	1.2
137.09686	1.4
141.07030	1.2
142.07805	4.8
142.08789	0.7
145.05008	2.5
145.06509	1.0
145.09163	0.8
145.10158	3.5
147.08037	4.4
147.11699	19.1
149.09639	9.0
155.08630	0.9
157.10144	19.4
159.08205	0.8
163.06012	2.4
163.11214	1.4
165.12799	4.8
166.96617	0.7
175.09796	0.6
175.11200	23.2
193.12262	62.1
199.02757	0.7
211.13312	91.6
212.13678	1.8
249.14926	2.5
267.15936	49.2
268.16278	1.5
273.15002	1.2
285.16989	89.5
286.17218	1.1
349.21701	1.0
367.22867	3.1
385.23807	4.9
403.24939	2.2
405.72137	0.7
433.25873	2.1
441.26328	2.4
459.27444	32.7
460.27856	1.2
462.22934	0.8
475.25403	0.9
477.28543	37.6
478.28998	1.8
495.29602	100.0
496.29953	4.4
556.00385	1.0
639.33716	1.3
726.99957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	14.7
64.34003	2.1
65.03945	2.7
67.05509	86.1
67.98082	2.0
69.03434	13.2
69.07071	23.5
69.51267	16.4
71.01328	3.6
71.04996	9.0
73.02911	8.7
79.05026	2.0
79.05494	52.4
81.03422	23.2
81.07061	95.7
83.04986	16.1
83.08631	20.2
85.02901	25.2
85.06566	4.9
87.04440	3.2
91.03967	9.5
91.04912	3.3
91.05484	44.8
91.38773	2.3
93.07051	58.5
95.04977	15.0
95.08620	23.2
97.02892	11.9
97.06543	15.4
97.10173	18.2
99.08125	3.5
105.07018	16.9
107.04959	7.6
107.08599	35.8
109.06524	4.6
109.10160	18.9
111.04494	3.3
111.08083	9.9
113.09641	2.4
116.04710	7.1
117.07017	14.3
119.08601	16.9
121.06507	6.5
121.10137	17.7
123.08068	5.2
123.11709	3.9
125.09616	18.3
127.03894	4.7
129.05464	19.8
129.07019	6.0
131.08524	14.6
133.10133	18.9
135.08018	5.7
135.11699	9.6
143.07045	5.6
143.10677	2.9
145.04994	5.0
145.10114	6.7
147.08113	2.6
147.11679	6.2
149.09683	3.9
149.13243	25.3
151.11171	3.1
153.09087	3.3
153.12848	3.9
157.08611	6.4
157.10094	5.4
159.11707	13.1
163.06046	3.3
163.11186	9.0
171.57597	2.5
173.11807	5.3
175.11238	4.5
177.12741	7.9
189.11214	4.3
191.10558	3.6
193.12291	6.3
195.13783	15.7
199.13319	16.9
209.11728	5.7
211.13289	7.0
213.14989	4.0
227.12831	5.3
254.23747	2.3
267.15979	10.5
269.17487	78.3
283.15381	13.6
285.17038	3.5
301.16510	37.9
393.26263	7.7
411.27481	21.0
423.27426	46.5
424.27164	3.0
449.29047	3.3
459.27612	4.0
461.28918	7.3
477.28436	26.2
478.29282	5.6
495.29575	100.0
496.30362	4.6
612.19208	2.4
621.32654	5.4
639.33545	6.8
645.21271	2.6
655.02283	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	852.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77554	0.5
61.02935	5.9
61.08257	0.5
65.03930	1.2
67.05508	27.0
69.03408	1.4
69.07069	10.7
69.15767	0.5
71.01335	2.4
71.04957	2.0
71.08634	12.5
71.50422	0.9
72.28617	0.6
73.02887	1.5
79.05495	22.7
81.03424	4.2
81.07056	18.3
83.04977	5.1
83.08612	5.4
85.02914	6.8
85.06512	2.3
85.09739	0.6
85.10184	8.1
89.06010	1.1
91.03986	4.5
91.05485	9.4
93.07046	26.5
95.04944	2.1
95.08607	12.2
97.02897	4.3
97.06538	6.4
97.10173	9.0
99.04400	0.7
99.08070	1.4
103.07559	0.9
105.04480	0.6
105.07006	1.9
107.04950	0.9
107.07912	1.0
107.08599	18.9
109.06461	1.0
109.10157	6.7
111.08061	1.3
111.11695	0.8
117.07024	3.6
117.78285	0.6
119.08591	3.3
121.10164	4.4
123.11663	1.8
125.09569	1.1
127.03876	1.6
130.07672	0.6
131.08549	0.5
133.10110	2.3
135.08055	1.1
135.11696	34.5
137.13252	0.5
145.04968	1.1
145.10138	5.7
153.12686	1.5
159.01741	0.5
163.06052	2.7
163.11166	4.4
181.12242	7.2
184.07346	1.4
199.13281	0.7
211.65109	0.6
227.12764	0.5
239.23653	1.1
255.15915	100.0
256.16229	1.6
257.24759	0.7
303.31488	0.6
313.27374	44.6
314.27740	1.3
335.25763	1.2
349.23923	0.7
405.91431	0.6
493.38895	78.1
494.38849	2.9
609.45343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.1
61.98962	0.6
63.31059	0.6
64.16155	0.7
65.03935	1.1
67.05184	1.3
67.05508	15.0
69.03433	3.2
69.07075	4.2
71.05006	3.8
73.02908	2.3
79.05497	17.3
81.03420	33.9
81.07063	16.1
83.01340	3.7
83.04996	10.7
83.08157	1.2
83.08623	14.5
85.02908	17.2
85.06558	1.3
91.03944	4.4
91.05491	16.9
93.07048	14.5
95.04974	14.4
95.08605	6.2
97.02893	6.5
97.06505	3.5
97.10169	2.9
99.04463	1.3
99.08092	1.1
105.07036	11.9
107.04957	7.1
107.08607	9.3
109.06524	6.4
109.10146	2.3
111.04470	1.9
111.08096	6.0
113.06042	1.1
115.80379	0.6
117.07045	4.8
119.08593	12.2
119.44047	0.8
121.06482	1.8
121.10155	6.5
123.08083	4.9
125.06033	1.3
125.09615	1.0
127.03934	1.6
129.07022	5.9
131.08556	6.6
133.06552	1.3
133.10135	5.8
135.08032	1.3
135.11696	5.5
136.00340	0.6
137.09607	1.2
142.07822	1.2
144.08069	1.0
145.05000	1.8
145.10141	7.8
147.08046	2.4
147.11713	6.6
149.09615	3.1
153.12825	1.3
157.10149	5.8
163.06047	2.2
163.11195	11.9
165.12802	1.3
173.09642	1.8
175.11201	7.8
181.12259	1.6
183.00211	0.7
185.73451	0.8
191.10727	1.5
193.12270	19.0
209.11714	3.7
211.13301	30.1
227.12872	2.0
265.14395	1.0
267.15964	8.4
283.15417	40.0
285.16998	26.2
353.27780	0.7
383.22281	2.2
401.23087	0.9
457.26105	3.4
475.27036	17.0
493.27988	100.0
494.28406	4.8
557.90509	0.7
637.32526	1.3
687.58838	0.8
820.35474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.6
61.02926	12.9
65.03944	4.0
67.05505	100.0
69.03433	3.7
69.07069	9.6
71.04990	4.7
71.08633	1.7
71.49152	1.5
73.02907	4.1
79.05494	26.5
81.03409	3.4
81.07059	43.7
82.36806	1.0
83.04975	1.1
83.08627	10.6
85.02908	14.6
85.06529	2.8
86.09703	3.5
91.03948	8.2
91.05485	17.3
93.07047	28.0
95.04990	2.7
95.08611	33.3
97.02892	7.9
97.06532	1.3
97.10159	2.1
99.61855	1.0
105.07030	9.6
107.08594	18.1
109.02903	1.5
109.06534	1.4
109.10158	81.5
110.10451	1.7
111.08084	3.2
113.09575	1.1
115.03892	1.1
117.07026	4.2
119.08585	14.6
121.10149	12.9
123.04451	1.1
123.08047	1.7
123.11719	4.1
124.99990	2.0
125.09651	2.9
127.03888	5.1
131.08586	6.2
133.10115	6.9
135.11690	11.7
137.09619	3.7
137.13306	1.5
143.08603	1.1
145.04941	3.9
145.10095	6.1
146.09677	1.3
147.11682	5.9
149.13254	7.3
151.11180	1.3
155.08694	1.0
155.10661	5.6
159.11731	5.0
161.13243	3.2
163.06094	4.5
163.14832	3.5
173.11751	19.6
173.13269	3.9
184.07355	12.1
187.14854	2.1
189.11240	1.7
192.38736	1.2
207.93735	1.0
227.12837	6.8
229.14354	96.8
230.14828	2.0
243.21072	4.8
261.22098	24.1
279.23450	1.0
291.19586	1.6
314.27798	1.0
317.24707	3.2
335.25803	81.1
336.26193	2.6
377.26685	1.1
397.30994	1.4
415.32309	1.6
431.09189	1.2
471.34586	2.5
489.35754	75.0
490.36035	3.8
507.36859	7.2
526.46057	1.0
546.25525	1.1
633.39203	1.3
768.29584	1.0
848.51752	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.0
61.02926	10.8
62.76019	0.7
65.03944	2.4
67.05505	100.0
68.05842	0.8
69.03432	3.3
69.07065	8.4
69.34351	6.8
71.04991	3.4
73.02918	4.2
79.05493	24.7
81.03426	2.4
81.07055	41.0
82.07423	0.9
83.04996	1.8
83.08625	8.8
84.66558	0.7
85.02911	12.6
85.06560	3.3
86.09715	2.4
91.03951	9.3
91.05478	16.8
91.06021	1.3
93.07043	28.7
93.91236	0.7
95.04971	2.2
95.08608	29.0
95.94641	0.7
96.08971	0.7
97.02891	7.9
97.06560	0.7
97.10182	2.3
98.20974	2.6
98.21546	0.7
99.04494	1.6
105.04529	1.9
105.07020	8.7
107.08591	15.4
109.02879	1.7
109.06517	1.2
109.10159	75.2
109.30139	0.7
111.08079	3.7
113.09671	0.8
117.07013	4.6
119.08587	11.7
121.10154	14.0
123.11713	4.3
125.00050	1.4
125.09719	1.3
127.03925	3.7
131.08588	6.4
133.10120	5.5
135.08057	0.8
135.11691	10.0
137.09637	4.5
137.13300	1.8
145.04959	3.8
145.10126	5.6
147.11736	3.8
149.13272	5.0
155.10657	5.9
159.11697	4.0
161.13298	2.9
162.24693	0.8
163.06035	5.4
163.14857	2.5
171.11760	0.9
173.11761	19.7
173.13310	3.1
175.14931	2.3
177.16519	0.9
184.07359	7.4
187.14861	2.1
189.11255	1.5
212.11717	0.7
227.12778	6.3
229.14349	93.8
230.14795	1.6
243.21075	7.2
259.09308	0.7
259.20654	1.4
261.22125	21.6
261.24792	1.1
271.41132	0.8
277.45059	0.7
291.19681	1.1
304.09357	0.8
317.24551	3.9
335.25806	76.6
336.26208	2.7
379.30084	1.7
397.30920	1.7
415.32217	1.1
457.79221	0.9
471.35007	2.6
489.35754	73.6
490.36090	3.8
495.16797	1.0
507.36792	7.4
508.36649	1.0
698.15704	1.0
738.54974	0.8
849.47168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	1.1
61.02930	4.2
63.30429	0.6
65.03937	0.9
67.05505	6.9
69.03436	2.8
69.07066	2.9
71.05003	1.2
71.07364	1.7
71.49996	1.0
73.02924	4.3
77.80016	0.6
79.05490	7.1
80.76382	0.7
81.03419	3.5
81.07053	7.5
82.21420	0.6
83.04995	1.6
83.08620	1.3
85.02919	5.0
86.09711	8.4
91.03947	3.0
91.05479	5.7
93.07040	6.6
95.04987	1.0
95.08610	3.8
95.13153	0.7
97.02904	5.3
97.06565	0.9
98.98489	1.2
99.04500	0.9
101.02396	2.0
105.07020	4.4
107.08602	2.7
109.02882	0.6
109.10120	1.6
117.07069	1.4
119.08587	3.6
121.10188	1.9
123.08065	0.7
124.99989	6.1
127.03938	2.2
129.05476	0.7
131.08572	1.1
133.10156	2.4
135.11705	2.3
145.10165	1.3
147.11711	1.9
149.09570	0.6
159.11711	1.0
161.13283	0.8
163.11250	0.9
184.07344	23.2
185.04173	0.7
185.07777	2.1
209.11916	0.8
243.08369	3.8
301.08969	1.6
313.27618	0.7
333.20239	3.3
341.12167	0.7
414.34763	0.7
439.19803	0.8
453.21146	1.4
469.20410	1.1
509.83170	0.7
535.28711	8.5
551.28345	6.1
623.30579	1.3
637.32892	0.7
745.40784	0.7
845.50183	100.0
846.50696	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	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.3
66.30106	0.3
67.05508	3.6
67.65774	0.3
69.03430	2.4
69.07071	2.1
71.05011	0.4
73.02914	2.9
77.27230	0.3
79.05499	4.3
81.03432	1.7
81.07059	4.3
83.04993	0.8
83.08659	0.6
85.02913	3.0
85.06564	0.4
86.09705	1.6
87.04520	0.4
91.03961	1.8
91.05495	3.8
93.07045	4.9
95.04974	0.8
95.08609	2.7
97.02905	4.0
97.06549	0.6
97.10233	0.4
99.04497	0.6
101.02401	1.1
105.07037	2.8
107.04988	0.4
107.08598	2.3
107.11764	0.3
109.02912	0.5
109.06539	0.4
109.10145	0.9
112.02893	0.3
117.07052	1.1
119.08560	2.1
120.74919	0.3
121.10175	1.4
123.08078	0.4
125.00059	0.8
127.03972	1.2
129.06993	0.4
131.08601	1.4
133.10133	2.0
133.10979	0.3
135.11723	1.1
143.08594	0.7
145.10147	1.2
147.11716	1.2
149.13313	0.4
157.10091	0.4
159.11700	0.8
175.14803	0.3
184.07349	5.1
184.08818	0.4
185.04243	0.6
185.07817	0.5
201.03819	0.4
201.94591	0.3
203.05313	0.4
243.08461	2.6
259.20624	0.6
271.71750	0.3
275.19812	0.4
276.75504	0.3
301.08908	1.7
313.09250	0.4
313.27399	0.4
315.10553	0.7
333.20361	2.5
369.15384	0.4
373.10861	0.4
373.23804	0.5
389.23102	0.7
397.18494	0.4
399.41940	0.3
429.17648	0.4
439.19662	0.6
453.20972	0.7
465.21143	1.0
469.20718	0.4
535.28839	5.8
541.22424	0.4
551.28302	5.8
623.30273	0.7
778.52887	0.4
845.50214	100.0
846.50507	8.3
846.65759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	6.5
61.02920	0.1
61.26830	0.2
67.05508	1.5
69.03429	0.3
69.07081	0.4
69.49419	0.2
70.02519	0.1
71.07379	3.7
71.48794	0.2
79.05495	0.8
79.79250	0.2
81.03430	0.3
81.07059	1.3
83.08617	0.4
85.02908	0.2
86.09708	32.7
87.10048	0.4
91.05491	0.7
93.07038	0.8
95.04971	0.2
95.08607	0.9
97.02904	0.2
97.10183	0.2
98.98470	3.8
101.44713	0.2
104.10755	2.7
105.07039	0.4
107.08610	0.6
109.10180	0.5
117.07029	0.3
119.08590	0.5
121.10175	0.3
123.11697	0.2
125.00008	21.6
131.08519	0.2
133.10132	0.2
135.11652	0.2
143.01088	0.2
145.10208	0.3
146.09628	0.4
147.11641	0.2
152.79622	0.2
163.11288	0.2
184.07346	100.0
185.07768	1.0
185.09148	0.2
269.17404	0.2
275.20090	0.2
276.09756	0.2
291.19409	0.2
304.09515	0.2
337.27271	0.7
349.23587	0.2
531.39990	0.4
611.45978	0.3
629.47040	0.2
728.48767	1.4
746.41351	0.5
747.42438	0.4
768.50647	0.2
776.52203	0.2
794.52985	1.0
808.54651	0.2
812.53363	0.3
826.55054	0.2
844.47406	1.0
844.55994	1.1
845.49683	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	0.8
61.02925	3.8
65.93658	0.5
66.06266	0.6
67.05518	5.8
67.51927	0.6
69.03425	3.6
69.07066	1.5
73.02909	3.7
76.79028	0.6
79.05499	4.5
81.03429	1.8
81.07057	6.0
83.04977	0.6
83.08627	1.1
85.02910	4.6
86.09714	3.0
91.03970	2.7
91.05472	4.8
93.07061	6.0
95.04991	1.6
95.08624	3.4
97.02891	4.4
97.06585	0.9
99.04415	0.7
101.02415	1.1
105.07053	3.7
105.45588	0.7
107.08599	3.9
109.06549	1.2
109.10221	1.9
115.03918	0.9
117.07090	1.3
117.61172	0.6
118.78896	0.6
119.08598	3.2
121.10198	1.1
125.00011	1.5
127.03912	0.9
131.08646	1.0
133.10129	3.8
135.11746	0.7
145.10178	1.0
146.09612	0.7
147.11719	1.1
151.11249	0.9
157.10081	0.9
159.11751	0.9
159.53128	0.7
184.07355	10.3
232.85583	0.6
243.08310	3.1
290.08063	0.9
301.09018	1.3
313.17819	0.9
315.10617	1.3
331.18729	3.0
343.58627	0.7
451.19427	1.2
465.20807	0.9
531.25745	2.1
535.28839	8.4
549.26801	3.3
745.41516	2.6
825.47607	10.7
843.48639	100.0
844.48865	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08178	0.6
61.02929	2.6
67.05510	5.3
69.03442	2.0
69.07063	3.4
71.05005	0.8
71.33707	1.0
73.02940	2.9
79.05496	4.7
81.03431	2.7
81.07057	5.9
81.30849	0.5
83.04987	1.3
83.08630	1.0
85.02915	3.4
86.09709	4.2
87.04424	0.5
91.03959	1.9
91.05492	3.8
93.07046	3.6
95.01385	0.5
95.04976	1.9
95.08619	3.5
97.02892	2.8
97.06534	1.1
97.10155	0.5
98.98505	1.0
99.04473	0.6
101.02396	1.8
105.07030	4.4
107.04951	1.0
107.08627	2.0
109.06537	0.5
109.10184	1.1
113.82685	0.5
117.07035	1.5
119.08598	2.7
121.10169	1.4
125.00005	3.7
125.20434	0.5
127.03896	1.1
131.08604	1.4
133.10167	1.7
135.11714	1.9
145.10168	1.7
147.11710	0.9
151.11209	0.5
159.11812	0.5
161.13300	0.7
163.11159	0.6
184.07343	14.5
185.07774	1.7
196.82817	0.5
243.08427	2.5
275.20090	0.7
315.19312	2.8
333.20477	1.3
355.22021	0.5
371.21991	1.2
439.19455	1.1
453.21213	0.9
533.27252	6.8
551.28296	6.4
644.08423	0.7
681.44391	0.6
843.48645	100.0
844.49042	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	842.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.5
67.05511	32.5
69.03426	4.0
69.06735	0.8
69.07073	12.1
69.23513	0.5
71.04984	2.8
71.08591	0.7
71.30379	0.6
71.49630	0.7
72.37440	0.6
73.85725	0.6
77.03923	1.2
79.05502	43.5
81.03433	7.4
81.07066	57.5
83.04984	6.9
83.08626	23.0
84.16542	0.6
85.02908	1.1
85.06554	1.8
86.09703	1.8
91.05490	37.0
93.07053	34.2
93.07583	0.7
95.01317	1.0
95.04982	22.6
95.08620	17.4
95.98572	0.7
97.06537	5.1
97.10180	12.3
99.04482	1.0
99.08102	1.2
102.02496	0.6
103.05484	1.5
105.04524	1.7
105.07041	30.4
107.04971	17.0
107.08601	18.1
109.05798	0.9
109.06525	12.0
109.10159	8.6
111.04461	3.9
111.08111	5.4
115.05453	1.8
116.06210	0.9
117.06237	1.0
117.07030	17.7
118.37995	0.6
119.04950	1.0
119.08594	32.7
121.06516	8.4
121.10152	11.2
123.04421	1.1
123.08085	8.7
123.11707	1.3
125.00043	1.6
125.09649	9.6
127.07477	0.7
128.06252	1.9
129.07005	9.8
130.07819	1.5
131.04903	1.3
131.08582	16.6
132.94118	0.6
133.06491	2.6
133.10152	13.2
135.08067	8.6
135.11710	7.5
137.09593	3.8
139.11159	1.7
141.06935	1.5
141.50508	0.6
142.07793	1.0
143.08574	7.9
145.06522	2.5
145.10133	20.9
146.09598	0.8
147.08067	12.2
147.11697	17.3
149.09637	14.6
149.13283	2.2
151.11188	3.0
153.09140	3.8
153.12769	2.4
154.07756	0.8
155.08533	2.8
157.06462	1.0
157.10164	6.2
159.08040	2.5
159.11690	8.9
160.12201	0.6
161.09631	7.5
161.13269	4.3
163.11200	17.8
165.09177	2.9
165.12798	3.4
167.08682	0.8
169.10205	2.9
171.10292	1.0
171.11684	11.6
173.09660	5.5
173.11911	0.7
173.13258	3.1
175.11185	5.1
177.12758	2.0
179.14236	0.8
181.10231	1.3
181.12268	1.9
183.11711	2.5
184.07346	5.2
185.13261	2.3
187.11212	2.3
187.14838	0.8
189.11215	7.5
189.12776	5.7
191.10664	4.1
191.14328	1.5
193.12164	1.1
195.11650	1.3
197.13263	1.8
199.11256	1.2
199.14726	0.6
202.15910	1.1
203.14452	1.1
205.12222	1.7
207.13834	18.3
209.11728	1.7
211.14929	0.9
213.12828	1.4
213.16371	1.7
223.13289	7.4
225.14902	0.8
227.12767	3.0
227.17969	1.8
229.19507	2.3
237.16502	1.0
239.18036	4.2
245.19006	2.6
249.14848	3.5
249.18633	0.7
255.17470	4.1
257.19003	8.5
273.18506	28.8
275.20090	51.2
276.20380	1.6
278.08173	0.7
291.19568	100.0
292.19885	2.2
293.21152	17.5
309.20554	5.5
437.30133	1.0
445.29639	0.6
455.31699	1.5
461.93634	0.6
529.37518	0.8
547.37933	2.8
565.38763	5.0
583.40137	3.3
601.40869	2.3
843.45648	1.2
863.77814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.0
67.05509	35.9
69.03444	2.9
69.07079	13.5
71.04987	2.5
79.05499	41.5
81.03447	10.1
81.03844	2.5
81.07060	59.0
83.04974	8.5
83.08627	22.3
89.05971	1.9
91.05489	37.0
93.07047	37.6
93.61832	1.7
95.04979	34.9
95.08616	17.4
97.06538	5.3
97.10186	10.4
105.07049	30.7
107.04964	16.1
107.08606	23.6
108.85641	1.7
109.06522	13.4
109.10155	8.8
111.04471	2.7
111.08091	6.7
117.07015	14.7
119.08575	28.2
121.06543	9.1
121.10149	12.3
123.08078	12.2
125.09650	12.0
125.22436	1.6
126.43395	1.8
129.07042	9.8
130.07872	1.8
131.08585	18.2
131.20390	1.6
133.06551	3.7
133.10153	13.5
135.08064	6.8
135.11722	10.1
137.09641	4.7
143.08585	7.7
145.10146	24.3
147.08113	10.1
147.11729	14.6
149.09644	21.6
151.11269	3.0
153.09125	2.4
155.08600	3.7
157.10185	6.1
159.11693	10.5
161.09630	9.0
161.13306	8.0
163.11211	21.4
165.09132	2.0
165.12775	3.3
169.10110	4.1
170.97339	1.8
171.11684	18.8
173.09639	5.0
173.13275	2.3
175.11200	6.2
177.12778	4.1
183.11739	3.4
184.07381	7.3
185.13315	3.1
187.11183	2.9
189.11226	7.4
189.12794	12.2
191.10695	4.3
197.13301	1.9
201.16403	1.9
205.12303	3.1
207.13831	16.1
223.13292	23.4
227.12897	2.7
237.16451	2.9
239.17981	4.6
247.20654	2.7
249.14911	3.4
257.18951	5.4
261.53094	1.9
273.18524	28.8
275.17300	3.6
275.20099	43.2
275.22723	1.5
277.21317	1.9
283.26239	2.1
289.17950	2.0
290.18884	4.6
291.19568	100.0
292.20068	2.0
293.21164	32.1
309.20605	6.6
311.97366	2.2
315.19980	2.2
334.55667	1.8
412.58804	1.9
457.24722	1.9
497.32904	2.3
565.38715	2.6
583.39777	5.4
805.88794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07895	0.4
60.08168	5.9
61.02909	0.8
65.03925	1.6
67.05507	22.9
69.03423	0.9
69.06737	0.5
69.07076	7.5
69.13249	4.7
71.04984	0.9
71.07382	3.7
71.08614	0.5
79.05498	16.6
81.03405	1.4
81.07062	23.2
83.04972	1.3
83.08212	0.5
83.08624	5.0
84.08112	0.4
85.02904	0.8
85.06539	0.5
85.07650	0.5
86.09711	33.8
91.03974	0.6
91.04909	0.7
91.05484	11.4
93.07050	16.6
93.07645	0.9
95.04996	1.9
95.08610	14.4
97.02891	0.9
97.06516	3.0
97.10178	2.2
98.21477	0.8
98.98464	3.7
99.08086	0.8
104.10757	2.4
105.04509	0.4
105.06407	0.6
105.07044	8.2
107.04935	1.3
107.07430	0.5
107.08607	10.1
109.06512	1.7
109.10166	8.8
111.08085	1.3
115.02966	0.4
117.07008	3.5
119.08596	5.9
121.06530	0.7
121.10152	6.6
123.08073	1.2
123.11713	2.2
125.00014	22.3
125.09623	1.6
129.06979	0.9
131.08577	5.2
133.10147	5.4
135.08035	1.1
135.11696	3.6
137.09639	0.9
143.08537	0.9
145.10159	3.1
147.11714	3.7
149.09607	1.6
149.13283	3.0
155.08589	0.7
157.10110	1.0
159.11728	2.7
161.13272	1.6
163.11182	1.3
163.14798	0.9
165.12805	1.0
167.14391	0.4
169.10091	0.5
171.11740	0.7
173.11848	0.7
173.13264	2.1
177.12767	0.9
184.07352	100.0
185.07710	0.8
187.14883	1.1
189.11267	0.8
195.13841	0.6
199.14832	0.8
199.37494	0.4
199.86552	0.5
200.10536	0.4
201.16374	0.6
227.12781	1.3
229.14395	4.2
239.18031	0.7
243.12752	0.4
243.21144	0.7
245.13783	0.8
257.19006	1.1
261.22153	2.3
267.16013	0.6
268.87466	0.5
269.17490	6.4
275.20059	5.6
293.21188	1.5
304.09235	0.5
333.24026	0.5
335.25821	21.6
336.26108	0.9
349.23746	4.4
365.33627	0.4
367.24802	3.0
489.35623	3.5
515.37512	0.5
517.40198	0.5
529.38904	12.7
530.39032	0.6
535.41974	0.5
569.41821	0.9
604.77734	0.4
605.43134	0.5
609.45258	6.1
627.46161	4.4
628.45721	0.6
704.41968	0.4
706.58911	0.4
726.46558	1.0
792.51129	0.7
810.52228	0.6
842.47211	1.8
843.48541	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	842.56
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	6.1
61.02912	0.7
65.00811	0.4
65.03934	0.4
67.05506	11.5
69.03412	0.5
69.07065	2.6
70.44789	0.3
71.04948	0.3
71.07372	3.7
71.08613	0.6
71.50073	0.5
79.05492	7.5
80.05832	0.4
81.03394	1.1
81.06597	0.6
81.07057	11.2
83.04983	0.7
83.08604	2.9
85.02884	0.8
85.06541	0.5
86.09708	32.7
86.69003	0.3
91.05475	5.5
93.07047	8.0
95.04956	0.9
95.08060	0.6
95.08613	7.0
97.02863	0.4
97.06534	1.3
97.10162	3.2
98.98469	4.3
104.10741	2.7
105.07033	3.9
107.04939	0.5
107.08593	5.3
109.06510	0.8
109.10156	4.0
111.08109	0.5
111.75064	0.4
113.66808	0.3
117.07024	1.8
119.08572	3.0
121.06523	0.3
121.10144	3.7
123.11691	1.0
125.00005	21.0
125.09623	3.2
129.07008	0.5
131.08572	2.2
133.10135	3.0
135.08058	0.9
135.11707	2.2
145.10133	1.7
146.09602	1.1
147.11708	1.7
149.09636	0.7
149.13228	1.5
153.09059	0.4
157.10098	0.5
159.11726	1.5
161.13286	0.7
163.11147	0.6
169.10065	0.5
171.11710	0.6
173.13246	1.1
179.70139	0.3
183.11563	0.4
184.07343	100.0
185.07701	0.6
189.11206	2.0
193.33321	0.4
227.12769	4.3
229.14357	1.3
243.21165	0.7
244.07269	0.6
245.13895	4.7
259.20715	0.4
261.22156	1.5
269.17429	2.2
275.20004	2.6
285.00287	0.3
293.21082	0.5
304.09503	0.8
313.27417	3.2
335.25781	12.0
336.26230	0.7
349.23633	1.8
367.24670	1.5
384.07645	0.4
460.96924	0.3
483.36752	2.4
489.35660	1.0
529.38940	8.1
530.39020	0.4
606.63129	0.4
609.36420	0.4
609.45276	4.7
627.46210	2.6
726.46692	1.2
792.51031	0.7
842.53986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.1
67.05147	4.8
67.05508	97.5
68.03496	2.6
69.03416	9.1
69.07068	32.7
70.94188	4.7
70.94534	5.6
71.04995	7.2
73.91181	3.0
79.05496	86.2
81.03437	15.6
81.07060	100.0
83.04973	12.6
83.08616	16.2
85.02901	3.8
85.06535	3.8
86.09694	4.3
86.13554	2.9
87.04482	3.3
91.05488	96.5
93.06489	5.6
93.07050	93.0
95.04961	13.0
95.08607	55.5
97.02902	6.5
97.06532	18.7
97.10176	8.6
99.08031	3.0
105.07035	90.3
107.04983	5.5
107.08601	52.5
109.06533	7.5
109.10155	21.8
111.08096	6.5
112.60695	3.3
115.05444	5.9
117.07030	36.3
118.07303	3.2
119.08591	67.5
121.06450	4.3
121.10143	33.6
123.08062	7.5
123.11689	10.4
128.06258	3.5
129.06979	21.7
131.08583	49.9
133.10143	52.4
135.07985	7.9
135.11708	26.0
137.09628	4.4
141.06967	9.0
142.07765	5.3
143.08556	16.5
145.10132	29.4
147.11708	31.1
149.09607	10.3
149.13293	15.3
155.08565	10.7
157.10167	18.4
159.11684	35.3
161.09575	4.0
161.13307	16.5
163.11153	11.0
165.12714	4.5
167.08588	5.5
169.10115	12.0
171.11732	17.1
173.13260	17.4
175.14893	5.1
177.12753	5.2
181.10179	4.9
181.12143	2.9
183.11736	4.5
184.07324	11.3
185.13307	9.7
187.14882	4.8
189.12817	3.1
195.11679	3.4
195.13806	4.8
197.13342	6.6
199.14816	8.7
201.16452	3.4
209.13208	6.2
211.14746	3.1
213.16418	3.2
221.13229	3.8
239.18091	4.7
241.19456	16.9
253.14322	3.6
255.15796	14.4
257.18979	5.1
259.20609	39.8
267.16006	4.1
269.17450	17.4
275.20273	14.4
277.21423	3.1
291.19476	4.7
315.23383	5.4
333.24265	29.0
335.25946	4.6
349.23727	7.5
417.31503	4.8
435.32529	9.0
453.33502	4.7
471.34460	6.4
509.36075	5.9
513.35907	16.0
527.30316	4.6
527.37408	54.0
533.39838	3.9
545.38129	10.8
581.49579	3.4
607.43134	18.2
625.44598	19.7
833.93048	3.4
866.45264	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.0
65.03932	6.1
67.05504	88.7
69.03413	7.0
69.07069	38.2
69.13490	4.4
69.13893	24.0
71.04974	6.9
73.02922	2.5
79.05493	87.5
79.72828	2.2
81.03410	12.1
81.07057	100.0
83.04971	12.3
83.08614	17.7
85.02887	5.9
85.06523	3.8
86.09695	3.1
87.71392	2.5
91.05481	94.2
93.07040	80.0
95.04955	12.5
95.08604	58.3
97.02898	5.9
97.06512	12.8
97.10150	9.4
99.04422	2.4
99.08073	3.3
103.05441	4.6
105.04507	3.2
105.06316	4.1
105.07029	82.3
107.04935	9.9
107.08588	52.7
109.06524	8.9
109.10155	24.6
109.54321	2.2
111.08056	5.8
113.09612	2.7
115.05426	5.8
117.07018	34.0
119.08587	63.2
121.06464	5.0
121.10147	37.8
123.08071	3.5
123.11704	7.2
124.99987	4.0
125.09587	7.5
128.06184	5.1
129.07025	16.4
130.07797	4.0
131.08563	48.6
133.06525	3.4
133.10126	46.4
135.07965	3.1
135.11694	22.6
137.09569	4.5
137.13167	2.9
141.06926	3.8
142.07771	7.0
143.08548	24.0
145.10127	33.0
147.08018	3.7
147.11685	36.7
149.09593	7.3
149.13268	14.0
151.11150	2.9
155.08582	13.7
156.09325	2.7
157.10092	16.7
159.07941	2.4
159.11673	28.8
161.13254	22.3
163.11162	9.1
165.12584	2.7
169.10097	16.0
171.11699	18.2
173.13229	14.0
175.11122	3.6
175.14813	8.2
177.12794	3.6
181.10077	8.7
183.11751	13.8
184.07344	9.4
185.09685	2.3
185.13187	21.9
187.11287	2.9
187.14839	5.1
189.12675	3.0
195.11679	4.6
195.13759	5.0
197.13246	9.7
199.14845	7.5
207.11687	4.3
209.13269	3.8
211.14763	3.9
213.16359	6.3
215.17899	3.4
223.14868	3.6
225.16374	2.8
227.12737	2.4
231.20950	2.7
237.16402	3.4
239.18008	3.5
241.19586	14.8
253.14136	3.7
255.15875	8.2
257.19046	9.0
259.20535	38.4
265.56299	2.5
267.15973	3.4
269.17432	16.7
273.18732	2.8
275.20078	15.3
297.21939	3.7
308.81342	2.6
315.23193	5.5
331.22528	3.0
333.24261	42.7
337.25583	2.9
349.23703	7.7
367.25009	4.8
417.30884	3.2
435.32425	7.3
445.29929	2.9
453.33386	4.4
489.35037	3.0
491.34552	3.1
501.35733	3.1
509.36038	3.4
513.35779	19.9
513.63031	2.5
515.37933	4.2
525.35852	2.7
527.37335	37.7
531.36694	3.1
533.40265	2.8
545.37799	5.2
551.39648	2.8
597.44116	2.5
607.43329	29.5
625.44489	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	6.2
65.03938	2.4
67.05505	59.6
69.03433	4.7
69.07072	23.9
71.04997	3.3
71.07362	4.4
71.49947	2.5
72.45082	2.5
79.05494	49.8
81.03417	4.8
81.07057	62.0
83.04988	8.2
83.08634	10.8
85.02909	6.3
85.06538	5.1
86.09711	37.0
91.05481	67.9
91.06030	5.0
92.53909	3.1
93.07042	57.1
93.27888	2.5
95.04971	9.0
95.08613	34.3
97.02859	4.5
97.06533	8.8
97.10181	4.2
98.40912	2.8
98.98474	4.1
103.05503	2.9
104.10764	3.8
105.07032	49.8
105.07693	3.9
107.04952	4.3
107.08588	36.3
108.54780	2.6
109.06496	5.7
109.10157	18.4
111.08054	3.9
115.59805	3.1
117.07022	22.9
119.08578	40.3
120.08167	4.1
121.06541	4.0
121.10132	27.3
123.08058	4.6
123.11707	6.3
124.99999	22.8
125.09608	3.3
127.92732	2.7
128.11079	2.9
129.07005	11.6
131.08577	33.6
133.10127	33.7
134.60754	2.7
135.08022	2.8
135.11708	16.3
137.09624	2.8
141.06961	3.1
142.07765	4.2
143.08600	16.9
145.10138	29.9
146.09671	13.0
147.08128	4.3
147.11694	22.9
148.74263	2.7
149.09657	5.9
149.13254	8.5
155.08537	5.2
157.10149	11.4
159.11685	14.0
161.13283	15.3
163.14859	3.6
169.10173	7.9
171.11673	12.9
173.09608	2.9
173.13254	9.9
177.12709	2.6
178.12282	12.0
179.08559	3.2
181.10118	3.0
183.11710	6.5
184.07349	100.0
185.13258	11.6
187.14894	3.2
189.12680	3.3
195.11720	4.7
197.13261	8.0
199.14906	4.5
209.13330	4.5
223.14877	3.0
227.12851	3.4
231.21146	3.3
235.17200	3.3
241.19453	9.6
255.15910	4.9
257.19073	4.9
259.20633	24.1
260.43002	2.9
269.17599	8.7
275.20087	18.4
276.09976	26.8
276.20361	4.5
333.24258	26.4
335.25897	4.9
337.14355	3.1
349.23703	9.9
389.28195	2.6
435.32104	4.2
513.35980	7.3
515.38171	3.1
527.37292	18.0
553.38666	4.4
567.40216	4.4
607.43835	20.6
625.44177	17.4
754.43298	3.1
777.38300	2.8
840.46179	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	3.8
65.03924	3.8
66.48431	2.7
66.90321	2.6
67.05507	67.9
69.03411	8.0
69.07067	21.4
71.04974	5.7
71.07384	3.0
71.49989	4.3
79.05495	68.7
81.03403	4.9
81.07052	62.2
83.04971	6.8
83.08620	25.7
85.02914	4.0
85.06547	3.5
86.09711	24.2
91.05480	64.5
93.07047	59.6
95.04971	7.7
95.08604	43.9
97.02951	3.4
97.06526	5.7
97.10173	32.2
98.98458	4.1
103.05519	3.0
105.07028	67.0
107.04958	4.6
107.08589	60.5
109.06501	5.8
109.10168	24.0
111.08106	5.3
115.05444	4.4
117.07005	20.6
119.08590	49.3
121.06484	3.9
121.10160	20.8
123.11734	15.7
124.99988	15.6
125.09639	25.6
129.07037	19.0
131.08556	28.3
133.10136	41.3
135.08049	6.0
135.11676	12.0
141.07022	9.8
143.08569	18.8
145.10138	29.5
147.11694	27.9
149.09621	9.8
149.13239	5.3
153.09148	2.6
155.08565	12.3
157.10112	21.7
159.11694	20.6
161.09651	3.3
161.13298	13.4
161.67081	3.0
163.11209	3.6
167.08533	5.1
169.10143	17.7
171.11700	21.3
173.13216	13.2
175.11183	3.2
175.14862	7.2
178.12335	4.4
179.08569	4.1
181.10167	9.6
183.11679	11.3
184.07344	77.0
185.13300	14.2
187.13281	6.9
187.14813	5.5
189.11163	14.4
195.11758	5.8
197.13326	9.7
199.14825	6.7
207.11684	5.4
209.13239	5.3
211.14841	7.6
213.16418	6.2
223.14816	4.3
225.16420	5.3
227.12775	27.5
235.14804	3.4
237.16446	3.3
239.17921	4.7
241.19569	10.3
243.15874	6.2
257.18994	7.4
259.20596	19.2
275.20114	21.4
276.09946	6.9
315.23230	4.8
323.23529	3.4
325.21628	3.2
331.22855	3.9
333.24237	19.1
349.23785	15.8
365.28378	10.4
381.27060	3.3
381.31625	3.0
383.29550	3.6
421.30969	3.0
439.32205	5.7
450.64850	3.2
484.71942	2.7
513.35443	8.3
515.38812	5.6
533.39600	9.7
551.40527	6.0
607.43591	55.9
608.43463	2.7
610.07495	2.9
625.44635	100.0
626.44971	5.4
731.57715	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	1.7
61.02921	4.9
65.03934	4.8
67.05512	100.0
68.05010	1.6
69.03432	6.5
69.07076	56.3
70.54990	1.0
71.05010	9.6
73.02917	2.0
73.76552	1.2
77.03934	1.5
79.05498	67.5
81.03408	7.1
81.07064	78.9
83.04996	7.8
83.08630	11.8
85.02911	5.1
85.06523	4.1
91.03966	3.0
91.04907	1.8
91.05490	54.3
93.07056	74.1
95.04995	10.4
95.08617	61.7
97.02894	4.8
97.06543	14.5
97.10188	6.1
99.08075	3.4
103.05515	2.5
105.04502	2.9
105.07043	44.2
107.04958	7.0
107.08605	38.2
109.02919	2.4
109.06512	5.0
109.10169	33.3
109.38613	1.1
111.08072	4.7
115.05489	2.9
115.07531	3.7
117.07024	15.4
119.08589	32.4
121.06503	3.2
121.10155	25.7
123.08062	3.4
123.11733	6.6
125.09627	5.5
127.03903	1.8
128.06174	1.6
129.05482	2.2
129.06995	6.1
131.08575	19.6
133.10149	25.0
135.08034	3.7
135.11726	17.3
137.09659	8.2
137.13277	1.5
139.11203	2.1
141.06963	2.5
142.07726	1.2
143.08620	5.9
145.10138	15.6
147.08069	2.9
147.11697	16.2
149.09631	16.6
149.13243	6.7
151.11212	3.0
155.08589	2.8
155.10667	1.4
157.10129	5.6
159.11722	12.9
159.97177	1.4
161.09573	1.5
161.13297	8.6
163.11188	8.2
163.14919	2.1
165.09119	2.6
169.10199	2.7
171.11734	4.0
173.11757	4.3
173.13260	7.2
175.11176	2.2
175.14874	2.7
177.12769	2.9
179.14322	4.0
184.07346	2.8
185.13246	2.2
187.11145	1.9
187.14832	4.0
189.11258	1.5
189.12775	1.4
197.13307	1.6
199.14838	2.7
201.16370	1.7
217.15877	1.5
223.13249	1.4
227.12759	2.8
229.14259	3.5
229.19444	2.3
239.17993	2.6
243.21088	2.5
247.20575	2.3
257.19037	5.4
259.20633	1.7
261.22192	5.8
267.15936	1.7
273.18509	2.8
275.20120	27.8
276.20657	1.5
277.21893	2.1
291.19559	4.1
293.21097	3.7
297.30853	1.3
317.24814	1.4
331.22491	1.9
333.24188	1.7
335.25824	57.4
349.23755	40.0
351.25394	1.3
365.23151	1.9
399.94974	1.7
431.31360	6.6
489.35828	17.1
513.39288	7.5
515.37292	4.5
553.41107	1.3
557.37909	1.9
609.45270	34.7
627.46619	6.4
628.45618	1.4
642.61017	1.2
840.52332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.7
65.03938	7.5
67.05505	96.5
68.05846	1.5
69.03427	22.4
69.07069	58.8
70.60400	1.1
71.04999	21.1
71.49567	2.2
73.02913	6.7
77.03893	2.1
79.05494	98.2
80.05823	2.2
81.03423	25.7
81.07057	100.0
83.04986	18.4
83.08624	15.1
85.02916	10.4
85.06541	4.7
86.09724	2.3
91.03987	1.8
91.05482	63.4
92.05795	2.4
93.07046	90.9
95.04976	19.8
95.08609	66.1
96.08959	1.6
97.02893	17.6
97.06533	92.1
97.10161	7.9
99.04451	4.2
99.08107	8.3
103.05480	2.7
105.04518	4.3
105.07030	43.6
106.07278	1.8
107.04958	10.3
107.08595	47.8
108.08875	1.7
109.02894	5.9
109.06516	22.8
109.09473	2.0
109.10165	24.5
111.04437	3.6
111.08081	7.5
113.06028	3.1
113.09665	1.6
115.05449	5.3
115.07564	27.6
116.06196	1.7
117.07017	25.1
119.07812	2.1
119.08596	29.8
119.09392	1.0
121.06545	7.0
121.10149	29.8
123.04430	2.0
123.08067	7.8
123.11734	7.3
123.12471	1.5
125.00021	1.7
125.05955	1.7
125.09628	4.0
127.03917	7.5
127.07575	2.9
128.06226	3.4
129.05496	2.0
129.07016	11.7
131.08577	31.0
133.06482	4.9
133.10133	29.6
135.08069	10.7
135.11702	18.3
137.09593	3.6
139.07527	1.5
139.11267	1.4
141.07005	3.3
142.07704	1.2
143.08578	8.7
145.04886	1.4
145.06453	3.1
145.10120	19.9
146.10530	1.7
147.08035	6.8
147.11703	11.0
149.05939	1.2
149.09647	6.7
149.13245	14.4
151.11186	4.6
155.08582	2.9
157.10135	8.9
159.08060	5.5
159.11671	15.3
161.09622	7.5
161.13255	5.7
163.07524	1.4
163.11183	4.4
163.14838	1.8
165.09119	1.7
169.10133	4.7
171.08102	1.4
171.11697	9.0
173.04509	8.7
173.09651	3.6
173.13220	8.3
175.11191	5.0
175.14842	3.7
177.12730	5.5
179.10777	1.7
179.14326	1.4
181.10114	2.1
181.12422	1.3
183.11784	1.9
184.07330	7.9
185.09589	2.2
185.13303	3.1
187.11160	2.3
187.14798	3.8
189.16501	1.5
193.12259	2.3
195.11720	2.0
195.13800	3.4
197.13223	2.3
199.14818	3.9
201.12798	2.0
203.14285	2.0
205.15887	1.5
207.13808	1.3
209.13254	1.7
211.14842	2.4
217.15889	9.4
221.15408	2.2
223.37013	1.2
227.12727	1.7
227.18039	2.5
228.43988	1.5
233.15331	3.2
237.16502	1.8
243.21143	3.5
245.18990	3.9
251.16388	1.4
253.14336	5.4
255.17551	3.1
259.20578	3.2
261.22125	8.8
263.20056	1.4
267.16040	2.3
269.17416	12.5
273.18494	30.0
275.20068	4.0
279.15900	1.7
283.15390	2.4
285.14828	1.7
289.18011	3.3
291.19543	18.1
297.17258	1.6
303.15958	1.4
307.19080	4.0
315.23068	1.6
317.24860	2.5
329.21005	1.5
333.24228	2.6
335.25803	98.4
336.26089	7.2
347.22183	9.5
365.23303	12.8
383.24188	3.4
455.09338	1.5
515.37097	4.5
527.37219	2.1
529.38940	30.0
539.37659	1.7
545.37964	2.0
555.40381	1.4
557.39001	2.4
567.39471	1.8
583.39856	2.1
585.41901	1.7
607.43262	5.4
625.44421	19.0
643.45197	8.3
787.49493	1.7
809.52258	1.7
841.46460	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.3
65.03932	7.3
67.05507	100.0
69.03416	10.6
69.07070	42.2
71.04981	4.5
71.49874	3.8
73.02921	2.8
77.03893	2.7
79.05494	91.8
80.05848	2.9
81.03438	12.6
81.07054	98.8
83.04969	12.7
83.08613	17.8
85.02897	9.7
85.06534	3.5
86.09713	16.7
87.04451	3.1
91.05483	97.0
93.07044	93.5
95.04974	13.5
95.08611	71.9
97.02907	9.9
97.06537	12.5
97.10162	9.5
99.08079	4.0
103.05472	3.8
105.04546	4.1
105.07037	91.7
107.04946	8.6
107.08592	52.1
109.06512	9.9
109.10169	34.0
111.08070	8.1
115.05441	5.3
116.07011	2.5
117.07022	41.8
118.08594	2.3
119.08589	70.9
121.06500	4.9
121.10141	37.7
123.08066	8.0
123.11705	8.3
125.00028	14.9
125.09608	7.6
127.03851	3.4
128.06241	8.6
129.05486	4.9
129.07021	30.5
131.08569	59.0
133.06512	3.3
133.10136	44.3
135.08075	5.1
135.11696	26.0
137.09645	4.2
141.06989	9.0
142.07791	6.7
143.08554	25.5
145.10135	47.7
147.08076	2.8
147.11696	36.5
149.09673	11.4
149.13239	15.3
151.11201	3.2
155.08565	16.3
157.10132	24.7
159.08043	2.9
159.11710	32.3
161.09564	3.1
161.13251	16.4
163.11159	7.2
163.14832	2.6
167.08548	6.8
169.10124	22.6
170.10919	2.7
171.11699	27.9
173.13243	19.0
175.11201	5.3
175.14844	9.5
179.08585	3.4
179.14290	4.0
181.10121	10.8
183.11700	21.2
184.07356	40.2
185.09616	2.5
185.13239	16.4
187.11168	2.8
187.14798	8.5
189.11223	2.8
193.10066	4.0
193.12167	3.0
195.11717	11.0
195.13756	4.9
196.65097	2.2
197.13293	15.5
199.14828	10.1
201.16231	4.2
207.11665	3.9
209.13264	9.0
211.14812	7.3
213.16415	4.7
215.14511	2.7
221.13412	3.4
223.14836	7.1
225.16440	5.0
227.18030	4.2
229.14297	3.7
231.20944	4.4
235.14789	2.8
237.16406	3.2
239.17981	4.6
241.19533	9.7
251.12268	2.7
251.18066	4.2
254.36072	2.4
257.19040	8.1
259.20584	25.3
261.22092	2.9
269.17319	5.4
271.20950	2.8
273.18600	2.9
275.20111	7.9
285.22253	2.9
291.19534	3.3
301.21658	4.4
315.23160	4.4
333.24271	21.9
335.25784	10.3
349.24298	4.2
365.28067	2.7
389.27292	3.2
435.32767	2.8
487.34692	2.9
513.35406	3.0
517.39948	5.9
527.37213	15.9
545.37885	3.6
591.43884	5.4
607.43225	4.4
609.45148	51.4
625.44312	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.1
65.03925	6.2
67.05509	100.0
69.03445	20.0
69.07072	66.4
71.04994	22.7
73.02906	6.7
76.76502	2.2
79.05495	94.6
80.05848	2.5
81.03431	29.5
81.07060	94.5
83.04990	15.0
83.08640	15.1
85.02917	10.2
85.06538	5.4
86.09705	4.0
91.05488	61.4
93.07049	82.1
95.04972	16.6
95.08610	63.2
97.02888	12.0
97.06537	99.4
97.10159	6.1
99.04440	2.7
99.08100	6.9
102.10828	2.1
105.04526	5.3
105.07034	47.7
107.04961	9.9
107.08604	43.7
109.02861	6.4
109.06532	21.9
109.10172	19.5
111.08083	6.1
115.05449	2.5
115.07574	36.0
117.07031	26.5
119.08596	31.2
121.06494	6.7
121.10150	31.0
123.08067	7.3
123.11703	7.3
125.00058	5.3
125.09637	4.7
127.03914	6.6
127.07568	2.5
128.06201	3.4
129.05490	2.7
129.06992	13.5
131.08551	30.6
133.06548	3.8
133.10162	26.3
135.08054	12.4
135.11688	20.5
137.09624	3.5
139.11218	2.4
141.07018	2.7
143.08585	9.4
145.06534	2.7
145.10117	20.6
146.09622	5.1
147.08052	8.2
147.11708	15.0
149.09593	5.7
149.13263	16.3
151.07565	2.4
151.11188	6.9
153.09077	2.6
155.08530	2.9
157.08983	2.2
157.10089	13.3
159.08043	4.2
159.11661	17.6
161.09570	7.1
161.13237	5.9
163.11186	5.0
163.14844	4.1
165.12764	2.2
169.10088	4.4
171.11705	6.1
173.04437	7.8
173.13245	9.9
175.11226	5.2
175.14839	2.4
177.12741	6.4
183.11684	4.9
184.07306	13.9
185.13211	3.7
187.11359	2.4
190.08676	2.4
193.12334	2.6
195.11832	3.1
195.13811	6.2
199.14883	3.1
217.15930	12.9
221.15184	2.3
222.11427	2.3
222.87894	2.4
227.17950	4.6
233.15388	4.2
235.16992	2.5
237.16415	3.9
241.19513	2.8
243.21152	3.0
245.19002	3.5
253.14328	4.1
255.17404	5.0
261.22223	13.0
263.20276	2.2
267.15930	3.2
269.17468	19.1
273.18542	38.0
275.20227	4.6
277.21741	2.5
279.15948	2.7
291.19547	21.3
297.16779	2.9
307.19202	3.7
320.08990	5.5
333.24384	3.0
335.25815	86.6
336.26172	5.6
347.22296	11.6
365.23224	14.4
515.37396	3.0
529.38916	31.1
541.38721	2.5
577.48553	3.2
607.43073	6.4
608.56116	2.7
625.44604	16.6
643.45673	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	838.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85141	2.9
65.03938	4.3
67.05508	100.0
69.03425	9.9
69.07071	42.0
71.04990	20.1
71.08645	3.6
73.02922	3.0
79.05494	73.9
81.03422	14.6
81.07059	99.0
83.04972	8.6
83.08624	17.3
85.02888	7.4
85.06542	3.2
85.74616	2.2
86.09724	3.3
87.04482	10.6
91.05483	57.6
91.06032	4.5
93.07045	79.5
95.04987	11.3
95.08611	60.7
97.02898	6.2
97.06533	20.0
97.10215	4.0
99.08087	7.4
105.04514	3.4
105.07037	38.9
107.04953	8.8
107.08602	41.1
109.06522	7.3
109.10171	20.2
109.48946	2.3
111.04456	3.5
111.08109	5.6
113.09690	2.9
115.05430	2.8
115.75948	2.2
116.61423	2.2
117.07037	18.4
119.08583	31.0
121.06525	4.6
121.10136	27.2
123.08090	3.7
123.11725	9.3
125.09602	5.0
127.03935	4.1
128.06195	3.8
129.05513	4.3
129.07002	6.9
131.08586	26.3
133.10152	24.1
135.08093	6.2
135.10548	3.7
135.11703	20.4
137.09566	2.8
143.08572	5.9
145.10114	20.0
147.08069	3.1
147.11707	14.8
149.09641	13.4
149.13263	13.0
150.91119	2.2
155.08563	2.6
157.10152	5.2
159.11699	18.6
161.13278	7.3
163.11211	7.4
169.10216	3.9
171.11662	6.2
173.04456	4.3
173.13284	7.8
175.14830	3.2
178.15904	6.5
179.14330	3.6
183.11632	2.3
184.07367	8.5
187.14760	5.5
195.13841	5.2
197.13383	2.7
229.14386	3.9
257.19077	6.6
259.20599	3.7
261.22195	6.8
263.04108	2.3
267.15979	3.9
269.17426	12.3
271.33444	2.5
275.20026	29.0
276.13623	9.2
291.58942	2.2
292.64825	2.6
320.16306	8.1
331.22711	3.7
335.25812	69.7
349.23660	22.5
351.26227	2.6
413.21619	3.5
489.35336	2.6
515.37445	16.2
529.38953	89.8
530.38965	3.4
569.41827	5.1
573.63983	2.3
609.45239	28.2
627.45544	5.3
641.47235	7.5
838.53687	4.5
841.20459	2.5
863.17676	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.7
66.74262	1.6
67.05508	64.1
68.99749	1.7
69.03435	4.6
69.07071	38.9
69.84164	5.8
69.84566	2.2
71.04988	6.0
79.05495	69.0
81.03416	14.1
81.07060	85.5
83.04989	20.2
83.08630	13.5
85.02908	2.3
85.06541	2.5
87.04465	4.3
91.05484	85.0
93.07048	60.3
95.01314	9.5
95.04993	12.8
95.08612	45.9
97.02879	3.4
97.06535	28.0
97.10166	6.7
99.08092	2.1
103.05470	2.8
105.04515	4.3
105.07037	100.0
106.07319	1.9
106.76847	1.5
107.04258	1.4
107.04958	25.3
107.08595	35.4
109.06522	6.9
109.10151	13.2
111.04451	2.7
111.08087	3.8
115.05454	3.2
116.06250	1.6
117.07018	25.5
119.08580	53.4
121.06516	9.0
121.10159	23.4
123.04425	3.7
123.08096	7.1
123.11713	4.1
125.00032	2.0
125.09611	4.9
127.03947	2.1
129.05484	1.9
129.07013	10.2
131.08569	33.1
133.06505	3.5
133.10141	53.0
135.08064	9.2
135.11678	14.6
137.09651	4.6
141.07034	2.8
142.07756	2.2
143.08578	6.1
145.06490	3.8
145.10124	29.1
147.08066	3.2
147.11705	24.0
149.09624	11.9
149.13298	9.5
151.11209	1.8
155.08572	5.2
157.10164	5.8
159.08055	3.8
159.11703	17.5
161.13255	8.9
163.11201	8.2
163.14949	1.6
165.09161	1.5
165.12801	2.3
169.10144	3.3
171.11690	5.3
173.09662	2.7
173.13240	7.9
175.11180	2.2
175.14832	4.3
177.12769	5.3
179.14328	17.2
181.12154	1.8
183.11708	3.7
184.07394	6.5
185.13232	3.8
187.11159	4.9
187.14815	3.4
189.16530	1.9
193.12279	3.1
195.13902	1.9
197.13290	4.1
199.14867	2.9
219.17493	3.0
227.12862	4.3
229.19601	1.7
239.17966	4.6
241.19576	5.1
247.20531	1.8
257.19006	8.9
259.20551	8.7
261.18512	3.0
261.22092	2.3
269.17450	9.3
272.78046	1.7
273.18451	1.8
275.20074	73.9
276.20474	1.9
279.16089	2.5
283.01892	1.6
283.15387	7.0
289.17993	12.0
291.19653	3.1
293.21130	6.8
315.23062	3.5
333.24222	16.9
335.25803	30.5
349.23782	29.3
363.21576	8.0
381.22681	2.8
543.36877	31.5
544.36755	2.1
607.34137	2.2
607.43500	30.3
608.43573	3.2
623.42993	21.2
625.44891	2.2
641.44141	11.2
692.72644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78860	1.9
65.03938	5.3
67.05512	66.3
69.03436	5.1
69.06688	2.6
69.07074	44.6
69.71413	5.0
69.71823	5.3
71.04995	4.4
71.94602	1.8
79.05499	58.8
81.03430	13.3
81.07062	91.3
82.07391	2.5
83.04989	15.7
83.08626	18.3
85.02904	2.4
85.06535	3.5
86.09722	2.2
87.04465	7.2
91.05487	83.4
93.06483	3.9
93.07054	60.1
93.07642	3.4
95.01336	6.9
95.04971	14.7
95.08067	3.4
95.08620	37.9
96.21779	1.9
97.02888	3.8
97.06548	33.5
97.10162	5.7
98.20856	3.6
99.08105	4.1
103.05486	2.7
105.04573	1.9
105.07037	92.3
106.07390	2.3
107.04966	25.5
107.08598	39.4
109.06506	4.2
109.10158	14.5
111.08070	5.0
113.09611	2.2
115.05434	2.9
117.07029	22.6
119.04987	2.2
119.08591	45.3
121.06512	5.9
121.10153	14.9
123.08075	5.9
123.11708	4.4
125.09624	5.2
129.06972	4.6
130.07785	2.4
131.08578	28.8
133.06517	2.4
133.10147	51.5
133.11110	3.9
135.08052	6.7
135.11681	16.9
136.12167	2.3
137.09641	4.1
143.08614	4.8
144.09428	2.0
145.06541	3.1
145.10153	19.3
147.08046	3.3
147.11697	22.6
149.09642	13.7
149.13293	10.8
155.08536	3.1
157.10138	6.5
159.08046	2.7
159.11696	19.3
161.13290	6.4
163.11169	7.3
165.09192	2.7
169.10135	3.4
171.11731	6.1
173.13304	6.0
175.11290	2.4
177.12807	5.3
178.12341	4.3
179.14354	12.4
183.11671	4.0
184.07401	7.3
187.11325	3.6
195.13866	4.7
211.14972	2.7
219.17610	2.4
221.09567	2.1
223.13177	3.1
229.19653	3.6
239.17981	3.6
247.20680	3.6
251.07388	1.9
251.16354	3.5
255.15910	8.8
257.19031	9.0
259.20593	3.8
269.17511	30.6
273.18622	2.9
275.20087	93.2
276.09973	3.9
291.19595	9.7
293.21136	5.1
331.22699	3.0
333.24219	2.4
335.25928	3.2
349.23776	48.7
365.23380	2.2
367.24750	5.0
394.11435	1.9
432.31131	2.1
529.35333	24.5
543.36871	100.0
544.36792	5.5
623.42975	32.6
624.43958	3.3
641.43982	10.1
687.40936	4.5
775.84344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	5.0
67.05510	52.5
69.03424	4.9
69.07071	38.9
69.31015	9.7
71.04999	5.5
77.03905	1.2
79.05497	50.0
81.03434	10.4
81.07060	70.1
83.04984	10.2
83.08628	9.7
85.06544	2.9
86.09697	1.8
87.04461	6.9
91.05488	70.1
93.07050	44.2
95.01328	8.2
95.04976	10.5
95.08611	34.4
97.02908	3.2
97.06542	33.9
97.10183	6.6
98.21548	2.3
99.08104	1.6
103.05499	2.4
105.07037	84.4
107.04954	18.8
107.08598	25.3
109.02894	1.5
109.06516	6.9
109.10165	8.6
111.04411	1.6
111.08103	4.9
113.09647	1.6
115.05429	2.8
117.07021	20.7
117.07779	2.4
119.08586	40.5
121.06519	4.3
121.10154	15.3
123.04495	1.8
123.07207	1.2
123.08076	4.5
123.11713	3.7
125.09644	2.2
128.06267	1.9
129.06984	6.5
130.07790	1.9
130.16908	1.5
131.08574	26.5
133.06519	3.4
133.10146	41.8
135.08092	5.2
135.11684	15.2
137.09654	2.8
139.07524	1.5
141.07008	2.3
143.08577	4.6
145.06473	1.7
145.10127	21.3
146.09679	1.5
147.08073	1.6
147.11702	18.9
149.09650	9.8
149.13228	7.1
151.11153	2.9
155.08589	3.4
157.10126	4.2
159.11681	14.2
161.09669	1.3
161.13261	6.7
163.11159	9.0
165.09190	2.4
165.12756	1.8
169.10126	4.8
171.11719	5.2
173.13231	4.3
174.62778	1.4
175.14879	1.5
177.12766	5.2
178.12265	1.5
179.14342	17.0
183.11690	3.6
184.07353	5.7
185.13354	1.9
187.11214	2.6
187.14772	1.9
195.13826	2.8
219.13834	1.5
219.17470	3.3
227.12869	2.8
229.19508	2.0
239.17979	2.7
247.20546	2.1
251.16539	1.6
255.15839	6.0
257.19058	11.1
267.15732	1.7
269.17447	14.8
275.20074	100.0
276.10016	2.9
279.15952	3.7
293.21042	6.3
313.21350	1.4
331.22482	2.1
349.23773	52.4
356.97900	1.4
367.24759	1.9
413.21893	1.8
503.33640	2.4
511.89044	1.5
529.35400	25.2
530.35535	2.1
543.36853	89.4
544.37115	5.2
583.40027	2.0
595.42737	1.4
623.43036	38.0
624.43085	2.6
641.44055	8.8
664.37439	1.8
687.40973	2.7
731.44983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.8
67.05511	85.1
69.03435	5.7
69.07075	23.5
71.04986	6.0
79.05498	69.5
81.03426	7.4
81.07059	84.6
81.07538	4.9
83.05003	11.7
83.08627	13.8
84.91606	2.2
85.02914	3.6
85.06544	6.5
86.09678	2.3
87.04492	3.0
91.05488	100.0
93.07051	77.5
94.37720	2.5
95.04961	16.4
95.08619	46.7
97.02905	2.3
97.06527	11.6
97.10188	4.6
98.21555	5.0
99.04459	3.4
99.08106	2.6
103.05497	3.2
105.04499	3.2
105.07041	97.9
107.04966	9.6
107.08604	58.9
109.06537	9.8
109.10168	54.0
111.08080	4.0
113.06058	2.4
115.05442	4.9
117.07030	25.8
119.08591	60.0
121.06525	5.5
121.10150	26.3
123.08079	7.0
123.11732	8.6
125.09650	2.9
128.06197	4.7
129.06996	12.5
130.07816	2.6
131.08577	34.9
133.06490	3.7
133.10143	94.0
135.08041	7.5
135.11722	16.7
137.09627	6.0
141.07098	2.1
142.07693	2.4
143.08571	18.1
145.06596	2.8
145.10139	24.2
146.09618	2.3
147.08055	4.3
147.11703	30.8
149.09647	10.0
149.13257	9.7
151.11191	31.9
155.08574	3.4
157.10187	13.4
159.08083	4.1
159.11697	22.1
161.09674	7.8
161.13274	16.7
163.11160	2.7
167.70779	2.2
169.10173	5.1
169.12234	4.5
171.11713	12.7
173.13226	10.3
175.11255	4.8
175.14845	7.0
177.09193	2.3
177.12701	4.0
181.10187	3.5
183.11688	5.1
184.07384	11.2
185.13310	10.2
187.14861	4.1
197.13307	3.2
199.14833	7.1
201.16360	2.8
213.16406	4.7
215.12662	3.6
231.21085	5.6
237.16423	2.5
241.19542	20.2
241.48550	2.1
243.17805	2.3
245.19179	4.8
253.14368	80.3
257.19049	4.8
259.20596	46.5
263.20081	5.1
271.15485	2.6
273.18579	16.6
275.20020	3.7
285.45093	2.0
287.20102	2.6
289.18097	2.4
291.19598	26.9
298.59033	2.4
313.21719	4.8
315.23236	7.2
331.22656	3.0
333.24243	47.2
335.25742	4.8
353.24768	2.4
365.23300	28.1
380.83585	2.1
409.30978	2.7
437.30338	3.5
455.31473	5.9
501.35443	5.5
511.34161	13.5
513.36298	2.3
529.35168	21.0
531.38287	4.4
605.41748	9.1
623.43005	43.6
624.42603	3.1
641.43927	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32114	2.3
64.40561	2.4
65.03931	5.2
67.05505	66.4
68.62429	2.6
69.03424	11.8
69.07074	43.7
69.13963	3.7
69.14366	24.6
71.05000	5.5
75.20026	1.9
79.05495	56.6
81.03407	8.5
81.07057	52.3
83.04965	5.7
83.08617	19.1
86.09722	3.1
87.04464	4.3
90.83007	2.6
91.05486	67.4
93.07054	55.6
95.04982	13.4
95.08606	35.0
97.02901	8.9
97.06528	5.8
97.10177	25.3
105.04518	3.6
105.07031	60.5
107.04959	10.2
107.08601	36.1
109.06519	8.8
109.10162	19.2
111.08050	3.6
117.07048	20.9
117.87461	2.8
119.08585	46.9
121.06522	5.5
121.10177	23.3
123.08056	7.0
123.11686	5.0
125.00007	2.9
125.09601	11.5
128.06227	6.4
129.07022	14.2
130.07790	3.8
131.08580	30.4
133.06502	4.1
133.10129	36.1
135.08044	5.4
135.11687	17.7
137.09685	4.7
141.07016	2.8
142.07776	2.6
143.08566	12.4
145.06442	3.3
145.10136	22.3
147.08073	7.0
147.11688	35.0
149.09641	6.3
149.13245	10.1
151.11247	2.9
153.09196	3.5
155.08507	5.8
157.10127	15.4
159.11722	21.3
161.09631	4.8
161.13261	18.2
163.06116	2.3
163.11177	5.5
165.08966	2.5
169.10175	5.7
171.11678	13.5
173.13289	11.8
175.11050	2.5
175.14838	8.7
177.12712	3.0
178.12285	3.1
183.11664	4.0
184.07465	12.0
185.13235	8.0
187.14786	3.9
189.11220	9.4
191.70161	2.4
197.13316	3.5
199.14764	5.9
211.11014	2.5
213.16415	4.2
215.17819	3.4
223.13206	17.6
227.12740	7.4
241.19438	13.5
249.14619	2.9
257.19186	3.1
259.20557	38.1
273.18576	10.4
275.20093	10.8
276.10104	2.6
291.19543	100.0
315.23236	6.6
333.24286	42.4
335.25690	4.4
349.23788	4.4
365.23288	28.9
379.30109	4.4
479.29611	2.8
525.35632	6.2
531.38312	3.3
543.36890	9.1
605.41809	6.3
623.43201	49.3
641.43689	11.4
657.02783	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.7
66.74262	1.6
67.05508	64.1
68.99749	1.7
69.03435	4.6
69.07071	38.9
69.84164	5.8
69.84566	2.2
71.04988	6.0
79.05495	69.0
81.03416	14.1
81.07060	85.5
83.04989	20.2
83.08630	13.5
85.02908	2.3
85.06541	2.5
87.04465	4.3
91.05484	85.0
93.07048	60.3
95.01314	9.5
95.04993	12.8
95.08612	45.9
97.02879	3.4
97.06535	28.0
97.10166	6.7
99.08092	2.1
103.05470	2.8
105.04515	4.3
105.07037	100.0
106.07319	1.9
106.76847	1.5
107.04258	1.4
107.04958	25.3
107.08595	35.4
109.06522	6.9
109.10151	13.2
111.04451	2.7
111.08087	3.8
115.05454	3.2
116.06250	1.6
117.07018	25.5
119.08580	53.4
121.06516	9.0
121.10159	23.4
123.04425	3.7
123.08096	7.1
123.11713	4.1
125.00032	2.0
125.09611	4.9
127.03947	2.1
129.05484	1.9
129.07013	10.2
131.08569	33.1
133.06505	3.5
133.10141	53.0
135.08064	9.2
135.11678	14.6
137.09651	4.6
141.07034	2.8
142.07756	2.2
143.08578	6.1
145.06490	3.8
145.10124	29.1
147.08066	3.2
147.11705	24.0
149.09624	11.9
149.13298	9.5
151.11209	1.8
155.08572	5.2
157.10164	5.8
159.08055	3.8
159.11703	17.5
161.13255	8.9
163.11201	8.2
163.14949	1.6
165.09161	1.5
165.12801	2.3
169.10144	3.3
171.11690	5.3
173.09662	2.7
173.13240	7.9
175.11180	2.2
175.14832	4.3
177.12769	5.3
179.14328	17.2
181.12154	1.8
183.11708	3.7
184.07394	6.5
185.13232	3.8
187.11159	4.9
187.14815	3.4
189.16530	1.9
193.12279	3.1
195.13902	1.9
197.13290	4.1
199.14867	2.9
219.17493	3.0
227.12862	4.3
229.19601	1.7
239.17966	4.6
241.19576	5.1
247.20531	1.8
257.19006	8.9
259.20551	8.7
261.18512	3.0
261.22092	2.3
269.17450	9.3
272.78046	1.7
273.18451	1.8
275.20074	73.9
276.20474	1.9
279.16089	2.5
283.01892	1.6
283.15387	7.0
289.17993	12.0
291.19653	3.1
293.21130	6.8
315.23062	3.5
333.24222	16.9
335.25803	30.5
349.23782	29.3
363.21576	8.0
381.22681	2.8
543.36877	31.5
544.36755	2.1
607.34137	2.2
607.43500	30.3
608.43573	3.2
623.42993	21.2
625.44891	2.2
641.44141	11.2
692.72644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78978	2.1
61.02919	2.1
65.03935	5.0
65.08290	2.3
67.05511	93.8
69.03426	6.5
69.07074	28.3
69.15860	11.3
69.16286	13.8
71.04980	6.4
77.03903	2.1
77.64591	2.4
79.05502	78.3
80.05849	2.7
81.03427	14.2
81.07067	94.0
83.04980	14.9
83.08610	18.7
85.02906	5.7
85.06541	6.7
86.09725	4.6
87.04464	4.9
91.05489	100.0
93.06490	5.0
93.07053	82.6
95.04977	18.2
95.08616	48.8
97.02923	3.0
97.06544	12.0
97.10193	7.6
98.20716	4.4
99.08100	3.0
103.05499	3.5
105.07047	92.5
107.04974	12.6
107.08609	54.7
109.06513	10.8
109.10170	47.0
111.04442	3.0
111.08095	8.9
113.06021	2.9
115.05469	5.1
116.07093	4.3
117.07045	27.6
117.20760	2.2
119.08595	61.9
121.06512	9.8
121.10152	26.2
123.08091	8.0
123.11734	9.8
125.00042	2.8
125.05988	2.7
125.09628	6.2
128.06255	3.2
129.07018	20.8
130.07777	3.3
131.08580	33.7
133.06468	5.0
133.10150	79.2
135.08063	10.6
135.11714	19.7
137.09628	7.5
141.07018	3.5
143.08557	13.6
145.06575	2.5
145.10144	30.4
146.09654	6.6
147.08058	6.4
147.11708	29.5
149.09613	9.3
149.13257	7.0
151.11197	23.1
153.12772	3.8
155.08554	4.0
157.10115	14.8
159.08046	5.6
159.11693	22.0
161.09624	8.2
161.13202	15.5
163.11156	15.4
165.09087	3.4
165.12828	2.6
167.08554	3.1
169.10159	5.8
169.12225	6.1
171.11690	14.8
173.09627	4.4
173.13252	12.9
175.11188	3.1
175.14848	8.0
177.12694	3.0
178.12270	5.5
180.77315	2.4
181.10246	3.1
183.11711	5.2
184.07349	12.9
185.13251	10.2
187.14798	4.5
197.13248	3.2
199.14830	2.9
207.13734	2.7
211.14911	2.8
213.16522	2.9
215.12807	2.3
227.12804	4.5
231.17491	3.0
231.21133	4.0
241.19516	14.4
253.11737	3.7
253.14337	36.5
257.18958	5.6
259.20596	31.9
261.22061	4.9
263.20062	4.1
273.18530	15.7
275.19965	8.2
276.10046	8.0
277.21783	2.3
283.06290	3.4
283.15405	9.7
287.19977	3.1
289.18018	7.8
291.19565	16.0
307.19226	3.9
315.23267	5.6
333.24286	31.6
335.25854	39.1
349.23718	4.1
363.21536	6.3
365.23203	21.0
381.22653	9.0
437.30319	2.8
501.35342	3.0
511.34277	11.6
513.36536	4.0
525.35461	3.3
529.35242	9.1
531.38379	5.7
543.29120	4.0
543.36719	30.5
605.41992	8.1
623.43079	40.2
641.44470	19.3
642.44788	2.7
765.96277	2.6
775.79315	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	838.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	8.6
61.23521	0.8
65.03925	2.0
65.35934	0.8
67.05505	35.4
69.03414	3.8
69.07070	11.7
70.26255	1.5
70.26673	2.3
71.04990	3.6
71.08633	0.7
73.02902	2.6
77.03912	0.7
79.05492	26.6
81.03416	36.8
81.07058	45.4
83.04983	10.1
83.08614	17.7
85.02905	16.2
85.06528	3.2
91.03963	4.1
91.05479	22.1
93.07041	38.1
95.04961	13.1
95.08604	11.8
97.02889	7.0
97.06529	7.7
97.10154	2.5
99.04410	1.0
99.08076	2.8
100.76912	0.7
105.04520	1.2
105.07027	13.7
107.04935	4.3
107.08588	17.9
109.02851	1.3
109.06517	3.4
109.10149	3.6
111.04434	1.0
111.08082	6.7
113.05991	1.4
115.05453	1.3
117.07027	6.0
119.05958	0.7
119.08583	11.2
121.06519	2.4
121.10144	15.2
123.08027	1.6
123.11710	2.2
125.09624	1.3
127.03903	1.9
127.07481	0.9
129.07002	7.1
131.08568	10.7
133.06454	2.2
133.10117	8.9
135.08006	1.9
135.11708	4.4
137.09653	1.5
142.07764	1.5
145.04941	1.6
145.10097	1.2
147.08020	2.0
147.11690	8.8
149.09644	2.7
149.13258	16.7
151.11108	1.4
157.10136	7.7
159.11702	6.3
163.05974	2.1
165.12691	2.2
175.11168	8.3
177.12720	3.2
193.12256	20.8
194.12564	1.0
195.13776	5.5
211.13289	24.1
251.57156	0.8
267.15924	19.2
269.17474	69.2
270.17950	1.5
274.26303	0.9
285.16989	20.2
329.21277	0.8
435.27225	2.1
461.28967	41.3
462.29288	2.7
479.30038	100.0
480.30551	5.4
514.18451	1.0
623.34021	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.3
65.03934	2.1
67.05509	40.8
69.03429	3.9
69.07072	12.5
69.82360	2.4
69.82762	1.9
71.05011	4.3
71.05323	0.8
73.02919	2.3
79.05497	30.1
80.05844	0.9
81.02939	1.5
81.03423	43.2
81.07060	50.3
83.04987	13.6
83.08622	26.1
83.09125	1.4
85.02911	21.2
85.06531	2.3
91.03956	5.5
91.04908	1.5
91.05486	33.1
93.07050	35.3
93.07642	1.9
95.04971	20.8
95.08070	1.1
95.08618	13.6
97.02895	6.9
97.06547	7.2
97.10164	3.0
99.04437	1.9
99.08097	2.2
105.04524	1.3
105.07035	16.8
107.04960	6.7
107.08596	18.4
109.02844	1.2
109.06551	5.4
109.10172	3.8
111.04462	1.6
111.08084	10.5
111.61168	0.7
113.06000	1.7
115.05507	1.1
115.13099	0.8
116.07055	0.9
117.07010	5.4
119.08577	12.8
121.06478	2.3
121.10152	15.7
123.08066	2.2
123.11684	1.9
125.09653	1.7
127.03928	2.0
129.07024	6.4
131.08586	12.5
133.06487	1.6
133.10156	11.4
135.08055	1.1
135.11729	4.8
137.09631	1.5
142.07834	1.9
145.04924	1.6
145.10153	1.8
147.08046	1.8
147.11688	12.0
149.09633	4.7
149.13269	13.6
150.10013	0.9
151.11156	0.9
157.10135	11.0
159.11668	6.6
163.06056	1.1
163.11226	1.0
165.03296	0.9
165.12733	2.4
175.11189	10.2
177.12758	2.3
193.12276	27.0
195.12186	0.9
195.13805	5.4
211.13297	34.9
213.14919	1.1
220.80612	0.9
227.12720	1.3
227.68454	0.9
267.15939	25.7
269.17493	46.9
270.17929	1.0
285.16965	30.4
428.72784	0.9
435.27158	1.2
443.27673	1.7
461.29028	58.1
462.29327	2.9
479.30072	100.0
480.30344	4.6
542.04297	0.9
623.34106	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	836.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46511	2.2
65.03951	2.6
67.05506	68.6
69.03412	7.2
69.06738	2.8
69.07076	41.8
69.10973	2.0
71.08617	2.4
71.48611	2.6
71.49046	4.1
79.05492	54.5
81.03416	12.7
81.07058	76.9
83.04987	14.0
83.08608	8.5
85.06542	6.8
86.09708	7.1
91.05482	91.0
93.07049	56.3
95.01328	7.5
95.04968	17.4
95.08613	39.3
97.02901	2.7
97.06530	33.4
97.10162	4.0
103.05463	4.9
105.04537	3.3
105.07034	97.9
107.04959	20.3
107.08602	33.1
109.06509	8.0
109.10168	38.6
111.04454	3.0
111.08069	3.4
115.05463	4.5
117.07005	20.6
119.07806	3.9
119.08584	42.8
121.06508	9.3
121.10130	11.5
123.04425	4.4
123.08061	7.3
123.11694	8.7
125.00002	6.3
125.09669	3.2
128.06209	2.8
129.06970	7.1
131.08557	28.9
133.06514	6.2
133.10129	83.5
135.08058	8.9
135.11674	7.1
137.09624	3.4
139.07545	2.8
143.08586	8.3
145.06491	2.5
145.10126	22.8
146.09651	3.3
147.08057	3.9
147.11685	23.2
149.09636	13.4
149.13283	2.9
151.11194	20.6
157.10146	7.1
159.08096	3.4
159.11711	12.4
160.11205	6.7
161.09625	7.8
161.13261	6.8
163.11156	7.2
169.12253	2.7
171.11684	4.4
173.13226	2.3
177.12695	5.0
178.12247	2.2
179.14339	16.7
183.11603	3.7
184.07355	29.9
187.11186	2.3
189.12767	3.8
197.13255	2.5
215.55307	2.2
229.19545	2.6
239.17934	2.4
249.13731	2.7
251.12738	4.4
253.14365	83.3
257.18951	6.5
258.08893	10.0
263.19788	3.0
273.18457	26.4
275.20053	96.1
276.09918	4.3
276.20407	4.0
291.19571	29.7
293.21048	6.3
309.20679	4.4
313.27457	5.1
347.22202	15.7
349.23721	36.8
365.23300	37.7
452.34668	2.4
527.33704	2.6
545.34546	9.8
621.41608	15.6
639.42603	100.0
640.42334	8.4
819.31232	2.4
836.56488	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	836.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.0
61.02920	4.8
63.33543	0.8
65.03942	0.9
67.05508	24.6
69.03429	1.8
69.07072	8.7
71.04993	4.0
71.48827	1.3
73.02910	2.3
75.68507	0.7
79.05498	19.7
81.03426	6.5
81.07060	30.5
83.01355	3.7
83.04990	8.0
83.08627	8.3
85.02911	7.8
85.06528	1.1
91.03959	3.7
91.05480	12.6
93.07050	30.2
94.51489	0.7
94.79829	0.7
95.04966	4.2
95.08618	10.3
97.02898	3.6
97.06521	6.4
97.10169	1.8
99.04470	1.5
99.08130	0.9
105.04506	1.0
105.07021	5.3
107.04982	4.4
107.08601	15.8
109.06527	3.8
109.10159	2.3
111.04455	1.6
111.08067	2.8
117.07018	5.9
119.08560	4.6
121.06493	1.8
121.10159	9.0
123.08067	4.4
123.11679	1.2
127.03999	1.5
131.08549	3.6
133.10165	5.1
135.08096	1.8
135.11697	7.8
145.04976	1.9
145.06512	1.1
145.10106	7.6
146.74283	0.8
147.11694	1.1
149.09520	1.1
149.13283	9.3
151.11119	0.8
153.12750	1.3
159.11679	4.4
159.17262	0.7
163.03944	0.7
163.06020	1.3
163.11194	10.7
173.09590	1.8
177.12766	2.6
181.12248	1.4
191.10623	1.5
195.13795	4.8
197.68175	0.8
209.11780	3.2
227.12784	1.8
265.14420	1.3
269.17496	42.6
283.15408	30.2
437.25516	0.9
459.27493	2.4
477.28510	100.0
478.28815	5.5
617.79413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.594
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.8
67.05510	41.6
69.03432	4.4
69.07072	14.4
69.46735	6.3
69.47156	7.6
71.04987	6.3
71.08632	20.6
73.37891	1.5
79.05496	23.2
79.49574	1.7
81.03418	6.3
81.07057	39.8
83.04982	3.9
83.08623	13.1
85.10199	13.5
86.09732	9.8
91.05500	19.1
93.07053	22.3
95.04958	4.8
95.08616	30.7
97.06525	7.1
97.10178	7.9
103.07594	2.9
105.07021	9.0
107.04964	4.1
107.08595	17.0
109.10155	21.5
110.88718	1.9
111.08121	3.4
117.07053	8.9
119.08595	9.1
121.10149	8.2
123.08109	2.4
123.11714	7.0
124.99992	6.6
125.09621	3.4
126.47996	2.2
131.08591	7.4
133.10127	7.6
135.08067	3.2
135.11702	5.2
137.09637	2.3
140.70918	1.9
145.10100	7.9
147.11638	6.4
149.09659	7.0
149.13254	8.9
152.42404	1.8
159.11713	7.7
161.13274	2.3
163.11163	4.5
173.11737	2.6
173.13335	3.7
177.12811	2.1
184.07358	28.3
195.13843	2.8
202.15901	3.6
227.12820	3.6
229.14426	14.0
239.23758	2.8
257.18982	3.9
269.17441	2.7
275.20111	15.6
293.21249	3.1
300.13528	3.2
313.27408	51.9
349.23642	9.7
381.26404	2.6
413.21643	12.3
467.37311	8.5
501.46765	2.2
507.40472	100.0
508.40784	4.6
512.76331	1.9
587.46680	20.3
619.48810	8.0
651.44446	6.2
789.45654	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	83.1
59.06115	3.9
61.02922	6.3
65.03960	2.2
66.21513	1.6
67.05505	36.6
68.05041	1.7
68.45904	1.6
69.03425	3.5
69.07056	9.4
70.06590	4.5
73.02895	3.1
79.05496	34.1
80.05014	1.9
81.03391	1.8
81.07054	31.0
82.06577	7.2
83.08616	3.4
84.04506	4.1
84.08150	9.6
85.02894	4.1
89.97984	1.7
91.03951	2.4
91.05493	23.0
91.73647	1.4
93.07053	29.0
94.06567	13.4
95.04971	5.3
95.07353	2.0
95.08611	22.8
96.08132	4.1
97.02869	4.8
97.10190	2.8
98.21635	3.4
105.07032	16.3
106.06537	4.0
107.04942	1.8
107.07383	2.1
107.08599	18.2
108.08115	3.7
109.10165	10.0
110.06065	1.8
110.09679	2.2
112.07596	4.3
117.07023	6.3
119.08604	11.6
120.08118	4.4
121.10172	11.8
122.09651	4.0
123.11718	2.7
124.11201	8.0
129.07056	2.6
131.08551	9.1
133.10124	7.6
134.09549	2.9
135.11700	6.4
136.11250	3.1
136.49629	1.7
140.70142	1.5
145.10126	6.2
147.11693	6.1
148.11324	1.9
149.13229	3.7
151.11247	2.1
152.10664	2.6
157.43533	1.5
159.11763	4.1
161.13269	2.3
164.14334	4.8
171.11673	2.2
173.13240	1.9
180.13779	1.8
184.07327	5.7
197.71753	1.6
220.17026	4.0
260.20105	2.4
297.83966	1.6
300.23074	3.8
318.24301	5.9
335.25833	12.4
336.25897	1.9
371.26883	1.9
392.27921	7.2
410.28775	2.4
513.94318	1.9
532.39618	4.5
547.86255	1.8
612.45679	2.4
635.46283	2.1
652.49298	6.7
670.50421	100.0
671.50342	7.4
726.82721	2.1
814.55096	2.4
832.55542	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	831.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.2
67.05180	1.6
67.05511	19.2
69.03420	4.8
69.07088	5.6
69.50375	2.9
69.50792	4.1
71.04996	3.3
79.05505	24.0
81.03428	30.4
81.07066	19.3
83.04990	11.6
83.08621	10.8
85.02924	7.3
85.06539	1.5
91.05485	27.6
93.03407	1.1
93.07059	11.8
95.04974	17.9
95.08609	7.6
97.02845	1.2
97.06534	2.8
97.10183	3.6
99.08115	1.1
103.05504	2.2
105.07044	17.0
107.04977	7.6
107.08626	7.4
109.06549	3.6
109.10172	1.9
111.04467	4.8
111.08085	3.5
115.05469	5.4
117.07056	4.4
119.08595	10.8
121.02893	3.6
121.06544	1.2
121.10169	4.7
123.04450	4.7
123.08023	1.7
125.09647	1.4
128.06250	2.3
129.07021	8.1
131.08600	7.5
133.06509	3.1
133.10158	7.7
135.04451	2.8
137.02325	1.2
137.05974	1.4
139.03932	1.7
139.05508	1.2
141.07008	3.5
142.07797	1.8
143.04901	2.3
143.08484	1.1
145.06477	1.9
145.10159	4.1
147.04427	2.5
147.08084	1.8
147.11691	6.0
149.05986	1.4
149.09668	2.9
153.07037	4.6
155.04996	1.2
155.08603	3.8
157.06535	3.4
157.10120	8.6
161.06000	14.6
163.03897	9.5
163.11255	2.7
165.05666	1.1
165.07027	2.7
165.12758	2.3
167.08601	2.8
169.06459	2.2
171.08116	1.5
173.06003	76.9
174.06383	2.2
175.03928	3.7
175.07582	2.2
175.11227	5.1
177.05527	2.8
179.08586	2.4
181.06497	9.1
183.08093	1.8
184.07494	1.7
185.06053	5.2
187.03937	2.7
187.07555	12.6
189.05545	8.4
191.10669	1.8
193.12262	17.5
195.08101	4.1
197.06006	7.1
198.06717	1.1
199.03922	3.1
199.07552	18.3
201.05482	30.2
201.09135	2.2
203.07054	1.8
205.06462	1.1
209.06154	1.4
209.09674	1.2
210.06778	1.4
211.07584	12.3
211.13319	26.4
212.08072	1.4
213.05521	14.6
213.09099	9.2
215.03423	1.9
215.07033	6.8
215.10674	1.0
217.04980	100.0
218.05380	2.3
219.13800	1.7
223.07611	3.7
225.05484	9.4
225.09134	4.1
226.06235	2.2
227.07021	12.2
227.10664	2.3
229.04955	7.6
229.08521	1.8
230.05327	1.4
231.06488	1.9
235.07553	2.3
237.09106	3.0
237.12886	1.0
239.07007	5.6
239.10715	2.2
241.05013	3.0
241.08598	2.5
241.12331	2.0
243.06528	2.4
249.09183	2.3
249.12698	2.4
251.07100	1.3
253.08752	1.9
255.06682	1.8
255.13882	2.6
256.21118	1.2
265.12201	3.5
267.13300	4.7
267.16141	9.6
273.12613	1.5
275.10681	1.8
277.12183	1.0
281.15402	3.5
283.13309	3.7
285.17334	6.3
291.13916	3.6
293.11807	2.5
299.16434	1.3
301.12164	1.5
309.14743	6.8
311.12839	23.6
311.16226	1.1
313.14392	10.0
319.13251	3.0
327.15891	9.7
329.13858	82.8
330.14236	3.6
337.14316	15.0
345.17178	2.0
347.14905	1.2
353.18539	1.2
355.15442	33.1
356.15964	2.2
367.17935	1.1
373.16516	7.7
385.16492	66.8
386.16891	3.7
387.17749	1.2
403.17596	7.8
411.18039	3.9
421.16327	1.3
429.19162	22.5
447.20255	3.0
466.76865	1.0
485.17740	3.4
501.26361	1.6
507.64392	1.1
529.20135	1.4
547.27631	2.4
559.21735	1.5
565.28040	1.8
577.27966	2.4
582.15778	1.1
593.31140	1.4
595.28992	17.0
596.17072	1.0
603.30206	1.3
613.29828	3.9
621.30817	11.2
639.31744	11.8
657.32172	2.1
751.32831	1.6
769.34662	3.5
813.36267	4.7
831.38757	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	831.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05016	2.5
65.03939	5.1
67.05505	33.3
69.03447	7.9
69.07051	11.0
71.49280	2.8
79.05495	39.6
81.03416	43.7
81.07065	28.4
83.04975	14.5
83.08632	15.9
85.02909	6.5
86.09696	2.7
88.74384	1.9
91.05483	34.1
93.03394	2.1
93.07045	18.4
95.04973	32.0
95.08614	14.3
97.02896	3.2
97.06553	3.5
97.10182	12.6
99.00832	2.0
99.04417	2.0
103.05457	3.2
105.07044	16.9
107.04945	21.2
107.08598	15.9
109.02911	2.8
109.06529	14.4
109.10136	8.9
111.04457	6.1
111.08083	2.7
115.05474	10.3
116.75170	1.9
117.03481	2.3
117.07022	9.7
118.20403	2.8
119.08572	14.8
121.02831	2.9
121.06499	11.8
121.10110	6.0
123.04420	15.1
123.08065	4.5
125.09608	9.6
128.06206	5.4
129.05482	2.3
129.06973	11.5
129.36772	2.1
131.04933	3.6
131.08571	15.0
133.06503	4.7
133.10124	8.4
135.04404	4.8
135.08057	4.9
135.11711	2.6
137.05922	3.7
137.09663	2.6
139.03908	4.1
141.06993	7.2
143.04916	3.4
143.08578	4.3
144.08104	2.2
145.06485	7.9
145.10135	6.1
145.29933	2.0
147.04419	6.6
147.08051	6.7
147.11684	6.3
149.05983	6.8
149.09618	6.9
151.03925	9.2
153.06972	7.8
155.08524	4.5
157.06482	5.0
157.10135	7.4
159.08025	3.0
159.11713	2.8
161.05998	17.8
161.09651	3.8
163.03938	7.8
163.11171	6.4
165.05412	2.5
165.06909	2.2
167.07156	2.5
167.08577	5.0
169.06511	5.7
171.04381	3.0
171.08055	3.7
173.05994	100.0
173.09567	2.7
175.04022	2.1
175.07516	5.7
175.11186	7.1
179.08575	2.3
181.06491	14.5
183.08098	4.9
184.07347	4.3
185.05948	12.4
185.07504	2.6
187.03972	6.6
187.07523	16.4
189.05486	23.2
189.09175	2.9
189.11090	3.3
191.10667	3.0
191.14351	6.3
193.12259	22.2
195.08118	9.2
197.05977	13.5
199.03893	10.4
199.07542	26.5
199.11275	2.5
201.05458	25.2
201.09036	4.0
203.07059	7.3
205.12257	3.7
207.07901	2.4
209.09599	3.3
210.06760	3.0
211.07530	21.6
211.13309	11.1
213.05498	20.5
213.09132	14.3
215.06996	11.0
217.04956	86.3
217.12212	3.9
219.13823	17.2
223.07446	10.0
223.13367	3.0
225.05510	11.3
225.08925	11.1
227.07039	19.1
227.12706	5.1
229.04933	12.7
233.09590	3.0
235.07597	3.6
236.08286	2.8
237.09134	8.1
239.07091	12.7
239.10719	5.1
240.07886	3.2
241.08528	4.0
241.12192	2.5
243.06546	3.0
245.11783	5.8
247.13330	2.2
249.09206	4.3
249.12820	2.7
251.06924	4.8
251.10638	3.6
253.08684	4.9
255.06512	3.2
263.07111	2.6
263.12823	19.3
265.08661	5.6
265.12137	5.9
267.13696	7.2
267.16101	15.0
275.10614	2.8
277.08560	4.1
281.08115	2.5
281.15540	2.1
283.13379	5.3
285.14572	3.6
285.17285	4.3
287.10849	2.2
291.13718	6.4
301.11945	3.0
305.15637	2.4
307.09763	2.7
309.14896	9.1
311.12888	22.1
311.16293	3.2
313.14536	12.2
319.15961	10.8
323.16470	4.3
327.15973	10.5
329.13852	66.7
329.17761	3.6
337.14175	30.7
349.17841	2.3
355.15384	46.1
367.18869	3.4
373.16458	17.8
377.17819	2.8
382.88193	2.4
385.16455	44.8
393.17126	3.6
395.18454	2.6
403.17603	5.4
411.18079	12.5
429.19131	34.4
447.19965	5.2
501.26123	7.4
519.27100	5.0
529.26447	11.2
547.27167	26.2
565.27832	14.8
575.29645	3.4
583.28833	3.7
593.30634	7.6
595.29376	7.6
603.29724	22.1
604.29382	2.6
611.31561	3.0
621.21649	3.3
621.30737	61.7
622.30176	4.3
639.31653	41.4
721.31665	5.0
736.86334	2.3
795.34644	4.3
813.37335	19.1
831.38928	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	830.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	0.4
61.43312	0.2
67.05502	0.6
68.05840	0.2
69.07031	0.2
71.07354	0.3
71.08620	0.2
79.05493	0.3
81.03404	0.2
81.07050	0.5
82.67792	0.1
86.09700	2.6
91.05482	0.6
93.07027	0.2
95.04932	0.2
95.08610	0.3
98.21535	0.3
98.98466	2.2
105.07035	0.3
107.08553	0.3
118.06506	0.3
119.08584	0.2
120.08106	7.4
125.00008	8.1
131.07306	0.5
131.08580	0.3
144.08115	0.3
146.09647	40.6
147.10135	0.6
148.07570	0.6
148.11241	0.4
152.10703	4.2
162.22897	0.2
164.10745	1.8
178.12273	50.4
179.12633	1.1
184.07352	7.8
196.13333	5.6
197.13861	0.2
197.96428	0.1
204.29649	0.2
226.06364	0.2
244.07336	1.6
275.20114	0.2
276.09958	100.0
277.10315	1.6
291.19830	0.2
307.83881	0.2
464.84363	0.2
619.17828	0.2
780.48022	10.2
781.47650	0.6
830.50433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	0.6
60.04539	0.6
60.08171	0.8
61.02930	4.2
65.03945	0.6
65.52001	0.5
67.05508	5.1
69.03419	2.8
69.07063	2.0
71.08639	0.8
71.49274	0.8
73.02911	3.1
79.05495	5.9
81.03429	2.3
81.07056	4.7
83.04989	0.6
83.08639	1.4
85.02907	4.4
86.09698	4.7
91.03970	2.8
91.05486	5.1
93.07050	6.5
95.04986	1.1
95.08623	3.4
97.02905	4.6
97.06515	0.7
99.04486	1.1
101.02412	1.8
103.03932	0.6
105.07034	4.4
106.57613	0.5
107.08588	2.8
109.02940	1.0
109.06552	0.7
109.10211	0.8
117.07019	1.3
119.08595	3.6
121.10135	2.4
124.99973	3.2
127.03913	1.1
129.06998	0.7
131.08609	1.8
133.10168	2.1
135.11742	1.4
143.08641	0.8
145.10155	1.3
146.20239	0.5
147.11714	2.1
149.13229	0.8
157.10141	0.8
159.11761	1.1
161.13264	0.8
167.03180	0.5
171.11765	0.7
183.30014	0.4
184.07356	13.4
185.04266	1.0
185.07730	1.8
185.13341	0.6
190.97894	0.4
193.12398	0.7
203.05244	0.4
214.38777	0.4
241.06883	0.5
243.08408	4.0
259.20572	0.5
301.09137	2.1
313.09027	0.6
313.27655	1.0
315.10727	1.4
317.21021	1.4
333.04245	0.5
369.15427	0.5
465.20847	2.3
517.27417	0.5
525.23169	1.5
535.28802	14.8
535.36798	0.8
536.29303	1.0
607.31055	1.9
719.86896	0.5
733.69958	0.5
759.44269	0.5
829.50732	100.0
830.51062	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.0
63.39682	0.4
63.69385	0.5
65.03981	0.6
67.05511	6.7
69.03430	3.8
69.07065	1.8
69.40161	0.4
69.70554	0.7
69.70953	1.4
71.01369	0.6
71.04995	0.8
73.02921	4.2
79.05503	4.3
81.03444	1.8
81.07060	6.4
83.04966	0.6
83.08604	0.8
85.02913	6.2
86.09734	2.3
91.03961	3.3
91.05490	3.4
93.07050	4.6
95.05023	0.5
95.08630	4.5
95.57664	0.5
97.02908	5.5
97.06544	0.5
99.04459	0.7
101.02407	1.6
104.10748	0.4
105.07054	2.1
107.08606	3.6
109.06523	0.6
109.10201	1.8
117.07021	0.9
117.57425	0.5
119.08621	1.9
121.10168	1.7
123.08133	0.6
125.00032	1.7
127.03940	1.2
131.08620	0.9
133.10178	1.2
135.11693	1.3
143.08589	0.5
145.10176	1.3
147.11658	0.5
149.13327	0.9
152.38992	0.4
152.45544	0.4
159.11737	0.9
161.13231	0.5
179.07762	0.4
184.07382	7.7
185.07716	0.6
203.05438	0.5
243.08551	1.8
292.29898	0.4
333.20383	3.0
335.25833	0.7
519.29364	7.6
551.28290	3.1
829.50793	100.0
830.51288	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	829.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	5.0
61.02915	3.4
65.03928	2.6
67.05186	3.2
67.05509	35.8
68.99795	2.0
69.03097	2.5
69.03438	35.1
69.07076	13.7
71.01346	3.8
71.05009	8.1
71.07380	3.0
71.08636	20.7
71.49449	1.9
72.08147	1.7
73.02917	3.1
79.05501	20.2
81.03425	100.0
81.07059	37.9
83.04987	14.0
83.08628	20.4
85.02918	23.6
85.06544	3.9
85.10184	12.2
86.09229	2.4
86.09712	26.0
87.10029	2.5
89.06018	1.8
91.05472	25.1
93.07056	16.1
95.04991	15.7
95.08611	28.4
97.02905	40.2
97.06533	4.1
97.10206	8.0
98.98453	3.5
99.04483	10.8
99.08072	2.1
100.87488	1.7
101.02369	2.3
104.10738	2.6
105.07040	20.8
107.04955	8.4
107.08607	6.1
109.02892	24.4
109.06549	5.2
109.10191	11.9
111.04461	10.9
111.08088	6.1
115.05434	2.2
117.07016	5.1
119.04974	2.0
119.08573	14.7
121.06557	2.6
121.10152	8.8
123.04435	3.8
123.11726	8.1
125.00008	21.1
125.09644	2.1
127.03921	29.8
129.05487	4.7
129.07014	10.3
131.08560	6.5
133.06516	4.8
133.10138	8.1
135.08122	2.4
137.06044	2.1
137.60872	1.7
145.04953	2.7
145.10088	3.5
147.08044	2.7
147.11699	20.2
149.09656	3.1
151.03874	2.1
157.10130	11.9
161.05928	1.7
163.11174	5.0
165.05455	2.6
165.12798	8.3
173.04492	10.1
173.05814	2.2
175.11195	10.8
179.13863	1.7
181.12283	2.6
183.06548	2.6
184.07362	85.8
185.07674	7.6
191.10660	1.7
193.12267	35.7
194.12648	2.1
201.07524	3.0
211.13304	60.4
217.12332	2.2
227.12674	4.3
229.14317	3.0
239.23694	8.1
249.15013	2.0
253.07103	2.7
253.58963	1.8
255.13771	4.2
267.15952	22.5
273.14880	4.3
283.15521	3.3
285.17010	14.8
301.14407	5.3
313.27386	53.3
314.27606	2.8
319.15530	3.6
337.16574	10.3
355.17419	6.1
355.28098	2.5
367.28448	2.0
375.18170	2.9
383.27667	2.9
393.19025	6.3
411.19998	10.6
429.21082	3.5
457.31516	2.5
460.74377	2.1
481.20361	2.9
505.39066	11.5
523.39984	35.6
589.40576	1.9
600.51361	1.9
613.40735	2.3
631.41534	2.9
649.42877	7.3
667.44250	20.7
725.64746	2.0
811.51337	6.0
829.49231	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	829.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.6
60.44794	1.0
61.38007	1.0
65.03938	2.4
67.05177	1.9
67.05506	20.3
69.03428	2.9
69.07080	3.8
71.01353	1.9
71.04974	3.7
71.48931	1.0
71.49311	1.5
74.98257	1.0
79.05494	24.3
81.03417	11.3
81.07060	15.2
83.01341	2.7
83.04983	14.0
83.08635	7.6
84.31261	1.1
85.02914	1.8
91.05479	18.1
93.07051	17.8
95.04966	11.3
95.08604	9.3
97.02886	1.3
97.06522	2.5
97.10197	2.9
99.04436	1.4
100.50686	1.3
103.05444	2.5
105.04542	1.9
105.07035	10.1
107.04951	8.1
107.08596	9.9
109.06530	4.0
109.10180	2.4
111.04446	8.9
111.08099	1.9
115.05469	6.0
117.07005	7.8
119.08591	6.4
121.02863	6.3
121.06509	1.4
121.10162	7.0
123.04422	4.7
123.08049	4.3
125.06003	1.7
125.09644	1.3
128.06241	1.6
129.06990	5.9
130.07776	1.8
131.08565	4.6
133.05304	1.1
133.06493	2.7
133.10101	3.3
135.04430	2.2
135.08092	1.4
135.11705	6.0
137.02368	1.8
137.09630	1.4
139.03911	1.8
139.05400	2.0
141.06995	3.2
143.08545	2.4
145.06450	2.9
145.10109	6.9
147.04384	2.8
147.11702	2.9
149.05969	2.8
151.03940	1.3
153.07022	4.7
153.12784	1.6
155.04900	2.4
155.08549	2.9
157.06499	3.3
157.10141	1.6
159.04366	1.3
161.05962	13.2
163.03896	9.5
163.11177	10.8
165.07022	1.4
167.07082	2.1
167.08542	2.2
169.06531	2.8
171.04459	2.0
171.07977	1.7
173.05989	65.2
173.09680	1.6
174.06438	1.7
175.03954	3.7
175.07520	2.2
177.05415	1.3
177.12679	1.2
179.08588	1.6
181.06508	9.0
181.12222	2.0
183.08087	1.5
185.06003	4.8
187.03922	4.0
187.07538	11.8
189.05464	7.7
191.10742	2.9
193.06433	1.5
193.12108	1.6
195.08080	4.2
197.05971	10.5
199.03886	3.4
199.07558	18.5
201.05466	27.9
201.09120	1.4
203.06975	2.3
207.08130	2.0
209.11813	3.5
210.06815	1.5
211.07558	9.0
211.13242	1.6
213.05473	15.0
213.09044	9.2
215.03366	1.5
215.06952	6.6
217.04958	100.0
218.05316	1.5
221.05907	1.5
223.07524	4.7
225.05481	13.1
225.09073	2.3
226.06227	2.0
226.09651	1.3
227.07043	14.1
227.10707	2.0
227.12833	3.6
228.07823	1.2
229.04962	10.5
231.06410	2.6
235.07523	1.6
239.07007	6.4
239.10706	2.1
241.05095	2.5
241.08658	2.8
241.12247	1.9
243.06512	1.8
249.09164	2.1
249.12730	1.4
251.07054	1.5
253.08679	3.0
255.13582	1.3
265.12201	3.3
267.13705	6.7
279.28720	1.1
281.15411	2.9
283.13464	2.2
283.15576	16.1
285.14795	2.7
291.13730	2.7
293.11786	2.2
295.13553	1.5
299.16339	2.2
301.12106	2.6
309.14832	5.7
311.12671	22.7
313.14352	8.4
319.13211	6.0
325.14584	1.5
327.16010	7.5
329.13843	89.8
330.13980	2.7
337.14316	23.6
345.16644	1.4
347.15323	1.3
353.13834	1.4
355.15390	47.0
373.16541	9.3
385.16464	71.0
386.16580	2.1
393.17368	1.4
403.17499	6.8
411.18015	6.2
429.19052	18.7
447.20047	1.4
485.17841	4.6
517.26080	1.2
529.20654	2.4
541.20502	2.3
542.58441	1.3
559.21722	1.4
593.26971	1.3
603.24292	2.8
609.30249	1.3
611.28442	19.7
619.28662	3.6
637.29999	19.9
655.30634	3.5
767.32391	2.0
785.34088	2.8
793.32275	1.2
811.34924	3.0
828.45062	1.4
829.36371	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	827.492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.5
62.11297	0.9
67.05508	12.3
67.57493	1.0
69.03409	2.5
69.07070	3.6
71.08662	1.2
71.50739	1.5
73.02921	4.9
79.05484	8.7
81.03419	2.3
81.07055	11.6
82.07374	0.9
83.04964	1.7
83.08623	2.2
85.02915	5.4
86.09723	2.8
91.03941	2.4
91.05476	7.0
91.16812	1.1
93.07047	7.8
93.88127	0.9
94.07384	1.1
95.04987	1.8
95.08606	7.1
97.02898	5.0
97.06554	1.1
101.02347	1.9
105.07047	3.8
107.05002	1.2
107.08616	4.9
109.10152	3.4
117.07031	1.9
119.08624	1.5
121.10168	3.8
124.99979	1.3
129.07005	1.0
133.10158	2.9
135.11696	1.7
145.10106	1.5
151.11177	1.1
173.13261	1.0
176.30928	1.3
184.07362	5.5
188.51590	1.0
194.23398	1.3
207.11035	1.0
217.28659	0.9
243.08449	1.4
269.17587	2.5
270.17761	1.6
275.20236	1.4
277.21741	1.4
295.36777	1.1
331.18912	3.1
335.26010	3.1
336.26199	2.3
338.27765	1.6
374.37625	1.2
519.29510	6.9
529.38892	1.6
530.39417	4.2
549.27216	3.2
612.46967	2.3
809.48169	3.5
827.49146	100.0
828.48749	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	827.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	0.8
61.02931	5.3
63.50847	0.5
65.03939	0.5
67.05515	6.0
69.03429	4.3
69.07065	3.7
69.64792	0.4
69.78154	2.4
70.04868	0.5
71.05006	0.9
71.07373	0.5
71.08641	1.0
73.02916	2.7
79.05495	5.5
81.03411	3.8
81.07056	6.9
83.05006	1.1
83.08633	1.0
85.02911	4.4
85.10214	0.6
86.09716	2.8
87.04506	0.6
91.03963	2.6
91.05492	5.9
93.07053	4.9
95.01324	0.8
95.04999	2.0
95.08609	4.3
97.02896	4.4
97.06534	1.1
99.04470	1.0
101.02400	1.5
103.03990	0.6
104.10771	0.5
105.07039	4.8
105.07693	0.5
107.04974	1.5
107.08606	3.3
109.02901	1.2
109.10157	2.2
110.10602	0.6
117.07072	1.2
119.08588	4.0
121.10167	1.7
123.08090	0.6
125.00013	2.6
127.03902	2.8
129.05536	0.5
129.07040	0.6
131.08614	1.6
133.10152	2.8
135.11732	1.6
145.04996	0.5
145.10167	1.8
147.11703	1.6
149.09673	1.0
149.13274	0.5
153.12746	0.7
159.11734	1.0
161.13301	0.6
163.11281	1.3
181.12286	0.7
184.07344	9.8
185.04289	0.6
185.07709	0.6
191.10722	0.7
197.13268	0.4
201.03827	0.6
209.11769	0.7
227.12878	1.1
229.14418	1.0
230.14714	0.6
243.08415	4.3
259.08051	0.5
283.15439	0.5
301.09079	1.8
313.27576	1.9
314.27795	0.6
315.19342	5.0
355.22525	0.6
371.17188	0.6
371.22101	1.0
373.11057	0.7
465.21176	0.7
468.38055	0.7
495.21951	0.6
521.38818	0.9
533.27167	8.8
535.28784	6.8
605.29614	1.7
665.42810	0.8
827.49188	100.0
828.49518	8.0
850.08014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99842	0.8
61.02925	7.6
62.78471	0.9
67.05505	13.0
68.05823	1.3
69.03442	4.9
69.07063	3.7
71.07391	1.0
71.50523	1.1
72.38079	0.7
73.02910	5.1
78.25823	0.8
78.90567	0.8
79.05493	8.4
80.05821	0.9
81.03424	3.6
81.07057	13.3
82.07399	1.0
83.05003	1.2
83.08614	2.7
85.02915	6.8
86.09730	3.1
87.04437	0.9
91.03948	4.4
91.05490	7.4
92.05788	1.1
93.07043	10.8
94.07385	1.2
95.04976	2.1
95.08608	9.8
97.02901	5.2
97.06561	0.9
99.08141	0.9
101.02408	2.5
105.07035	6.0
105.13052	0.8
107.08607	6.2
109.02888	1.5
109.06541	1.2
109.10133	4.3
117.07035	1.9
119.08609	3.8
119.89624	0.8
121.06516	0.9
121.10170	2.2
124.99983	1.9
127.03951	2.5
129.06961	0.8
131.08560	2.4
133.10114	4.2
135.11734	2.3
143.08554	1.2
145.10158	1.5
147.11752	1.2
147.25223	0.9
149.09666	1.4
149.13318	1.7
171.11760	0.9
184.07339	11.1
185.07680	1.0
203.05325	0.9
210.26378	1.0
243.08423	2.4
255.15913	0.9
269.17328	1.0
275.20181	0.9
276.20407	1.2
293.21182	1.0
313.17813	1.9
316.68076	0.9
331.18683	4.6
335.26276	1.0
337.27399	3.3
338.27753	2.0
519.29291	11.8
531.25885	1.2
531.40381	1.6
532.40686	2.2
549.27148	1.4
729.41626	2.7
809.48096	12.6
810.47992	1.8
827.49146	100.0
828.49170	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.1
61.13281	0.6
67.05507	6.1
69.03429	3.3
69.07077	3.1
69.24552	6.4
71.05052	0.6
73.02914	5.1
76.90862	0.7
79.05496	4.8
81.03424	2.5
81.07062	6.6
85.02904	4.2
86.09712	1.4
91.03960	3.2
91.05482	2.7
93.07048	4.4
95.04926	0.7
95.08624	3.6
97.02889	5.3
97.10165	1.3
98.21522	1.3
99.04464	0.9
101.02384	2.3
105.07071	1.3
107.08617	3.5
109.02943	0.7
109.10133	1.4
117.06983	1.0
119.08578	2.3
121.10133	1.8
127.03904	1.9
131.08592	1.4
133.10135	0.8
135.11728	0.8
149.13197	1.0
184.07346	3.1
185.07785	1.0
203.05063	0.8
223.13681	0.7
243.08499	3.0
261.77902	0.6
321.50644	0.7
331.18906	1.6
453.43301	0.6
519.29230	9.4
549.26685	1.4
704.49695	0.9
731.05688	0.7
827.49139	100.0
828.49438	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	827.44
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	1.3
61.02684	1.0
61.02934	9.6
67.05507	12.3
69.03439	6.3
69.07066	3.1
71.04980	2.1
71.50139	1.8
72.75059	1.2
73.02916	8.1
76.66451	1.3
77.58978	1.2
79.05497	6.6
81.03419	5.2
81.07064	6.0
83.04984	1.9
83.08622	1.3
85.02916	8.5
87.04473	2.4
91.03960	5.8
91.05500	7.2
91.51112	1.2
93.07071	6.3
95.04981	2.4
95.08619	1.4
97.02905	9.4
99.04481	1.8
101.02396	3.3
105.07050	4.6
107.08589	3.2
109.10164	6.3
111.04452	1.4
115.56340	1.0
117.07014	1.6
119.08602	3.3
120.22941	1.1
121.10185	3.2
126.81153	1.1
127.03915	3.1
129.05486	2.2
129.07007	2.7
131.08553	2.0
133.10150	2.8
135.11705	2.6
145.10124	1.7
149.09663	2.6
184.07390	1.9
185.04291	4.5
193.12218	1.7
193.23587	1.2
201.03741	1.3
220.86288	1.3
225.14885	1.6
229.14313	1.7
243.08379	6.3
251.12816	1.8
267.15906	1.4
283.15234	12.3
301.08966	11.6
309.16907	1.7
313.09680	1.2
315.10577	4.6
323.18369	3.0
333.20294	1.3
339.17926	2.0
373.11154	4.4
381.18701	6.5
385.18530	6.9
387.12656	1.5
399.20041	2.1
413.17950	10.5
427.19464	7.1
429.17221	1.9
439.19479	7.1
441.21463	1.9
457.20618	1.7
465.28540	4.6
469.20276	2.4
481.20462	5.9
483.22406	1.5
499.21536	2.6
501.23160	26.9
511.29111	2.1
516.22205	1.5
517.22424	1.4
529.22552	12.9
545.21631	1.6
549.66302	1.2
551.28271	2.8
573.25110	9.1
585.31989	1.5
601.28076	3.0
613.31879	1.9
643.33545	2.1
657.30609	2.1
673.04102	1.8
673.34131	5.0
681.34735	1.4
683.31024	3.3
699.35461	19.0
719.13226	1.3
723.39246	47.6
724.39844	3.1
741.36670	44.0
742.37085	2.9
809.42865	6.5
827.43994	100.0
828.44525	5.4
853.94202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	2.5
60.08163	1.7
61.02929	10.3
65.03941	1.7
65.93301	0.4
67.05508	59.2
67.56326	0.4
68.05824	0.7
69.03445	2.2
69.07069	5.6
71.05012	2.8
71.05312	0.5
71.07373	1.5
71.08242	0.9
71.08638	17.0
73.02922	3.1
78.02575	0.4
79.05489	2.6
81.03419	1.5
81.06598	0.7
81.07066	14.8
82.44094	0.5
83.04975	0.7
83.08159	0.6
83.08627	9.0
85.02911	12.6
85.06548	2.3
85.10187	8.3
86.09231	0.7
86.09718	9.7
89.06030	1.6
89.79543	0.5
91.03963	7.7
91.05489	4.1
93.07052	2.8
95.08614	16.5
96.04462	0.6
97.02898	5.7
97.10166	3.1
98.98474	0.6
99.04433	0.6
99.08084	0.7
99.11736	0.7
101.06021	0.5
103.07625	0.6
104.10726	0.7
107.08586	2.1
109.10164	69.3
110.10509	0.5
111.08073	2.5
111.11726	0.6
115.03989	0.6
119.08585	5.9
121.10149	0.6
123.11759	2.4
125.00014	6.4
127.03939	2.9
127.11194	0.6
137.09590	2.7
137.13284	0.7
138.08655	0.5
145.04997	3.5
146.09705	1.1
155.10661	5.6
163.06033	4.0
173.11742	17.6
184.07347	33.4
193.51837	0.5
207.36954	0.5
229.14366	100.0
230.14738	1.8
239.23630	2.1
244.07230	0.5
257.24847	2.2
304.09412	1.4
313.27383	77.2
314.27756	2.5
373.18814	0.6
467.37357	65.6
468.37845	2.3
523.40295	0.5
767.42474	0.6
826.49365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	2.6
60.08150	1.5
61.02929	9.8
65.03944	1.1
67.05507	59.9
69.03413	1.9
69.07073	5.6
70.71538	0.4
71.04994	3.0
71.07366	0.7
71.08636	14.8
73.02915	2.7
79.05484	1.8
81.03413	0.7
81.06603	0.8
81.07060	13.8
83.04975	0.6
83.08160	0.6
83.08623	9.3
85.02437	0.8
85.02908	10.8
85.06535	1.9
85.10184	9.3
86.09697	6.2
87.04456	0.5
89.06028	0.9
91.03956	7.2
91.05492	3.4
93.07063	2.4
95.08611	14.9
97.02895	6.4
97.10162	3.3
99.08150	0.5
103.07551	0.6
104.10714	0.9
106.49363	0.6
107.08573	1.1
109.10161	57.1
110.10509	0.9
111.08051	2.2
111.11694	0.9
115.03938	0.6
119.08584	4.7
123.11687	1.7
124.99998	4.4
125.09583	0.6
127.03928	2.9
127.04700	0.5
127.11193	0.8
137.09612	2.5
137.13229	0.9
145.04956	3.2
146.09576	1.0
155.10649	6.6
163.06009	4.0
173.11743	13.6
184.07346	21.0
229.14357	100.0
230.14687	1.1
239.23701	1.7
257.24802	1.9
313.27374	75.3
314.24216	0.5
314.27692	2.0
388.00629	0.5
467.37354	61.6
468.37872	2.6
468.97784	0.6
498.84573	0.5
545.11108	0.5
742.85162	0.6
826.50867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.8
65.03940	5.0
67.05511	94.6
69.03438	7.6
69.07069	31.9
69.19933	10.2
69.20362	4.7
71.05001	6.7
73.02873	1.5
77.03910	1.5
79.05500	71.6
81.03429	12.4
81.07064	100.0
83.04996	11.6
83.08624	13.6
85.02908	4.1
85.06528	4.9
86.09702	5.9
91.05488	56.1
93.07053	80.2
95.04975	10.5
95.08614	52.7
97.02896	4.4
97.06535	14.3
97.10173	4.8
99.08115	4.1
105.04504	2.7
105.07038	40.5
107.04972	6.3
107.07874	3.1
107.08600	44.4
108.34243	1.6
109.02879	2.5
109.06531	5.7
109.10168	20.4
110.08992	1.3
111.04411	1.8
111.08107	4.2
113.09669	1.5
117.07033	18.5
119.08591	28.3
121.06509	4.6
121.10158	28.1
122.57375	1.4
123.08059	3.5
123.11729	9.7
125.00017	3.1
125.09651	3.7
127.03933	1.8
129.05490	1.6
129.06976	4.1
130.07800	1.6
131.08594	22.3
133.06546	2.2
133.10141	25.0
135.08061	4.8
135.11717	24.7
137.05972	2.0
137.09615	3.0
141.06982	2.4
142.07808	2.2
143.08566	4.3
145.10120	17.4
147.11710	13.1
149.09647	11.2
149.13261	20.1
155.08510	2.1
157.10136	4.3
159.11708	16.5
161.13239	8.3
163.11185	6.4
163.14819	2.7
164.25760	1.3
165.12744	3.2
169.10255	2.3
171.11746	4.1
173.04530	3.0
173.13232	8.1
175.11136	1.7
175.14865	1.9
177.12749	5.1
179.14267	2.2
181.12286	1.9
183.11710	2.9
184.07362	18.4
185.07735	1.8
185.13275	2.3
186.07784	1.8
187.14847	2.2
195.13828	8.9
197.13216	1.9
201.16371	1.8
211.14995	1.5
227.12834	2.8
229.19572	2.2
239.18011	2.6
243.21106	4.7
251.16449	1.6
255.15836	14.9
257.19052	5.5
259.20740	2.1
261.22205	13.5
264.11588	1.3
267.15897	2.9
269.14551	2.6
269.17474	43.9
275.20035	23.9
293.21082	2.6
317.24933	1.8
333.24255	2.4
335.25827	86.4
336.26190	2.9
342.50107	1.4
349.23831	18.7
367.24808	5.0
413.21686	4.0
437.34491	2.2
441.58862	1.6
511.37759	1.9
515.37231	15.7
529.38928	76.9
530.39142	4.2
569.41675	2.0
609.45392	19.2
627.46021	6.8
649.80646	1.6
859.56836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05018	2.1
61.02926	3.6
65.03951	5.4
67.05504	98.2
69.03424	8.7
69.07067	32.1
71.04983	6.0
71.08646	1.5
73.02945	1.6
75.19531	1.1
77.03979	2.1
79.05494	73.8
81.03426	8.1
81.07055	100.0
82.07937	1.2
83.04974	8.6
83.08622	18.6
85.02912	6.3
85.06564	4.4
86.09726	3.3
91.04909	3.0
91.05479	61.0
93.07042	79.7
95.04968	11.9
95.08607	58.7
97.02906	5.4
97.06526	9.9
97.10179	9.8
98.20789	3.0
99.08121	3.5
103.05464	2.3
105.04534	2.1
105.07031	43.4
107.04945	7.3
107.08591	47.6
107.09315	2.5
109.02892	1.8
109.06551	6.6
109.10157	23.8
109.10843	2.0
111.04391	1.3
111.08109	5.5
115.05481	2.6
117.07021	17.8
119.08581	33.4
121.06519	3.6
121.10146	29.7
123.08104	5.1
123.11736	5.8
125.00018	2.4
125.09612	6.6
127.03949	2.2
128.06197	3.2
129.05507	2.4
129.06976	7.4
131.08565	24.9
133.06538	2.8
133.10136	22.6
135.08083	5.1
135.11691	20.8
137.09621	3.8
137.13263	1.6
141.06966	2.7
143.08582	4.6
145.04977	2.1
145.06441	1.3
145.10118	20.0
146.09627	2.0
147.08099	1.9
147.11691	13.4
149.09654	6.5
149.13252	12.6
151.11250	2.7
155.08565	2.2
157.10182	5.6
159.11693	18.5
161.13246	8.3
163.11148	6.0
163.14847	3.2
165.12790	2.0
169.10144	3.4
171.10365	1.6
171.11749	5.3
173.09526	1.8
173.13206	8.9
175.11252	1.9
175.14877	1.5
177.12747	3.1
181.12276	2.2
183.11714	2.9
184.07370	8.6
185.07674	1.6
185.13243	3.4
187.14836	3.3
195.11815	2.0
195.13814	3.6
197.13319	2.2
199.14923	2.7
227.12798	7.3
229.14345	2.1
229.19504	1.7
234.45363	1.4
235.16945	2.0
239.18071	3.8
243.21236	2.4
244.07510	1.2
247.20653	3.1
255.15869	9.1
257.19000	9.4
259.20721	2.6
261.22153	11.1
267.15967	2.7
269.17456	18.7
275.20068	31.7
291.19653	1.6
293.21152	4.7
317.24744	2.8
331.22626	2.8
333.24188	2.8
335.25787	98.3
336.26083	3.8
349.23773	24.3
367.24734	3.5
369.27966	1.4
436.07800	1.3
489.35562	6.1
505.35043	3.7
515.37250	16.1
529.38916	32.4
530.39423	2.0
569.41992	3.8
591.44348	1.5
609.44989	31.0
610.45648	2.3
627.46002	9.1
824.48608	1.5
825.52710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.4
65.03561	3.2
66.55595	4.2
67.05508	62.5
67.47603	3.5
69.07088	20.9
71.04995	4.5
71.08626	3.5
74.95307	3.6
76.59267	3.4
79.05495	47.5
81.07063	55.3
83.08614	10.4
84.04043	4.4
84.04504	29.9
86.09699	17.5
91.05485	60.9
92.67430	3.3
93.07056	56.0
95.04944	4.9
95.08607	46.9
97.02866	5.4
97.06509	4.4
97.10146	5.2
103.05479	4.3
105.07040	52.8
107.08603	29.9
109.10146	16.8
115.05476	4.4
117.07036	31.5
119.08581	40.7
121.10133	16.7
123.08026	5.3
124.04628	3.2
125.00015	11.1
125.09637	4.4
128.06226	7.4
129.07007	17.9
130.07788	3.9
131.08569	36.7
133.10135	28.3
135.11723	17.6
141.06960	6.9
142.07712	3.4
143.08519	25.9
145.10103	30.7
147.11737	17.7
155.08571	13.1
156.09445	4.4
157.10182	16.6
159.11649	21.6
161.13283	6.4
166.07639	4.3
167.08548	6.2
169.10138	14.6
171.11717	10.0
173.13275	12.8
173.77400	4.0
175.14848	3.7
181.10107	8.3
183.11690	14.5
184.07336	50.3
185.13261	8.3
187.14742	4.0
195.11742	7.8
197.13210	12.9
199.14812	8.1
207.11719	4.6
208.13341	6.6
209.13300	6.0
211.14763	4.9
213.16451	6.3
223.14845	8.5
228.97537	3.6
237.48175	3.7
239.17885	6.2
249.16060	4.0
250.14160	4.7
257.18997	5.4
259.20670	5.1
304.36844	4.0
313.27618	3.8
335.25735	7.6
378.03137	3.8
501.35571	4.2
517.40137	10.1
535.41522	5.3
591.44092	7.7
598.42914	14.1
598.51758	4.4
609.45123	100.0
610.44946	8.1
665.18134	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85841	1.4
65.03941	4.8
67.05510	100.0
69.03437	8.3
69.07078	31.6
69.92648	6.2
69.93076	2.6
71.04974	5.3
73.02924	1.7
79.05499	77.5
81.03419	10.1
81.07061	99.7
83.04980	12.6
83.08617	13.6
85.02917	5.0
85.06538	3.8
86.09697	4.5
91.04906	2.7
91.05487	62.2
93.07048	83.2
95.04972	8.3
95.08612	55.6
97.02879	4.4
97.06531	13.7
97.10162	7.3
99.04475	2.8
99.08091	2.7
105.04536	3.8
105.07037	39.5
107.04957	7.0
107.07880	2.8
107.08602	44.5
109.02911	2.1
109.06519	7.0
109.10156	23.3
111.08070	5.7
115.05479	2.4
117.07025	20.2
119.08594	29.4
121.06498	3.0
121.09361	1.9
121.10162	26.7
123.08038	3.1
123.11688	7.4
124.99986	3.3
125.09615	3.3
127.03909	3.6
128.06165	2.3
129.05501	3.3
129.07016	6.5
130.07779	2.1
131.08588	25.0
133.10129	25.3
135.08040	4.6
135.11702	22.2
137.09610	3.7
137.13214	1.9
143.08588	7.6
145.10149	20.0
147.07997	2.1
147.11699	16.4
149.09631	11.5
149.13255	15.2
151.11240	2.8
155.08578	2.1
157.10138	4.6
159.11700	20.6
161.13306	8.8
163.11217	5.5
163.14850	2.9
165.12810	2.1
169.10153	4.9
171.11731	4.9
173.04533	2.2
173.13248	8.3
175.14877	3.4
177.12776	3.9
179.10735	1.6
183.11690	2.6
184.07333	13.2
185.13326	2.7
187.14847	3.9
195.11829	1.5
195.13814	7.6
197.13213	2.3
199.14786	2.3
201.16399	1.8
211.14777	1.7
213.26465	1.6
217.15919	1.8
227.12773	2.3
229.14397	2.1
229.19478	2.1
239.17818	2.3
243.21098	4.7
247.17068	1.8
255.15901	9.2
257.19138	7.5
259.20551	2.2
261.22137	9.5
267.15952	2.5
269.17480	29.4
275.17249	3.1
275.20065	30.6
293.20972	3.0
295.53970	1.6
309.20648	3.6
317.24612	2.1
317.36661	2.2
331.22809	3.2
333.24017	2.0
335.25815	94.1
336.26129	2.2
349.23746	20.0
367.24753	3.4
413.21625	1.7
489.35498	2.7
515.37286	19.0
517.40747	1.9
529.38916	66.2
530.39374	3.9
546.29913	2.1
569.42365	8.7
609.45068	22.3
627.45801	5.5
673.42578	2.2
775.76794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.9
65.03943	5.9
67.05505	86.6
69.03439	7.5
69.06729	2.3
69.07068	26.1
69.33620	9.8
71.04987	4.3
73.74512	1.2
75.38126	1.1
77.03922	1.6
79.05016	2.4
79.05493	78.9
81.03429	6.0
81.07056	79.2
81.82531	1.7
83.04992	6.2
83.08613	26.8
85.02915	3.3
85.06544	4.2
86.09732	1.9
91.05482	49.3
93.07045	73.2
94.07386	1.4
95.04970	6.2
95.07994	2.5
95.08606	50.6
97.02894	3.1
97.06514	8.0
97.10171	48.4
98.20814	3.1
99.04459	1.4
99.08058	1.9
105.04489	2.2
105.07031	38.9
107.04964	5.1
107.08599	74.6
108.05853	1.4
109.02898	3.2
109.06518	5.7
109.10162	26.1
111.08092	3.6
111.77365	1.3
117.07017	14.2
119.06088	1.7
119.08587	27.3
121.06559	1.3
121.10142	26.2
123.08075	3.6
123.11698	7.8
125.00051	2.2
125.09630	40.1
127.03929	4.6
128.06212	1.3
129.07022	4.0
131.08577	21.7
133.10136	21.5
135.08087	5.2
135.11696	15.2
137.09685	1.7
141.06999	2.0
143.08597	6.0
143.10678	2.2
145.10129	25.1
147.11690	17.4
149.09639	7.9
149.13254	11.1
151.11221	1.4
153.09079	3.4
155.08565	2.0
157.10175	4.4
159.11703	12.3
161.13240	11.2
163.11191	3.2
163.14847	3.0
169.10100	2.0
171.10176	4.0
171.11716	4.9
173.13199	8.3
175.14825	2.9
183.11699	3.8
184.07359	6.9
185.13277	2.9
187.14844	4.1
189.09579	2.6
189.11224	25.9
197.13245	2.1
199.14819	1.8
201.16464	1.9
203.14372	1.4
209.13309	2.0
211.14745	1.3
227.12776	50.0
229.19528	2.2
233.22673	1.5
239.18027	3.5
241.19521	1.9
243.21101	5.8
244.07379	2.3
245.13794	2.1
257.19147	10.0
259.20663	6.3
261.22137	14.9
275.20062	42.9
293.21173	2.5
317.24753	2.8
331.22720	7.0
333.24283	4.7
335.25806	100.0
336.26154	3.6
349.23715	46.7
351.25314	2.8
367.29807	1.7
389.18085	4.8
487.34219	3.2
505.35190	24.6
590.67181	1.5
609.45135	89.1
610.45667	6.2
627.46216	12.2
649.39545	5.2
825.46472	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.2
65.03941	7.0
67.05508	94.6
69.03432	10.7
69.07071	33.9
71.01350	1.3
71.05005	6.3
71.05324	1.1
71.08629	1.9
73.02916	3.0
73.85801	1.0
76.35925	1.2
77.03925	1.4
79.05498	89.4
80.05829	1.4
81.03426	12.1
81.07059	100.0
81.42138	1.0
83.04984	11.9
83.08620	14.2
85.02910	9.4
85.03350	1.6
85.06535	3.4
86.09694	1.8
91.03963	2.2
91.05486	77.1
93.07047	92.1
95.04960	10.4
95.08610	65.5
95.09074	1.2
97.02904	9.1
97.06528	10.3
97.10155	5.1
98.09679	2.4
99.04462	2.0
99.08113	5.5
103.05463	2.7
105.04517	3.6
105.07033	60.6
107.04948	4.3
107.08599	52.0
109.02891	1.2
109.06548	6.2
109.10160	26.7
111.04430	2.0
111.08100	6.6
111.11710	1.7
115.05442	3.8
117.07027	24.9
119.06117	1.2
119.08591	45.1
121.06509	2.7
121.10144	35.0
123.08073	5.1
123.11723	5.5
124.99971	2.5
125.09628	4.3
127.03941	7.4
128.06204	2.4
129.05501	4.4
129.07004	8.9
130.07770	2.2
131.07594	2.2
131.08574	34.0
133.06525	1.8
133.09128	1.9
133.10138	38.4
135.08029	5.3
135.11699	21.3
137.09619	4.6
137.13255	1.7
139.11215	1.3
141.07013	1.4
142.07765	1.5
143.08586	7.7
144.09370	1.3
145.06483	1.3
145.10124	24.7
147.11688	27.0
149.09605	7.6
149.13263	21.9
151.11165	2.1
155.08531	2.2
157.10141	8.6
159.10370	0.8
159.11708	22.7
161.09592	2.1
161.13295	14.5
163.11182	4.4
163.14793	3.5
165.12756	1.6
169.08748	1.3
169.10147	3.4
171.11694	9.3
173.13258	12.9
175.11209	1.6
175.14839	7.2
177.12761	6.1
178.12386	1.2
179.14284	3.4
181.10071	1.8
183.11684	2.8
184.07399	7.0
185.13307	6.6
187.14774	5.8
189.11063	1.4
189.12704	1.5
189.16429	2.0
191.14307	1.5
193.72160	1.1
195.12001	1.4
195.13834	3.8
197.13329	2.8
199.14810	4.0
201.16380	2.3
211.14851	1.7
213.16461	1.4
215.17949	1.5
229.19594	1.7
231.21107	1.4
239.17935	2.6
241.19516	9.8
243.21101	2.9
257.19009	7.2
259.20599	23.6
261.22122	14.0
269.17377	9.6
275.20041	10.2
276.10135	2.0
285.73962	1.2
291.19427	1.7
293.21133	3.1
299.23947	1.2
315.23233	3.7
331.22595	2.2
333.20435	2.0
333.24252	29.2
335.25821	81.3
336.25998	2.7
349.23785	6.9
421.96313	1.2
489.35931	2.5
515.37231	1.9
519.41876	2.8
529.38855	36.2
530.39075	3.0
541.38721	3.3
592.06183	1.5
593.46002	5.7
604.26685	1.4
609.45013	2.9
611.46722	19.5
626.47229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.8
57.07083	2.3
64.66608	1.4
65.03954	3.4
67.05512	47.9
69.07079	32.0
70.10658	4.2
71.04975	2.6
76.17733	1.4
77.03856	1.4
79.05500	48.0
79.22030	1.2
80.98388	1.5
81.03428	8.1
81.07065	63.5
83.04980	4.2
83.08623	8.8
85.06539	2.2
86.09703	2.4
91.05489	76.2
93.07053	48.7
95.01320	7.5
95.04983	9.9
95.08615	33.8
97.06534	20.9
97.10150	3.8
103.05459	3.2
103.39383	1.3
104.21980	1.4
105.07040	100.0
107.04962	16.7
107.08596	23.5
109.06520	4.2
109.10169	8.9
111.08119	3.3
113.09605	1.6
115.05451	2.4
117.07024	23.9
119.08591	55.1
121.06501	4.5
121.10162	13.2
123.08057	5.2
123.11724	1.4
125.09612	1.8
128.06238	1.4
129.07021	6.8
130.07787	2.0
131.08569	27.7
133.10147	50.2
135.08040	3.5
135.11688	10.6
137.09601	2.9
143.08620	8.5
145.06473	3.3
145.10139	24.2
146.09637	1.7
147.08138	1.5
147.11702	25.5
149.09633	5.8
149.13263	6.2
155.08551	3.0
157.10114	6.9
159.11707	15.8
161.09657	1.5
161.13287	15.6
163.11174	3.8
165.09053	1.9
169.10101	2.4
171.11702	8.6
173.13329	6.5
175.11249	1.7
175.14827	7.3
177.12787	4.4
179.14310	12.4
183.11696	2.7
184.07320	6.6
185.13211	4.1
187.11116	2.2
187.14792	1.9
197.13229	1.7
199.14838	3.2
211.15033	1.5
215.14284	1.4
215.17932	1.6
229.19426	1.5
231.21164	2.8
239.18002	2.2
241.19545	16.8
243.21094	1.8
247.20587	1.8
257.19034	7.4
259.20599	26.5
265.71884	1.5
275.20090	60.1
276.09979	2.1
277.21597	2.0
279.16055	2.5
293.21161	3.6
315.23184	10.5
333.24252	50.6
349.23767	43.0
351.25311	1.7
513.35931	1.9
533.39960	2.4
555.37140	1.9
607.43628	92.1
608.43634	4.8
625.45068	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.3
57.07083	1.1
59.04999	1.1
60.08151	2.3
61.02898	1.3
61.38661	0.7
65.03934	2.8
65.83100	0.7
67.05505	56.8
69.03133	0.8
69.03435	7.9
69.07068	28.7
70.01676	2.4
71.04987	2.9
71.07361	1.1
79.05492	42.8
81.03429	4.0
81.07053	44.6
83.04980	4.5
83.08610	9.4
85.02909	1.9
85.06545	2.0
86.09702	14.5
91.04902	1.6
91.05480	27.3
93.07043	37.4
95.04964	6.4
95.08608	32.1
97.02898	9.2
97.06553	3.6
97.10162	13.2
98.98448	1.7
100.96400	0.9
104.10767	0.9
105.04530	1.5
105.07028	16.3
107.04951	5.9
107.08591	21.8
109.06519	2.1
109.10151	16.2
111.08058	3.3
115.05372	1.2
117.07020	9.2
119.08583	14.5
121.06469	4.1
121.10155	13.1
123.08096	4.9
123.11689	2.8
125.00000	9.8
125.09634	8.4
129.07005	4.0
130.07727	1.0
131.08566	10.6
133.06511	1.5
133.10135	9.2
134.07298	1.0
135.08018	2.4
135.11688	8.4
137.09573	1.9
143.08560	2.6
145.06552	1.1
145.10135	7.8
147.08029	5.1
147.11708	5.7
147.12738	1.4
149.09573	1.8
149.13301	4.5
153.09132	1.2
153.12700	1.2
157.10141	2.3
159.08057	1.1
159.11736	5.0
161.09616	2.4
161.13254	2.5
163.11209	1.0
163.14874	1.4
165.09102	1.3
171.10246	1.2
171.11646	1.7
173.13246	2.9
175.11192	2.0
175.14822	1.3
184.07343	46.4
187.14749	1.2
189.11227	2.7
193.12164	1.1
195.13811	1.0
200.11646	0.7
205.12251	1.4
223.13275	18.8
227.12810	3.5
243.21082	2.0
245.19057	1.2
249.14828	2.6
261.22113	8.7
273.18491	13.4
291.19543	100.0
292.19873	2.2
309.20416	1.3
317.24747	3.3
335.25797	87.0
336.26105	1.6
347.22269	2.2
365.23254	42.4
366.23544	1.8
518.60168	0.8
527.37421	1.3
545.38550	4.8
557.38232	1.1
607.43701	1.2
625.44623	80.1
626.44763	4.1
704.47839	1.2
822.58093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	12.1
57.07067	3.5
60.08150	1.9
61.02930	2.9
63.97983	1.6
65.03938	5.2
67.05507	100.0
69.03425	5.8
69.06736	1.9
69.07070	21.6
71.04984	4.7
71.07365	1.9
71.40805	3.1
73.06552	1.9
75.46828	1.2
79.05498	73.2
81.03423	9.1
81.07059	97.0
83.04983	16.3
83.08623	10.1
85.02898	1.9
85.06531	6.3
86.09708	14.5
91.05485	77.1
93.07047	76.8
95.04971	13.1
95.08607	53.2
96.05222	1.6
97.02883	2.3
97.06522	7.7
97.07092	1.5
97.10172	2.5
97.38645	1.3
99.04412	3.3
99.08089	3.2
103.05492	2.2
104.10764	1.5
105.04529	3.5
105.07034	61.5
107.04935	10.7
107.08596	56.3
109.06521	8.8
109.10161	54.9
111.08061	4.7
113.06017	3.5
117.07025	13.2
119.08587	30.5
121.06498	10.6
121.10148	24.2
123.08066	5.6
123.11723	9.8
125.00026	9.7
125.09628	4.0
127.07574	3.1
128.06224	2.6
129.07005	7.0
131.08569	23.3
131.63092	1.3
133.06487	5.1
133.10135	71.5
135.08069	9.6
135.11702	13.6
137.09604	4.4
137.13263	1.6
139.11159	1.5
141.06989	2.1
143.08565	6.6
145.10127	17.2
146.09706	3.8
147.08040	6.5
147.11710	9.0
149.09593	7.6
149.13249	7.1
151.11198	32.5
155.08592	3.0
157.10129	6.8
157.85179	1.3
159.08096	2.4
159.11646	7.6
161.09625	8.4
161.13278	5.0
163.07588	1.8
163.11209	3.5
163.14868	2.3
169.10141	1.6
169.12253	6.3
171.11691	5.7
173.09720	1.6
173.13293	5.8
175.11211	6.4
177.09122	4.0
177.12794	1.5
179.10739	2.3
183.11726	1.6
184.07344	44.8
185.07736	1.7
185.13289	3.4
187.11101	2.8
187.14737	2.4
189.12718	3.6
197.13322	1.6
199.11169	1.8
201.16389	1.5
203.14305	1.5
204.16852	1.6
215.12729	3.9
223.13361	2.3
243.21124	3.7
244.07387	2.8
245.19014	7.5
245.44026	1.4
251.12871	4.3
253.14362	88.7
255.17636	3.4
259.20532	2.0
261.22171	12.7
263.20114	6.2
273.18463	36.0
275.20007	2.4
277.21481	1.5
291.19568	36.8
300.13632	1.8
304.09473	5.3
309.20526	2.7
317.24799	1.9
335.25815	65.9
336.26053	4.0
347.22162	16.1
365.23230	49.4
439.31641	2.8
457.32935	2.0
503.36380	1.7
513.36060	7.5
531.36780	14.9
607.43195	9.5
625.44678	77.1
626.44958	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.5
57.07067	3.5
59.70267	2.1
61.02930	3.9
65.03948	7.3
67.05512	100.0
69.03432	4.7
69.07081	23.5
69.17238	2.7
69.17558	20.9
71.04994	4.6
74.98324	1.9
77.02277	2.1
79.05502	68.9
81.03435	6.6
81.07066	91.7
83.04630	1.6
83.04994	16.0
83.08630	5.1
85.02940	2.2
85.06544	7.0
86.09737	4.8
86.93131	2.4
91.05492	69.4
93.06488	3.9
93.07054	65.6
95.04977	14.9
95.08618	42.7
97.06549	6.4
97.10152	2.3
105.04497	2.3
105.07042	55.9
107.04981	9.3
107.08601	51.4
109.06525	13.0
109.10169	62.5
111.08125	2.6
113.06016	2.7
113.46841	2.3
116.26163	2.1
117.07040	11.6
119.08595	17.8
121.06532	5.7
121.10162	19.6
123.08069	4.6
123.11747	10.1
129.07018	2.9
131.08601	15.9
131.34241	2.2
133.06511	4.0
133.10149	65.9
135.08115	5.4
135.11702	16.6
137.09605	4.5
143.08598	3.8
145.10150	10.4
147.11684	7.4
149.09686	5.2
149.13287	4.6
151.11205	29.9
157.10139	3.5
159.11707	7.2
161.09679	5.4
161.13252	4.1
163.14851	2.4
169.12259	6.6
171.11774	2.5
173.13293	5.7
174.67174	2.0
184.07384	13.7
185.13269	3.9
186.07697	2.3
189.12816	2.1
204.75862	1.9
245.19112	3.7
253.14375	89.9
261.22122	13.3
263.20032	2.7
273.18536	21.9
291.19586	23.4
291.22552	3.1
309.20850	3.0
317.24863	2.7
335.25845	87.5
336.25931	3.5
347.22214	6.6
365.23282	27.5
513.35748	3.8
531.36932	38.8
532.36761	2.5
607.43475	6.4
625.44604	71.9
626.45251	3.2
635.28027	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	822.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	19.8
57.07074	1.7
59.04988	5.8
60.71256	1.5
65.03938	4.6
67.05508	100.0
68.05848	1.6
69.03435	10.6
69.07071	39.3
70.02988	8.1
71.04633	1.6
71.04997	10.6
79.05497	56.9
81.03419	82.8
81.07060	67.1
81.07536	4.0
83.04985	15.2
83.08623	27.6
85.02922	3.8
85.06536	7.4
87.04467	4.3
87.84941	1.5
91.05482	57.6
93.06488	2.9
93.07052	49.6
95.04977	33.6
95.08616	37.1
97.02898	5.9
97.06547	10.2
97.10173	14.4
99.04440	5.4
99.08079	3.9
103.05473	2.3
105.04543	3.1
105.07040	39.4
107.04975	17.0
107.08592	25.8
109.02907	1.8
109.06539	6.9
109.10166	42.7
111.04430	4.2
111.08112	11.7
115.05433	2.8
117.07016	14.3
119.08598	31.4
121.06520	9.2
121.10148	22.0
123.04449	3.2
123.08081	6.3
123.11739	4.6
125.09676	12.8
129.05527	2.7
129.07005	12.4
130.07834	2.2
131.04900	2.3
131.08575	19.9
133.06494	5.2
133.10135	21.0
135.08052	6.3
135.11676	10.9
137.09579	10.7
137.79791	2.0
141.07085	2.6
142.07735	4.3
143.08484	4.1
145.06499	2.6
145.10121	15.8
147.08076	4.9
147.11671	14.4
149.09636	18.4
149.13275	5.0
151.11221	5.7
155.08589	4.0
155.10695	4.2
157.10136	12.9
159.11681	7.5
161.09601	2.5
161.13258	3.6
163.11186	14.1
165.12727	2.1
171.10251	2.3
171.11696	5.3
173.09641	2.7
173.11745	10.5
173.13158	2.5
175.11200	10.9
177.12807	3.1
181.10106	2.1
183.11629	1.9
184.07333	4.1
185.13332	2.9
187.11261	2.2
189.11177	4.5
191.10687	3.5
193.12263	29.0
195.11803	3.6
197.13188	2.2
211.13338	5.7
219.13918	1.9
223.13324	4.2
225.14896	5.1
227.12749	6.7
229.14340	33.7
234.52592	1.9
241.14284	2.4
243.15956	3.1
249.14914	4.2
253.14378	2.5
255.15939	5.4
257.19031	2.8
259.15582	2.7
267.15942	66.8
269.17386	3.5
273.18576	3.4
275.20053	10.6
291.19498	6.3
293.20749	2.1
329.20731	2.2
349.23764	12.6
361.65430	2.0
365.23117	3.0
403.25046	2.5
409.26151	2.2
421.25885	21.2
423.27502	4.5
435.27420	6.5
447.27441	18.0
541.35284	22.5
559.36243	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	822.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	22.8
57.07065	5.7
59.05003	6.3
61.02916	6.3
65.03938	5.0
67.05514	100.0
69.03442	9.4
69.07076	19.6
71.04991	5.2
71.07388	2.2
71.48158	2.7
73.02921	6.9
79.05503	45.9
81.03426	24.1
81.07069	48.3
82.04202	5.4
83.04992	23.3
83.08628	25.5
85.02914	15.9
85.06549	4.1
86.09698	4.8
87.04459	4.8
91.05489	35.3
93.07056	26.7
95.04986	17.7
95.08625	19.8
97.02905	11.5
97.06561	9.4
97.10181	30.4
98.07357	4.9
99.04438	3.2
101.06034	2.5
101.31052	2.0
105.07066	13.2
107.04992	9.8
107.08599	24.7
109.02905	2.6
109.06502	5.5
109.10170	69.9
111.04431	4.8
111.08078	8.6
116.04723	14.5
117.07024	7.6
119.08588	19.6
121.06548	5.3
121.10167	10.1
123.08106	5.0
124.99994	2.2
125.09649	32.5
127.11208	3.2
129.05502	26.7
129.06987	5.6
131.08595	10.0
133.10124	8.4
135.08051	5.9
135.11696	11.2
136.15552	1.8
137.09628	7.2
143.07028	6.5
143.10620	4.3
145.10136	10.7
147.08049	3.2
147.11804	4.7
149.02347	5.9
149.09590	3.9
153.12798	5.4
155.10652	5.8
157.08606	13.3
157.10052	4.7
161.09637	1.9
163.11194	15.4
164.11958	2.2
165.12775	3.0
171.10118	4.8
173.09537	3.6
173.11765	21.5
175.11255	2.4
184.07372	15.0
189.11241	6.2
191.10693	5.9
193.05008	2.4
193.12279	6.4
199.13309	17.0
200.14058	3.1
201.14891	2.3
209.11740	11.9
211.13374	4.1
217.14314	2.7
227.12767	17.5
228.23250	5.1
229.14401	48.1
255.15833	3.2
267.15936	8.3
280.94388	2.1
283.15570	12.0
283.18442	2.7
291.19861	3.1
292.19824	1.9
301.16501	62.8
326.24286	3.5
369.23032	2.5
371.24561	2.2
383.24261	8.2
399.23889	13.2
421.26065	3.1
437.25262	3.7
438.26407	2.9
455.26550	15.5
509.26706	2.4
527.28534	4.4
541.33691	4.4
553.33044	2.6
607.34338	2.4
625.35876	13.4
675.58881	2.5
778.53583	2.5
822.36755	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	821.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	22.6
60.08162	4.7
65.03930	9.3
67.05514	100.0
69.03426	9.3
69.07082	17.8
71.04977	8.8
71.07381	3.3
71.49194	5.3
71.49570	4.4
79.05504	78.1
81.03423	20.9
81.07063	86.0
82.07359	3.4
83.04970	18.7
83.08616	13.2
85.06538	5.9
86.09699	15.1
87.10088	3.8
90.15903	3.0
91.05487	72.4
93.07051	65.6
95.04985	41.8
95.08061	5.7
95.08618	60.4
97.02860	7.7
97.06518	10.3
97.10180	10.3
103.38503	3.1
105.07046	44.9
107.04964	43.9
107.08624	31.0
108.08948	4.0
109.06524	23.6
109.10173	25.3
111.04417	5.5
111.08063	6.0
111.38977	3.6
113.06052	3.9
115.05463	7.0
117.07049	29.0
119.04910	5.1
119.08591	34.1
121.06482	11.1
121.10142	24.5
122.07299	8.6
123.04478	4.4
123.08074	8.1
123.11716	5.8
125.00006	16.1
125.06029	5.8
125.09673	10.0
128.06229	3.8
129.07008	13.1
131.08563	24.2
132.05763	3.1
133.06508	17.5
133.10184	16.0
135.08060	12.9
135.11693	13.7
137.09595	3.5
143.08586	13.7
145.06516	12.6
145.10143	17.9
147.08090	18.5
147.11693	11.2
148.08858	3.8
149.09608	3.3
149.13341	5.4
151.07483	3.6
151.11205	3.8
155.08578	7.5
157.10104	5.1
159.08119	5.0
159.11691	14.3
161.09644	13.3
161.13211	3.9
163.11197	8.1
171.11749	7.9
173.04483	6.9
173.11804	4.0
173.13258	8.8
175.11234	7.7
177.12743	6.1
184.07370	57.2
185.07710	6.7
189.11165	6.8
205.15930	5.9
227.12799	9.3
233.15404	11.8
267.16248	3.7
271.16898	7.6
273.18469	11.6
289.17981	8.6
290.18826	15.0
307.19220	8.5
323.18829	4.1
335.25815	94.8
381.22672	18.7
436.09912	3.6
567.40283	5.2
595.39954	14.0
624.43628	5.2
641.44318	65.0
642.44653	6.9
662.85272	3.7
740.77191	4.0
821.49548	4.0
827.10870	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	820.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.9
58.13821	4.8
60.08163	6.4
67.05526	31.8
69.07061	5.0
71.49362	6.9
74.09732	5.5
75.57150	4.8
78.62440	4.4
79.05471	12.3
81.07064	23.2
86.09703	40.8
91.05432	9.0
93.07050	21.6
95.08617	24.7
104.10761	6.0
107.08625	14.4
109.10154	10.5
114.41136	5.0
118.67978	5.1
119.08556	10.3
121.10120	9.9
123.11766	11.1
124.99991	24.7
131.08574	9.7
133.10199	8.8
135.11688	7.6
145.10112	8.4
147.11797	5.5
149.48337	5.5
159.11717	6.1
184.07356	100.0
185.07420	5.7
261.22150	7.3
275.00510	5.7
331.70300	5.2
335.25790	75.3
336.26212	30.2
337.26651	13.1
445.62479	5.2
531.55194	6.2
595.46533	8.2
597.47772	9.0
789.17139	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	820.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	0.2
58.06357	0.2
58.06607	0.3
60.08167	6.8
67.05512	0.9
69.07066	0.3
70.94920	0.4
71.07378	3.6
79.05496	0.5
81.07062	0.9
83.08625	0.2
86.09709	32.9
87.10052	0.3
91.05497	0.5
93.07054	0.7
95.08605	0.5
97.10161	0.2
98.98465	4.6
104.10755	2.6
105.07024	0.3
107.08591	0.2
109.10122	0.3
116.81763	0.2
117.07018	0.3
119.08590	1.6
121.10046	0.2
125.00010	22.6
131.08492	0.3
133.10175	0.2
147.08055	0.4
159.08061	0.7
173.09598	0.2
184.07349	100.0
185.07657	0.8
186.46251	0.2
227.12839	0.2
229.14432	0.4
271.17053	0.2
289.17957	0.4
313.27341	0.7
335.25739	0.6
450.18475	0.2
496.33908	0.2
507.40463	0.2
587.46710	0.4
623.43048	0.8
650.43884	0.3
704.39197	0.2
704.48523	2.0
752.51898	0.4
770.53271	1.5
771.52295	0.2
788.53320	0.8
802.55164	0.3
820.57135	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	820.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.4
58.06357	0.1
58.06625	0.3
60.08168	6.3
67.05495	1.1
69.07082	0.4
69.16200	1.2
71.05001	0.2
71.07379	3.6
71.08636	0.3
79.05497	0.6
81.07065	0.8
83.08627	0.3
86.09709	29.4
87.10072	0.2
90.50583	0.1
91.05482	0.4
93.07051	0.5
94.39853	0.2
95.04992	0.2
95.08613	0.6
97.10217	0.2
98.20815	0.3
98.98470	3.5
99.75149	0.1
104.10742	2.7
105.07025	0.4
107.08596	0.3
109.10155	0.4
111.08030	0.2
117.07021	0.2
119.08590	0.4
121.10102	0.3
123.08044	0.2
123.11731	0.1
125.00010	20.6
125.09586	0.2
133.10136	0.2
147.04449	0.2
147.11711	0.2
149.09776	0.2
153.79620	0.1
159.08084	0.2
169.50272	0.1
184.07349	100.0
185.07704	0.6
227.12790	0.3
229.14375	0.5
250.93025	0.1
269.17441	0.3
272.82343	0.1
275.20038	0.3
289.17914	0.3
313.27362	1.0
335.25775	0.2
349.23581	0.2
363.21667	0.2
367.24890	0.1
467.37054	0.3
490.25031	0.2
496.33707	0.3
507.40326	0.7
587.46967	0.3
605.47675	0.2
606.49072	0.1
623.42548	0.2
653.70618	0.1
696.61176	0.1
704.48627	2.4
752.51910	0.5
770.53265	1.7
784.54926	0.2
788.53967	0.4
802.55530	0.2
820.57086	2.2
821.57562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
57.07073	0.3
57.89769	0.1
58.06366	0.2
58.06625	0.5
59.07402	0.1
60.08165	5.8
60.28863	0.1
61.10509	0.1
63.79628	0.1
67.05508	0.9
69.07066	0.4
71.05028	0.1
71.07371	4.0
71.08634	0.2
76.27712	0.1
79.05492	0.7
81.07056	1.4
83.04996	0.2
83.08628	0.3
86.09706	31.0
87.10068	0.2
91.05466	0.8
93.07050	0.7
95.04999	0.3
95.08631	0.7
97.06509	0.1
97.10149	0.3
98.98466	3.9
104.10741	2.7
105.07030	0.4
107.04948	0.2
107.08586	0.5
109.06481	0.1
109.10139	0.3
111.15449	0.1
117.07018	0.4
119.08576	0.7
121.10148	0.3
125.00006	21.3
125.09629	0.2
131.08604	0.2
133.06516	0.2
133.10117	0.4
143.08456	0.1
145.10095	0.2
147.08063	0.2
149.09563	0.1
159.07938	0.2
161.09575	0.1
161.13277	0.1
184.07339	100.0
185.07718	0.6
198.08948	0.2
227.12776	0.5
269.17395	0.2
271.16965	0.3
275.20050	0.2
289.17966	0.3
313.27524	0.7
335.25708	0.6
349.23526	0.2
363.21680	0.2
487.53262	0.1
496.33798	0.2
507.40140	0.5
587.46747	0.2
623.43054	0.7
641.43597	0.4
704.37305	0.2
704.48633	2.4
752.51404	0.3
770.53052	1.3
784.54431	0.3
788.53418	0.4
802.54694	0.3
810.41895	0.1
820.56915	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	820.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	0.3
58.06581	1.1
59.07402	0.7
60.08170	6.0
67.05510	0.8
69.07094	0.3
70.01460	0.3
70.01853	0.4
70.06619	0.2
71.07381	3.4
71.44278	0.2
79.05504	0.6
79.63177	0.2
81.07071	0.6
83.05002	0.2
83.08609	0.2
86.09714	29.7
90.18015	0.2
91.05494	0.6
93.07056	0.7
95.04948	0.2
95.08616	0.6
97.06561	0.2
98.98476	3.0
104.10759	2.2
105.07050	0.7
107.08607	0.4
109.10175	0.4
119.08557	0.4
123.42985	0.2
125.00016	19.6
131.08612	0.2
133.10159	0.3
135.11710	0.3
184.07356	100.0
185.07683	0.9
219.17404	0.2
222.08899	0.6
275.20041	0.7
335.25735	0.5
349.23523	0.3
354.12924	0.3
423.81238	0.2
550.35046	0.5
609.45380	1.1
650.43982	5.4
651.44183	0.3
667.58435	0.2
678.46582	0.2
694.77570	0.2
820.53619	2.6
821.52673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.3
57.07080	2.9
59.04988	1.3
60.08159	1.3
61.02912	1.2
65.03938	3.1
67.05511	45.9
67.17592	1.1
69.03433	6.5
69.07074	12.5
71.04990	2.5
71.07359	1.4
71.49487	1.9
78.04752	1.3
79.05500	45.7
81.03428	2.9
81.07064	38.6
83.04987	4.5
83.08625	26.7
85.02937	1.6
85.06555	2.9
86.09711	9.4
90.42776	1.1
91.05489	44.8
93.07050	34.6
95.04976	4.4
95.08614	22.3
97.06556	2.7
97.10177	53.7
98.98482	1.6
100.11257	1.5
101.09688	1.6
103.05497	1.6
105.04536	1.3
105.07037	14.4
107.04927	2.9
107.08604	32.1
109.06525	1.6
109.10166	14.2
110.10426	1.1
111.08087	3.9
115.05450	4.8
117.07025	27.4
119.08592	58.7
120.08915	1.7
121.06503	3.3
121.10161	10.3
123.08017	1.7
123.11745	1.9
124.99980	6.0
125.09641	56.2
128.06288	1.2
129.07043	4.8
131.08580	10.1
133.10098	5.3
135.08067	10.6
135.11699	7.0
143.08575	8.3
145.06496	24.7
145.10141	6.7
147.08057	4.6
147.11726	4.4
149.13254	3.4
153.09103	5.7
155.08549	3.0
157.10130	5.1
159.08061	11.4
159.11696	3.0
161.09654	2.2
161.13242	1.3
163.07584	2.6
163.14761	1.3
169.10127	2.7
171.10162	4.2
171.11549	1.4
173.09634	2.6
173.11906	1.3
173.13307	3.8
175.11237	1.5
183.11714	1.8
184.07352	33.3
189.11226	37.8
189.60721	1.2
211.11014	1.2
225.16441	3.2
227.12793	100.0
228.13225	2.0
235.15036	1.2
243.17461	3.7
243.21120	3.6
253.15871	2.7
261.22171	14.1
271.16956	54.6
273.18350	2.1
289.18015	14.5
301.07455	1.1
335.25818	33.1
345.20648	11.4
363.21756	17.9
408.69769	1.2
416.75262	1.1
487.34302	4.1
505.35217	11.8
605.42065	20.5
623.42993	43.9
624.42975	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	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.0
57.07080	2.5
59.04985	2.6
60.08158	3.1
65.03934	6.6
66.82496	2.0
67.05508	88.4
69.03433	9.0
69.07068	20.9
69.39421	6.8
69.39850	10.2
71.04992	1.9
71.07375	2.9
79.05496	80.5
81.03428	4.2
81.07056	76.5
83.04983	7.0
83.08624	45.7
85.06539	4.2
86.09718	24.1
87.04443	2.1
91.05484	71.3
93.06485	4.3
93.07050	66.6
95.04981	9.1
95.08610	47.6
97.06573	3.4
97.10172	80.0
98.98457	2.4
99.08100	2.4
103.05442	3.8
104.10740	2.4
105.07040	24.9
107.04956	3.8
107.08601	54.3
109.06507	4.6
109.10166	22.5
111.08085	3.7
115.05458	6.8
117.07023	39.7
119.08585	91.1
121.06547	5.2
121.10156	19.9
123.11736	3.6
125.00005	20.6
125.09634	74.5
128.06195	3.8
129.07014	3.5
131.08559	17.7
133.06482	2.3
133.10150	12.7
135.08070	16.6
135.11691	10.7
141.06978	4.0
143.08572	7.9
143.10655	3.0
145.06480	24.9
145.07541	2.9
145.10147	9.9
147.08063	7.5
147.11656	7.2
149.09641	2.4
149.13266	9.2
153.09143	8.4
155.08575	5.1
157.10173	6.4
159.08089	11.5
159.11688	8.9
161.09686	3.6
161.13234	5.1
163.14859	2.6
169.10117	4.4
171.10242	4.9
171.11653	3.3
173.09607	6.9
173.13292	7.4
175.14796	2.1
183.11639	3.3
184.07355	89.0
185.09593	2.5
189.11232	52.3
211.11209	3.5
217.23833	2.2
227.12790	100.0
235.14906	2.6
240.46259	2.2
243.17514	3.7
243.21115	4.7
245.13890	5.6
253.15857	6.1
261.22153	29.3
271.16956	74.3
275.20184	2.2
281.19009	2.1
289.17914	18.7
317.24747	5.8
335.25818	75.4
345.20621	18.0
363.21698	25.0
461.18951	2.9
487.34161	7.4
505.35275	52.0
506.62030	2.6
605.42004	37.8
606.41870	2.2
623.43091	88.0
624.43671	3.4
638.23035	2.1
820.53394	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	819.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	20.3
57.07057	8.6
60.23846	3.1
62.87370	3.4
63.41660	4.2
64.93678	3.2
65.03934	10.4
67.05509	100.0
69.03423	13.3
69.07065	26.1
69.15972	3.2
69.64468	3.2
69.72127	3.4
71.49623	5.3
79.05494	84.7
81.03419	24.1
81.07057	82.2
83.04988	20.2
83.08611	16.0
85.02881	7.6
85.06531	7.7
86.09684	4.9
91.05481	89.0
93.07050	73.0
95.04965	46.1
95.08604	51.1
97.02901	13.1
97.06539	20.5
97.10157	10.2
99.08089	6.2
103.05433	4.7
105.04518	5.3
105.06403	6.4
105.07043	71.8
107.04966	36.7
107.08594	38.6
109.02887	4.9
109.06531	39.7
109.10156	25.0
111.04434	5.5
111.08061	10.0
113.05978	14.3
113.09669	3.4
115.05486	7.7
115.19427	3.1
117.07020	37.1
119.04946	4.8
119.08591	48.2
121.06486	12.6
121.10158	25.1
122.07322	7.7
123.04430	5.0
123.08074	10.9
125.09639	5.9
127.03890	4.4
128.06212	8.6
129.05447	4.5
129.07022	22.5
131.08578	45.9
133.06485	13.3
133.10152	27.6
135.08049	26.8
135.11691	13.0
137.09647	4.6
141.06981	9.8
143.08540	24.2
145.06459	12.3
145.10115	36.2
147.08064	22.7
147.11685	18.5
149.06006	3.9
149.09616	7.8
149.13269	8.7
155.08560	6.3
157.10132	14.5
159.08105	4.8
159.11694	22.2
161.09598	19.5
161.13246	16.5
163.11168	10.1
165.09105	6.1
169.10123	7.5
171.11670	16.9
173.13251	11.1
175.11224	6.9
177.12714	6.1
183.11694	9.7
184.07368	8.3
185.13261	11.3
187.11163	7.2
187.14786	5.6
189.12762	6.8
195.11649	4.1
197.13216	7.3
199.14763	6.4
217.15866	4.9
223.13179	5.1
227.86282	3.5
229.14336	5.7
233.15356	9.3
239.14404	4.3
241.19606	4.6
257.18961	5.7
259.20612	13.8
273.18521	19.9
275.20129	19.1
276.10220	4.5
279.15921	10.7
290.18808	4.4
291.19559	37.2
315.23019	4.4
333.24292	21.8
349.23874	8.4
365.23355	8.8
381.22617	15.5
559.36066	5.2
593.38293	6.6
621.41522	4.0
639.42462	37.6
647.39911	4.2
657.43176	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	818.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
57.07066	1.9
60.08157	5.9
65.03946	2.4
67.05506	40.3
69.07074	11.0
71.04997	1.7
71.07340	3.5
71.40694	3.2
79.05501	21.7
81.07063	41.7
83.08627	7.0
85.02913	2.4
85.06560	2.5
86.09711	21.6
91.05492	13.3
93.07043	22.4
95.08618	32.1
97.06531	1.9
97.10168	3.1
98.98463	2.7
99.08091	2.2
104.10759	2.2
105.07044	11.0
107.08601	16.8
109.10155	18.3
117.07028	5.3
118.32018	1.5
119.08595	10.9
121.10148	13.8
123.11716	6.3
125.00011	16.6
131.08594	8.4
133.10165	9.9
135.07957	1.7
135.11671	13.1
137.13242	1.6
145.10089	8.2
146.41393	1.9
147.11649	8.1
149.13268	5.8
151.11230	1.8
159.11708	9.3
161.13260	7.3
163.14841	3.5
171.11688	1.8
173.13252	7.0
175.14810	2.9
184.07350	78.1
185.07671	2.3
185.13281	2.4
187.14835	2.9
241.19568	3.6
243.21147	3.8
259.20609	6.0
261.22144	20.6
263.23804	2.2
299.48392	2.1
317.24640	2.4
333.24261	6.0
335.25818	100.0
336.26044	4.8
337.27356	9.0
369.06036	1.7
514.20789	1.7
541.79126	1.8
551.39508	1.8
586.06000	1.8
595.47150	17.3
613.48462	7.7
640.09473	2.1
783.29517	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	20.3
57.07079	4.2
58.49354	2.1
61.02939	2.6
65.03934	4.9
65.68333	1.8
67.05507	67.9
68.99806	1.7
69.03435	40.3
69.07066	11.2
71.04984	9.2
71.48929	2.5
73.02923	17.0
79.05067	3.6
79.05495	39.7
81.03423	100.0
81.06599	2.7
81.07063	36.5
83.04979	26.4
83.08620	20.4
84.08128	2.1
85.02439	3.2
85.02909	38.4
90.25744	1.9
90.92207	1.8
91.05485	41.1
93.07043	26.7
95.04973	30.4
95.08607	13.7
97.02888	32.9
97.06526	6.8
97.10159	7.8
99.04433	9.6
101.02377	4.7
103.03968	3.1
105.07034	22.4
107.04964	16.8
107.08601	12.2
109.02887	20.8
109.06532	4.1
109.10159	38.4
111.04439	18.6
111.08068	11.5
112.11256	3.9
113.63331	2.0
115.03944	2.5
115.05430	3.6
117.07035	5.2
119.04948	7.0
119.08582	20.2
121.06490	5.2
121.10141	9.9
123.04433	6.7
123.08084	4.1
123.11675	4.4
125.09615	9.5
127.03909	24.2
129.05441	5.9
129.07014	10.7
129.13914	2.1
131.03412	2.5
131.04971	2.6
131.08565	10.4
133.06464	4.5
133.10127	10.0
135.04422	10.1
135.08064	4.7
135.11754	5.4
137.06010	2.9
137.09639	4.5
139.03825	2.6
142.07788	3.5
145.02771	4.6
145.04941	2.5
145.10121	7.7
145.11151	2.1
147.04431	20.5
147.08011	2.5
147.11681	14.6
149.09633	7.2
151.03848	2.7
153.05489	4.4
155.10643	2.3
157.08862	3.1
157.10077	13.1
161.06004	2.4
163.03870	3.7
163.11188	6.4
165.12772	7.4
167.07129	2.7
169.04350	2.1
173.04465	13.7
173.05917	4.0
173.11832	9.6
173.13019	2.4
175.11174	12.8
177.05475	8.9
177.29776	2.2
181.04971	3.0
181.12352	3.5
187.03902	2.4
189.11171	4.3
191.10657	4.1
193.12253	31.0
197.09581	2.2
199.06026	5.4
201.05531	3.3
204.10242	10.9
209.11714	9.7
211.13336	36.4
217.04964	5.8
217.07027	3.5
227.12752	11.3
229.14317	14.9
234.11269	3.8
239.27214	2.1
247.13124	2.6
267.15967	17.9
275.17490	3.8
277.14066	2.1
283.15463	7.4
285.16989	17.1
299.14890	2.9
301.16733	2.6
311.22079	2.3
329.14078	3.7
336.51590	1.9
353.15839	2.1
355.17682	3.8
373.18478	8.3
421.25916	14.5
439.26901	37.3
475.26773	8.9
493.28043	8.3
499.10962	2.1
565.29749	2.9
583.31177	14.9
598.15704	2.6
619.30518	2.7
620.81238	2.8
637.31921	7.8
641.32947	2.4
653.33264	2.8
671.34460	15.3
799.36169	2.8
817.37018	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	816.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.3
58.06359	0.2
58.06622	0.4
59.07106	0.1
59.07394	0.3
60.08164	6.6
63.76786	0.1
67.05509	0.8
69.07068	0.3
70.06608	0.1
70.31894	0.1
71.07370	4.0
71.50504	0.2
79.05495	0.5
81.07069	0.7
83.04993	0.2
83.08625	0.4
86.09706	32.6
87.04479	0.1
87.09521	0.1
87.10046	0.6
91.05469	0.6
93.07053	0.4
95.04969	0.3
95.08593	0.5
96.32327	0.1
98.25961	0.1
98.98465	3.8
102.84473	0.1
104.10747	3.0
105.07037	0.4
107.08594	0.3
109.06544	0.1
109.10139	0.3
109.91746	0.1
111.04465	0.1
119.08589	0.2
121.10147	0.2
125.00005	21.9
126.00348	0.3
127.00384	0.1
128.06213	0.1
133.10155	0.3
138.77963	0.1
143.01054	0.2
145.10144	0.2
159.11662	0.2
163.11198	0.2
166.02713	0.1
184.07341	100.0
185.07727	1.7
186.07797	0.4
205.26311	0.1
223.13266	0.2
246.68027	0.1
275.20059	0.3
293.20987	0.2
313.27307	0.3
381.22314	0.1
499.32513	0.1
716.48792	0.8
798.56818	0.6
816.57410	2.0
848.25146	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80587	0.1
57.07067	0.3
58.06607	0.2
60.08162	5.4
64.84307	0.1
67.05495	0.5
69.07085	0.3
70.06595	0.2
71.07371	3.4
71.08613	0.2
75.04494	0.1
77.28114	0.1
79.05491	0.5
81.03414	0.3
81.07047	0.7
83.04961	0.2
83.08622	0.2
86.09703	27.6
87.10036	0.3
91.05480	0.7
93.07048	0.5
95.04961	0.3
95.08604	0.4
97.06525	0.1
97.10192	0.2
98.21520	0.5
98.98454	3.4
104.10735	2.0
105.07011	0.2
107.04976	0.2
107.08595	0.2
109.06503	0.2
109.10130	0.2
111.04443	0.4
115.91525	0.1
117.07005	0.2
119.08565	0.2
121.10179	0.2
124.99999	19.2
131.08505	0.2
135.11690	0.2
145.10205	0.2
146.09639	0.6
149.09724	0.1
178.12227	0.5
184.07333	100.0
185.07687	1.1
241.14349	0.3
255.23045	0.2
265.14182	0.2
276.09964	1.6
283.15277	0.3
292.20044	0.1
313.27246	0.8
315.17999	0.4
521.38116	0.5
553.40582	0.5
714.46893	0.8
796.54425	0.4
814.55725	1.7
825.59460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.1
58.06629	0.5
59.07377	0.2
60.08168	5.4
67.05503	0.4
71.07375	4.2
71.50124	0.2
79.05492	0.4
81.07054	0.4
82.18610	0.1
86.09709	30.8
86.63949	0.1
87.10046	0.2
91.05495	0.3
93.07004	0.2
94.50245	0.1
95.08607	0.2
98.98469	3.6
99.08214	0.1
104.10742	2.0
105.07018	0.2
107.08566	0.2
109.10193	0.2
117.05151	0.1
119.08563	0.2
125.00011	22.0
146.09631	0.7
178.12271	0.9
179.78989	0.1
184.07349	100.0
185.07756	0.9
276.09933	1.4
518.32098	0.1
631.04541	0.1
758.29370	0.2
778.53857	6.6
779.52686	0.4
814.51929	0.2
838.58679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
57.07074	0.7
60.08166	5.4
61.02928	6.6
65.03940	1.3
67.05502	6.9
69.03440	3.7
69.07050	1.9
71.01368	0.7
71.07365	2.7
73.02924	4.9
78.68888	0.7
79.05495	4.7
81.03414	2.4
81.07047	7.3
83.04987	0.7
83.08636	1.0
85.02907	6.3
86.09707	21.8
87.10023	2.7
88.96784	0.6
91.03951	3.8
91.05498	5.5
91.31651	0.5
93.07053	5.5
95.08595	3.6
97.02884	6.1
98.21566	1.3
98.98444	3.6
100.98825	0.6
101.02388	2.1
104.10762	2.2
105.07028	3.0
107.08601	2.6
109.02911	0.8
109.10162	2.0
111.57457	0.7
117.07018	1.5
117.91521	0.6
119.08606	2.0
121.10149	1.8
125.00005	15.8
127.03935	2.1
129.05553	0.7
131.08574	1.2
133.10133	1.8
135.11716	1.0
145.10158	1.0
147.11711	1.1
159.11790	0.8
161.13306	0.7
184.07335	62.2
185.04268	1.2
185.07701	7.2
229.05322	0.8
232.03885	0.6
243.08461	2.5
259.20605	1.3
301.09116	1.0
315.10565	0.8
465.20984	1.0
519.29224	7.8
535.28735	4.9
541.41833	0.8
716.88586	0.7
746.81787	0.6
793.32532	0.8
813.51196	100.0
814.51801	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	813.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47262	2.0
81.07055	2.2
86.09706	3.9
98.21552	4.4
132.05260	2.1
147.20789	2.2
184.07365	14.6
678.24170	2.2
813.49103	100.0
814.49329	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	813.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.4
57.07064	0.8
65.03932	4.0
66.04739	0.8
67.05508	20.5
68.99793	1.0
69.03107	1.6
69.03379	4.5
69.07073	4.6
70.75240	2.6
71.04992	1.2
77.03914	1.3
79.05078	1.5
79.05499	19.7
81.03423	33.8
81.07060	17.2
83.04971	8.3
83.08627	7.6
85.02907	2.0
85.06523	1.6
89.03870	0.8
91.05482	22.5
93.02459	0.9
93.03387	1.6
93.06572	1.0
93.07056	12.2
95.04971	17.5
95.08610	9.8
97.02866	1.7
97.06521	2.0
97.10200	4.4
103.05503	1.4
105.07037	10.8
106.52417	0.9
107.04968	12.4
107.08587	7.3
109.02872	1.6
109.06522	29.2
109.10140	3.3
111.04466	5.5
111.08067	2.7
115.05446	6.5
117.07054	5.0
119.08604	9.3
121.02866	4.4
121.06510	7.7
121.10148	3.0
123.04411	4.5
123.08058	4.1
125.02322	1.3
125.05996	1.2
125.09595	2.0
128.06195	1.2
129.05479	1.4
129.07022	7.9
131.04904	1.7
131.08556	7.9
133.06480	2.7
133.10149	5.3
135.08049	9.6
135.11713	0.9
137.02237	0.9
137.05997	1.3
139.03889	2.5
139.05428	1.1
141.07027	4.4
142.07762	2.0
143.04901	1.5
143.08557	1.5
145.06471	3.0
145.10115	3.4
147.04425	2.6
147.08063	3.4
147.11691	4.6
149.05989	1.6
149.09604	3.0
151.03935	1.1
153.06996	5.3
155.04942	1.8
155.08496	2.5
157.06436	2.0
157.10097	4.1
159.04396	1.4
159.08102	1.5
160.05127	1.0
161.05995	12.2
161.09566	1.0
163.03941	7.5
163.07468	0.8
163.11137	4.6
165.05492	0.9
165.06982	2.8
167.08557	2.4
169.06506	3.6
171.04436	1.7
171.08051	2.3
173.05992	68.3
173.13214	1.9
174.06380	1.1
175.03876	3.4
175.07523	3.0
175.11197	4.0
177.05482	1.0
179.08556	2.0
181.06491	9.4
183.04408	0.9
183.08069	2.4
184.05115	1.3
185.06023	8.5
187.03888	4.4
187.07549	11.6
189.05443	7.0
191.10660	1.8
191.14339	5.3
193.06432	1.4
193.10342	1.9
193.12251	12.7
195.04356	1.3
195.06483	1.0
195.08093	4.5
197.05989	11.1
198.06706	1.3
199.03862	5.2
199.07556	17.8
201.05469	24.7
201.09067	2.7
201.12767	1.9
203.06992	1.0
205.10092	1.3
207.08037	2.0
209.06009	1.9
209.09607	1.0
210.06699	2.2
211.07555	10.3
211.13249	5.0
213.05508	18.1
213.09082	8.5
215.03511	1.1
215.06999	4.8
217.04973	100.0
218.05287	1.7
219.08083	1.9
219.12074	1.0
219.13809	27.2
220.13995	1.3
221.06009	1.5
221.09656	1.2
223.07509	5.2
223.11218	1.0
223.13397	0.9
224.08266	1.1
225.05479	14.7
225.08948	4.5
226.06079	2.6
227.06999	12.6
227.10545	1.4
229.04984	6.8
229.08499	1.4
231.06442	2.0
235.07571	1.8
237.09149	2.8
239.07008	7.5
239.10706	1.8
241.04849	2.8
241.08517	2.7
243.06512	3.7
247.07524	2.0
247.11316	1.6
249.09048	2.4
249.12689	1.5
249.15065	1.7
250.09959	1.0
251.07082	1.4
251.10649	1.6
253.08635	3.8
253.12500	1.4
255.06493	1.2
261.09143	1.8
263.06943	1.7
263.10480	1.3
265.08551	2.0
265.12170	1.9
267.10541	1.4
267.13235	4.5
267.16150	8.8
275.10553	1.9
277.08688	1.9
277.11737	1.0
281.15372	2.3
283.13330	3.5
285.14767	3.2
291.13739	4.4
293.11749	1.1
293.17502	4.9
295.13260	1.8
299.16367	1.4
301.12100	1.9
309.14725	7.6
311.12820	20.2
311.16257	1.4
313.14349	7.3
319.12970	5.5
327.15891	7.1
329.13849	67.8
330.14093	2.4
335.16104	1.0
337.14304	24.1
338.14767	1.2
339.16000	0.9
342.15930	0.9
345.17026	1.3
347.15167	1.0
355.15402	28.8
367.17889	1.3
373.16486	6.5
377.17386	1.5
385.16446	50.2
386.16748	2.5
389.17551	1.5
403.17612	8.7
409.97125	0.9
411.18036	8.8
421.16251	1.9
429.19131	15.4
447.20749	0.9
483.25323	1.3
485.17892	4.0
501.26663	5.5
503.24536	1.5
511.25171	1.3
521.25439	1.5
529.26099	9.0
547.27063	6.9
559.21582	1.6
565.27448	2.4
575.29919	3.5
577.27490	2.8
593.31073	6.4
595.29181	4.1
603.29724	11.1
608.31982	0.9
621.30634	32.4
622.30750	2.6
639.31744	6.3
721.31555	1.1
751.31958	1.1
777.33240	1.3
795.36102	4.1
813.36853	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	813.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.2
65.03940	3.5
67.05507	19.8
68.99788	0.8
69.03412	3.4
69.07079	3.5
71.01340	1.2
71.04978	1.5
79.05070	1.1
79.05495	16.1
81.03420	24.1
81.07059	17.7
83.04986	9.6
83.08616	8.2
85.02914	5.1
85.06535	1.6
91.04907	1.6
91.05480	23.2
93.03438	1.9
93.07053	8.5
95.04969	17.4
95.08617	8.5
97.02874	1.5
97.06525	2.5
97.10168	3.2
98.20735	2.4
99.08095	1.2
103.05450	1.9
105.04496	1.1
105.07033	13.5
107.04954	6.7
107.08599	4.5
109.06511	7.5
109.10152	2.6
111.04452	7.6
111.08068	3.2
115.05453	4.5
117.07000	2.9
119.08586	9.1
121.02866	5.7
121.06512	2.5
121.10151	3.2
123.04445	2.5
123.08063	1.9
123.11690	0.9
125.09636	1.5
128.06197	0.8
129.07007	7.2
131.04915	0.9
131.08582	4.9
133.06461	2.0
133.10152	6.0
135.04437	1.2
135.08022	2.3
135.11668	1.1
137.02400	0.9
137.09625	0.8
139.03905	2.0
139.05441	1.2
141.06963	2.1
142.07780	1.5
143.04857	1.3
143.08582	1.7
145.06488	2.2
145.10136	2.5
147.04399	1.3
147.08044	1.7
147.11697	6.2
149.05968	1.8
149.09627	2.4
152.06203	0.8
153.06985	5.8
155.04921	1.7
155.08537	2.5
157.04922	1.0
157.06503	2.2
157.10133	5.2
159.04451	0.9
160.05135	0.9
161.05984	11.4
163.03888	5.7
163.11182	2.4
165.07036	1.8
165.12814	1.9
165.89740	0.7
167.04927	0.9
167.08562	2.2
169.06473	2.8
171.04437	0.9
171.08109	0.7
173.05991	70.5
174.06389	1.4
175.03874	1.3
175.07552	2.0
175.11220	5.4
177.05470	1.3
179.08557	0.9
181.06474	8.5
181.12286	0.9
183.08025	2.4
185.06027	4.8
187.03854	3.1
187.07533	11.4
189.05518	6.6
189.09219	1.0
191.14256	1.5
193.06439	1.5
193.12241	12.4
195.08098	3.8
197.05991	7.9
197.09610	0.8
198.06764	1.8
199.03914	2.9
199.07541	20.0
200.04576	0.7
200.08070	0.8
201.00426	0.8
201.05473	33.1
201.09064	1.3
201.12767	0.8
203.07013	1.3
207.08022	1.6
209.06081	1.9
209.09613	0.9
210.06763	2.0
211.07545	7.9
211.13277	16.1
213.05522	9.8
213.09071	9.3
215.03458	2.0
215.07010	4.7
217.04968	100.0
218.05302	2.4
219.13785	4.9
221.05960	1.2
223.07532	4.4
225.05446	6.3
225.09012	3.8
226.06201	1.6
227.07018	10.2
227.10568	1.5
227.12794	1.2
229.04996	8.3
231.06433	1.4
235.07475	1.2
237.09105	2.6
239.07008	4.0
239.10684	1.6
241.04991	3.5
241.08641	3.2
241.12216	1.2
243.06606	2.4
247.11124	0.9
249.09071	1.3
249.14912	1.2
250.09811	1.3
251.07213	1.3
251.10587	1.5
253.04990	0.9
253.08578	1.6
255.06447	1.0
255.13837	2.3
261.09061	1.3
265.08923	1.1
265.12234	3.4
267.11057	0.9
267.13278	4.1
267.16245	6.4
273.07388	1.3
277.08771	0.9
277.11929	1.2
281.15317	1.5
283.13120	4.8
285.14542	1.6
285.17343	1.8
291.13657	1.8
293.11691	2.3
295.13019	0.9
299.16290	1.3
301.12177	1.3
309.14795	4.4
311.09210	1.6
311.12787	26.7
311.15936	1.3
313.14310	7.9
319.13266	2.7
327.15958	5.9
329.13837	77.9
330.14066	3.0
331.15707	1.0
337.14273	12.1
343.15692	0.8
347.14993	1.1
355.15414	27.3
356.15704	1.5
367.17429	2.3
373.16547	5.4
385.16464	45.4
386.16779	1.8
393.16910	0.9
403.17545	4.0
411.18057	3.3
421.16592	2.0
429.19153	13.2
439.17389	0.9
447.19849	0.8
463.10492	0.8
467.16788	1.4
482.30084	0.9
485.18042	2.7
501.26523	1.1
503.24411	1.0
529.25922	2.0
541.21094	1.0
547.27423	1.5
565.27167	1.0
577.28040	1.7
593.30823	1.6
595.28998	5.9
603.30170	3.4
613.29797	2.3
621.30444	10.4
639.31451	4.0
751.33075	2.6
769.34357	9.7
776.33514	0.9
795.35767	2.5
813.37164	12.0
814.37488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06630	0.5
59.07399	0.2
59.80684	0.1
60.08167	6.4
67.05516	0.3
70.04576	0.5
71.07375	3.9
79.05502	0.4
86.09711	31.5
87.10055	0.3
91.05515	0.2
93.07049	0.3
95.08620	0.3
95.37312	0.1
96.48300	0.1
98.98470	4.1
104.10758	2.2
105.07090	0.1
106.20471	0.1
107.08597	0.1
125.00010	23.0
131.08493	0.1
143.01015	0.2
184.07350	100.0
185.07684	0.8
221.83110	0.2
283.06491	0.1
290.81024	0.1
378.98950	0.1
496.45901	0.1
516.30457	0.2
518.31915	0.2
544.02020	0.1
601.40613	0.1
651.85364	0.1
776.52228	6.0
777.52167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.1
57.07077	0.2
57.76002	0.1
58.06641	0.5
58.74091	0.1
60.08165	6.2
67.05502	0.9
69.07076	0.2
69.27101	0.3
69.27527	0.7
71.07376	3.9
71.08630	0.2
71.97378	0.1
79.05511	0.7
81.03411	0.2
81.07047	0.6
83.08608	0.2
85.02905	0.1
86.09708	30.2
87.10051	0.4
91.05470	0.6
91.34541	0.1
92.43957	0.1
93.07089	0.6
95.04986	0.2
95.08602	0.4
98.98466	3.4
99.32391	0.1
104.10753	2.4
105.07036	0.4
107.08578	0.2
109.10184	0.2
119.08562	0.2
121.10162	0.2
125.00008	21.3
126.00385	0.3
127.00347	0.1
129.06956	0.2
131.08522	0.1
133.10130	0.1
135.11667	0.2
138.56262	0.1
143.08540	0.1
157.10194	0.2
171.11693	0.1
184.07344	100.0
185.07712	1.7
186.07800	0.3
193.12299	0.2
214.13542	0.1
275.20090	0.2
291.19452	0.3
293.21130	0.2
341.30438	0.2
510.37167	0.1
523.89471	0.1
551.41583	0.1
571.35919	0.2
629.46948	0.3
726.46112	0.2
753.46149	0.2
777.49316	0.2
794.52509	0.2
812.54443	2.8
813.53198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.4
60.08168	6.5
66.31841	0.2
67.05518	0.3
70.06615	0.3
71.07375	3.7
71.49809	0.3
71.85100	0.2
72.65353	0.2
81.07045	0.4
86.09708	32.1
87.10027	0.3
91.05529	0.3
93.07059	0.3
95.08617	0.3
98.98463	4.0
104.10745	2.5
105.07058	0.3
118.88116	0.2
124.24500	0.2
125.00009	21.9
133.62231	0.2
143.87108	0.2
146.09650	0.3
154.01378	0.2
162.65675	0.2
178.12294	0.3
184.07346	100.0
185.07701	1.0
186.07890	0.2
276.09961	0.8
555.57776	0.2
668.41089	0.2
794.53271	7.4
795.52710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
61.02930	4.5
65.03951	0.9
67.05511	7.0
69.03429	5.5
69.07059	3.6
71.01380	0.8
71.04997	2.4
71.33637	1.6
73.02919	3.6
77.73291	0.7
79.05501	8.1
81.03425	5.6
81.07066	7.6
83.04987	1.7
83.08635	2.1
85.02901	6.0
86.09718	2.2
91.03963	2.7
91.05482	7.9
93.07048	8.9
93.07568	0.8
95.04986	2.5
95.08628	5.0
97.02890	5.6
97.06566	1.9
99.04461	1.4
101.02398	1.8
101.55283	0.8
105.07014	4.5
107.01707	0.7
107.04954	1.2
107.08592	3.5
109.02902	1.0
109.06540	0.9
115.03963	0.7
115.05489	0.8
117.07045	1.6
119.08587	3.8
121.06558	0.8
121.10181	2.6
123.08077	1.2
125.00032	1.6
125.09622	0.9
127.03927	2.3
129.06976	1.8
130.13501	0.7
131.08588	3.1
131.73965	0.7
133.10155	1.6
135.11703	1.4
141.06952	0.7
144.00598	0.7
145.05017	0.9
145.10123	1.0
147.11725	3.0
149.09665	1.5
157.10167	1.5
161.13284	0.7
171.11761	1.4
173.04643	0.7
175.11234	0.7
184.07353	6.8
193.12389	1.2
197.45010	0.7
198.26740	0.7
203.05312	0.7
207.13927	1.4
225.14989	1.1
243.08418	4.2
253.14178	0.9
273.33420	0.6
281.17572	2.1
283.15222	3.7
333.20551	2.7
339.18259	1.7
389.23062	1.0
439.19833	1.1
453.21140	1.4
469.20386	1.1
483.21597	0.8
487.30624	3.3
501.23166	12.0
551.28339	8.6
811.44495	100.0
812.44891	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	811.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74584	1.3
57.03432	3.3
61.02932	8.0
65.03973	1.4
67.05506	9.1
69.03431	4.3
69.07082	3.8
71.05000	2.6
71.49470	1.7
73.02911	5.4
79.05492	10.9
81.03436	6.9
81.07065	5.9
83.08634	3.0
85.02895	10.8
86.09728	2.2
87.04520	1.5
91.03963	2.8
91.05499	9.7
93.07049	8.9
95.04987	2.3
95.08636	4.4
97.02895	9.0
97.06571	2.3
101.02411	2.5
105.07056	8.0
107.08578	3.0
109.10165	3.9
119.08587	6.4
121.10154	3.2
124.99949	1.7
127.03893	2.2
129.06998	2.4
131.08609	2.0
133.10127	3.9
135.11711	1.5
145.10204	2.3
147.08066	1.6
147.11729	4.5
149.09656	3.2
157.10136	1.8
171.11786	1.8
184.07303	6.6
191.53442	1.4
192.53908	1.5
243.08423	6.3
247.13118	1.4
271.10400	1.5
283.15167	8.3
301.09042	1.9
323.18335	1.7
358.44000	1.3
413.17773	3.5
448.02835	1.5
465.21030	19.5
501.22995	21.8
502.23541	1.6
529.22461	1.7
535.28845	3.1
551.28448	4.0
607.01483	1.5
614.36383	1.9
641.31262	2.0
693.34607	3.8
707.27216	2.5
707.39716	34.8
708.40021	2.1
713.37616	4.0
725.37201	100.0
726.37750	7.0
765.41058	4.0
793.43427	14.6
811.43958	47.6
812.44305	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	810.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.4
60.08168	6.1
60.15924	0.2
67.05522	0.7
70.06611	0.3
71.07378	3.8
79.05502	0.5
81.07053	0.9
86.09712	32.0
87.10017	0.2
90.49460	0.2
91.05474	0.3
93.07057	0.6
95.04990	0.5
95.08619	0.4
98.98470	4.4
98.99065	0.4
104.10751	3.0
105.07037	0.4
107.08611	0.3
117.07023	0.3
119.08575	0.6
125.00014	22.8
125.09651	0.4
146.09636	0.3
163.31406	0.2
184.07352	100.0
185.07700	0.7
230.63609	0.2
275.27219	0.3
276.09900	0.6
291.19534	1.4
324.19519	0.3
335.25525	0.4
418.33234	0.3
520.34375	0.4
551.31592	0.3
560.98944	0.3
639.64124	0.2
669.07910	0.3
683.17749	0.2
810.52661	5.0
811.51764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06630	0.4
59.07395	0.1
60.08167	5.8
67.05509	0.3
69.07051	0.2
70.99146	0.3
71.07378	3.4
79.05498	0.2
81.07047	0.2
86.09708	29.0
87.10036	0.2
91.05488	0.4
93.07041	0.2
95.72452	0.1
98.98470	3.2
104.10751	2.0
105.07033	0.3
107.08614	0.2
118.86848	0.1
119.08534	0.1
125.00008	20.1
126.00386	0.1
133.08640	0.1
143.01143	0.1
148.84378	0.1
184.07346	100.0
185.07680	0.8
262.29803	0.1
516.30658	0.3
774.50720	4.1
775.50568	0.4
810.49213	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06630	0.4
59.07386	0.1
60.08164	6.5
67.05501	0.3
69.07091	0.2
70.06560	0.1
71.07376	3.8
72.07675	0.1
79.05494	0.2
81.04206	0.1
81.07065	0.3
86.09707	32.7
87.10027	0.4
91.05481	0.3
93.07054	0.2
95.04991	0.1
95.08624	0.2
98.98467	4.3
101.04508	0.1
104.10741	2.7
107.08561	0.1
109.10154	0.2
121.10139	0.1
125.00005	21.2
126.00367	0.2
143.01054	0.2
166.02742	0.1
168.73547	0.1
184.07339	100.0
185.07687	1.6
186.07774	0.3
280.02057	0.1
406.43381	0.1
496.58365	0.1
712.44745	0.4
774.50610	0.1
792.52197	0.5
810.52924	1.5
811.51898	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17681	0.1
58.06631	0.5
58.48064	0.1
59.07403	0.1
60.08167	6.7
67.05509	0.2
70.06582	0.1
71.07375	4.1
71.49746	0.2
79.05507	0.2
81.07066	0.1
86.09708	32.7
87.10007	0.5
91.05495	0.2
93.07013	0.2
95.08617	0.1
98.98467	4.4
104.10748	3.3
109.10117	0.1
116.59747	0.1
125.00008	23.0
126.00356	0.2
134.88029	0.1
146.09673	0.2
164.10652	0.1
166.02690	0.2
177.38474	0.1
184.07344	100.0
185.07722	1.7
186.07765	0.4
244.07430	0.1
290.07816	0.2
574.43445	0.1
658.11450	0.1
712.45062	0.4
774.51038	0.1
775.88434	0.1
792.51221	0.4
810.52747	2.7
811.52246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06379	0.1
58.06626	0.4
60.08165	6.4
61.92600	0.1
67.05508	0.3
69.33324	0.6
69.33756	0.5
71.07370	4.2
75.28749	0.1
79.05489	0.2
81.03444	0.2
81.07045	0.2
86.09707	32.5
87.10042	0.4
91.05487	0.3
93.07035	0.2
95.04972	0.1
95.08581	0.2
98.98465	4.1
100.38853	0.1
104.10742	3.3
105.07047	0.3
105.16184	0.1
107.08627	0.2
124.60117	0.2
125.00008	21.9
135.11710	0.1
143.01057	0.2
144.31461	0.1
155.08366	0.1
184.07341	100.0
185.07700	0.9
196.95216	0.2
408.68335	0.1
517.28223	0.2
657.40887	0.2
792.51648	6.4
793.51135	0.5
795.81653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	12.8
57.07066	5.2
61.02925	4.6
61.58130	4.2
65.03933	6.8
67.05506	99.4
68.03400	4.4
69.07069	28.2
69.17658	7.2
69.18066	38.7
79.05077	7.4
79.05496	79.1
81.07056	75.3
82.36520	4.6
83.08618	9.2
86.09701	9.9
91.04990	6.4
91.05492	79.5
93.06492	6.4
93.07049	100.0
95.04972	4.5
95.08604	70.7
97.10136	7.5
98.20726	8.7
105.04478	5.0
105.07032	81.7
107.08588	44.4
109.10176	30.5
117.06999	22.4
119.08588	58.6
121.10133	38.3
123.08049	6.6
123.11686	11.9
129.06953	12.4
131.08571	43.6
133.10129	57.0
135.11688	28.3
143.08542	12.2
145.10127	28.1
147.11696	50.2
149.13258	15.3
157.10123	15.5
159.11707	26.3
161.13187	27.0
163.11182	4.3
163.14743	7.0
171.11665	16.7
173.13318	11.9
175.14795	5.9
183.11694	4.8
184.07364	17.0
185.13303	6.3
187.14839	8.2
190.23593	5.0
191.17793	5.2
196.66597	4.2
197.13182	5.9
199.14732	7.6
231.21143	5.6
241.19542	21.0
257.18988	5.1
259.20557	59.7
261.22131	8.3
275.20209	4.3
301.21414	5.7
315.23135	7.7
333.24240	46.7
335.25848	69.9
362.07135	4.9
593.45056	8.9
611.46729	44.7
701.47778	5.5
749.42432	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	808.5704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51449	0.2
58.06642	0.5
59.07406	0.1
60.08170	5.9
60.24430	0.1
66.20541	0.1
67.05513	0.8
69.07054	0.2
70.06593	0.2
70.07934	0.3
70.08337	0.5
71.07382	3.6
73.85349	0.2
79.05509	0.3
81.07069	0.6
83.08613	0.2
86.09713	31.3
87.10055	0.2
91.05474	0.5
93.07046	0.4
95.08619	0.4
97.06598	0.2
98.98473	3.7
101.95134	0.2
104.10757	2.5
107.04934	0.2
107.08573	0.2
111.04458	0.2
119.08612	0.2
125.00014	20.5
133.10104	0.2
146.09666	0.5
149.09630	0.2
169.32719	0.2
184.07353	100.0
185.07780	1.0
192.17496	0.2
205.44962	0.2
244.07370	0.3
254.05875	0.3
302.93604	0.2
304.09534	0.5
373.18655	0.2
467.37122	0.2
496.33862	0.2
650.44092	1.8
690.47119	1.8
733.92932	0.2
754.53479	0.5
772.54828	1.3
790.55780	1.4
808.57727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	17.6
59.05003	2.5
61.02929	3.2
65.03935	5.1
67.05515	100.0
69.03436	9.9
69.07078	34.3
70.08462	1.9
71.04996	8.1
71.47923	3.1
73.02925	3.2
78.22398	1.9
79.05505	59.3
81.03428	45.1
81.07072	78.1
83.04991	18.6
83.08636	28.6
85.02920	19.8
85.06550	6.5
86.09718	5.7
91.05495	63.8
93.07056	50.2
95.04987	27.8
95.08623	36.9
97.02901	6.7
97.06558	20.2
97.10192	16.0
98.07330	2.6
99.04458	2.3
105.07049	40.9
107.04948	16.7
107.08620	31.0
109.02858	3.3
109.06523	10.5
109.10172	42.1
110.07374	2.2
111.04389	3.5
111.08104	14.6
116.04713	5.9
117.07026	12.3
119.08595	34.4
121.06505	5.0
121.10160	21.2
123.08091	9.6
123.11684	3.8
125.09662	12.4
126.89038	2.1
127.03932	3.3
127.07519	2.3
129.05482	14.2
129.07025	13.5
131.08604	26.5
133.06532	3.9
133.10158	25.0
135.08044	7.3
135.11693	7.9
137.09650	12.0
142.07716	2.3
143.07045	4.0
145.10161	15.0
147.08075	4.4
147.11710	20.3
149.09651	20.8
149.13268	6.8
151.11195	3.7
155.10725	3.7
157.08630	7.9
157.10138	12.9
159.11702	8.5
161.13318	3.5
163.11206	6.8
165.12852	2.8
167.07051	4.7
168.79803	2.1
171.06593	2.1
171.10201	4.9
171.11687	2.3
173.11804	17.6
173.13237	4.1
175.11218	11.2
177.12790	5.3
184.07466	10.3
189.11215	6.7
193.10678	1.6
193.12259	40.8
195.13866	3.6
197.13261	3.1
199.13365	8.8
209.11723	3.6
211.13303	46.2
227.12822	11.2
229.14378	25.7
239.18126	2.4
243.08919	2.4
247.20612	3.6
255.15974	2.6
257.19031	5.8
267.15961	26.6
269.17520	19.8
272.09549	1.8
273.18488	5.3
275.20105	28.8
283.15430	7.3
285.04895	2.1
285.17035	29.2
291.19525	6.3
293.21204	4.6
301.16476	33.4
337.33594	1.9
349.23672	26.6
365.23203	3.0
367.24963	2.7
371.24057	2.5
381.22711	2.7
383.24344	5.0
402.64810	2.1
421.25922	8.4
423.27515	7.3
437.25311	2.1
439.27026	25.3
455.26288	15.3
456.51450	2.1
461.29050	4.8
477.28781	2.6
479.29956	14.7
495.29517	14.8
541.28052	2.7
541.35071	11.0
559.36395	22.2
560.36707	3.5
575.35913	12.9
577.37067	4.9
593.36908	10.8
594.46155	2.2
808.38287	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	807.444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
64.70171	0.4
68.05027	0.8
69.03420	0.6
71.49913	0.7
78.69749	0.5
83.04989	1.1
85.02901	0.7
91.05476	0.5
93.03442	0.7
93.07004	0.8
95.05008	0.7
99.00872	0.6
103.05473	0.8
105.07121	0.5
107.04996	0.6
108.08116	0.9
109.02880	0.7
111.04458	1.1
115.05471	0.9
117.05760	0.5
117.07034	2.9
124.03972	0.9
129.05478	0.7
130.06541	0.7
131.04924	0.8
135.34056	0.4
137.06001	1.1
139.03908	0.5
143.07339	2.7
143.08284	0.5
144.08098	100.0
145.08444	1.2
147.04457	0.5
149.06020	0.6
155.06027	1.0
156.08139	2.0
157.05042	0.5
158.09637	2.2
161.06006	0.7
167.07094	2.0
170.09715	3.3
178.08633	5.2
181.05034	1.1
181.08769	0.7
182.09686	2.3
185.10759	0.8
199.12314	1.1
208.09749	0.9
210.11258	7.0
219.10406	0.6
222.11252	1.2
252.10251	2.0
278.11911	1.0
284.12888	1.3
290.75931	0.4
321.15985	1.5
341.69550	0.5
353.18637	89.7
354.18887	3.6
531.59503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
61.02909	2.8
67.05511	31.1
69.07075	9.9
71.08651	2.2
75.91543	1.6
78.01318	2.0
79.05505	20.7
81.06601	3.0
81.07063	30.9
83.08609	3.3
86.09724	2.8
91.03976	2.0
91.05490	13.9
93.07060	21.0
95.04976	1.8
95.08609	23.4
97.10128	2.9
105.07024	10.1
107.08595	13.8
109.10166	11.2
117.07014	4.4
119.08572	7.6
121.10172	14.0
123.08038	2.6
123.11702	5.1
131.08600	6.1
133.10146	9.3
135.11713	9.5
137.13319	2.3
145.10100	5.2
147.11714	6.3
149.13257	5.0
159.11697	6.3
161.13289	4.4
163.14796	3.6
173.13264	4.4
175.14830	3.1
179.14293	4.2
182.65910	1.9
184.07359	7.4
187.14723	3.0
221.73665	2.0
243.21062	5.1
248.18477	2.1
259.20538	3.1
261.22095	13.3
270.88626	1.9
301.74399	1.9
304.26428	9.8
317.24860	2.6
331.26691	2.8
333.24045	2.5
335.25806	100.0
336.26208	2.7
337.27286	4.1
358.94287	1.8
387.28955	8.4
405.29770	2.7
595.47272	13.0
613.48212	4.5
665.50909	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	806.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.0
57.46749	0.1
58.06622	0.4
59.07383	0.2
60.08167	6.2
61.61405	0.1
67.05512	0.3
69.07056	0.1
69.14969	0.3
69.15389	0.9
70.06606	0.2
71.07378	3.7
79.05510	0.4
80.97434	0.1
81.07046	0.3
86.09710	32.0
87.10048	0.3
91.05465	0.2
93.07043	0.2
95.08594	0.2
98.98469	3.5
104.10748	3.1
105.06985	0.1
107.08610	0.1
109.10164	0.2
115.91758	0.1
119.08563	0.1
122.42796	0.1
125.00008	21.5
143.01076	0.2
177.78410	0.1
184.07347	100.0
185.07680	0.8
196.64136	0.1
210.30930	0.1
226.09833	0.1
333.16782	0.1
496.33963	0.2
650.43964	1.0
690.47223	1.1
752.51025	0.4
770.53583	1.1
788.54388	1.3
806.41449	0.2
806.55334	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	806.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	21.4
65.03952	6.5
67.05514	98.1
69.03434	12.7
69.07073	35.4
69.48836	14.2
69.49248	8.5
71.05003	18.5
79.05072	6.0
79.05504	75.2
80.05817	3.9
81.03429	74.8
81.07069	83.6
83.04990	25.5
83.08628	34.0
85.02921	31.3
85.06548	7.9
86.09729	12.3
87.04484	4.0
87.95160	3.4
90.89423	2.8
91.05495	92.0
93.07056	68.3
95.04976	40.6
95.08624	34.7
97.02914	8.1
97.06538	30.2
97.10185	14.4
97.50664	3.6
99.04490	4.7
105.07051	51.8
107.04997	17.0
107.08614	47.2
109.06526	14.7
109.10180	23.8
111.04459	5.0
111.08094	13.9
113.05991	3.8
115.05476	4.1
117.07033	25.4
119.08598	39.6
121.06512	8.9
121.10166	32.3
123.08086	7.1
123.11720	7.1
125.09644	9.0
129.05515	6.7
129.07016	21.0
131.08603	36.4
133.06511	4.5
133.10129	32.3
135.08089	8.4
135.11705	7.9
136.64365	3.5
137.09612	6.8
139.07486	3.8
139.96976	3.3
143.08649	3.9
145.10133	20.5
147.08092	8.5
147.11670	18.8
149.09686	19.9
149.13275	11.9
151.11160	5.3
155.08585	5.7
157.10143	20.6
159.11708	9.5
161.09595	4.7
163.11131	9.4
165.12741	4.2
171.11684	5.5
175.11206	18.0
177.12747	8.7
184.07329	39.4
184.08528	3.3
193.12265	33.8
195.13834	5.6
211.13301	42.4
227.12825	9.7
229.14330	8.5
257.18967	7.4
267.15930	31.0
269.17554	15.7
273.18732	3.7
275.20016	25.0
283.15469	18.1
283.18442	3.6
285.17023	39.7
322.25754	3.3
349.23624	18.7
351.23117	5.6
413.21698	6.6
437.25269	10.5
439.26932	11.5
443.28125	6.8
461.29034	48.4
463.25531	3.9
477.28525	6.2
479.30127	100.0
480.30414	6.2
541.35278	15.0
559.36487	30.0
591.38446	13.3
605.33264	5.1
623.34290	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	28.2
57.07074	4.1
59.04993	4.3
60.34737	2.4
61.02925	3.4
64.42077	1.9
65.03954	4.3
67.05508	99.1
69.03437	11.8
69.03796	2.0
69.07072	30.5
69.24032	10.0
69.24464	11.2
71.05013	14.6
73.02936	3.5
79.05499	94.5
81.03423	100.0
81.07060	91.6
83.04990	17.9
83.08625	27.9
85.02895	9.4
85.06534	5.2
87.04448	6.0
91.05485	87.4
93.07050	80.1
93.07645	4.0
95.04974	43.2
95.08612	46.4
97.02885	6.7
97.06524	16.1
97.10181	16.7
99.08092	4.9
105.04465	2.9
105.06329	3.7
105.07036	71.6
107.04948	17.4
107.08595	49.5
109.06521	9.5
109.10154	31.9
111.04427	5.7
111.08090	11.8
115.05460	7.2
117.07017	29.1
119.07814	3.8
119.08591	55.4
121.06505	9.8
121.10153	29.3
123.08086	8.8
123.11745	8.2
125.09634	15.4
127.03906	5.0
128.06248	6.9
129.06996	24.4
131.08569	49.0
133.06494	9.4
133.10135	39.8
134.10419	2.4
135.08067	7.1
135.11697	15.0
137.09616	5.0
137.99821	2.1
141.06998	4.5
142.07808	5.7
143.08582	17.8
145.06508	4.7
145.10139	29.7
147.08070	8.1
147.11679	28.0
149.09627	18.6
149.13286	11.3
151.11168	4.1
155.08546	6.9
155.10738	3.8
157.10139	27.7
159.08224	3.3
159.11732	19.1
161.09662	5.1
161.13269	3.7
163.11197	9.3
164.16154	2.7
165.12720	3.4
169.10146	10.4
171.11679	14.8
173.09630	3.8
173.11847	4.5
173.13268	9.7
175.11241	11.3
175.14903	3.1
177.12769	6.0
179.14281	2.5
181.10094	4.9
183.11638	5.8
184.07350	4.3
185.09676	3.1
185.13252	8.9
187.11171	2.4
187.14798	3.4
189.11232	5.8
193.10306	3.6
193.12222	28.6
195.11852	4.1
195.13698	4.8
197.13298	4.8
199.14780	5.8
207.13829	2.2
209.13245	3.8
211.13298	8.1
213.16342	2.3
213.96021	2.8
217.15923	5.7
223.14915	4.0
225.14738	3.3
227.12767	16.1
229.14392	11.3
241.19553	5.5
249.14789	4.4
253.14326	4.8
254.14787	3.3
257.19016	5.9
259.20651	12.4
259.23056	2.3
267.15936	68.7
269.17493	16.9
273.18497	3.8
275.20123	14.8
283.20697	2.9
291.19522	4.8
293.21106	4.8
299.20096	3.3
299.23529	4.6
333.24194	8.6
343.22556	2.8
349.23904	9.6
351.22992	4.1
369.24231	2.8
387.25055	2.8
405.26395	2.9
419.24222	2.8
421.25772	7.5
433.30786	6.7
435.27179	4.4
443.27884	10.0
451.31821	5.5
461.28952	37.0
475.30688	2.4
493.31491	6.7
507.34470	4.3
525.35785	34.1
526.35559	2.6
541.35242	12.4
543.36859	61.0
544.36975	5.3
557.38452	5.9
559.35797	8.7
562.67920	2.9
575.39178	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	806.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	18.6
57.07063	2.7
59.05003	3.6
61.02921	4.2
65.03942	5.8
67.05506	100.0
68.05846	2.5
69.03432	6.9
69.07074	28.4
71.01365	2.2
71.04996	16.3
71.09545	3.4
73.02895	2.8
79.05494	71.9
79.36803	2.0
81.03423	77.7
81.07053	85.6
83.04979	28.3
83.08607	32.2
85.02906	25.3
85.06541	8.5
91.05483	76.6
93.07045	71.9
95.04960	27.1
95.08607	39.1
97.02888	9.2
97.06528	23.3
97.10172	11.1
99.04427	2.8
99.08102	4.1
105.04501	2.9
105.06313	3.3
105.07023	53.5
107.04951	15.6
107.08600	37.9
109.06525	17.9
109.10162	29.0
111.04466	3.5
111.08119	13.9
113.05978	3.3
115.05477	3.1
117.07024	17.7
119.08592	39.0
121.06489	5.0
121.10149	24.3
122.31403	2.0
123.08069	10.0
123.11703	3.9
125.09636	8.2
127.03881	3.8
127.07573	2.5
129.05501	4.2
129.06992	16.6
131.08571	30.3
133.06511	5.6
133.10126	25.8
135.08032	7.4
135.11713	9.6
137.09625	5.1
142.07832	2.2
143.08597	6.4
145.10120	15.1
147.08084	5.1
147.11678	19.0
149.06020	2.2
149.09615	16.6
149.13272	11.9
151.11163	3.4
155.08536	2.7
155.10684	2.1
157.10153	17.2
159.08051	2.5
159.11710	12.3
161.09705	2.8
163.11105	9.9
165.12791	5.3
169.10117	3.6
171.11702	3.7
173.11787	5.8
173.13220	3.5
175.11218	13.9
177.12775	5.2
183.11676	3.5
184.07350	4.9
186.51106	2.0
193.12238	37.9
195.13739	2.6
197.13309	2.9
211.13281	39.3
227.12851	6.5
229.14284	16.2
239.17975	3.0
249.14604	2.2
257.19040	5.4
267.15933	23.8
269.17465	13.1
273.18686	3.4
275.20081	19.5
283.15399	9.0
285.16971	38.1
291.19592	3.3
301.16699	2.6
331.22656	3.5
347.22101	3.2
349.23712	15.9
413.21539	7.5
421.25946	5.6
435.27509	2.3
437.25208	4.3
439.26862	30.1
443.27924	3.0
453.09576	2.2
461.29037	30.3
479.30054	74.2
480.30307	2.8
541.34979	13.5
559.36389	20.2
591.38672	7.3
623.34106	20.5
716.73999	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	806.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	22.7
59.04992	5.0
61.02931	3.2
65.03918	3.4
67.05505	100.0
69.03436	10.4
69.07066	19.1
71.04985	10.5
73.02917	3.3
75.03059	2.1
79.05087	3.3
79.05497	54.2
81.03421	77.8
81.06596	3.4
81.07057	54.2
83.04978	25.4
83.08625	38.0
85.02438	3.3
85.02911	39.2
85.06548	5.0
87.04466	6.3
91.05479	54.8
93.07043	31.3
95.04978	29.8
95.08614	20.9
97.02888	12.6
97.06548	10.5
97.10167	20.8
97.69125	2.0
98.20734	5.2
105.07034	27.2
107.04963	14.2
107.08598	22.3
109.06506	8.4
109.10155	66.5
111.04451	5.0
111.08084	12.3
113.05963	2.2
117.07011	4.2
119.08581	26.6
121.06509	5.3
121.10145	11.4
123.08049	4.7
125.09633	13.0
129.05508	5.5
129.06998	14.3
131.08585	17.0
133.06468	4.5
133.10118	18.4
135.08076	3.9
135.11690	6.6
137.09604	4.9
142.07848	2.6
145.10103	9.8
147.08044	4.8
147.11682	18.9
149.09579	8.4
153.12721	3.8
155.08565	2.6
155.10638	4.9
157.10159	15.0
163.11201	12.1
165.12753	4.5
173.11748	16.3
175.11168	14.3
184.07372	4.8
193.12244	58.6
199.13196	5.3
209.11734	5.5
211.13286	75.3
227.12799	7.2
229.14359	43.5
267.15976	28.1
283.15402	4.0
285.16995	48.4
301.16489	11.2
364.45425	2.3
399.23764	18.8
409.26099	2.4
421.25949	13.7
439.26901	39.5
475.26413	3.0
491.27414	2.9
493.27435	4.4
511.28915	9.5
591.35962	3.0
609.36346	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	806.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03206	1.7
57.03447	23.9
57.07063	6.1
59.04998	1.9
61.02941	8.0
65.03927	5.1
67.05510	100.0
69.03427	13.4
69.07072	55.8
69.73978	8.1
71.01342	2.9
71.04987	6.3
73.02901	6.1
79.05499	69.8
80.06257	1.9
81.03429	28.2
81.07062	74.6
82.04188	4.3
83.04991	18.9
83.08164	1.6
83.08621	20.9
84.05747	1.8
85.02907	11.5
85.06533	5.2
85.38683	1.5
86.09706	3.6
87.04434	1.6
91.03941	3.5
91.05486	70.3
93.07052	56.7
94.07848	1.9
95.04978	30.1
95.08611	43.2
97.02907	11.3
97.06533	21.8
97.10172	18.4
98.07293	4.2
99.04431	2.0
99.08080	3.4
103.05457	3.0
105.04507	1.6
105.07036	45.7
107.04952	16.1
107.08601	29.6
109.02858	3.0
109.06538	9.7
109.09481	2.8
109.10165	38.7
111.04455	3.0
111.08105	8.4
113.77193	1.5
115.05442	3.9
116.04724	9.4
116.06263	2.4
117.06355	1.8
117.07029	19.5
119.08580	36.4
119.83797	1.6
121.06526	7.6
121.10153	16.0
121.52127	1.6
123.08100	8.5
123.11723	3.2
125.00011	3.4
125.09624	16.5
127.03932	2.7
128.06241	2.6
128.78537	1.4
129.05490	25.2
129.06987	11.7
130.07776	1.7
131.08580	24.5
133.06454	3.3
133.10139	27.0
135.08064	7.1
135.11696	10.6
137.09628	15.8
142.07816	1.7
143.07027	5.1
143.08531	5.2
143.10738	1.9
145.06459	3.2
145.10115	18.2
147.08041	4.8
147.11694	18.0
149.09634	22.6
149.13243	3.7
151.11205	2.5
153.09100	1.9
155.08583	3.4
155.10695	3.0
157.08588	11.1
157.10112	8.2
159.11708	7.7
161.09615	3.9
161.13237	5.4
163.11197	13.4
165.12750	2.7
169.10161	2.3
171.10179	4.7
171.11664	4.8
173.09537	1.9
173.11732	10.2
173.13312	5.5
175.11235	8.8
177.12782	3.6
179.14243	4.5
183.11716	1.7
184.07341	11.9
185.13216	2.7
187.11183	2.2
189.11186	6.6
193.12256	11.7
197.13239	1.8
199.13274	9.7
200.14120	1.8
209.11719	4.8
211.13324	10.5
223.13220	3.0
227.12752	12.5
229.14301	13.1
239.18074	2.6
247.20561	3.5
253.14401	3.3
253.17868	1.6
255.15883	4.1
257.19022	5.2
263.90491	1.5
267.15921	9.0
273.18442	6.2
275.20108	27.5
283.15268	5.7
285.16891	5.7
291.19452	7.8
299.14941	2.2
301.16455	35.0
349.23819	26.6
365.23175	3.9
367.24677	2.3
383.24313	2.6
385.24417	1.5
397.22058	3.4
439.27335	2.3
455.26297	4.6
479.30090	5.6
541.35187	2.6
557.34937	2.0
575.35840	18.2
593.37109	2.0
648.72351	1.8
709.10852	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	33.5
57.07080	4.9
59.05006	4.5
61.02936	5.8
65.03938	6.1
67.05513	100.0
69.03432	22.8
69.06735	4.4
69.07078	64.7
71.01363	5.1
71.05011	27.7
73.02918	8.6
78.64837	2.3
79.05506	88.2
81.03428	65.0
81.06596	5.0
81.07068	99.0
83.01333	4.4
83.04997	32.5
83.08630	30.9
84.02150	3.1
85.02912	24.0
85.06537	11.0
86.09692	6.0
87.04487	3.9
91.03931	3.8
91.05495	79.6
93.07056	86.6
95.04975	46.0
95.08624	46.6
97.02898	16.5
97.05927	4.9
97.06541	77.4
97.10161	16.1
98.07333	4.1
99.04475	6.1
99.08079	4.1
103.05463	4.4
104.04796	2.5
105.04517	3.9
105.07047	64.5
107.04964	25.5
107.08619	38.3
109.02941	5.3
109.06548	25.3
109.10165	35.3
111.04462	7.1
111.08081	15.7
113.05970	3.4
115.05479	3.6
115.07563	25.9
116.04672	6.0
117.07034	28.3
119.08585	41.3
121.06542	15.1
121.10146	24.6
123.04475	3.7
123.08064	16.0
123.11681	4.2
125.09624	13.8
127.03899	5.9
128.06206	4.2
129.05528	17.6
129.07030	19.4
131.08566	32.8
133.06596	5.2
133.10143	40.2
134.61809	2.6
135.08051	10.3
135.11693	17.8
136.60048	2.8
137.09654	15.0
139.07568	4.1
141.07022	4.0
142.07843	3.9
143.08621	7.0
145.10132	27.2
147.08055	6.5
147.11719	19.0
149.09636	20.4
149.13298	12.6
151.11209	6.0
153.09143	7.0
153.12718	3.9
155.08591	6.3
157.08736	5.3
157.10127	12.9
159.08054	5.1
159.11690	11.8
161.09552	7.9
161.13248	5.3
163.11200	23.3
165.12738	6.0
169.10118	6.3
171.10263	4.1
171.11694	7.3
173.04486	6.8
173.05934	2.8
173.09653	4.2
173.11772	6.7
173.13298	7.4
175.11180	13.2
177.12732	3.5
181.12244	4.1
184.07381	8.9
186.85170	2.8
189.11218	8.2
189.12752	3.4
191.10687	4.2
193.12282	28.1
195.13849	5.5
197.13368	3.5
199.13275	5.3
209.11722	8.2
211.13295	24.1
217.15994	3.8
227.12836	16.2
229.14386	11.5
252.30069	2.9
253.14407	4.9
261.18533	4.1
267.15961	20.8
268.16696	4.0
269.17532	20.0
273.18539	18.8
275.20010	15.6
283.15430	29.2
284.15945	3.2
285.17038	25.9
289.17914	3.2
291.19519	9.5
293.21198	3.8
301.16553	28.0
347.22040	3.5
349.23737	16.2
351.55341	3.1
363.61633	3.4
365.23145	6.2
367.25128	3.0
437.25415	24.1
439.26907	11.8
461.28772	8.4
477.28329	11.7
479.29880	8.8
495.29242	8.1
541.34955	4.3
557.35089	19.6
559.35510	3.4
573.34186	5.1
575.35785	4.8
591.34399	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	806.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	25.9
57.07067	4.3
59.04988	3.5
60.08154	1.4
61.02919	6.7
65.03931	5.5
65.06685	1.3
67.05505	100.0
68.05817	2.7
69.03433	13.2
69.07068	53.7
70.04231	1.7
70.08450	3.9
71.01321	1.8
71.04988	8.6
73.02901	5.5
79.05493	72.7
80.06261	1.6
80.67351	1.3
81.03416	34.0
81.07057	73.6
82.04208	3.2
83.04978	20.2
83.08617	21.0
84.05758	1.7
85.02906	16.7
85.06516	5.8
86.09700	5.7
91.03968	2.6
91.05481	73.0
92.05787	1.7
93.07042	60.2
95.04970	31.6
95.08610	44.1
97.02899	9.0
97.06533	25.8
97.10169	20.2
98.07295	5.6
99.04446	2.5
99.08060	2.9
103.05479	2.0
105.04510	2.8
105.07033	48.4
107.04949	18.7
107.08593	34.7
109.02868	3.0
109.06504	9.0
109.10162	44.2
111.04443	4.4
111.08079	9.6
113.06002	1.7
115.05455	4.0
116.04721	7.9
117.07021	19.3
119.08583	35.0
121.06492	8.2
121.10143	19.0
123.08064	9.6
123.11693	2.7
124.99975	2.2
125.09637	19.3
127.03889	3.6
127.11210	1.8
128.06198	2.3
129.05486	20.1
129.06969	10.7
131.08565	20.3
133.06473	2.8
133.10133	28.4
135.08037	6.9
135.11685	11.5
137.09616	13.5
141.06978	3.4
142.07780	2.6
143.07014	2.8
143.08562	6.5
145.06389	1.5
145.10112	17.6
146.10800	1.5
147.08005	3.3
147.11681	14.1
149.09615	19.6
149.13245	3.3
151.11185	4.1
153.09041	3.4
155.08574	5.0
155.10669	2.4
157.08595	9.9
157.09914	10.2
159.11693	12.1
161.09645	3.7
161.13193	5.3
163.11189	13.1
165.09116	2.9
165.12721	3.0
169.10156	2.8
171.10168	5.4
171.11673	4.9
173.11714	10.6
173.13274	5.4
175.11198	8.4
177.12738	3.4
179.14291	3.8
183.11688	2.5
184.07350	19.2
185.13188	2.2
187.11211	1.6
189.11226	5.9
189.12753	2.4
191.10658	1.4
193.12227	13.6
193.55458	1.5
195.13812	1.7
199.13300	9.3
201.12724	1.6
209.11691	4.7
211.13287	9.2
223.13217	2.1
227.12782	12.1
229.14325	16.4
229.19420	2.4
239.17912	2.0
247.20506	2.6
253.14328	4.2
255.15904	3.1
257.19031	5.3
267.15933	11.1
269.17377	1.9
273.18546	4.1
275.20078	25.7
276.20395	2.1
283.15323	5.1
285.16898	5.6
291.19501	11.2
293.20990	3.4
299.15030	1.5
301.16455	33.7
349.23718	31.1
365.23276	4.3
367.24448	2.3
383.24481	1.7
397.22089	3.7
421.25940	2.4
439.26865	5.3
455.26483	4.7
470.61707	1.6
479.29874	6.9
519.33032	1.6
541.34656	1.9
541.47278	1.5
557.34369	1.9
559.35510	3.0
575.35663	20.9
593.37152	3.4
609.36334	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	805.51
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	14.0
59.66723	1.7
60.08166	6.3
60.64360	1.7
60.66404	1.7
65.03945	4.0
67.05511	55.7
67.55177	1.7
69.03427	3.9
69.07061	7.5
69.54434	12.5
71.04985	2.4
71.07366	4.2
79.05502	36.9
81.03419	4.5
81.07056	33.0
83.05001	3.0
83.08624	5.0
85.06544	6.3
86.09714	32.8
87.10034	5.0
89.06046	2.5
91.05487	26.8
93.07047	29.9
95.04978	43.7
95.08617	26.4
97.06561	4.1
97.10168	2.7
98.20744	2.8
98.98466	4.0
104.10754	3.3
105.07036	23.1
107.04961	7.2
107.08590	15.9
109.06534	39.8
109.10155	7.1
111.08080	2.8
113.06007	20.3
114.63699	1.7
117.07045	9.8
118.04210	2.0
119.08600	14.2
121.06503	4.9
121.10157	9.4
123.08118	5.3
123.63296	2.0
125.00011	26.4
126.00367	3.1
128.06198	2.1
129.07024	5.6
131.08597	13.1
133.06430	2.5
133.10158	9.7
133.60892	2.0
135.08067	30.9
135.11674	10.9
137.06020	1.9
141.06912	2.2
142.07806	2.1
143.08559	7.0
145.10109	7.8
147.11699	4.3
149.09622	4.3
149.13274	2.4
157.10129	4.3
159.11710	6.6
161.09654	7.4
163.11182	3.7
171.11691	3.1
173.13290	2.9
175.14854	2.2
177.12784	5.0
184.07352	100.0
185.07736	9.2
185.13315	2.0
189.11250	2.0
199.14867	3.0
217.15923	8.6
221.11835	1.9
255.17293	3.5
273.18503	23.7
289.17896	2.7
291.19577	65.1
309.20544	2.1
320.69943	1.9
335.25806	31.3
347.22284	4.5
356.96143	2.0
365.23276	12.0
579.38037	6.2
607.43634	8.0
614.49530	2.4
625.44739	44.0
626.44745	2.8
805.53473	3.5
814.05969	2.2
815.29755	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	805.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.8
65.03932	4.8
67.05493	1.9
69.03424	4.2
71.49117	1.0
77.73161	0.6
78.04717	4.2
79.05480	2.5
81.03413	1.4
82.04192	1.1
85.02907	8.1
91.05479	4.3
93.03411	1.2
93.07036	1.0
95.04954	2.7
96.40581	0.6
97.02869	2.5
97.06531	2.3
103.05452	4.3
104.10725	1.3
105.07027	1.0
106.04156	2.7
107.04967	5.4
109.02833	1.1
110.03653	2.7
111.04450	1.4
115.05447	8.2
117.03370	0.8
117.07016	10.6
118.04128	0.8
121.06489	2.9
122.03670	1.1
123.04433	10.9
124.05200	2.1
125.05946	1.7
127.05436	1.8
131.04913	3.3
133.06482	0.7
134.03633	0.9
135.04456	1.9
137.06010	3.9
140.04669	1.0
142.02615	2.6
143.04897	1.3
145.06493	15.1
147.04401	0.9
147.08017	2.1
148.05154	0.9
149.06044	3.3
151.03885	1.5
151.07498	0.8
152.04688	2.2
153.05461	2.0
155.06033	7.5
159.04414	1.5
160.05180	1.2
161.06013	1.4
163.03835	1.4
165.05429	2.4
167.07039	100.0
168.07347	1.7
168.93745	0.7
171.06526	2.5
173.05989	22.1
174.06546	0.7
175.07590	3.5
177.05466	3.3
179.07004	0.8
181.04953	75.4
182.05289	1.5
183.06531	0.8
184.07358	1.6
188.88632	0.7
191.07016	3.8
193.08681	1.1
195.06480	1.7
201.05466	3.2
203.07037	6.0
205.08621	7.2
206.09050	0.7
207.06552	0.9
209.08086	4.5
213.05464	1.1
219.06485	2.7
219.08305	0.8
221.08188	1.0
231.06480	1.5
233.08078	9.5
234.08847	3.3
235.09653	6.0
249.05461	1.0
250.06087	1.0
251.07117	1.2
263.07028	0.9
265.08569	1.9
267.06564	0.8
283.09512	0.9
293.08173	1.5
294.08835	0.9
295.10077	0.8
297.11209	1.3
310.08252	1.6
311.09213	1.0
325.10785	2.5
326.11545	1.5
327.12155	1.0
329.13718	1.1
342.11096	0.8
345.13181	0.9
353.10074	1.1
357.13348	9.4
374.97888	1.4
385.12827	37.7
386.13101	2.3
387.14389	3.8
397.12738	4.7
403.13809	3.9
415.13831	7.6
416.14441	4.6
417.15460	10.9
577.19727	1.6
643.23822	45.2
644.23853	2.7
659.01068	2.8
805.29083	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00432	0.4
69.03415	0.7
85.02898	1.2
87.85784	0.4
97.02872	1.1
99.55193	0.4
119.01961	0.6
120.95417	1.3
122.01370	0.6
122.51463	0.7
123.01276	0.6
127.03951	0.8
128.01479	0.6
128.11462	0.4
131.01884	1.4
132.01802	1.5
132.51866	0.9
137.01878	0.6
137.52080	0.5
138.01855	1.0
138.96460	1.4
143.01903	2.2
144.01836	0.8
145.03474	0.6
150.01849	0.6
153.02496	0.8
155.01909	1.3
156.97487	5.7
161.02940	0.9
165.00113	0.4
173.02980	2.2
173.52887	0.9
174.02847	0.9
174.52895	0.5
174.98515	3.0
180.97469	17.6
182.99091	0.8
185.02985	1.9
194.99089	0.8
197.02908	0.8
198.98538	100.0
199.98677	3.1
203.03975	1.2
203.54185	0.4
204.04018	1.0
204.54185	0.6
210.98532	4.1
213.00125	1.3
215.04057	0.6
216.97580	0.9
216.99593	18.3
222.98541	1.1
224.54768	0.5
225.00137	1.4
228.99606	8.2
232.04852	0.5
234.98575	2.9
240.99579	19.2
241.99706	1.0
243.01044	0.6
245.05069	4.5
247.00609	1.2
252.99591	2.3
255.05728	0.7
259.00668	5.9
263.06116	0.4
271.00687	1.0
275.06027	0.4
283.00650	9.5
284.06488	0.6
284.56760	0.7
285.06583	1.5
285.56763	0.9
294.93271	0.5
301.01694	26.8
302.01868	0.8
303.99185	0.5
319.02725	4.9
365.59232	1.3
366.09219	2.1
366.59256	1.4
367.09283	0.7
373.03873	0.9
382.04727	0.7
463.06992	47.2
464.07098	2.8
481.07925	1.1
609.04211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.4
69.03410	0.7
69.30862	0.7
69.31284	2.0
72.40646	0.3
85.02895	0.9
87.00007	0.4
97.02901	1.5
107.19385	0.4
109.02866	0.3
113.00928	0.4
119.01892	0.9
120.95315	1.5
122.01408	0.3
122.51431	0.3
123.01247	0.9
127.03880	0.7
129.51292	0.4
131.01880	1.1
131.51938	0.6
132.01794	1.0
134.01375	0.4
138.96439	1.1
143.01874	2.3
143.51945	0.9
143.75493	0.3
144.01772	1.4
144.51904	0.5
145.03500	0.5
145.04984	0.4
152.02338	0.3
154.79962	0.3
155.01854	1.4
156.97487	4.9
161.02940	1.2
162.96242	0.3
173.02945	2.2
173.53137	0.8
174.02914	1.6
174.52936	0.3
174.98537	3.4
179.01787	0.4
179.53000	0.4
180.97452	16.3
182.99004	0.5
185.02950	2.0
185.71666	0.3
194.98972	0.7
197.03024	0.5
198.98535	100.0
199.98659	2.4
203.03963	1.4
203.54086	0.6
204.03966	1.5
204.53952	0.7
206.54297	0.4
210.98569	3.7
213.00122	1.1
215.03972	1.0
216.99586	21.7
217.99730	0.4
222.00102	1.6
222.98471	1.9
225.00063	1.2
225.04446	0.6
225.54506	0.6
227.04103	0.5
228.99583	8.4
229.01775	0.5
234.98494	3.7
240.01068	0.6
240.99588	18.0
241.99846	0.4
243.01286	0.7
245.05072	4.3
247.00644	1.2
252.99524	1.8
257.05069	0.5
259.00656	5.9
264.99664	0.9
271.00711	0.9
275.06351	0.4
277.01859	0.8
283.00656	10.2
284.01154	0.4
284.56802	0.6
285.06570	1.2
285.56619	0.7
286.06564	0.4
301.01691	26.5
302.01901	1.2
305.06934	0.4
319.02728	5.1
333.05161	0.4
342.04562	0.5
343.02722	0.6
355.02963	0.4
365.09271	0.9
365.59470	0.5
366.09387	1.7
366.59344	1.8
367.09631	0.6
373.03879	0.9
382.04382	0.8
382.54398	0.4
463.06973	53.3
463.56662	0.5
464.07169	2.8
481.08066	0.9
692.12213	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	804.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.8
58.11971	2.1
59.04995	3.8
61.02910	3.1
65.03963	3.6
67.05509	50.6
67.48561	1.7
69.03410	5.4
69.06789	1.8
69.07079	20.5
71.01369	2.6
71.05001	13.2
72.42355	2.0
73.02934	2.3
79.05495	50.5
81.03428	21.4
81.07063	57.1
83.01348	8.3
83.04996	18.5
83.08620	16.6
85.02901	5.9
85.06550	4.5
85.58882	2.0
87.04482	2.1
90.61100	2.2
91.05488	38.2
93.06487	3.7
93.07050	53.7
95.04960	12.9
95.08604	21.1
97.02889	7.1
97.06531	16.5
97.10177	6.9
99.04450	2.6
99.08084	2.3
103.05517	2.2
105.04455	2.4
105.07034	23.4
107.04959	14.7
107.08601	31.7
109.02881	1.9
109.06512	12.0
109.10164	15.4
111.04403	2.5
111.08103	6.4
115.05408	2.1
117.07034	20.5
119.08575	19.6
121.06531	5.6
121.10156	13.5
123.08099	11.8
123.11714	3.0
125.09654	6.8
127.03968	3.3
129.07063	4.6
131.08577	17.8
133.10132	15.1
135.08058	7.9
135.11720	15.5
137.09636	3.3
141.06912	1.9
143.08557	3.4
144.84242	2.0
145.06520	2.8
145.10132	18.5
147.08025	3.3
147.11699	6.9
149.05943	2.1
149.09637	7.1
149.13286	7.3
153.12732	4.1
155.08543	4.5
157.10165	3.2
159.11700	7.3
161.13243	3.0
163.11189	25.8
169.10147	2.0
171.11722	2.8
173.09657	4.3
177.12793	2.1
181.12230	3.0
184.07312	3.8
189.11195	2.5
191.10643	3.5
193.12389	2.0
195.13841	4.3
209.11737	6.3
223.13240	2.4
223.91537	2.1
227.12811	13.4
229.14418	7.0
249.04552	1.9
257.19092	2.3
267.15939	3.9
269.17645	3.2
275.20148	17.5
283.15405	45.5
339.18011	3.4
349.23776	7.9
385.24435	2.2
412.64343	2.0
413.21658	6.1
437.25458	14.3
459.27484	5.4
477.28506	100.0
478.29044	5.2
539.33673	3.6
557.34723	26.4
575.35498	3.3
589.37769	9.9
603.31079	2.8
621.32782	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	804.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.4
65.03955	1.7
67.05509	32.5
69.03439	10.7
69.06728	2.1
69.07078	22.5
69.55873	1.4
70.08428	5.1
71.05006	2.3
76.45321	1.3
77.03936	1.5
79.05501	35.3
81.03423	75.1
81.07063	30.5
83.04993	6.6
83.08624	18.5
85.06539	2.1
91.05486	37.7
93.07054	25.9
95.04977	27.9
95.08622	17.4
97.02897	10.2
97.06527	6.8
97.10164	10.5
105.07027	23.6
107.04952	10.3
107.08588	16.7
109.06538	5.0
109.10176	13.3
111.04472	2.8
111.08088	5.8
117.07027	9.5
119.04968	1.8
119.08590	22.7
121.06512	5.9
121.10151	9.5
123.08070	5.3
123.11729	2.3
125.09639	11.5
129.07025	10.9
131.08559	14.2
133.06499	6.4
133.10127	13.8
135.08052	5.0
135.11682	4.6
137.09612	4.4
142.07764	2.6
143.08539	2.1
145.06506	2.5
145.10118	10.8
147.08070	7.9
147.11710	9.3
149.09637	4.9
151.11211	4.0
157.10123	10.2
159.08006	1.5
159.11742	4.0
161.09624	4.8
163.11195	5.3
165.09151	1.5
165.12787	1.4
169.10147	1.6
171.11707	3.2
173.09634	1.6
175.11209	9.4
179.10561	1.7
183.11606	1.8
184.07410	1.8
189.11249	5.5
193.12282	12.6
205.12163	1.6
211.13281	3.1
219.13763	3.0
223.13307	14.0
227.12816	11.0
229.14467	2.5
245.19006	1.8
249.14960	4.4
253.14325	8.0
254.87537	1.6
267.15936	80.1
273.18475	11.7
275.20096	2.1
283.15411	4.0
291.19562	72.6
365.23267	48.4
437.25400	2.3
445.25858	6.3
459.27475	4.0
463.26633	2.7
477.28613	3.3
483.30515	1.9
509.31107	1.6
539.34070	7.0
557.34790	100.0
558.35046	4.9
575.35590	1.9
599.35455	1.7
805.39514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	15.6
59.04991	4.3
61.02923	2.2
65.03934	4.1
67.05508	62.6
69.03407	3.9
69.07073	17.6
70.05827	6.2
70.06242	3.4
70.06597	1.5
71.01350	2.0
71.05006	14.1
71.09026	1.7
73.02928	1.9
73.06573	1.5
78.53989	1.5
79.05495	52.1
81.03426	23.4
81.06596	3.2
81.07062	58.2
83.01334	8.4
83.04985	18.2
83.08623	22.6
85.02899	8.4
85.06548	4.5
86.09679	2.1
91.05488	42.0
93.07051	50.5
95.04958	16.1
95.08620	23.4
97.02904	6.2
97.06539	17.9
97.09628	1.7
97.10160	8.6
99.04449	3.2
103.05453	3.2
105.04520	2.0
105.07035	27.9
107.04958	12.5
107.08595	33.8
109.06511	14.7
109.10161	25.3
111.04428	4.7
111.08073	6.3
117.07011	17.7
119.08582	24.2
121.06504	5.9
121.10128	16.8
123.08083	10.0
123.11716	4.4
125.05981	2.0
125.09628	7.5
129.07022	6.7
130.07828	1.9
131.08563	13.4
133.10138	13.0
135.08055	7.0
135.11713	17.9
135.77528	1.7
137.09589	3.1
143.08548	6.2
145.06468	2.3
145.10135	26.0
147.08028	4.3
147.11670	6.8
149.09618	6.7
149.13315	8.9
153.12695	2.3
155.08479	2.1
157.10135	2.8
159.11708	8.0
161.09633	3.8
161.13249	3.2
163.11177	25.4
165.09062	1.8
169.10017	1.8
171.08018	2.1
171.11694	3.2
173.09593	3.9
173.11804	3.7
173.13283	2.0
177.12772	3.6
178.61002	1.5
181.12274	3.2
183.11630	1.6
184.07343	3.6
189.11191	3.3
191.10722	3.4
193.12215	2.1
195.13835	2.5
197.13310	3.2
209.11748	8.1
223.13350	2.5
227.12776	15.1
229.14331	16.2
239.18037	2.8
247.20503	2.1
257.19031	4.6
267.15863	2.8
269.17474	3.6
273.18430	2.4
275.19989	14.6
283.15411	65.3
283.18561	3.7
293.21149	2.2
339.18048	2.5
349.23758	12.5
413.21631	5.7
437.25269	30.3
459.27304	4.7
477.28497	100.0
478.28815	4.0
539.32916	2.5
557.34668	28.5
575.35718	2.8
589.37671	11.3
603.31500	1.9
621.32672	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	804.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	13.2
59.05008	1.5
65.03941	3.8
67.05509	73.2
69.03424	7.0
69.07074	17.4
69.76820	3.1
69.77236	6.9
71.01325	2.4
71.04988	7.3
74.34747	1.2
78.79942	1.4
79.05025	1.3
79.05498	51.5
81.03422	80.2
81.07062	69.9
83.04985	17.0
83.08627	20.2
85.02898	3.0
85.06532	5.7
86.32217	1.4
91.05486	69.0
92.05812	2.2
93.06494	2.5
93.07048	44.2
95.01305	1.6
95.04972	29.2
95.08611	26.1
97.02876	4.7
97.06529	7.9
97.10159	6.3
99.04446	2.2
99.08094	1.8
103.05482	2.3
105.07034	56.2
107.04952	14.9
107.08599	41.9
109.06509	12.3
109.10162	55.7
110.15694	1.4
111.04401	3.1
111.08073	8.7
113.05969	3.8
117.07040	11.7
119.08589	25.3
121.06533	10.2
121.10147	11.4
123.04453	3.5
123.08049	5.9
123.11716	7.6
125.09615	4.6
127.07613	2.2
128.06221	2.9
129.07008	12.1
131.08574	20.2
133.06522	8.3
133.10139	70.4
135.08052	7.8
135.11673	9.7
137.09647	6.8
139.03879	1.4
139.07552	2.6
141.07053	1.4
141.81097	1.3
142.07790	3.1
143.08556	7.1
145.06479	1.7
145.10114	11.1
147.08084	7.2
147.11719	11.7
149.09630	7.1
151.11195	29.7
153.09186	1.4
153.12773	2.6
155.08568	2.6
157.10153	12.7
159.08086	3.0
159.11674	3.3
161.09631	9.3
161.13261	1.7
163.11176	9.3
169.10216	2.1
169.12164	3.1
171.11717	4.0
173.09583	3.3
173.11691	1.8
173.13203	1.3
175.11168	6.8
177.09204	1.5
177.12772	1.6
179.10686	2.0
183.11749	1.9
184.07423	3.5
185.13255	2.6
187.11166	1.9
189.12698	2.2
193.12260	21.8
199.13257	1.6
209.11655	1.9
211.13124	2.9
215.12805	3.4
217.12312	1.9
223.13182	2.4
227.12772	5.6
229.14423	8.5
241.14285	1.6
245.19142	3.0
249.14809	1.7
251.12891	2.0
253.14354	100.0
255.17470	1.6
263.20038	3.6
267.15933	64.8
271.15314	1.6
273.18530	17.0
275.20337	2.2
283.15466	11.1
287.20059	8.7
291.19504	21.2
309.20389	1.8
343.22794	2.3
347.22086	6.0
349.23639	2.0
365.23291	32.3
366.23816	2.4
371.21875	1.8
389.23242	1.7
399.23779	1.7
406.97266	1.4
421.25983	2.1
437.25238	4.2
445.25848	23.4
447.28568	2.5
459.27292	2.2
461.25113	1.7
463.26898	23.0
465.29950	4.4
483.31140	3.4
539.33624	15.0
557.34784	82.1
558.35010	3.9
575.35712	4.5
607.35565	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	804.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	20.2
57.07075	2.4
59.05006	5.0
60.95374	0.9
61.02935	6.5
65.03944	2.8
67.05508	71.0
69.03432	5.2
69.07072	12.7
69.35736	2.3
69.36150	5.8
71.01353	2.9
71.05001	6.9
71.08628	1.0
73.02921	2.9
79.05496	33.4
81.03419	19.3
81.07057	38.1
83.01342	10.0
83.04982	18.6
83.08622	19.8
85.02909	15.4
85.06541	3.3
86.36165	0.9
87.04459	2.4
91.03968	1.1
91.04913	1.4
91.05480	25.6
93.06493	2.0
93.07051	32.1
95.04963	10.3
95.08613	16.2
97.02901	7.2
97.06549	7.1
97.10172	12.5
99.04443	2.8
99.08076	2.3
103.03948	1.4
103.05479	1.6
104.79819	1.0
105.04517	1.5
105.07030	15.5
107.04959	11.1
107.08601	19.5
109.02901	2.1
109.06535	10.1
109.10159	43.1
111.04427	4.9
111.08092	5.1
111.11730	1.4
113.06007	1.6
115.05451	1.4
116.54276	0.9
117.07014	9.8
119.08587	13.7
121.06517	3.7
121.10146	10.3
123.04391	1.1
123.08087	7.4
123.11745	1.0
125.05959	2.1
125.09635	14.4
127.03901	0.9
129.05505	2.4
129.07007	4.2
131.08560	6.7
133.10126	4.9
135.08069	3.7
135.11690	14.2
137.09624	4.0
143.08580	2.2
143.10695	1.7
145.06474	2.3
145.10130	18.0
147.08083	4.1
147.11714	2.3
147.49617	1.0
149.09653	2.7
153.12770	6.2
155.08621	1.3
155.10667	4.9
157.10071	2.3
159.11748	1.2
161.09595	1.1
163.11179	32.5
173.09540	4.9
173.11771	12.9
173.13234	1.7
175.11229	1.8
181.12244	6.8
189.11246	1.9
191.10612	6.5
193.12288	2.3
199.13269	7.0
209.11758	17.9
211.13358	1.2
227.12796	12.6
229.14359	49.3
230.14740	1.1
241.14426	1.3
265.14398	1.9
267.15906	3.1
275.20193	3.2
283.15408	100.0
284.15662	3.0
301.16467	14.8
349.23535	1.7
391.63940	1.1
399.23813	10.7
407.24670	1.1
425.25266	6.0
437.25369	38.4
438.25729	1.5
491.26495	2.5
493.28098	1.1
503.33618	1.3
509.27432	7.6
527.28412	2.0
607.34723	25.6
608.35193	2.6
624.44366	1.1
776.35699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	21.4
60.53895	3.0
61.02914	9.9
65.03944	7.3
67.05505	98.2
69.03411	11.9
69.07064	25.4
69.62527	8.0
69.62938	11.4
71.04980	9.1
78.75211	3.2
79.05491	69.7
81.03410	19.2
81.07055	82.7
83.04988	10.4
83.08613	14.2
85.02887	9.6
85.06530	12.7
91.03970	3.8
91.05491	81.1
93.07042	78.7
95.01350	4.4
95.04967	62.2
95.08612	57.5
97.02882	8.2
97.06534	23.0
97.10139	5.2
98.20739	3.6
99.08087	5.5
103.05417	3.8
105.05871	3.2
105.06408	5.5
105.07035	80.0
107.04955	25.4
107.08595	44.3
109.06514	55.7
109.10157	19.6
111.08077	5.2
113.06004	33.3
117.07008	35.9
119.08574	41.1
119.87431	3.0
119.95525	3.5
121.06470	10.4
121.10163	25.2
123.08083	15.9
125.09612	7.4
127.03885	3.4
128.06207	4.4
129.05431	3.9
129.07019	19.1
130.07747	6.1
131.08559	48.6
133.06493	6.9
133.10132	36.0
135.08067	40.2
135.11697	19.3
141.06943	10.1
142.07698	3.5
143.08586	20.6
145.06482	8.7
145.10112	33.5
147.07994	9.8
147.11630	19.9
149.09630	11.4
149.13257	10.4
151.11200	3.6
155.08521	9.3
157.10143	17.0
159.08073	6.2
159.11682	24.0
161.09621	7.5
161.13261	10.5
161.43811	3.6
163.11215	8.2
169.10144	10.0
171.11649	15.9
173.09566	7.5
173.13239	15.7
175.11093	3.3
175.14755	6.2
177.12744	9.2
181.10138	9.0
183.11635	8.2
184.07335	8.3
185.13197	8.0
187.11147	8.6
195.11784	5.0
197.13264	6.2
199.14865	9.2
201.12697	3.9
209.13249	3.9
211.14771	4.1
213.16374	4.3
217.15895	10.2
227.12711	3.5
239.18015	4.6
241.19528	5.2
255.17375	4.8
257.19025	6.4
259.20596	16.1
273.18503	25.2
275.20029	14.2
277.21490	4.6
279.15948	25.4
291.19574	68.4
297.17065	4.3
306.42792	3.8
315.23184	4.8
327.26721	8.2
333.24146	27.0
347.22156	5.8
349.23737	9.3
365.23169	15.6
390.88550	3.8
416.11557	3.3
513.37134	5.6
531.38550	5.2
543.36945	8.0
595.43524	3.9
605.41858	21.7
623.33490	6.4
623.43036	100.0
624.42816	6.2
641.44202	35.8
682.82483	3.6
741.99445	4.1
798.00616	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	803.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.0
57.07061	6.5
61.02922	8.6
65.03941	5.8
67.05507	100.0
69.03432	18.5
69.06734	3.6
69.07072	38.6
71.04989	13.6
71.08652	3.3
71.45765	3.0
71.49764	5.4
73.02900	3.5
79.05496	86.6
81.03419	52.1
81.07062	82.8
83.04971	14.0
83.08630	32.5
85.02914	15.8
85.06538	7.5
86.09694	4.5
91.05482	82.4
93.06487	5.3
93.07047	76.7
93.07628	3.9
95.04973	25.2
95.08607	64.4
97.02918	20.1
97.06555	16.9
97.10162	29.6
99.04514	4.5
105.06400	6.2
105.07034	72.3
107.04945	14.4
107.08592	52.8
109.02868	6.1
109.06521	11.3
109.10162	28.2
111.04437	7.0
111.08037	8.4
115.05469	3.6
117.07028	32.4
119.08588	70.2
120.08910	4.3
121.06519	9.9
121.10140	27.9
122.10495	3.6
123.08076	10.3
123.11716	8.7
125.09633	24.5
127.03925	8.0
128.06218	5.6
129.07004	18.1
130.23459	3.0
131.08557	42.0
133.06520	5.5
133.10124	39.2
135.08070	8.8
135.11690	15.0
136.12048	3.1
141.06969	10.1
142.07761	3.3
143.08551	22.9
145.06464	6.0
145.10118	34.8
147.08038	8.4
147.11671	27.3
149.09605	9.6
149.13249	13.0
151.11224	4.1
153.06972	4.5
154.07721	3.8
154.26817	3.5
155.08521	16.6
156.09402	4.4
157.06502	3.3
157.10120	17.5
159.08028	5.2
159.11728	22.5
161.09627	5.9
161.13316	15.9
162.67459	3.1
163.11198	6.5
163.14894	3.7
165.07042	4.9
165.12772	3.3
167.08556	7.6
169.10114	12.1
171.11665	23.1
173.09650	9.5
173.11917	4.0
173.13232	18.4
175.11203	8.6
175.14838	7.6
177.12770	6.6
181.10213	5.2
183.11688	12.2
184.07365	15.0
185.09648	6.9
185.13214	14.7
187.14825	8.4
189.11200	13.2
189.12698	5.1
193.12247	13.7
195.11708	8.0
197.13306	5.2
199.14856	9.5
201.12715	4.0
201.16351	4.7
207.11761	5.1
209.13278	8.1
211.11165	4.1
211.13170	5.8
213.12816	5.4
213.16368	3.3
217.12349	4.2
219.13864	3.4
221.13255	7.0
223.13223	7.3
225.16513	4.6
227.12761	22.9
229.19556	3.8
239.17931	4.8
241.19620	4.1
243.17650	3.5
253.19498	3.7
255.17300	4.2
257.19119	8.2
259.20538	15.5
261.22177	4.4
267.15845	28.2
268.16266	10.1
273.18448	10.1
275.20142	21.1
280.29831	4.0
283.20740	4.1
289.18100	5.0
291.19547	36.1
301.21576	8.0
333.24203	14.7
335.25702	27.1
336.26114	16.0
349.23706	5.3
363.26694	4.7
365.23245	14.3
379.30118	5.2
468.54141	3.9
474.85083	4.3
513.36420	3.7
525.35748	7.6
527.37439	7.3
528.37598	11.6
543.36841	17.6
545.38611	4.0
546.38611	4.9
605.41785	13.4
623.43091	51.0
641.43781	24.2
749.46509	8.0
785.48621	5.2
803.49908	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	803.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	0.6
71.48515	0.5
79.08000	0.4
82.23553	0.4
85.02900	1.4
101.00855	0.9
107.04947	1.1
115.89414	0.5
119.01935	1.3
151.03922	0.7
155.01862	1.0
157.03398	0.6
161.02966	1.2
169.95200	0.5
181.01096	1.9
181.07037	0.8
185.04189	1.5
197.02986	0.6
199.08389	0.6
203.05363	0.9
207.04651	0.7
207.06528	3.0
209.02953	0.8
211.06085	0.5
225.06209	0.8
233.02504	0.8
233.04208	4.8
235.37321	0.5
241.01889	0.9
251.05350	18.9
255.08505	3.8
267.07108	1.4
293.05032	1.5
311.06107	3.4
353.07224	1.1
369.11533	2.5
413.10544	100.0
414.10806	2.6
429.08066	0.5
431.10226	2.1
473.11627	1.3
597.16718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.6
57.07079	48.3
60.08149	2.8
61.02911	1.9
61.72641	1.4
65.03937	3.1
67.05505	51.3
69.03426	7.7
69.07069	30.0
69.50899	7.4
69.51313	2.2
71.04984	4.3
71.08634	34.6
79.05495	34.9
81.03425	11.2
81.07058	69.3
83.04968	9.7
83.08617	19.8
85.02893	5.6
85.06545	2.0
85.10181	18.8
86.09697	7.9
89.06023	1.3
91.05483	31.3
93.06489	2.8
93.07048	41.8
95.04971	7.5
95.08608	41.9
97.02896	2.9
97.06531	10.5
97.10165	8.7
97.79208	1.3
98.98518	1.5
99.04470	1.5
99.08092	4.1
103.05463	1.5
105.04505	2.4
105.07040	25.2
107.04950	6.3
107.08598	22.0
109.02869	1.6
109.06530	5.5
109.10157	17.6
111.08112	4.2
111.11720	1.9
115.05475	2.4
117.07010	11.4
119.08588	20.5
121.06506	4.1
121.10143	11.3
123.08060	3.4
123.11696	7.3
124.99979	5.9
125.09639	1.9
127.03944	2.5
129.06996	2.6
131.08589	13.7
133.10130	16.3
135.08029	3.5
135.11691	14.7
137.09619	2.8
141.06984	2.2
142.07913	1.7
143.08597	3.1
145.10103	13.8
147.11696	7.3
149.09637	11.3
149.13248	9.0
151.11188	2.5
157.10164	2.5
159.11726	10.8
161.09628	1.7
161.13245	1.9
163.11243	8.0
167.15425	1.3
169.10081	2.5
173.13271	4.5
177.12738	3.3
179.14314	1.3
181.39493	1.3
183.11710	1.7
184.07332	21.7
189.11284	1.3
195.13840	5.0
197.13287	1.8
199.14722	2.2
227.12834	4.6
229.19456	1.7
233.15514	1.7
239.17953	2.4
239.23758	3.9
251.16566	1.9
255.15916	12.0
257.18921	8.8
257.24686	2.1
261.14688	1.6
267.15961	1.8
269.17484	35.4
275.17300	2.3
275.20071	26.3
291.19659	1.8
293.21024	3.2
293.80597	1.5
309.20660	1.8
313.27359	100.0
314.27731	2.7
331.22784	3.3
339.18021	2.5
349.23770	23.6
367.24814	4.0
413.21915	3.9
491.40552	1.9
493.38962	16.9
495.53442	1.5
507.40445	80.8
508.40549	5.1
547.43201	3.5
587.46674	26.2
588.46533	1.9
605.47754	6.4
802.55713	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.2
61.02925	4.0
65.03938	2.4
67.05183	2.0
67.05509	26.9
69.03426	22.3
69.07074	8.3
70.16112	6.7
71.01340	1.8
71.04980	7.3
73.02927	1.6
79.05077	2.0
79.05494	23.1
80.43098	2.0
81.03418	100.0
81.07056	34.2
83.04987	20.9
83.08624	16.1
85.02905	22.9
85.06541	1.9
86.09680	1.8
91.05482	32.8
93.07053	19.4
95.04961	23.7
95.08592	11.3
97.02897	19.2
97.06516	6.6
97.10159	5.0
97.91521	1.6
99.04459	6.8
99.08062	1.8
103.05458	2.2
105.07034	25.4
107.04951	10.0
107.08584	11.2
109.02888	16.5
109.06500	5.0
109.10129	4.1
111.04449	10.8
111.08067	10.2
115.05423	2.0
117.07043	4.0
119.08582	16.8
121.06504	4.0
121.10133	11.5
123.04429	3.9
123.08066	2.9
123.11691	4.0
125.09593	3.8
127.03909	19.8
129.05492	4.6
129.07004	12.0
131.04907	1.9
131.08557	9.9
133.06517	4.4
133.10132	9.4
135.08087	2.2
137.05943	2.2
137.09679	1.8
137.38284	1.6
139.03830	1.6
142.07860	3.1
145.04980	2.6
145.06522	3.0
145.10091	2.5
147.08005	3.2
147.11687	19.2
149.05975	2.4
149.09616	5.3
153.12730	2.1
157.10115	15.5
159.06694	2.0
161.05962	2.8
161.09692	1.9
163.03932	3.1
163.11145	3.7
165.12724	6.1
173.04449	8.8
173.05893	3.4
175.11189	11.6
181.12241	2.5
189.11206	4.2
193.12247	39.6
194.35909	1.8
199.03902	2.4
199.07455	2.2
209.11783	2.2
211.13286	52.2
213.05432	2.0
217.04985	2.0
227.12712	3.9
229.14357	7.2
235.13058	2.4
249.14857	4.5
267.15988	25.0
273.14917	3.8
283.15524	2.8
285.09879	1.6
285.17020	25.5
301.14276	4.5
311.12866	2.6
319.15347	3.6
329.13870	2.6
337.16129	4.9
355.17639	5.0
367.22528	2.1
385.23672	2.1
393.19058	2.9
399.18109	1.9
405.05615	1.6
411.20029	7.2
429.21201	8.2
457.69574	1.9
459.27475	10.9
477.28610	14.2
495.29547	14.1
519.28894	2.1
561.30688	2.1
585.30157	3.2
603.31256	5.2
621.32556	11.4
639.33838	21.5
701.73199	2.1
783.37067	6.6
801.35834	3.5
821.48816	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	800.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	20.0
57.07073	12.7
60.08158	3.1
61.02922	2.9
65.03938	5.3
65.42809	1.7
67.05508	83.9
69.03437	10.2
69.07072	65.2
70.69695	1.6
71.04982	6.8
71.07354	2.8
71.08617	7.4
71.49230	2.4
73.02895	2.2
79.05492	57.4
81.03424	13.6
81.07059	100.0
82.01801	1.9
83.04998	14.7
83.08621	36.0
83.09072	3.6
85.02906	7.6
85.06545	5.1
85.10159	3.5
86.09707	25.2
89.06028	4.9
91.05481	40.6
92.30322	1.5
93.07050	65.3
93.07633	3.9
94.29144	1.6
95.04980	10.9
95.08614	52.7
97.02896	6.3
97.06531	19.5
97.10172	17.6
98.98462	2.9
99.08055	4.3
104.10773	3.4
105.04529	1.8
105.07034	28.1
107.04962	7.6
107.08600	37.6
109.06509	6.2
109.10149	18.3
111.04444	1.9
111.08096	7.5
111.11720	4.9
113.09570	1.9
117.07018	17.8
119.06090	1.9
119.08579	20.8
121.06497	6.2
121.10155	33.3
123.08077	6.5
123.11719	8.0
125.00014	16.9
125.09621	5.5
127.03992	3.6
128.06232	2.1
129.07013	5.2
131.08556	19.3
133.10130	20.5
135.08083	4.5
135.11700	25.8
137.09634	2.1
137.13275	2.4
141.06955	2.8
143.08543	3.6
145.04901	2.3
145.10091	12.7
147.11732	9.5
149.09601	12.7
149.13235	14.8
151.11165	2.7
155.08554	3.6
157.10080	4.6
159.11699	12.0
161.09538	2.0
161.13237	3.1
163.11168	6.4
163.14754	2.4
169.10182	2.8
171.11716	4.2
173.04562	2.3
173.13286	6.8
177.12790	3.5
179.14319	3.2
183.11690	2.7
184.07343	81.1
195.13823	6.9
197.13336	2.1
205.12430	1.8
217.15903	2.7
219.21094	2.4
227.12782	3.0
229.14380	1.8
237.22073	5.4
239.17955	2.1
251.16734	1.9
255.15990	14.5
257.18924	10.2
267.16010	2.9
269.17484	37.3
275.20053	34.0
291.19543	2.8
293.21121	4.1
311.25812	94.1
312.26151	3.2
331.22577	3.9
349.23749	26.7
367.24759	4.0
379.62738	1.8
413.21375	3.5
466.71970	1.8
491.37390	22.8
505.38916	80.6
506.39029	3.6
509.58160	1.8
532.70129	2.0
545.41742	5.0
585.45154	25.2
586.44861	2.7
603.45923	7.5
800.54901	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	800.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	13.1
57.07078	26.8
60.08171	3.4
61.53397	2.0
63.98276	1.8
67.05199	3.2
67.05507	35.5
67.99310	2.0
69.03420	8.8
69.07072	28.5
69.16778	17.9
71.07376	2.0
71.08633	20.6
74.09727	2.5
75.92323	2.0
79.05492	24.7
79.90118	1.7
81.03439	9.3
81.06655	2.9
81.07065	27.8
83.04971	3.9
83.08617	14.2
85.02895	1.9
85.10183	12.9
86.09708	17.4
91.05498	17.5
93.07049	16.6
95.04967	7.2
95.08609	28.2
97.02911	13.0
97.06519	2.6
97.10178	15.8
98.98463	2.2
105.07021	10.7
107.04928	5.2
107.08584	10.1
109.06503	3.3
109.10140	14.7
117.07012	7.6
119.08577	13.7
121.06501	2.6
121.10139	4.2
123.08069	4.3
123.11679	2.9
124.99995	11.1
125.09641	8.2
129.06993	2.8
131.08551	8.4
133.06546	2.2
133.10136	4.1
135.08089	2.7
135.11703	3.0
139.98262	2.0
143.08559	4.4
145.10135	6.2
147.08040	5.0
149.09622	2.4
157.10129	3.3
159.11707	3.6
161.09634	4.5
165.09158	2.2
177.12755	2.0
184.05807	3.6
184.07356	46.2
185.07675	9.2
186.07813	4.2
189.11221	3.9
223.13281	22.6
227.12807	4.4
239.23854	2.2
249.15019	3.4
273.18478	15.5
275.20148	2.3
291.19556	100.0
292.19913	4.1
313.27350	73.5
331.56091	2.0
347.22028	4.5
365.23245	57.7
378.81683	2.2
475.85876	1.9
507.57208	1.9
523.39569	4.6
528.03528	2.0
603.46228	77.8
604.46710	4.7
800.54089	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	800.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
57.03428	2.6
57.06830	0.8
57.07079	9.8
58.06594	0.9
60.08169	6.7
67.05508	18.4
68.05832	0.6
69.03424	1.6
69.07072	6.9
69.21748	6.1
69.71580	0.6
70.73016	0.5
71.04990	1.4
71.07378	3.8
71.08643	6.0
73.02923	0.6
77.09563	0.5
79.05499	10.5
81.03418	2.9
81.07063	18.7
83.04986	3.1
83.08622	3.6
85.06534	1.5
85.10194	4.0
86.09709	31.6
89.06046	0.7
91.05485	15.6
93.07052	10.5
95.04976	2.3
95.08606	9.2
97.02918	0.5
97.06506	1.2
97.10165	2.0
98.98465	3.9
103.05423	0.8
104.10734	1.5
105.07030	13.5
107.04957	2.7
107.08603	10.8
109.06522	2.3
109.10163	17.5
111.08109	1.0
117.07021	1.6
119.08594	2.9
121.06511	1.9
121.10144	2.5
123.08048	0.9
123.11713	3.8
124.99097	1.4
125.00012	22.5
127.07572	1.1
129.07014	1.2
131.08559	3.6
133.06453	0.9
133.10138	20.7
135.08093	1.6
135.11671	1.6
137.09593	0.7
143.08549	1.7
145.10152	2.0
147.08072	0.8
147.11726	1.4
149.09644	2.5
151.11186	9.5
157.10150	1.4
159.11732	0.7
161.09627	2.7
161.13257	0.7
163.11148	0.9
169.12279	1.3
171.11697	0.7
175.11179	1.1
177.09166	1.1
184.07350	100.0
185.07634	1.7
193.12241	0.7
215.12773	1.2
245.19028	1.6
251.12743	1.4
253.14369	48.5
257.24811	0.6
263.20047	2.2
273.18494	9.4
291.19556	8.6
305.57312	0.6
309.20651	0.9
313.27405	18.6
333.22040	0.6
341.27020	1.1
347.22217	3.6
365.23218	9.7
456.41415	0.6
478.87607	0.7
507.36496	1.0
509.38525	6.9
585.45038	1.3
603.46191	19.9
604.46332	1.6
628.46368	1.2
782.56799	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	799.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.0
58.02794	1.1
61.02921	5.0
67.05499	6.1
69.03418	3.7
69.07082	3.0
69.79737	5.1
73.02926	3.7
79.05505	4.5
81.07043	6.7
83.08584	1.3
85.02911	4.7
86.09698	1.9
91.03966	3.7
91.05473	1.9
93.07052	4.1
95.08597	4.9
97.02908	4.0
98.20776	2.0
98.90038	1.1
101.02393	2.1
104.40270	1.1
105.07029	1.2
107.08572	1.5
109.10185	3.1
121.10165	2.3
125.00008	1.7
126.97389	1.0
127.03961	1.8
135.17519	1.0
156.12657	0.9
161.13298	1.2
176.85114	1.0
184.07361	9.2
184.55336	1.1
185.07730	1.3
203.05342	1.1
243.08372	1.9
519.29089	6.8
521.31055	7.5
624.18677	1.1
627.45081	1.3
783.46643	1.2
799.53290	100.0
800.53723	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	799.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.9
57.07081	2.5
59.04988	2.1
61.02918	3.4
65.03944	5.3
67.05510	45.5
69.03433	37.5
69.07064	9.7
69.60333	5.1
69.60744	4.6
71.01351	4.0
71.04982	6.1
73.02923	7.5
79.05497	32.8
81.03422	100.0
81.07061	32.8
83.01337	2.0
83.04984	20.9
83.08617	16.8
85.02904	24.9
85.06532	1.9
87.04494	2.0
91.05484	35.1
93.07051	21.6
95.04973	23.9
95.08615	13.6
97.02898	33.8
97.06522	4.9
97.10174	10.2
98.21461	2.1
99.04468	10.8
99.08097	1.8
101.06062	1.4
103.05491	1.5
105.04495	2.0
105.07041	16.7
106.45710	1.4
107.04957	14.6
107.08622	13.9
109.02885	23.2
109.06513	5.9
109.10168	20.4
110.10490	1.6
111.04448	14.9
111.08067	6.7
117.07030	7.9
119.04894	2.0
119.08595	16.7
121.02844	2.7
121.06519	5.0
121.10164	12.3
123.04457	7.1
123.08086	4.3
123.11762	2.1
123.28398	1.6
125.05980	1.4
125.09598	8.3
127.03929	18.5
128.06194	1.5
129.05492	2.6
129.06985	8.4
131.04944	4.4
131.08578	12.7
133.06488	4.7
133.10124	8.6
135.04424	4.4
135.08075	3.3
135.11673	3.9
137.05969	3.3
137.09619	3.2
138.93364	2.1
139.03879	1.7
141.06984	3.5
141.10858	1.5
142.07771	3.1
145.06467	3.8
145.10146	6.5
147.04427	4.2
147.08060	3.4
147.11703	14.9
149.05945	2.0
149.09616	6.2
151.03905	3.5
153.05379	2.0
153.12720	4.1
154.88530	1.6
155.08528	2.5
155.10637	2.8
157.08859	1.5
157.10101	7.8
159.08101	1.9
161.05965	3.0
161.09627	2.2
163.03806	2.5
163.11237	6.8
165.12727	3.7
171.08054	2.2
173.04459	15.1
173.06023	5.9
173.09641	3.3
173.11777	3.7
175.03825	1.6
175.11189	8.3
178.71338	1.5
181.12204	4.4
184.07359	2.7
187.07620	1.7
189.05426	1.9
189.11241	5.2
191.10675	5.8
193.12234	21.0
197.09709	2.0
199.05954	3.8
201.05461	3.3
209.11714	6.5
211.13281	27.3
213.05463	2.5
217.04987	6.0
217.06944	2.2
223.13199	2.0
227.12685	12.2
229.14310	13.9
235.13249	2.1
243.13913	2.0
247.13324	1.7
253.07227	1.8
267.15948	13.4
273.14856	1.6
283.15424	6.4
285.10022	1.7
285.16919	4.9
289.14462	2.7
289.54172	1.4
301.14035	2.6
311.04416	1.4
311.12640	1.7
329.13928	2.8
337.16467	3.1
353.15884	2.9
385.16388	4.3
401.04987	1.5
401.23132	1.7
411.19690	2.0
421.26074	6.8
427.19705	3.2
429.19678	2.4
439.26947	9.8
440.27124	5.5
457.25613	2.2
463.59216	1.6
475.26743	6.3
493.27972	3.1
565.30139	2.8
583.30664	5.7
619.30463	4.4
637.31726	5.3
781.36078	3.3
799.37744	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	799.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.0
59.04996	3.7
65.03947	2.6
67.05506	34.3
69.03435	34.0
69.07065	7.2
71.01337	2.6
71.04996	10.3
73.02927	2.5
79.05495	26.7
81.03423	100.0
81.07053	26.2
83.01319	2.6
83.04987	25.5
83.08614	14.4
85.02911	20.5
85.06538	2.0
91.05485	31.1
93.07048	24.9
95.04977	23.8
95.08623	12.5
95.23505	1.9
97.02898	26.5
97.06526	7.2
97.10175	5.7
98.20783	4.1
99.04455	11.0
99.08131	2.4
101.02372	1.9
105.07036	17.9
107.04958	12.6
107.08602	17.2
109.02876	29.1
109.06509	6.1
109.10145	5.5
111.04443	21.0
111.08095	10.4
115.05483	2.2
117.07024	11.1
119.08584	14.5
121.06512	5.5
121.10160	11.4
123.04402	3.3
123.08060	4.5
125.09645	6.4
127.03925	24.5
128.06216	2.1
129.05473	3.2
129.07004	9.2
131.04936	3.4
131.08575	7.7
133.06502	4.6
133.10094	5.3
135.04404	3.6
135.08058	2.6
135.11699	10.3
137.05952	2.6
137.09660	2.5
142.07852	1.9
143.08585	3.2
144.05701	1.9
145.06494	3.6
145.10112	11.8
147.04385	2.0
147.08020	4.5
147.11684	13.1
149.06001	2.4
149.09601	5.3
153.12711	11.7
155.03391	2.5
155.08557	3.4
157.06499	3.1
157.10112	7.4
161.05923	5.2
163.03860	4.8
163.11200	18.9
165.12810	4.3
169.10049	2.2
171.04535	2.4
173.04457	9.8
173.05997	23.0
173.09665	4.3
175.11252	6.6
177.05458	2.1
177.80606	2.1
181.12260	13.2
183.06548	2.0
185.06000	3.1
187.07553	4.5
189.05533	2.3
189.11174	3.5
191.10658	12.4
193.12245	20.8
199.07565	4.5
201.05476	8.8
209.11765	8.2
211.13290	35.6
213.05432	2.5
213.76407	1.9
217.04950	26.5
227.12744	27.8
229.14401	2.3
249.14978	2.6
267.16129	11.4
273.15009	2.5
283.12836	2.7
283.15439	22.4
285.17136	9.3
289.14322	4.1
301.16827	2.1
311.12747	6.3
313.14218	5.5
329.13901	14.4
340.75937	2.1
353.15836	6.2
355.15305	1.8
355.17725	2.2
383.22379	2.7
385.16440	19.1
386.16806	2.2
419.24365	2.3
427.19528	5.9
429.19135	4.9
457.25684	5.9
463.17230	2.1
475.27087	15.0
479.80106	2.0
493.28079	16.6
511.29660	3.1
595.28918	2.6
611.28375	6.3
619.31006	7.0
637.32294	19.9
655.32666	2.4
781.35791	6.6
799.36133	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	798.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.9
58.06631	0.4
60.08169	6.2
63.43740	0.1
67.05502	0.3
69.07077	0.2
69.70439	0.8
70.06581	0.1
71.07381	4.0
79.05511	0.2
81.07059	0.5
81.89217	0.1
83.08610	0.1
86.09711	32.0
87.10052	0.3
91.05493	0.1
93.07028	0.2
95.04819	0.1
95.08641	0.3
98.98466	4.0
103.07738	0.1
104.10753	2.5
104.24078	0.1
105.07024	0.1
109.10159	0.3
112.93391	0.1
119.08601	0.2
125.00011	22.0
143.01007	0.1
147.08098	0.1
147.90430	0.1
166.02676	0.2
184.07352	100.0
185.07675	1.2
407.10275	0.1
518.32422	0.2
688.35895	0.1
780.55457	3.4
781.55371	0.2
799.35864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94262	0.4
57.03432	2.5
57.07069	0.4
61.02931	7.7
65.03924	0.5
67.05510	6.6
69.03432	4.2
69.07069	1.7
70.62408	0.9
70.62745	0.5
71.01339	0.5
71.05010	0.9
72.32541	0.4
73.02925	5.3
79.05487	5.1
81.03424	2.6
81.07059	7.2
83.08629	0.6
85.02910	6.4
86.09725	0.7
91.03969	3.8
91.05482	2.9
93.07047	4.5
93.07589	0.6
95.04939	0.6
95.08607	5.0
97.02893	7.0
99.04450	0.9
100.50674	0.4
101.02395	2.0
105.07052	1.2
107.08615	2.6
109.02905	1.1
109.10185	1.4
114.71790	0.4
117.06998	0.7
119.08606	1.2
121.10165	2.3
127.03948	1.5
131.08601	1.4
133.10130	1.0
135.11714	1.2
145.10158	0.7
161.13412	0.5
173.13271	0.6
184.07343	2.4
203.05341	0.5
234.68283	0.4
243.08417	2.6
249.81604	0.4
331.73196	0.4
335.25821	0.6
433.07843	0.4
519.29297	15.2
520.30157	0.7
525.27148	0.4
797.51733	100.0
798.51917	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
58.06623	0.5
59.07404	0.1
60.08167	6.5
67.05496	0.4
69.07066	0.2
69.22600	1.0
70.11587	0.1
71.06987	0.2
71.07378	4.3
79.05498	0.3
81.07068	0.4
86.09712	33.5
87.10049	0.3
88.77254	0.1
91.05487	0.2
93.07038	0.1
95.08607	0.3
98.98473	4.1
104.10751	3.2
107.08617	0.2
109.10139	0.1
119.08598	0.1
125.00014	23.4
126.00375	0.1
143.01091	0.1
166.02638	0.2
169.41943	0.1
182.78212	0.1
184.07353	100.0
185.07715	0.8
186.07767	0.1
210.76563	0.1
520.34277	0.2
746.50543	0.1
778.54340	0.2
796.54913	3.7
797.55139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.9
58.06637	0.5
59.07396	0.2
60.08167	6.2
67.00896	0.1
67.05502	0.3
70.06600	0.2
70.11705	0.3
70.37559	0.1
71.07374	3.4
79.05463	0.2
81.07066	0.1
86.09709	28.4
87.10014	0.6
91.05515	0.2
93.07081	0.2
98.98471	3.9
104.10750	1.8
107.08566	0.1
114.45891	0.1
125.00010	19.8
142.85448	0.1
143.01027	0.1
166.02730	0.2
184.07347	100.0
185.07690	1.9
186.07822	0.5
272.44260	0.2
276.10019	0.2
362.49185	0.1
468.74408	0.1
488.38596	0.1
516.30725	0.3
775.27045	0.1
778.53882	2.9
779.52417	0.2
796.52966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
58.06331	0.3
58.06623	0.5
59.07399	0.2
60.08164	6.7
62.46649	0.1
67.05472	0.3
70.12105	0.5
71.07371	4.2
73.83099	0.1
79.05486	0.3
81.07049	0.4
86.09705	34.4
87.10023	0.4
91.05470	0.2
95.08594	0.1
98.98463	4.2
104.10745	2.5
105.29714	0.1
111.65514	0.1
113.81623	0.1
125.00005	23.9
129.74255	0.1
181.41338	0.2
184.07338	100.0
185.07697	1.3
186.07744	0.3
208.05087	0.1
229.03459	0.1
384.49866	0.1
400.88559	0.1
520.33514	0.2
778.53882	3.0
779.53052	0.2
796.51782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
58.14911	0.5
59.05012	0.5
59.24066	0.4
59.77864	0.5
60.08171	0.6
61.02927	4.4
65.03967	0.5
67.05503	4.6
69.03426	2.3
69.07068	1.0
69.80305	1.1
69.80714	1.6
71.04993	1.6
73.02922	3.4
79.05492	4.5
81.03421	4.6
81.07058	3.8
83.05008	0.7
83.08611	0.7
83.93295	0.5
85.02907	3.8
86.09721	1.5
87.04482	0.9
91.03975	3.1
91.05473	4.2
92.17974	0.4
93.07053	4.4
95.04976	1.4
95.08599	2.4
97.02896	4.4
97.06515	0.8
99.04477	1.1
101.02412	2.2
103.66748	0.5
105.07023	3.6
107.04987	0.5
107.08591	3.1
109.02850	0.5
109.10167	1.0
111.04448	0.6
111.08094	0.7
117.07065	0.8
119.08605	2.3
121.10164	2.2
125.00034	1.9
127.03953	1.3
129.07022	0.9
131.08586	1.6
133.10115	2.5
135.11705	0.9
143.08566	0.5
145.10205	0.6
147.08147	0.5
147.11745	2.1
149.09654	1.7
157.10081	1.2
161.13234	0.7
175.11223	0.9
184.07352	5.4
185.04362	1.0
185.07719	1.1
193.12366	1.3
243.08415	4.2
244.42470	0.5
253.03651	0.5
259.08057	0.6
283.15070	4.8
301.09030	2.1
315.10608	1.1
339.17868	1.0
356.62683	0.5
373.11276	1.2
381.18954	0.6
441.21112	0.7
442.26999	0.5
465.21429	1.3
489.55182	0.5
501.23148	13.0
501.30319	1.2
535.28937	7.0
573.25311	2.0
587.26929	0.5
697.37732	0.7
709.31781	6.0
795.45062	100.0
796.45282	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	795.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.0
61.02930	7.8
67.05501	5.6
69.03432	4.2
69.07072	2.1
69.55273	6.7
73.02908	5.0
79.05479	6.1
81.03417	6.1
81.07048	4.6
83.05004	1.2
83.08627	2.3
85.02908	8.6
91.03952	6.1
91.05493	3.4
91.14201	0.9
93.07018	5.1
93.34023	0.9
95.05000	3.1
95.08618	1.4
97.02899	6.1
97.06567	1.6
99.04469	1.1
101.02409	2.7
105.07032	2.1
107.04926	1.3
107.08611	2.5
109.02893	1.9
109.10213	1.6
114.68773	1.0
119.08611	2.0
125.00017	1.5
127.03934	2.7
129.05513	2.8
131.08583	1.7
133.10207	2.2
135.11743	2.1
147.11707	2.0
157.10207	1.0
181.04756	1.4
184.07336	6.5
185.04285	4.4
193.12305	2.0
201.03679	1.2
211.13304	1.4
241.06627	1.2
243.08336	6.1
251.12535	2.1
277.14194	1.7
301.08887	12.4
301.11615	1.0
315.10599	4.0
333.20547	2.7
341.12091	1.5
371.10913	1.0
371.16675	1.1
373.11102	5.7
383.16977	1.2
385.18402	5.9
413.18066	1.3
429.17627	2.6
431.24094	1.2
433.25787	1.3
439.19528	6.1
443.19165	3.7
469.20529	23.5
470.21167	1.2
477.24612	1.5
481.20541	3.1
485.20364	2.8
487.03644	1.0
499.21335	2.7
511.21268	1.0
513.26849	1.1
528.22064	3.0
541.22485	7.4
551.28357	4.0
583.30060	1.4
611.30774	2.4
612.31201	2.0
623.30316	2.0
625.33008	1.3
637.32635	1.6
641.31354	3.0
651.33612	1.5
667.33002	26.5
693.38049	2.1
709.34143	25.5
710.34363	1.3
749.40393	2.7
777.40747	6.5
795.41376	100.0
796.41870	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	795.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
61.02936	5.0
67.05507	6.1
69.03432	4.3
69.07098	2.2
70.06586	1.2
70.94730	1.8
71.05034	1.0
73.02921	5.4
79.05494	5.7
81.03429	4.0
81.07040	5.2
83.04984	1.3
83.08628	1.4
85.02908	5.8
91.03961	4.6
91.05494	4.3
93.07051	5.1
94.98248	1.1
95.04945	1.2
95.08610	2.2
97.02884	7.1
97.06533	1.4
97.10191	1.8
98.86559	1.0
99.04469	1.2
99.60523	0.9
101.02380	2.3
105.07047	1.6
107.08606	2.3
109.02905	1.0
109.10172	1.4
110.02448	1.0
111.08067	1.2
112.03041	0.9
117.12702	0.9
119.08631	1.5
120.86703	0.9
121.10174	1.4
125.37287	1.1
127.03942	3.0
129.05469	2.3
131.08620	1.8
133.10155	1.3
135.11707	1.4
149.09590	1.5
157.10028	1.4
184.07388	3.1
185.04263	3.4
193.12321	1.2
221.11525	1.3
243.08406	5.1
251.12567	2.0
255.15990	1.2
263.12524	1.0
301.03470	1.0
301.08917	11.7
301.11624	1.0
313.04501	1.1
315.10571	3.9
327.10391	1.3
333.20465	5.2
357.15488	1.5
371.16879	1.8
373.11093	5.3
373.23587	1.7
383.16772	1.3
385.18478	6.7
395.98666	1.2
429.17352	1.4
429.99780	1.1
431.24081	2.6
439.19345	7.4
453.21201	3.5
457.20053	1.2
469.20609	10.4
477.24942	2.9
481.20502	4.0
515.33582	1.1
533.27313	1.2
541.22577	19.0
551.28448	10.5
561.33960	1.3
583.29688	1.6
597.29291	1.1
610.29749	1.6
623.30457	6.8
625.31958	4.1
637.32483	1.9
647.09631	1.1
650.79126	1.1
651.33844	3.2
667.32898	24.9
668.33142	1.9
679.35425	1.2
693.38074	6.0
709.34015	6.7
733.41113	2.2
735.38953	1.5
749.40771	2.5
777.40393	5.1
778.40533	1.6
795.41357	100.0
796.41760	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	795.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
61.02930	4.5
67.05505	6.4
69.03439	4.1
69.07076	2.1
69.29092	1.0
69.29499	4.2
69.39014	0.5
71.05000	1.3
71.07378	0.5
73.02911	3.1
73.73311	0.5
79.05496	6.6
81.03422	5.4
81.07051	4.3
83.04985	1.8
83.08627	1.7
83.66933	0.5
85.02905	5.3
86.09721	3.3
91.03951	2.7
91.05475	4.6
93.07064	3.4
95.04950	3.2
95.08627	2.0
97.02877	4.3
97.06527	2.8
97.10182	0.6
99.04466	1.2
101.02379	1.5
105.07034	3.2
107.04962	0.8
107.08610	2.3
109.02899	1.4
109.06532	0.9
109.10163	2.4
111.08127	0.6
111.48683	0.5
115.03970	0.5
117.06988	1.0
119.08591	1.7
121.02885	0.6
121.06552	0.6
121.10160	1.5
123.08153	0.6
125.00015	2.5
127.03938	1.1
129.07025	1.1
131.08632	1.0
133.10156	1.7
135.11707	1.5
136.12050	0.6
137.05794	0.7
145.10141	1.2
147.08093	0.7
147.11714	1.5
149.09657	0.7
149.13210	0.9
153.23196	0.5
157.10120	1.1
175.11211	0.9
184.07335	10.1
185.04260	0.6
185.07745	1.6
193.12206	1.1
199.13954	0.5
243.08527	2.2
251.12778	0.7
271.30539	0.5
332.74814	0.5
349.19891	5.5
435.27435	1.5
436.27798	2.5
439.19345	1.1
467.19012	1.8
469.20526	5.8
473.61371	0.5
567.27844	3.3
569.29315	1.0
795.41345	100.0
796.41595	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	794.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.9
57.07079	8.4
61.02909	5.1
61.40396	1.7
62.77674	1.8
64.69035	1.8
65.03934	2.7
67.05508	100.0
69.07071	40.5
69.13769	17.9
71.04992	3.5
71.08616	3.2
72.75465	1.5
79.05080	3.3
79.05499	45.4
81.03422	2.1
81.07059	96.4
83.08627	23.9
85.02901	3.4
86.09704	5.8
87.04462	8.0
91.04004	2.0
91.05482	29.1
93.07045	52.8
95.04978	4.0
95.08614	76.4
96.43895	1.7
97.02905	2.1
97.06542	4.3
97.10162	11.5
97.10720	1.7
105.07038	24.3
107.08599	31.3
109.06499	2.8
109.10154	35.7
111.08054	4.0
111.11710	2.4
113.67027	1.6
117.07009	6.8
119.08598	20.4
121.10152	23.5
123.08074	2.6
123.11734	8.4
125.00020	2.8
129.07021	1.9
131.08600	12.6
133.10130	15.7
135.11716	15.8
137.13263	3.8
145.10120	9.9
147.11711	13.1
149.13257	13.2
151.14806	1.9
157.10129	2.2
159.11754	8.7
161.13245	10.4
162.55086	1.6
163.14825	4.7
171.11667	2.1
173.13252	8.0
175.14864	4.6
177.16418	2.8
184.07359	13.1
187.14790	3.7
189.16420	2.2
219.20958	2.0
241.19612	3.4
243.21100	7.1
245.22665	4.4
259.20517	6.5
261.22189	23.3
263.23669	5.3
264.40070	1.5
267.61499	1.7
299.23251	2.1
317.24777	5.2
332.84036	1.7
333.24313	6.0
335.25809	97.2
336.26065	3.1
337.27368	95.4
339.28870	8.0
523.45044	4.2
597.48724	31.7
598.48975	2.2
615.49835	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	794.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.8
57.07056	0.1
58.06623	0.5
59.07398	0.1
60.08165	6.2
67.05492	0.4
69.07077	0.1
70.06589	0.2
71.06988	0.2
71.07372	3.7
79.05489	0.3
80.62474	0.1
80.97427	0.1
81.03389	0.1
81.07066	0.5
83.04991	0.1
83.08617	0.1
86.09706	31.4
87.04459	0.3
87.10023	0.4
91.05481	0.3
93.07000	0.2
95.08596	0.4
98.98468	3.9
98.99134	0.2
104.10748	3.1
105.07038	0.2
107.08605	0.1
115.82797	0.1
119.08559	0.1
120.08113	0.6
125.00007	23.2
143.01050	0.2
146.09654	3.5
152.10728	0.4
159.11610	0.1
161.01715	0.1
164.10799	0.2
165.29710	0.1
166.02713	0.1
178.12280	3.9
178.54666	0.1
184.07339	100.0
185.07684	0.8
196.13344	0.7
229.13686	0.1
229.47578	0.1
244.07225	0.2
276.09961	7.7
277.10336	0.1
277.21750	0.2
347.85776	0.1
534.31543	0.2
617.17346	0.1
635.42767	0.1
776.52484	0.2
794.52960	3.7
795.53296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.0
58.06637	0.5
59.07381	0.1
60.08167	6.9
62.27018	0.1
67.05503	0.3
70.06577	0.1
70.15237	0.3
70.15623	0.2
71.07375	4.1
78.47735	0.1
79.05502	0.2
80.42049	0.1
80.97401	0.1
81.03391	0.1
81.07085	0.2
86.09708	34.0
87.04458	0.3
87.10039	0.4
91.05476	0.2
93.07034	0.3
98.98468	4.3
104.10063	0.2
104.10751	2.5
107.08635	0.1
109.10150	0.1
125.00007	23.8
151.82272	0.1
167.09511	0.1
171.68788	0.1
177.14726	0.1
184.07344	100.0
185.07724	1.1
314.37399	0.1
400.95798	0.1
443.32254	0.1
516.30341	0.2
600.98431	0.1
776.52246	2.8
777.52045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
60.08178	0.7
61.02927	5.3
67.05512	7.1
68.05845	0.8
69.03439	3.9
69.07082	4.5
71.01347	0.7
71.05001	2.9
71.49234	0.6
73.02910	3.7
74.05038	0.5
79.05496	6.6
80.05859	1.0
81.03414	5.3
81.07048	6.7
82.07404	0.8
83.05005	1.1
83.08620	1.4
85.02905	5.4
85.53278	0.5
86.09715	3.5
87.04458	1.0
91.03975	2.8
91.05487	7.7
92.05849	0.9
93.07043	5.2
95.04986	2.6
95.08607	4.6
97.02905	5.4
97.06564	2.1
101.02417	1.5
105.07051	5.5
107.04990	2.0
107.08588	4.0
108.08959	0.6
109.02917	0.9
109.06510	0.6
109.10179	1.2
117.07043	1.5
119.08584	5.0
121.06571	0.8
121.10199	2.8
123.04449	0.7
123.08119	1.1
123.11866	0.7
125.00056	2.4
125.09673	1.0
127.03933	1.5
129.05508	0.8
129.07063	1.4
131.08597	2.9
133.10115	4.7
135.11740	1.3
137.09676	0.6
145.10170	1.6
147.11748	2.5
149.09660	2.4
151.11215	1.0
157.10196	1.6
159.11829	0.8
163.11174	0.6
172.95085	0.6
184.07373	8.1
185.04239	1.1
185.07794	1.5
193.12407	1.5
203.05292	0.6
238.33072	0.6
243.08417	4.0
261.11124	0.7
267.15961	0.9
275.20175	1.0
283.15366	2.3
301.09021	2.9
315.19534	2.4
339.18869	0.6
343.13345	0.7
371.22128	1.0
373.11011	1.3
385.18704	1.6
455.19095	0.8
469.20694	1.2
479.19031	0.9
483.22736	0.8
485.19870	0.6
501.23111	10.3
509.55066	0.6
531.25720	0.8
533.27185	8.3
533.34473	0.9
539.21289	2.4
549.26892	0.9
623.30731	1.3
631.38739	1.0
679.33856	0.8
683.76080	0.9
689.41010	1.2
707.35083	0.8
747.38257	0.7
775.38379	0.8
775.75922	0.7
793.43420	100.0
794.43909	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
55.05517	13.2
57.03202	1.0
57.03441	11.2
57.07057	2.7
60.22524	0.9
61.02919	2.3
65.03932	3.6
67.05510	65.9
69.07075	15.3
71.04973	1.6
71.08615	1.2
71.21027	1.7
71.21365	1.1
79.05498	36.9
79.79902	0.8
80.65543	0.8
81.07061	64.5
83.04984	1.9
83.08622	7.8
85.02907	3.0
85.06544	2.2
91.05486	21.0
93.07050	48.1
95.04984	2.1
95.08613	47.3
97.02875	2.2
97.06530	3.2
97.10159	3.5
99.08059	1.1
105.04555	1.9
105.07039	18.5
107.08604	24.7
109.06534	1.0
109.10161	21.7
117.07030	7.4
119.08594	15.2
121.06450	1.1
121.09345	1.5
121.10150	22.3
123.11716	10.3
129.06996	1.8
131.08580	12.0
133.10149	10.9
135.11691	15.3
137.09650	1.6
137.13193	2.5
143.08539	1.9
145.10129	9.7
147.11694	10.1
149.13263	7.7
151.14737	0.9
157.10179	1.1
159.11719	9.6
161.13245	8.3
163.14847	5.0
165.12849	1.0
171.11662	2.7
173.13283	7.1
175.11095	0.8
175.14787	4.5
177.12721	1.4
177.16435	1.7
183.11729	1.0
185.13239	1.8
187.14807	3.3
190.06479	1.0
191.14334	1.2
199.14845	1.2
201.16377	1.0
213.16400	0.9
231.17493	1.1
241.19522	2.2
243.21136	5.0
259.20517	8.5
261.22153	18.4
263.23672	1.3
299.23758	1.4
315.23120	0.9
317.24683	3.8
333.24188	5.5
335.25821	100.0
336.26184	2.6
337.27402	8.5
521.43524	1.6
595.47156	14.6
613.48187	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	792.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.2
55.05519	30.8
57.03442	16.4
57.07075	2.4
59.05016	2.3
61.02926	3.3
65.03954	5.9
67.05512	100.0
68.20394	2.3
69.03442	3.7
69.07085	27.1
69.73101	13.4
71.04993	5.5
79.05499	47.0
81.03426	72.2
81.07067	71.9
82.03773	2.4
83.04993	20.3
83.08624	40.3
85.02917	29.6
85.06557	4.3
86.09682	4.0
91.05489	55.4
92.05803	2.5
93.07053	43.9
95.04971	31.4
95.08618	31.0
96.81491	2.6
97.02901	5.6
97.06530	10.8
97.10166	10.4
98.20788	3.0
105.07043	43.5
107.04992	12.3
107.08610	32.9
109.06525	8.9
109.10166	46.7
111.04510	4.2
111.08091	15.2
112.63293	2.1
113.06049	3.5
115.05473	4.2
117.07024	10.9
118.19685	2.2
119.08600	31.3
121.06504	6.3
121.10139	18.8
123.08089	6.0
123.11703	6.2
125.09615	6.2
129.07007	16.3
131.08588	22.2
133.06497	2.5
133.10136	25.8
134.10497	2.7
135.08028	6.6
135.11703	6.6
137.06030	2.3
137.09602	6.5
143.08562	4.3
145.10144	12.6
147.08066	4.1
147.11708	23.4
149.09668	14.6
149.13246	6.9
155.10692	3.6
157.10139	17.6
159.11710	9.5
161.13350	3.2
163.11180	4.2
165.12781	5.7
167.10571	2.4
171.11661	4.2
172.70554	2.3
173.11780	6.3
175.11183	17.8
177.12773	2.9
184.07390	7.9
187.11177	2.4
193.12260	51.7
195.13820	3.6
211.13309	56.4
227.12779	8.1
229.14322	29.2
257.19107	6.1
267.15970	26.7
269.17480	23.1
275.00018	2.6
275.20099	34.0
285.14053	4.8
285.17004	61.1
293.21133	4.4
343.25436	2.3
349.23743	24.3
367.24704	11.2
421.25977	9.5
439.26999	76.7
440.26944	5.4
443.27158	2.8
449.29349	2.6
461.28989	23.9
479.30063	64.6
480.30457	4.9
541.35413	21.2
559.36389	43.1
577.37476	16.7
653.78833	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	790.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05036	0.8
58.06601	0.4
60.08162	6.7
67.05499	0.7
67.11852	0.2
69.07070	0.4
69.80479	0.9
71.07372	4.0
71.08622	0.3
79.05485	0.6
81.07058	0.7
83.08629	0.2
86.09705	34.9
87.10027	1.0
91.02686	0.2
91.05485	0.4
93.07035	0.4
95.08620	0.3
97.10190	0.3
98.98466	3.8
104.10733	2.6
105.07021	0.2
107.08625	0.3
109.10149	0.3
125.00000	22.2
126.00333	0.4
133.10179	0.3
137.14624	0.2
145.10075	0.3
157.86482	0.2
166.02638	0.2
184.07336	100.0
185.07697	3.0
186.07780	0.9
188.29413	0.2
267.15955	0.2
275.20026	0.5
410.12109	0.2
483.84879	0.2
496.33392	0.3
499.75836	0.2
564.38940	0.3
772.54657	5.7
773.54126	0.6
780.26910	0.2
790.55957	4.4
791.55420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.0
57.82376	0.1
58.06641	0.4
59.07374	0.1
59.22626	0.1
60.08167	7.3
64.84612	0.1
66.25346	0.1
66.32865	0.1
67.05515	0.1
68.51071	0.1
69.16460	1.2
70.06599	0.2
70.10101	0.1
71.07377	3.9
79.05502	0.1
80.65323	0.1
81.07077	0.1
86.09708	33.8
87.10034	0.3
89.64431	0.1
98.20770	0.2
98.98465	4.1
104.10744	3.1
112.81361	0.1
125.00008	23.1
128.70659	0.1
143.01070	0.1
144.72018	0.1
156.43465	0.1
166.02742	0.1
184.07344	100.0
185.07655	0.8
319.71692	0.1
681.51825	0.1
690.46991	1.5
772.54846	0.6
790.41718	0.1
790.55859	2.3
791.56860	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	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.3
55.05511	27.7
57.03442	12.4
57.07077	2.7
65.03931	3.3
67.05509	61.1
69.03419	7.8
69.07068	15.4
70.61486	7.1
71.04977	8.2
79.05499	61.8
81.03419	51.9
81.07062	53.0
83.04976	6.7
83.08627	16.4
83.60657	2.3
84.29509	2.3
85.02885	3.2
85.06578	2.6
88.69788	2.3
91.05492	57.1
93.06515	2.3
93.07047	57.9
94.22324	2.4
95.04977	17.2
95.08611	36.7
97.02910	6.2
97.06525	6.1
97.10167	11.0
99.08100	3.8
105.07028	55.1
107.04942	9.4
107.07959	3.3
107.08608	28.7
108.24715	2.1
109.06532	6.1
109.10163	18.0
111.08089	3.5
117.07017	23.4
119.08588	43.6
121.06488	5.1
121.10161	29.6
123.08050	6.1
123.11701	4.0
125.09608	8.6
128.06233	3.5
129.07018	14.9
129.19104	3.0
131.08575	34.9
133.06491	3.5
133.10135	32.0
135.08061	5.1
135.11670	12.9
141.06993	4.3
143.08559	14.2
145.06447	3.3
145.10152	22.8
147.08051	7.2
147.11696	24.2
149.09639	8.2
149.13245	7.2
155.08636	5.6
157.10156	22.6
159.11659	14.5
161.13254	8.4
163.11179	6.8
167.08502	3.8
167.63284	2.5
169.10120	7.1
171.08060	3.1
171.11685	13.4
173.09651	3.3
173.13268	13.3
175.11157	7.2
181.10112	4.0
183.11703	7.3
184.07359	5.9
185.13269	10.6
189.11263	5.1
189.12811	3.7
193.12157	6.0
195.11626	4.1
197.13354	4.8
199.14853	6.6
207.11681	3.4
209.13239	6.9
213.16371	3.7
217.16058	3.3
219.11546	3.1
223.14804	3.5
227.12791	8.9
241.19534	6.4
257.18881	2.5
259.20590	16.0
260.20428	2.6
267.15952	20.3
275.20230	5.1
280.40140	2.2
281.22980	2.5
297.22034	3.2
299.23700	6.1
301.20892	2.7
315.23300	3.2
333.24246	10.5
357.24307	3.7
421.25632	6.1
423.27502	3.2
433.30954	12.9
435.27319	6.9
451.32074	16.0
460.16663	3.0
469.33087	5.2
507.34656	3.4
525.35791	54.8
526.35687	3.4
543.36890	100.0
544.37500	3.9
557.38379	11.9
575.39844	12.2
607.44080	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	790.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.2
55.05515	36.5
57.03439	21.2
57.07063	2.1
59.05005	33.5
60.08155	1.2
61.02905	3.3
65.03934	3.6
67.05508	100.0
68.05809	1.8
69.03409	4.4
69.07071	16.6
71.04991	12.0
71.08609	1.2
73.02919	1.5
74.12911	0.9
79.05499	48.1
80.05838	1.2
81.03430	6.3
81.07058	54.3
83.04984	6.1
83.08614	14.2
85.02913	7.7
85.06525	3.6
86.09699	5.1
87.04474	57.9
89.06007	1.0
91.03953	1.9
91.05483	26.2
93.07044	38.7
94.07395	1.7
95.04952	4.6
95.08610	38.8
97.02898	4.3
97.06528	4.4
97.10168	17.4
98.98505	1.2
99.04461	17.3
99.08082	1.3
105.04515	1.4
105.07036	15.5
107.04978	2.1
107.08600	28.5
109.06527	3.1
109.10165	56.2
111.04452	2.2
111.08072	3.5
113.59123	1.0
117.07045	4.7
119.07813	1.4
119.08596	17.6
121.06499	2.4
121.10146	19.9
123.08077	2.3
123.11709	3.9
124.99995	3.9
125.05975	1.1
125.09635	15.3
127.03937	1.8
128.06232	1.2
129.06981	3.6
131.08583	9.2
133.06514	1.0
133.10106	8.7
135.07982	1.2
135.11702	11.5
137.09593	4.5
137.13158	2.0
143.08589	2.8
143.10634	2.4
145.10129	10.2
147.11699	6.3
149.09618	2.4
149.13260	6.5
153.12766	1.2
155.10654	6.4
157.10104	1.5
159.11742	5.0
161.13316	5.2
163.11195	5.5
163.14795	2.0
165.12729	1.5
171.11588	1.6
173.11716	14.2
173.13263	6.6
175.11205	2.0
175.14795	1.8
181.12238	2.2
184.07336	19.2
185.13260	1.6
187.14813	2.6
189.11250	1.7
191.10712	2.0
193.12178	1.1
199.13297	10.2
217.14308	1.4
223.13271	1.8
227.12798	7.3
229.14369	40.6
229.71558	1.2
241.14297	2.5
243.21040	4.1
257.13867	1.3
259.20566	2.1
261.22125	14.4
267.15958	5.4
277.21622	1.5
283.15411	1.5
289.21707	2.0
311.94473	1.0
315.17966	9.0
317.24677	2.5
327.22989	1.3
333.19113	1.3
335.25821	54.5
336.25974	2.4
351.25076	1.4
363.25272	3.9
370.79153	1.0
451.32040	1.4
459.34409	1.6
477.35803	16.0
489.35837	42.9
490.36139	2.0
543.36755	3.1
575.38934	2.3
593.40314	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.0
55.05513	41.2
57.03442	17.9
57.07081	2.7
58.24175	1.0
59.05007	25.8
60.08156	1.3
61.01012	1.0
61.02921	3.7
65.03928	4.7
67.05508	100.0
68.05849	1.4
69.03436	6.5
69.07070	17.7
71.04995	12.0
71.08649	1.3
71.22171	2.0
71.22508	1.5
73.02924	2.0
79.05499	52.8
81.03417	9.0
81.07061	57.2
82.07388	1.2
83.04993	8.1
83.08622	16.7
85.02903	7.1
85.06553	4.2
86.09712	9.6
87.04472	40.9
89.06027	2.3
91.03978	1.1
91.05488	26.8
93.07050	46.8
94.07344	1.3
95.04999	5.5
95.08611	38.9
97.02881	4.1
97.06535	4.9
97.10174	17.1
98.98479	1.5
99.04456	19.4
99.08109	2.5
101.05929	1.2
105.04517	1.5
105.07041	18.6
107.04976	4.2
107.08595	26.3
109.06503	2.2
109.10161	54.1
111.04447	4.0
111.08089	3.8
115.03915	1.9
117.07030	9.7
119.08588	18.0
121.06564	1.4
121.10144	19.2
123.08079	2.1
123.11723	5.6
125.00006	6.0
125.09633	18.4
127.03905	1.1
129.05447	1.2
129.06989	1.9
131.08574	11.6
133.10143	10.5
135.11694	12.3
137.09634	3.1
137.13271	1.4
143.08568	2.1
145.10135	9.9
147.08051	1.4
147.11722	6.8
149.09613	3.2
149.13234	6.2
155.10637	6.5
157.10144	3.0
159.11703	5.2
161.13278	5.1
163.11153	6.6
163.14864	2.2
168.79758	1.0
171.11684	2.9
173.09613	1.6
173.11743	12.7
173.13286	4.2
175.11232	1.4
175.14934	1.2
177.09381	1.1
177.11189	1.1
181.12288	1.3
183.11739	1.4
184.07347	28.1
187.14847	2.7
189.11189	2.2
191.10657	2.2
193.12123	2.9
199.13298	9.6
209.11702	2.0
209.39682	1.1
223.13293	2.7
225.14853	1.5
227.12741	6.7
229.14355	34.8
241.14391	4.1
243.21100	2.9
257.13773	1.7
259.20563	1.7
261.22147	12.1
267.15945	5.9
275.20056	3.4
277.21609	1.3
283.15573	1.3
289.21674	1.7
315.18103	5.8
317.24716	2.2
331.22226	1.1
333.19125	1.5
335.25800	53.0
336.25983	3.2
351.25131	1.4
363.25327	3.3
477.35806	19.2
489.35803	31.9
490.35480	1.3
501.98730	1.2
531.40637	3.6
543.36737	3.3
561.37866	1.8
575.39178	2.9
610.45087	2.8
613.48676	2.5
628.46179	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	790.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.4
55.05516	43.7
56.70823	3.8
57.03432	15.2
65.03926	4.1
66.96957	3.7
67.05510	92.5
69.03416	11.5
69.07063	29.4
71.05002	15.4
79.05500	83.6
80.05835	6.4
81.03416	58.0
81.07056	100.0
83.04993	18.4
83.08617	24.9
85.02892	8.1
85.06530	8.4
86.09698	16.9
88.65043	3.9
91.05482	75.9
93.07055	78.5
93.07631	4.1
94.07367	5.3
95.04974	28.0
95.08607	44.3
97.06517	12.1
97.10166	14.7
99.08107	4.3
105.07029	67.8
106.07322	5.3
107.04961	11.6
107.08615	42.8
109.06530	12.3
109.10166	27.0
111.04444	4.3
111.08076	10.2
117.06993	28.2
119.08595	48.6
121.06495	7.4
121.10140	29.0
121.12494	3.6
123.08083	6.9
123.11681	6.9
125.00019	9.2
125.09658	13.0
129.07002	15.7
131.08586	30.8
133.10147	41.2
135.08029	6.1
135.11716	21.6
137.09625	7.8
142.07784	7.6
143.08545	15.9
145.10147	34.4
147.08087	6.3
147.11652	28.7
149.09627	7.1
149.13274	14.4
151.11130	8.5
155.08594	8.9
157.10170	19.6
158.63145	3.8
159.11661	19.9
161.13272	11.2
163.11209	8.9
169.10172	7.1
171.11707	15.1
173.13290	11.4
175.11200	9.4
181.10144	6.2
182.64069	4.1
183.11737	5.8
184.07343	50.1
185.13225	9.8
185.31725	4.7
189.11314	4.2
193.12242	12.4
195.11639	5.6
197.13350	7.9
213.16541	4.9
227.12813	16.0
259.20615	14.4
267.15860	23.1
269.17346	8.5
275.20032	12.7
283.15393	9.3
299.23499	6.6
301.16696	4.1
333.24265	15.2
349.23953	8.2
399.26779	4.3
421.25861	9.4
433.31000	10.7
451.31937	11.6
469.33307	4.0
477.28357	6.3
495.28970	5.1
517.35260	5.6
525.35736	62.8
541.34979	4.7
542.35797	5.6
543.36700	92.1
544.36938	7.3
557.38232	14.1
575.39203	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	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	3.7
55.01881	31.7
55.05517	64.1
56.91389	2.5
57.03444	25.5
59.05013	3.1
61.02925	2.8
64.66058	2.7
65.03940	5.3
67.05512	92.2
69.03449	14.9
69.07077	57.5
71.04983	8.7
73.02931	4.2
77.03890	2.9
79.05502	100.0
81.03426	53.0
81.07063	83.6
82.04196	3.0
83.04993	31.1
83.08630	44.2
85.02920	18.9
85.06548	4.6
86.09706	7.7
91.05491	79.9
93.07062	68.1
95.04979	38.2
95.08614	40.6
97.02899	12.4
97.06545	30.5
97.10175	47.7
99.04430	4.0
99.08044	3.6
105.07041	58.6
106.78654	3.7
107.04960	23.8
107.08603	65.9
109.02851	3.9
109.06533	14.7
109.10176	36.9
111.04436	6.1
111.08104	14.9
113.06028	2.8
116.04718	7.5
117.07019	14.2
119.08605	44.4
121.06477	5.4
121.10162	25.3
123.08070	14.3
123.11710	4.4
124.99985	4.0
125.08779	4.1
125.09642	44.4
127.03920	5.5
129.05516	21.2
129.06972	14.9
131.08580	24.9
133.06516	4.3
133.10139	41.7
135.08083	11.8
135.11694	18.6
137.09644	15.2
140.15561	2.5
141.06963	3.4
142.07808	3.7
143.07037	4.1
143.08598	6.5
145.10126	29.2
147.08095	7.9
147.11703	23.2
149.09619	33.4
149.13297	6.2
153.09128	4.7
153.12758	2.6
155.08522	4.3
155.42221	2.7
157.08618	9.5
157.10155	13.5
159.07993	4.0
159.11736	18.0
161.09602	5.5
161.13321	10.3
163.11223	20.4
165.09094	5.3
169.10127	3.9
171.10205	6.7
171.11618	4.1
173.09604	6.2
173.11865	3.6
173.13274	6.0
175.11172	15.1
177.12781	6.8
179.14354	3.5
181.12292	3.2
183.11714	4.0
184.07353	24.6
189.11234	28.1
193.12244	37.7
199.13268	3.0
209.11720	9.6
211.13286	32.9
223.13303	2.7
227.12781	68.3
228.88297	3.4
229.14383	5.0
245.13754	4.4
253.18124	2.9
255.15988	4.4
257.19067	10.1
267.16034	28.2
269.17538	5.5
273.18481	7.3
275.17233	3.1
275.20093	61.3
283.15442	15.6
285.16974	25.9
291.19608	14.1
293.21060	6.5
301.16510	48.3
331.22742	5.1
349.23770	56.9
365.23416	5.3
397.22568	4.6
421.25601	4.7
435.27280	3.0
439.26944	14.3
459.26727	3.2
471.25812	5.2
477.28452	11.2
479.30209	4.2
495.29688	8.3
541.34979	16.1
557.34723	17.3
559.36359	21.9
575.35754	51.5
576.36005	4.6
577.36835	4.4
593.36627	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	790.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.2
55.05514	36.5
57.03440	30.2
57.07076	4.1
59.04989	5.3
61.02913	6.7
64.26162	2.2
65.03939	6.9
65.94473	2.4
67.05509	86.9
69.03433	20.9
69.07073	54.7
69.20352	21.9
69.78381	2.3
71.04993	26.4
73.02908	4.4
75.17525	2.4
79.05495	92.2
81.03421	70.5
81.07056	100.0
83.01341	5.8
83.04977	29.1
83.08624	34.8
85.02911	27.0
85.06534	5.8
91.03975	2.6
91.05487	87.2
93.07049	74.1
95.04976	37.3
95.08601	38.9
97.02882	14.7
97.05923	4.3
97.06537	72.2
97.10167	6.3
99.04464	5.3
99.08098	7.3
103.05442	3.4
105.04491	4.1
105.07036	55.0
105.64526	2.1
107.04955	18.6
107.08607	38.1
109.02875	5.8
109.06519	25.1
109.10169	21.7
111.04447	5.9
111.08065	12.8
113.06014	2.4
115.05446	4.6
115.07565	21.3
117.07026	24.2
119.08594	46.5
121.06491	12.7
121.10149	25.7
123.08069	11.5
123.11726	6.3
125.00027	2.9
125.09647	6.4
127.03919	3.7
127.07522	3.3
128.06192	6.5
129.05461	2.3
129.07005	18.8
131.08580	30.5
133.06506	6.2
133.10152	28.2
135.08066	12.6
135.11707	10.8
137.09615	5.5
142.07803	6.4
143.08562	8.5
145.06482	4.4
145.10115	26.0
147.08044	9.4
147.11702	20.9
149.09637	14.2
149.13274	14.0
151.11128	5.8
155.08545	5.2
157.10136	17.5
159.08060	3.8
159.11659	12.3
161.09622	5.1
161.13205	2.4
163.11182	17.8
165.07060	2.5
165.09132	4.3
165.12733	3.7
167.08694	2.7
169.10159	2.8
171.11668	5.7
173.04469	4.8
173.09718	3.6
173.11777	3.0
173.13232	4.3
175.11217	12.6
175.14856	2.1
177.12784	3.6
181.12250	2.6
183.11716	5.5
184.07370	10.3
185.13197	3.0
187.11174	2.7
189.11182	4.3
191.10718	5.7
193.12259	40.4
195.13829	8.1
199.14842	4.6
209.11690	2.9
211.13272	52.1
211.15248	3.0
217.15848	7.7
219.13759	2.5
227.12782	7.8
229.14348	5.1
230.73004	2.1
233.15370	5.7
245.18938	4.9
253.14322	4.9
255.17557	4.0
257.19067	4.6
267.15927	19.5
269.17484	27.9
273.18509	29.3
275.20078	17.2
283.15414	47.7
285.16965	41.0
291.19556	14.6
293.21143	4.3
347.22144	9.3
349.23618	12.6
365.23248	8.5
367.24725	4.6
437.25394	12.1
459.27444	3.0
461.28824	12.3
465.28622	3.4
477.28455	50.6
479.30106	21.2
511.34680	3.0
517.31635	2.5
539.33643	3.6
557.34753	31.9
575.35803	25.4
593.36798	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.9
55.05268	3.5
55.05515	42.8
57.03442	21.9
57.07071	5.6
61.02913	5.5
63.24044	1.9
65.03939	9.4
67.05506	100.0
69.03434	16.1
69.07072	51.1
70.74308	6.0
71.01373	5.0
71.04985	9.0
73.02907	3.3
73.31879	2.3
78.91546	2.0
79.05495	78.1
81.03420	77.8
81.07057	87.2
82.94929	2.2
83.04981	31.4
83.08620	34.4
85.02914	30.4
85.06548	6.1
91.04910	4.5
91.05483	92.2
93.07043	69.6
95.04964	43.8
95.05563	2.4
95.07997	3.0
95.08607	42.3
97.02905	10.6
97.06530	25.1
97.10172	10.9
99.04485	3.6
99.08078	2.8
105.04558	3.1
105.07037	66.7
106.12370	2.3
107.04955	22.1
107.08595	34.3
109.02851	3.2
109.06526	8.3
109.10146	25.4
111.04440	2.8
111.08086	16.8
113.05985	2.4
114.48458	2.0
115.05434	3.5
117.07034	17.5
119.08589	53.3
121.06520	8.4
121.10148	20.5
123.08094	10.2
123.11707	6.1
125.09631	11.7
127.07665	2.4
129.05501	9.4
129.07014	18.5
131.08578	33.3
133.06514	6.3
133.10135	32.2
135.08047	3.5
135.11702	12.8
137.09616	13.1
141.07048	4.1
142.07733	5.4
143.08592	3.0
144.09264	2.4
145.10141	18.7
147.08073	6.6
147.11693	31.1
149.09618	18.6
149.13268	5.0
149.15631	2.3
151.11157	3.9
155.08562	2.7
155.10750	3.1
157.08786	3.0
157.10141	16.0
159.11671	11.0
161.13304	6.7
163.11214	11.6
165.12816	5.8
169.10159	3.0
173.11690	6.4
173.13225	3.8
175.11171	24.4
177.12714	3.6
179.14345	4.4
181.12343	3.4
184.07379	7.4
185.13293	2.8
187.14900	2.7
193.12244	53.9
193.13884	3.9
195.13860	3.0
199.13280	3.6
211.11340	4.7
211.13290	65.9
223.13461	2.9
227.12769	8.5
229.14403	8.8
239.18092	2.6
243.15880	3.2
247.20641	2.9
255.16026	6.9
257.19019	9.1
267.15915	23.8
269.17484	9.1
273.18472	5.1
275.20059	34.4
276.20572	2.0
283.15417	3.3
285.16962	45.2
291.19601	4.8
293.21228	4.1
301.16400	17.7
349.23770	32.6
381.22766	5.6
397.73669	2.5
423.27634	2.6
439.26938	6.6
458.96191	2.4
463.30792	5.6
465.28510	4.8
477.28702	4.1
479.30450	3.6
488.96820	2.3
495.29486	10.0
541.35077	9.8
557.34674	3.1
559.36261	27.7
575.35284	7.8
577.36786	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.8
55.05274	2.9
55.05513	40.3
57.03199	2.4
57.03439	29.2
57.07067	6.5
61.02910	8.7
65.03934	7.2
67.05508	95.2
67.80639	2.1
69.03433	14.0
69.07069	33.8
71.05003	20.3
71.08638	1.9
71.22417	2.9
73.02900	6.1
79.05495	77.4
80.06226	3.0
81.03419	27.1
81.07056	100.0
82.04185	6.0
82.07361	2.2
83.04977	21.5
83.08611	18.0
85.02908	12.6
85.06522	6.7
86.09703	8.4
91.03963	3.4
91.05484	88.5
93.07046	66.6
94.07396	1.9
95.04974	25.5
95.08601	38.1
97.02914	11.6
97.06532	16.8
97.10176	17.3
98.07278	3.6
99.08075	7.8
103.05453	4.5
104.06282	2.7
105.07037	66.8
106.07346	3.3
107.04953	12.3
107.08597	46.1
109.02874	3.1
109.06510	7.9
109.10159	23.4
111.04440	4.1
111.08089	10.6
115.05478	2.3
115.42712	1.9
115.89623	2.0
116.04700	8.4
117.07027	25.7
119.08591	46.9
120.08890	2.5
121.06486	5.8
121.10160	21.1
123.04397	2.9
123.08044	7.6
123.11704	9.1
124.99977	5.1
125.05946	2.4
125.09644	14.2
127.03945	3.7
127.33527	2.1
128.06209	4.8
129.05502	22.4
129.06982	11.5
131.04857	1.8
131.08565	29.4
133.06436	2.7
133.10144	44.1
134.10503	3.5
135.08028	6.5
135.11676	17.0
136.12029	2.4
137.09619	5.4
141.06973	2.5
142.07806	4.3
143.07031	3.3
143.08569	7.1
145.10144	23.1
147.11710	29.8
149.09625	10.9
149.13257	16.2
151.11174	7.7
155.08540	2.2
157.08725	4.3
157.10118	9.9
159.11667	15.5
161.09634	3.3
161.13278	14.6
163.11217	13.4
165.12801	2.5
171.10312	3.1
171.11652	10.4
173.11847	3.0
173.13278	9.4
175.11185	5.3
175.14865	3.0
175.27138	1.8
177.12709	4.5
179.14320	2.7
183.11635	4.9
184.07365	24.5
185.13284	4.1
187.14737	3.5
189.11183	5.6
189.12799	2.7
191.10699	2.2
193.12265	7.4
195.13821	5.2
197.13229	2.7
199.13303	4.6
199.14906	2.5
200.14006	3.1
201.16505	2.7
206.32938	1.9
209.11830	2.8
210.12520	2.3
220.91005	2.0
227.12807	8.5
229.14235	2.8
231.21129	2.3
241.19476	8.7
253.14177	2.2
254.14676	2.0
255.15909	3.0
257.18994	4.5
259.20572	23.2
267.15903	9.5
268.16315	3.8
269.17487	11.2
275.20041	19.1
276.20306	2.9
277.21414	1.9
283.15347	6.3
291.19644	2.3
293.20862	3.5
301.16489	39.6
301.20029	6.1
302.16669	2.6
315.23212	3.4
331.22260	2.2
333.24268	13.7
349.23703	11.4
351.25159	3.1
363.21387	2.4
367.24310	2.4
381.22665	3.0
423.27457	3.2
437.28934	5.9
449.28793	5.3
451.30930	2.2
461.29147	3.0
463.30328	6.1
495.33270	6.4
517.35168	7.9
525.35950	3.7
541.35345	4.8
542.35760	6.5
543.36298	16.3
559.36157	7.9
560.37000	2.6
575.39136	4.1
744.35901	5.5
790.40277	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	790.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	18.7
55.05512	48.7
57.03439	29.9
57.07064	3.7
59.04977	3.1
61.02916	5.2
63.03994	1.8
65.03934	5.6
67.05507	84.0
69.03441	10.3
69.07075	29.1
69.54056	6.1
69.54472	6.1
71.01345	4.8
71.04985	9.8
71.91711	1.7
73.02917	4.8
79.05026	3.0
79.05495	72.1
81.03422	57.6
81.07059	100.0
83.04983	25.6
83.08623	25.9
85.02913	18.2
85.06575	4.3
86.09695	2.5
87.04469	2.8
91.05488	77.6
93.07047	67.2
95.04969	37.1
95.08608	37.5
97.02913	9.2
97.06528	23.8
97.10174	16.2
98.07295	4.2
98.21472	4.4
99.04455	2.5
99.08070	4.5
103.05465	2.2
103.79604	1.9
105.04512	2.7
105.07034	45.3
107.04961	15.7
107.08599	42.9
109.02865	2.7
109.06545	13.8
109.10167	22.1
111.04398	5.0
111.08070	15.3
113.06026	2.3
115.05437	3.5
116.04707	5.6
117.07018	16.4
119.08593	35.2
121.06503	5.7
121.10138	24.5
123.08060	12.2
123.11669	6.3
124.99978	4.0
125.09618	14.5
127.03931	2.6
127.07574	2.5
128.06183	2.6
129.05507	15.0
129.06984	11.2
131.04962	2.5
131.08571	24.4
133.06421	3.2
133.10147	34.4
135.08043	8.6
135.11713	25.2
137.09608	5.4
141.06956	2.5
143.07077	2.9
143.08549	5.8
145.06535	2.1
145.10097	17.4
147.08038	5.7
147.11700	19.4
149.09634	13.2
149.13219	12.6
151.11217	4.6
155.08568	3.6
157.08551	6.2
157.10109	13.0
159.11734	10.5
161.09627	4.7
161.13254	3.1
163.11186	15.9
165.12746	4.0
169.10115	3.1
171.06520	4.1
171.10170	4.8
171.11618	3.7
173.04382	2.0
173.09593	2.3
173.13222	4.3
175.11195	15.6
177.12711	4.3
181.12260	6.8
184.07393	14.7
185.13234	2.5
189.11234	4.5
191.10600	2.8
193.12257	29.6
195.13800	9.0
199.13336	7.0
209.11678	5.7
211.13269	33.1
227.12723	9.0
229.14337	2.3
239.17859	2.0
243.15952	6.4
253.14247	2.9
255.15866	20.7
257.18964	5.4
259.20575	2.3
267.15906	22.3
269.17471	30.1
273.18472	5.3
275.20059	17.0
283.15366	8.5
285.16943	23.5
291.19623	4.6
301.16486	47.1
349.23672	13.3
409.25748	2.2
423.27228	10.9
461.28998	3.2
465.28568	5.4
477.28314	4.2
478.29343	3.7
481.27771	8.8
495.29556	40.9
557.34619	4.2
575.35907	9.2
593.37317	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	789.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.0
55.05518	13.2
57.03446	5.9
57.07073	2.3
60.08171	6.4
65.03947	2.5
67.05507	35.5
69.03429	1.3
69.07074	15.9
70.10797	3.3
71.05013	1.5
71.07370	4.2
79.05073	2.0
79.05499	26.7
79.56420	1.0
81.03452	2.4
81.07061	37.4
82.00325	1.1
82.12894	1.0
83.04974	5.1
83.08635	5.3
83.37256	1.3
85.06543	1.3
86.09712	33.4
87.10053	4.4
91.05489	34.1
93.07048	31.0
93.07641	1.3
95.01332	5.3
95.04977	5.0
95.08619	22.5
97.06532	13.2
97.10167	2.4
98.98461	4.1
104.10741	3.1
105.07037	40.2
107.04939	6.9
107.08591	12.3
109.06519	3.7
109.10147	6.5
115.05412	1.3
117.07042	8.2
119.08581	20.1
121.10139	10.0
123.08076	1.2
125.00009	21.6
125.09583	1.3
131.08566	13.2
133.10136	22.7
135.08025	2.0
135.11700	5.8
139.07585	1.1
143.08568	2.6
145.10123	10.3
147.08086	1.3
147.11699	7.8
149.09627	3.6
149.13293	2.9
151.11243	1.5
157.10098	1.5
159.11699	4.8
161.13222	2.4
169.10092	1.4
171.11829	1.4
173.13289	1.7
177.12820	2.3
179.14322	6.1
184.07349	100.0
185.07733	13.0
219.17447	11.6
239.17879	1.4
257.19064	4.0
270.35266	1.2
275.20090	39.7
276.20514	1.1
293.20932	2.1
334.27371	1.1
335.25818	37.4
349.23822	13.6
411.30325	1.2
601.43542	1.1
609.45184	60.0
610.45367	4.6
789.54022	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	789.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.8
55.05511	11.5
57.03437	6.3
60.08154	5.1
61.02925	2.9
65.03924	3.6
67.05509	41.3
69.03439	5.6
69.07072	14.1
71.04987	1.4
71.07368	3.3
73.02924	1.9
77.69576	1.3
79.05499	26.1
81.03431	7.5
81.06597	2.0
81.07061	38.2
83.04990	7.7
83.08616	5.8
85.02899	3.9
85.06561	1.5
86.09712	33.3
87.10038	4.4
91.05486	27.4
93.07048	31.3
95.01364	1.1
95.05003	5.6
95.08612	23.5
97.02898	4.0
97.06537	9.3
97.10155	2.4
98.98469	3.2
99.04446	2.2
99.08099	1.1
104.10723	3.4
105.07041	27.9
107.04954	4.8
107.08602	18.3
109.02801	1.6
109.06516	3.9
109.10161	12.3
111.08099	1.3
117.07031	9.9
117.76292	1.1
119.08585	19.7
121.06493	2.7
121.10136	10.2
123.08053	2.9
123.11710	3.9
125.00005	25.0
127.03872	1.4
129.07002	3.4
131.08569	12.2
133.06404	1.2
133.10133	17.1
135.08035	4.1
135.11676	6.3
137.09607	3.2
139.11140	1.3
141.06998	1.3
143.08543	3.5
145.10143	9.4
147.11726	7.2
149.09615	2.9
149.13266	3.1
151.11154	1.7
155.08580	2.0
157.10146	2.5
159.08057	1.5
159.11693	6.7
161.09668	1.1
161.13280	2.5
163.11110	2.0
169.10126	2.4
171.11674	2.7
173.13232	4.0
179.14304	2.2
183.11673	1.6
184.07355	100.0
185.07719	14.8
185.13187	1.5
187.14789	1.8
197.13148	1.5
197.73842	1.2
199.14870	1.2
219.17424	2.5
229.57198	1.3
239.18053	1.7
253.14470	2.1
257.19009	4.2
259.09241	1.2
259.20404	1.6
261.22110	1.9
275.20068	25.9
277.21854	1.2
291.19635	1.3
293.21121	2.4
335.25833	30.9
336.26312	1.5
349.23743	14.5
529.38458	3.2
545.37726	1.1
609.45276	23.8
610.44922	1.8
627.46063	4.9
771.52985	4.9
789.53754	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	788.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.1
56.05046	1.0
58.06360	0.2
58.06623	0.4
60.08170	6.8
67.05508	0.2
70.06578	0.2
71.07379	4.0
76.45968	0.1
79.05486	0.2
80.96758	0.1
81.07062	0.2
86.09714	32.3
87.10052	0.4
91.05517	0.2
95.08615	0.2
97.37445	0.1
98.98476	4.0
103.48378	0.1
104.10747	3.3
104.38948	0.2
107.08617	0.2
113.78275	0.1
125.00017	22.5
126.00377	0.1
129.90204	0.2
137.32249	0.1
184.07358	100.0
185.07721	1.9
186.07858	0.6
267.40613	0.1
421.80548	0.2
491.16086	0.1
577.21228	0.2
605.48187	0.2
702.45587	0.2
770.53217	0.3
788.54364	5.5
789.54736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
56.05034	0.7
58.06638	0.3
59.07402	0.2
60.08167	6.1
61.09563	0.1
67.05513	0.2
70.06609	0.1
70.94900	0.3
71.07379	3.9
77.46203	0.1
80.97463	0.1
81.07085	0.2
86.09709	30.3
87.10033	0.2
91.05517	0.1
93.07092	0.1
98.98468	3.8
104.10748	2.8
117.95718	0.1
125.00010	21.6
126.00388	0.1
132.22334	0.1
142.53238	0.1
153.63216	0.1
166.02534	0.1
168.05383	0.1
183.69901	0.1
184.07346	100.0
185.07698	0.7
206.19139	0.1
496.33997	0.2
562.37970	0.1
676.45148	0.1
690.46960	1.0
691.46942	0.1
752.51764	0.1
770.53375	0.6
788.54321	2.8
789.54395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05042	1.0
57.03435	0.2
57.07063	0.2
58.06629	0.5
59.07376	0.1
60.08165	6.5
67.05496	0.6
69.07065	0.3
71.06982	0.3
71.07375	3.9
71.08643	0.2
79.05490	0.7
81.07056	0.7
83.08611	0.2
86.09708	32.2
87.10020	0.3
91.05477	0.6
93.07040	0.4
95.04966	0.1
95.08618	0.7
97.06535	0.1
97.10184	0.1
98.98466	3.6
104.10756	2.7
105.07035	0.4
107.05000	0.2
107.08599	0.4
109.06558	0.1
109.10152	0.3
117.07009	0.2
119.08576	0.4
121.10188	0.2
125.00008	21.7
125.52482	0.1
131.08578	0.3
133.10182	0.4
134.05867	0.1
135.11661	0.2
143.01070	0.2
145.10130	0.2
147.22166	0.1
163.11192	0.2
184.07343	100.0
185.07668	0.9
185.13524	0.1
242.91083	0.2
275.20117	0.4
335.26056	0.3
342.11765	0.1
347.25946	0.1
496.33932	0.2
549.22253	0.1
562.38287	0.2
609.45587	0.2
770.40344	0.3
770.53320	3.9
771.52911	0.3
788.54211	4.4
789.54352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05510	0.7
56.05038	1.1
57.03441	0.2
57.07096	0.1
58.06633	0.4
59.07386	0.1
60.08166	6.7
65.03947	0.1
67.05504	1.7
69.03429	0.3
69.07063	0.6
70.06594	0.2
71.04996	0.2
71.07375	4.3
71.49633	0.2
72.64404	0.1
79.05499	1.4
79.05930	0.2
80.05826	0.2
80.97443	0.1
80.98662	0.1
81.03409	0.3
81.07054	1.5
82.07388	0.2
83.04990	0.3
83.08621	0.4
83.09084	0.1
85.02904	0.2
86.09707	34.3
87.10042	0.3
91.05475	1.0
93.07053	1.0
95.04959	0.4
95.08611	0.7
97.02876	0.3
97.06501	0.1
97.10181	0.3
98.98466	4.5
104.10747	3.1
105.07042	0.7
105.07655	0.1
106.07372	0.2
107.04952	0.3
107.08585	0.6
109.06529	0.1
109.10162	0.5
111.04434	0.1
111.08136	0.1
117.07024	0.4
117.71083	0.1
119.08569	0.6
120.08925	0.2
121.10152	0.4
123.08073	0.2
125.00006	23.2
125.09622	0.2
127.03923	0.1
128.06282	0.1
129.06960	0.1
131.08562	0.4
133.10179	0.3
135.08057	0.2
135.11734	0.3
137.09621	0.2
143.01073	0.1
143.08511	0.1
145.10115	0.4
147.08035	0.2
147.11662	0.3
149.09668	0.3
151.11177	0.1
155.08510	0.1
157.10139	0.2
159.11737	0.2
163.11180	0.4
171.11792	0.1
173.09601	0.1
173.11790	0.2
173.13193	0.1
184.07343	100.0
185.07672	0.9
189.11256	0.2
193.12248	0.3
196.84392	0.1
223.13235	0.2
227.12708	0.2
257.18863	0.1
271.50952	0.1
274.18900	0.2
275.20032	1.0
289.17917	0.3
291.19547	0.2
292.19754	0.2
293.21124	0.8
335.25742	0.3
336.25821	0.1
496.33664	0.3
562.38037	0.5
626.44580	0.3
690.47009	0.5
752.50989	0.1
770.53033	0.7
788.54346	2.4
789.53998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	1.1
55.01870	11.5
55.05515	19.2
57.03436	11.2
57.07058	1.6
61.02910	1.5
64.66609	1.0
65.03939	3.0
67.05506	45.7
68.05855	1.7
69.03416	6.0
69.06738	1.4
69.07073	21.5
70.80411	2.8
71.01351	1.5
71.04987	6.2
71.07345	1.2
71.08630	1.3
79.05495	40.5
81.03420	47.2
81.07059	52.5
82.07374	1.2
83.04978	10.7
83.08633	14.7
85.02885	4.0
85.06532	4.9
86.09689	4.5
87.04446	1.5
91.05482	49.5
92.77708	1.3
93.07045	37.0
95.01325	4.9
95.04391	1.2
95.04971	18.0
95.08609	22.7
97.02888	4.8
97.06538	14.0
97.10175	5.8
99.04444	1.5
103.05478	3.0
105.07030	53.2
107.04962	14.1
107.08601	20.2
109.06521	6.9
109.10160	21.9
111.04415	1.8
111.08073	5.4
113.06020	1.5
113.09639	1.3
115.05463	1.9
117.07020	12.2
119.08585	29.7
121.06480	6.5
121.10137	9.8
123.08056	5.3
123.11707	3.4
124.99995	1.9
125.09644	6.4
127.03914	1.4
127.07536	1.5
128.06285	1.6
129.05478	2.1
129.07002	8.0
131.08571	19.7
133.06496	2.4
133.10143	35.3
134.10457	1.1
135.08043	5.0
135.11673	5.4
137.09657	1.7
139.11073	1.3
142.07790	1.8
143.08589	6.2
145.06450	2.1
145.10150	10.3
147.08067	2.0
147.11679	15.0
149.09627	9.1
149.13258	3.3
151.11169	9.9
155.08600	2.0
157.08722	2.3
157.10101	9.1
159.11699	6.4
161.09608	2.3
161.13292	3.9
163.11166	4.3
165.09227	1.3
165.12706	1.5
169.10139	2.6
169.12286	1.4
171.11743	3.7
173.13237	3.1
175.11183	6.1
177.12764	2.6
179.14302	5.2
181.10100	1.7
183.11688	2.8
184.07330	13.9
184.12349	1.2
185.13217	2.0
193.12263	9.1
197.13315	2.2
199.13289	1.8
211.13284	3.7
219.17384	1.7
227.12822	2.5
229.14282	1.4
250.83734	1.3
253.14346	26.9
257.19067	3.0
259.20709	1.2
263.20258	1.5
267.15921	39.9
271.15286	1.2
273.18466	6.2
275.20074	29.3
283.15604	1.7
285.16974	2.8
291.19492	7.6
293.21127	1.2
301.16531	7.9
349.23740	19.3
365.23212	4.8
461.28992	1.8
479.30219	1.4
497.27350	2.0
529.38892	1.9
541.35266	100.0
542.35242	4.6
559.36304	5.6
583.36200	1.6
591.34692	6.4
608.44031	2.5
621.87561	1.4
625.45020	1.4
626.44464	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	788.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.4
55.05516	41.6
57.03443	30.4
59.04994	5.9
61.02913	8.1
65.03940	7.2
67.05509	82.8
69.03436	21.2
69.07072	54.3
71.01362	4.0
71.04991	27.7
71.49152	3.4
73.02906	6.5
79.05497	94.9
81.02985	5.0
81.03418	48.0
81.07059	72.6
83.01344	11.8
83.04978	29.6
83.08624	24.9
85.02912	18.4
85.06554	6.0
85.81884	2.7
86.09693	4.4
87.04449	2.8
91.04913	3.8
91.05486	76.5
93.07047	74.2
95.04974	36.2
95.08611	37.8
97.02880	18.6
97.06532	100.0
97.07169	5.7
97.10166	10.6
98.03275	2.6
98.57948	2.9
99.04448	6.4
99.08067	6.1
100.09349	2.5
103.05436	3.3
105.07045	54.8
107.04953	24.9
107.08606	45.5
109.02875	8.4
109.06526	27.3
109.10166	18.6
109.47260	2.8
111.04427	6.1
111.08089	12.3
115.05488	5.2
115.07582	22.4
117.07033	28.4
119.04983	3.4
119.08580	39.9
119.09375	3.8
121.06512	17.5
121.10143	24.9
123.08028	15.3
123.11748	3.3
125.05984	5.0
125.09644	10.2
127.03936	10.0
128.06183	3.6
129.06996	16.9
131.08574	34.0
132.36150	2.6
133.06508	6.4
133.10141	29.5
135.08087	19.8
135.11705	22.6
137.09593	5.4
141.06993	3.8
143.08601	14.8
145.06496	6.0
145.10129	33.7
147.08076	8.5
147.11670	6.4
149.09657	14.2
149.13271	5.1
151.11188	8.7
153.12686	3.7
155.08565	6.8
157.10167	11.7
159.08087	7.5
159.11699	12.4
161.09634	8.0
163.11177	30.7
169.10152	5.0
171.11647	3.8
173.04488	6.5
173.09625	6.8
175.11150	5.7
177.12759	7.7
177.89146	3.0
181.12268	7.3
183.11664	4.8
184.07359	9.7
185.09644	3.0
185.13216	2.9
187.11115	3.6
189.11142	4.6
191.10672	5.5
193.12233	10.8
195.13763	4.0
196.76541	2.7
199.14909	4.4
209.11716	7.5
211.13359	9.8
215.14407	3.3
217.15915	9.5
219.13829	2.6
221.15375	4.2
223.07024	2.6
227.12735	13.0
233.15407	7.1
245.18968	4.1
250.47484	2.8
253.14378	12.2
267.15921	8.2
269.17523	17.8
271.17075	4.6
273.18521	33.6
283.15378	78.7
285.17029	8.9
289.17969	10.2
291.19534	17.4
299.14908	4.1
307.18945	9.1
311.19937	2.7
333.22586	2.7
347.22180	11.8
365.23175	10.5
368.49133	3.5
463.27142	8.0
477.28448	40.7
505.28079	3.6
515.29675	5.5
555.33044	8.9
573.34070	25.5
591.35400	14.8
700.52521	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	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	27.3
55.05515	51.2
57.03443	22.3
57.07067	2.7
59.04990	3.4
61.02925	5.5
64.01880	2.3
65.03948	3.7
66.47280	2.3
67.05508	100.0
69.03420	12.5
69.07072	58.6
70.61921	6.4
71.01350	5.6
71.05009	10.8
72.64705	2.0
73.02909	4.4
77.93611	2.1
79.05016	2.6
79.05495	80.8
81.03428	30.2
81.07059	88.6
83.01344	12.8
83.04986	27.2
83.08620	27.9
85.02901	14.1
85.06526	7.5
86.09702	4.9
91.03952	2.9
91.05482	72.9
93.07047	78.3
95.04967	26.3
95.08607	54.1
95.09186	4.2
97.02907	11.2
97.06530	23.1
97.10166	14.7
99.04475	7.5
99.08105	4.4
102.10912	2.2
105.04563	3.5
105.07034	52.7
107.04959	28.8
107.08601	38.0
108.58197	2.5
109.02911	3.2
109.06518	13.1
109.10164	32.2
111.04436	6.2
111.08109	11.4
117.07020	27.3
119.04955	2.4
119.08592	40.9
121.06525	11.0
121.10154	24.2
123.04478	2.9
123.08083	23.8
123.11703	2.5
124.99982	2.5
125.09642	10.0
126.40299	2.4
127.03893	4.7
128.06186	2.5
129.05498	6.8
129.07039	8.2
131.08554	24.8
133.06509	3.3
133.10146	29.0
135.08049	9.9
135.11696	34.1
136.22519	2.5
137.09613	15.2
143.08577	7.9
145.06499	4.6
145.10121	35.0
147.08066	5.4
147.11682	10.2
149.09621	16.9
149.13289	3.2
150.10083	2.2
151.11191	7.2
153.09062	3.5
153.12744	6.0
155.08569	4.2
155.10699	2.3
157.08585	2.0
157.10155	6.0
159.11691	11.5
161.09589	3.5
161.13278	7.0
163.11194	38.4
165.09241	3.1
167.10669	2.6
171.11668	4.6
173.09627	6.6
173.11797	4.0
173.13257	5.2
175.11186	6.1
177.12761	3.6
179.14314	4.1
181.12234	6.8
184.07370	15.6
187.14845	2.3
189.11220	2.5
191.10696	4.3
193.12218	3.8
199.13481	2.9
209.11667	15.0
211.13240	3.2
218.38301	2.6
223.13251	5.3
227.12688	14.6
229.14334	5.8
247.20624	2.6
253.14278	6.2
255.15883	5.7
257.18982	7.6
258.71756	2.1
265.14188	2.7
267.15869	5.2
273.18430	7.1
275.20078	29.6
283.15414	87.6
284.15860	3.1
285.17145	5.2
291.19525	22.4
293.21130	4.8
301.16516	6.1
329.28769	2.3
349.23706	34.5
365.23251	8.5
379.21213	11.3
419.62909	2.5
437.25439	24.6
451.26834	9.6
461.29068	10.8
463.26831	9.6
477.28369	4.9
493.28247	4.0
530.43170	2.5
539.33112	3.1
557.34827	41.5
575.35474	5.5
591.35437	7.4
594.54340	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	787.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	24.7
55.05512	27.3
57.03439	15.6
57.07067	4.7
59.04995	4.6
61.02927	3.2
65.03932	5.2
67.05508	99.1
68.05845	6.6
69.03423	7.5
69.06737	3.1
69.07070	42.1
70.16586	9.5
71.04970	5.2
75.64455	2.6
77.03977	2.6
79.05494	69.2
80.05808	3.6
81.03431	15.7
81.06596	4.6
81.07059	76.1
82.07379	5.2
83.04967	8.1
83.08629	12.2
85.02898	6.4
86.09711	5.4
91.05489	84.8
92.05796	2.8
93.06493	4.6
93.07047	75.6
94.07355	3.7
94.27546	2.8
95.01314	8.4
95.04980	15.4
95.08611	53.4
97.02890	3.7
97.06538	36.8
97.10136	5.6
98.20787	3.4
99.08078	4.3
103.05447	4.2
105.04546	4.8
105.07035	100.0
106.07301	2.7
107.04340	3.0
107.04950	19.0
107.08601	33.3
109.06504	7.3
109.10151	32.6
110.10535	4.2
111.08078	6.4
117.07018	22.3
118.07379	2.5
119.08588	61.2
121.06495	8.6
121.10139	22.8
123.04416	2.9
123.08052	7.2
123.11717	3.3
125.00030	3.3
125.09654	5.6
128.06178	3.6
129.06998	11.3
131.08575	36.0
133.06479	2.6
133.10138	48.7
135.08049	5.1
135.11699	18.2
137.09592	4.0
139.07526	3.4
141.06944	4.1
143.08606	12.5
143.90794	2.5
145.06512	3.0
145.10126	25.4
147.11678	23.7
149.02379	3.0
149.09612	6.5
149.13249	8.5
155.08516	5.3
157.10139	7.0
159.08104	3.5
159.11699	24.0
161.09615	3.9
161.13258	15.9
163.11189	5.5
169.10133	5.6
171.11705	12.1
173.11745	7.2
173.13219	11.0
175.11252	2.8
175.14754	5.5
177.12776	5.9
179.14322	11.3
181.10187	3.8
183.11670	3.7
184.07324	10.9
185.13211	6.9
187.11104	5.2
187.14772	4.7
189.12738	3.6
195.11653	3.6
197.13223	6.1
199.14740	5.6
213.16443	2.9
223.13211	3.6
224.13594	3.0
227.12863	3.9
229.14345	23.0
230.14691	9.5
239.17984	4.4
241.19582	13.4
257.18982	6.4
259.20538	19.2
261.22101	5.1
273.18268	4.5
275.20047	61.3
279.15982	3.3
291.19678	2.7
293.21045	3.0
297.16910	10.0
298.17438	5.1
315.23178	8.2
333.24268	42.0
335.25732	25.6
336.26108	22.7
349.23779	28.8
350.24481	3.0
389.06979	2.7
489.35831	5.5
490.35904	11.9
530.44373	3.1
558.38739	4.3
607.34296	3.6
607.43561	49.2
625.44794	16.7
787.49060	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.7
55.05513	32.3
57.03437	14.3
57.07069	5.5
61.02932	14.3
65.03934	5.6
67.05508	100.0
68.05833	4.0
69.03442	21.4
69.07072	34.6
69.33292	7.4
69.33711	12.6
71.04992	8.9
73.02921	6.3
79.05495	51.8
81.03421	29.5
81.06589	5.1
81.07057	71.7
83.04977	8.8
83.08615	15.2
85.02910	16.1
85.06559	5.2
85.49978	2.4
86.09710	5.6
87.04459	2.0
91.03938	6.7
91.05485	56.6
93.07055	61.1
95.04989	13.3
95.08616	49.8
97.02911	17.2
97.06538	17.0
97.10178	8.9
99.08098	3.5
103.05437	3.2
105.07036	49.3
107.04958	10.1
107.08591	33.0
109.02870	4.4
109.06531	7.2
109.10157	35.5
110.10499	2.9
110.76422	2.1
111.04473	3.5
111.08082	6.0
115.05434	2.7
116.27341	2.2
117.07026	31.1
119.08586	43.4
121.06477	5.0
121.10150	22.5
123.08059	6.7
123.11703	8.0
125.00036	4.2
125.09644	10.4
127.03905	9.5
128.06233	6.7
129.06999	19.1
130.85393	2.2
131.08577	37.4
133.06482	5.5
133.10138	34.7
135.08086	7.3
135.11699	15.3
137.09622	3.8
139.07570	3.1
141.06984	10.2
142.07806	4.8
143.08562	26.2
145.06473	4.2
145.10129	30.8
147.08063	3.9
147.11708	19.9
148.03972	2.1
149.09641	7.0
149.13301	7.4
151.11191	2.9
155.07397	2.5
155.08496	13.1
157.10133	21.3
159.08046	3.4
159.11714	23.8
161.09596	5.1
161.13263	10.2
163.11186	4.2
165.07005	2.5
167.08514	5.6
169.10126	18.0
171.11673	22.5
173.04440	6.6
173.09653	3.0
173.11864	4.0
173.13278	17.3
175.11246	3.7
175.14856	4.0
179.08636	3.4
181.10143	10.6
183.11681	17.5
184.07350	18.5
185.13313	16.6
187.11192	4.1
187.14838	7.6
189.12845	3.2
189.16510	2.6
191.08463	2.6
193.10182	4.5
194.10963	2.4
195.11713	9.2
197.13219	12.3
199.14853	10.7
207.11771	3.4
209.13246	4.9
211.14827	6.7
211.69518	3.5
213.16356	3.0
215.17960	3.4
219.11693	2.8
221.13203	3.6
223.14912	2.6
225.16331	3.5
227.12727	6.9
229.14275	14.2
233.13158	2.6
237.16339	3.7
241.19551	3.4
251.18034	3.9
255.17551	3.9
257.19150	5.8
259.20569	8.9
261.22079	3.0
271.20557	2.9
273.18497	6.2
275.20108	12.1
283.20441	2.5
284.65656	2.5
291.19708	4.1
297.22156	2.4
333.24423	8.5
335.25867	6.6
336.25992	3.0
339.23190	2.8
349.23712	7.2
379.30008	3.0
421.30853	3.7
463.90027	2.3
489.34772	2.7
495.34540	3.0
513.35699	18.0
515.38147	7.9
527.37457	10.9
533.39972	7.9
551.40918	3.5
567.40271	3.4
597.45544	3.2
607.43616	48.7
608.43903	3.9
609.44714	3.0
625.44568	79.9
626.44824	6.2
678.46484	2.6
689.42444	3.4
733.46606	3.5
769.47876	5.4
787.49554	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.2
55.05272	3.3
55.05521	44.2
57.03445	17.6
57.07069	4.5
58.75213	2.2
59.04994	2.9
61.02925	12.3
65.03959	7.2
67.05513	79.8
68.05862	3.0
69.03430	20.7
69.07073	40.7
69.21647	16.9
69.22077	9.5
71.05003	9.8
73.02925	7.3
73.67260	2.9
79.05501	73.1
81.03424	40.9
81.07062	100.0
83.04992	17.3
83.08625	17.0
85.02889	16.4
85.06564	5.2
86.09722	8.4
91.03976	6.5
91.05487	63.5
93.07053	68.8
95.04966	17.0
95.08616	63.7
97.02916	22.1
97.06532	13.8
97.10192	9.5
99.04484	7.0
99.08105	4.6
101.02417	3.1
103.05464	4.0
105.04552	2.6
105.07039	68.0
107.04982	10.3
107.08597	47.1
109.02885	7.6
109.06514	11.4
109.10170	27.1
111.03000	2.6
111.04452	3.8
111.08093	9.9
115.05424	4.8
117.07039	33.1
118.98008	3.1
119.08596	43.7
121.06525	8.9
121.10159	28.1
123.08077	5.8
123.11730	6.7
125.09640	5.6
125.47762	2.9
127.03920	8.3
128.06224	9.4
129.05486	5.7
129.07036	27.0
131.08586	43.8
133.06496	3.2
133.10135	44.7
135.08049	9.4
135.11699	15.0
137.09641	3.8
139.11197	2.8
141.07033	10.8
142.07793	3.9
143.08583	25.3
144.09282	3.3
145.06476	4.0
145.10141	30.4
147.08080	5.9
147.11700	29.7
149.02362	11.1
149.09642	8.0
149.13268	10.5
154.07738	3.1
155.08586	16.3
157.10138	28.3
159.08090	3.6
159.11688	27.6
161.09676	5.5
161.13304	12.2
163.11162	6.4
165.07034	5.0
167.08582	10.0
168.09334	3.0
169.10141	20.2
171.08167	4.2
171.11679	24.0
173.04507	13.4
173.13283	20.8
175.11179	4.3
175.14832	5.9
179.08606	5.4
181.10121	10.4
183.11722	17.5
184.07375	20.6
185.09613	4.2
185.13255	12.6
187.11206	4.3
187.14821	9.8
193.04964	13.3
193.10207	6.0
194.05370	4.3
195.11726	10.2
197.13333	11.0
199.11261	4.1
199.14850	7.4
201.12662	4.4
201.16422	3.3
207.11707	7.5
209.13289	7.2
211.11395	2.9
211.14851	6.5
217.16048	3.7
219.11720	3.8
221.13251	4.9
223.14836	6.7
225.16446	4.9
229.14252	3.3
235.14923	3.5
237.16455	5.9
241.19574	4.2
243.21127	3.2
253.19739	4.5
255.17365	5.0
257.19128	5.7
259.20465	14.1
267.15903	4.3
271.20319	3.0
273.18536	6.0
275.20200	18.5
291.19678	3.2
295.20691	4.2
301.21875	4.5
333.24265	7.5
335.25705	6.7
341.24860	3.4
349.23926	8.6
360.20499	2.9
411.19629	3.1
509.36475	3.9
513.35657	17.8
515.37762	8.0
525.35669	3.8
527.37408	17.6
533.39288	5.2
543.36786	5.0
545.38287	4.1
551.40851	6.6
607.43671	41.9
610.25916	2.8
625.34802	5.1
625.44727	74.4
626.45020	5.1
671.41901	4.3
689.42487	9.2
769.49139	7.3
787.49158	10.4
802.55811	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	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	25.4
55.05518	41.7
57.03452	15.3
57.07087	5.1
60.08192	4.1
61.02925	8.4
63.66665	2.8
65.03944	6.7
65.76010	2.6
67.05514	96.8
69.03442	25.7
69.07082	41.0
69.89681	14.3
70.42980	3.1
71.04998	13.0
71.07364	3.0
73.02930	3.9
77.03937	3.3
79.05502	84.4
81.03429	64.7
81.07066	100.0
83.04984	16.0
83.08636	17.5
85.02909	15.0
85.06544	5.6
86.09681	6.3
91.03954	6.3
91.05488	83.2
93.06483	5.8
93.07054	79.5
95.04972	19.0
95.08619	63.1
97.02903	22.6
97.06543	27.9
97.10181	11.1
98.20873	3.7
99.04457	8.4
99.08092	3.3
103.05486	3.7
105.04573	3.4
105.07040	87.3
107.04971	13.5
107.08602	51.7
109.02894	8.7
109.06525	12.3
109.10168	27.8
110.79348	3.0
111.04424	3.6
111.08106	5.6
115.05446	5.0
115.23654	2.4
117.07031	32.9
119.08591	60.5
120.38493	2.4
121.06526	8.7
121.10158	35.9
123.08052	5.8
123.11732	10.6
125.00053	6.8
125.09690	7.5
127.03917	12.5
128.06229	6.9
129.05501	2.8
129.07002	24.5
130.07822	5.9
131.08582	42.7
133.06499	6.1
133.10138	52.2
135.08072	8.4
135.11700	19.6
137.09668	8.6
141.06993	7.8
142.07788	6.5
143.08609	23.2
145.06509	5.7
145.10139	31.1
147.04492	3.1
147.08006	4.4
147.11705	38.2
149.09625	7.9
149.13274	10.3
151.11238	8.0
155.08571	14.1
157.10168	19.5
159.11691	27.5
159.90886	2.8
161.09642	7.1
161.13304	15.1
163.11208	5.6
167.08597	10.1
169.08835	3.6
169.10187	11.9
171.11731	19.9
173.04480	20.8
173.09573	5.4
173.11969	4.2
173.13287	17.5
175.11205	5.1
175.14861	7.2
177.12767	8.8
179.14288	8.0
181.10156	9.0
183.11726	13.6
184.07364	30.0
185.13287	12.5
187.11255	4.1
187.14816	8.8
189.12738	3.2
193.10184	4.2
195.11742	8.8
197.13321	8.1
199.14870	7.5
206.11197	4.1
209.13365	5.0
211.14850	5.7
213.12759	3.9
213.16464	3.3
215.18051	4.5
225.12770	3.0
239.18002	4.0
241.19568	11.6
257.19098	7.6
259.20615	17.6
261.21991	4.9
263.20230	3.2
267.15936	5.7
269.17389	4.6
273.18524	8.1
275.20142	40.2
315.23218	3.3
325.21896	5.1
329.24637	4.4
333.24411	19.0
335.25876	10.2
349.23846	18.1
385.23502	3.3
509.35971	4.8
513.35620	9.4
515.38702	3.8
527.37476	15.3
533.39832	5.3
545.38226	5.2
607.43756	37.8
608.43671	4.0
625.44739	46.8
626.45331	3.4
635.40002	3.3
671.41510	5.6
681.04901	3.6
689.42377	8.4
715.44983	4.5
733.46777	3.9
769.48572	6.6
773.30499	3.5
787.49402	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
55.05513	16.6
57.03428	6.3
57.07053	2.4
60.08161	5.5
61.02917	1.5
67.05511	28.3
69.03429	9.1
69.07071	9.8
70.83055	1.5
71.04979	3.6
71.07367	3.4
71.49014	3.1
73.02938	2.3
79.05496	23.6
81.03419	10.4
81.07069	21.7
83.04976	5.0
83.08612	4.4
84.57050	1.7
85.02901	5.1
86.09704	31.9
91.05484	22.9
93.07043	20.2
95.04959	7.8
95.08608	15.8
97.02888	6.7
97.06521	2.8
97.10159	6.6
97.86532	1.9
98.98470	3.8
99.04426	2.5
104.10721	3.0
105.04531	2.5
105.07030	15.9
107.04958	6.0
107.08605	14.1
109.02901	2.8
109.06522	4.2
109.10145	7.8
111.08083	2.6
117.07012	8.9
119.08577	14.0
121.06502	2.3
121.10142	6.7
123.08062	3.1
123.11731	2.6
125.00011	25.2
125.09644	5.2
125.10554	1.8
127.03918	3.5
127.35036	1.5
129.06993	5.5
131.08517	8.8
133.06552	3.8
133.10138	7.9
135.08127	2.9
135.11682	4.5
143.08568	2.3
145.06432	2.5
145.10115	8.6
147.08052	3.5
147.11720	4.3
151.11195	1.9
157.10228	2.8
159.11703	4.7
161.09618	4.3
161.13234	2.9
163.11172	2.7
165.09178	2.3
169.16896	1.7
171.10210	2.2
171.11633	2.1
173.04602	2.1
173.13214	2.7
174.37914	1.6
177.16347	2.0
184.07352	100.0
185.07687	4.2
185.09409	1.8
185.13223	1.7
185.99992	2.6
189.11211	6.3
193.12277	2.9
213.51839	1.8
213.70895	2.0
223.13300	2.6
227.12718	9.5
245.18839	1.7
249.11002	4.7
261.22067	2.2
273.18475	12.4
275.20059	4.6
289.18030	2.5
291.19513	12.9
305.13568	1.8
323.14713	2.3
335.25726	10.8
347.22299	2.4
353.26550	2.6
369.24249	2.2
435.23953	2.1
561.37628	23.1
625.44305	10.5
769.49127	3.3
787.50745	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	786.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.1
55.05486	0.2
56.05039	0.9
57.07066	0.2
58.06618	0.6
59.07409	0.2
60.08165	6.5
65.68900	0.1
67.05502	0.3
70.06555	0.1
70.12045	0.5
71.07375	3.9
79.05504	0.2
81.03416	0.1
81.07056	0.4
86.09707	31.2
87.10030	0.2
91.05466	0.3
93.07042	0.2
94.01337	0.1
95.04982	0.2
95.08604	0.3
98.98470	3.8
100.97365	0.1
104.10754	3.6
105.07053	0.2
107.08567	0.2
116.83647	0.1
119.08556	0.1
125.00007	21.2
141.08015	0.1
143.01085	0.2
163.01537	0.1
166.02704	0.1
184.07343	100.0
185.07703	0.8
198.55484	0.1
211.13225	0.2
227.20137	0.1
234.04359	0.1
276.20145	0.1
351.42874	0.1
358.00720	0.1
441.95978	0.1
496.34152	0.4
498.10760	0.1
509.68872	0.1
523.39526	0.2
530.29071	0.2
768.51813	0.6
786.52740	6.3
787.52826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
58.06583	0.6
61.70644	0.3
64.46695	0.3
65.03931	1.2
66.45734	0.3
72.08134	1.0
79.05496	0.4
81.03398	0.3
84.08144	3.8
91.05486	9.8
93.07008	0.3
95.04963	0.6
95.08595	0.4
105.07027	0.5
110.09654	0.5
112.11250	11.3
117.06977	0.5
118.06490	0.3
119.04945	18.5
129.13882	6.9
133.06485	0.3
134.90506	0.3
144.08058	0.5
147.04413	100.0
148.04727	1.5
150.35559	0.3
155.11809	1.5
160.07603	0.4
166.78404	0.3
167.07133	0.5
201.69536	0.3
203.11806	6.1
204.10207	71.6
205.10538	1.1
207.99498	0.3
217.05070	0.7
218.11826	1.3
243.53987	0.3
251.15446	0.4
275.17542	22.6
276.17795	0.4
285.50583	0.3
329.13858	0.4
349.25970	1.1
353.18509	0.4
375.24112	0.4
389.21515	0.3
421.21136	0.8
461.18451	0.3
477.28653	1.5
478.27127	2.7
484.64920	0.3
495.29926	3.5
521.27393	0.5
623.32294	11.6
624.31226	1.6
641.33350	65.7
642.33661	4.9
750.59558	0.3
787.36731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
56.05035	1.0
57.07066	0.1
58.06618	0.4
59.07373	0.1
60.08163	7.1
67.05493	0.2
70.06602	0.2
70.68048	0.1
70.68362	0.2
70.79559	0.1
71.07372	4.1
71.08640	0.1
77.83581	0.1
78.65822	0.1
79.05471	0.2
81.07035	0.1
82.64587	0.1
85.10173	0.1
86.09705	32.9
87.10036	0.2
90.69877	0.1
93.07049	0.1
95.08598	0.1
98.98463	4.3
104.10741	3.2
104.11428	0.2
109.10185	0.2
120.18870	0.1
125.00003	23.2
126.00375	0.1
143.01091	0.2
143.78506	0.1
163.01544	0.1
184.07338	100.0
185.07678	1.0
196.78329	0.1
279.17932	0.1
283.57925	0.1
496.34021	0.2
525.41589	0.1
603.46777	0.1
768.51959	0.3
786.52765	6.2
787.52826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05037	1.2
57.07063	0.4
58.06329	0.2
58.06625	0.6
58.53187	0.1
60.08165	7.6
67.05506	0.5
69.07066	0.2
70.06591	0.2
70.10416	0.2
70.10830	0.3
71.07375	5.1
71.08635	0.1
72.93587	0.1
77.57531	0.1
79.05471	0.2
80.10192	0.1
81.07043	0.3
85.10208	0.2
86.09707	38.5
87.10014	0.2
91.05491	0.1
93.07056	0.2
94.24026	0.1
95.08607	0.2
98.20837	0.1
98.98469	5.1
101.75578	0.1
104.10744	3.4
107.08663	0.2
109.10165	0.4
124.06553	0.1
125.00007	25.9
129.07001	0.1
131.08603	0.1
143.01071	0.2
143.72339	0.1
157.10187	0.1
166.02690	0.2
178.74640	0.1
184.07343	100.0
185.07712	0.8
291.19684	0.2
313.27347	0.1
341.79922	0.1
359.21158	0.1
467.37378	0.3
496.33795	0.1
768.51422	0.3
786.52722	4.9
787.52747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.7
55.05272	1.3
55.05516	16.8
57.03196	1.4
57.03446	17.6
57.07070	4.1
58.61919	1.0
59.04996	4.1
61.02917	3.0
65.03937	4.4
66.86164	1.1
67.05508	100.0
68.05830	1.2
69.03419	3.1
69.07066	15.4
69.18326	5.3
69.18751	4.8
71.04994	4.4
72.15283	1.0
73.02905	1.1
79.05495	40.1
80.05817	1.2
81.03424	13.0
81.07057	61.7
83.04972	4.9
83.08620	10.8
85.02899	8.0
85.06535	4.6
86.09703	7.1
86.21422	1.0
87.04490	1.4
91.05484	32.2
92.05781	1.2
93.07046	46.9
93.07639	2.3
95.04982	10.1
95.08002	2.1
95.08611	39.5
97.02901	3.9
97.06547	5.5
97.10184	4.2
98.21532	2.1
98.98519	1.3
99.08112	1.8
103.05441	1.4
105.04585	1.6
105.07038	18.8
107.04971	10.9
107.08600	23.5
109.06518	7.3
109.10162	56.9
111.04451	2.5
111.08072	4.8
117.07026	10.1
119.08582	16.5
121.06505	7.3
121.10149	15.8
122.10519	1.0
123.08068	3.1
123.11693	4.7
124.99998	3.4
125.09664	3.3
128.06244	2.3
129.07018	3.0
131.08571	16.3
133.06483	1.4
133.10144	11.3
135.08080	1.7
135.11696	10.0
137.09642	3.5
141.07021	2.0
143.08594	3.6
145.06430	1.3
145.10129	12.4
147.11632	7.1
149.13249	7.3
155.10623	5.3
157.10132	3.5
159.08165	1.0
159.11716	10.9
161.09602	2.1
161.13260	5.0
163.11224	1.8
163.14784	2.6
164.38019	1.0
169.10107	2.9
171.11647	2.9
173.11751	14.7
173.13257	5.1
175.11314	1.0
175.14885	1.4
177.12735	2.3
178.12297	1.7
179.10689	1.5
183.11676	1.1
184.07350	16.6
185.13167	1.7
187.11194	2.6
187.14777	2.5
193.85631	1.0
205.12308	2.8
207.13873	1.5
223.13283	9.2
227.12798	4.7
229.14360	63.1
243.21066	4.8
261.22186	18.4
275.20020	1.7
279.15887	2.3
297.16986	22.1
313.27579	1.5
317.24869	3.4
335.25818	79.7
336.26053	3.6
404.22351	1.1
429.19547	1.1
465.33643	2.2
489.35803	38.8
490.35632	1.5
523.39789	1.2
539.37140	3.3
544.19977	1.4
557.38330	12.8
575.39343	2.9
603.42267	1.4
627.46265	2.2
635.45660	1.1
645.46649	1.2
757.96045	1.2
786.48907	1.6
797.93896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	13.6
55.05520	31.3
56.66006	1.7
57.03437	12.4
57.07086	2.3
59.04977	3.0
61.02926	2.2
65.03925	6.6
66.89489	2.0
67.05506	100.0
68.67367	1.9
69.03421	8.5
69.07070	42.9
71.04987	5.5
79.05498	88.4
81.03428	17.9
81.06595	3.6
81.07060	65.6
83.04989	16.4
83.08620	11.3
85.02893	4.3
85.06512	4.5
86.09688	6.1
91.05481	90.3
93.07051	85.6
95.04961	24.9
95.08614	51.7
96.08961	2.1
97.02876	5.8
97.06532	18.1
97.10158	7.5
99.04467	1.9
99.08088	3.2
100.36400	2.3
103.05444	2.3
105.04498	3.9
105.07037	60.5
107.04964	15.7
107.08605	30.5
109.02878	2.6
109.06564	9.5
109.07184	1.9
109.10159	33.3
111.04418	3.1
111.08083	8.6
115.05488	2.8
117.07014	19.0
119.08582	45.4
120.05685	2.5
121.06500	6.7
121.10163	12.5
123.04433	2.2
123.08062	5.8
123.11698	2.1
125.00003	5.3
125.09606	4.9
127.07514	2.6
128.06203	3.7
129.07002	18.5
131.08562	18.5
133.06496	2.2
133.10147	26.8
135.08028	6.3
135.11713	11.5
137.09630	12.9
139.07486	2.2
140.85701	2.2
141.06982	2.8
143.08597	9.7
145.10129	22.0
147.08054	4.1
147.11688	39.1
149.09628	19.4
149.13277	5.4
151.11288	2.2
157.10147	4.9
159.11653	7.6
161.09637	4.5
161.13263	15.9
163.11160	14.3
169.10135	4.2
171.11716	24.5
173.11711	5.2
173.13184	3.9
177.12732	2.9
179.14355	4.3
184.07350	23.0
185.13312	2.7
187.11200	2.5
189.11240	2.2
189.12704	9.7
195.13879	2.1
197.13336	2.2
207.13814	24.8
223.13170	2.9
227.12715	5.7
229.14421	9.6
257.19006	8.6
269.14499	2.4
273.18378	2.2
275.20062	32.5
279.15930	3.2
281.17456	44.1
283.15390	7.5
291.19485	6.3
293.21039	3.5
349.23737	24.8
355.17010	2.0
365.23468	2.8
377.23038	2.6
386.76791	1.7
435.27432	27.6
459.30963	4.1
477.28375	4.9
537.35913	2.9
555.36841	40.5
557.34473	5.8
573.39099	2.9
589.37030	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.4
55.05511	51.9
57.03440	15.5
57.07060	4.3
59.04986	2.5
61.02937	12.2
65.03942	5.1
67.05506	75.3
69.03433	14.9
69.07069	27.3
69.90248	10.2
71.04983	7.9
73.02909	5.7
79.05494	65.6
81.03416	18.2
81.07057	65.6
83.04994	10.3
83.08612	19.3
85.02898	13.1
85.06541	3.5
86.09689	2.9
91.03944	5.5
91.05475	51.1
93.06481	3.7
93.07046	47.3
95.04976	11.9
95.08605	40.8
97.02903	16.2
97.06520	6.1
97.10178	31.5
99.04456	3.4
99.08102	2.7
103.05427	2.6
105.07026	44.3
107.04955	9.0
107.08589	35.6
109.02860	4.1
109.06515	7.4
109.10152	24.3
111.04453	3.4
111.08075	4.7
115.05431	5.0
117.07013	25.5
119.04927	2.2
119.08590	30.9
121.06499	3.3
121.10154	15.3
123.08064	8.1
123.11707	3.3
125.00017	3.1
125.09640	27.6
127.03886	3.3
128.06197	8.9
129.07013	24.4
130.07794	2.9
131.08569	30.8
133.06467	3.5
133.10126	20.8
135.08064	8.9
135.11662	8.7
137.09586	2.7
137.13181	2.1
141.06981	14.6
142.07753	6.4
143.08568	24.4
145.06502	5.8
145.10133	24.2
147.08102	4.4
147.11662	11.2
149.09615	5.9
149.13283	3.6
151.11154	2.3
153.06998	6.2
153.09116	5.3
154.07770	5.6
155.08548	20.5
157.10129	26.4
159.08054	6.5
159.11691	17.3
161.09634	6.9
161.13271	4.5
163.11197	3.3
165.06998	5.7
167.08560	12.3
168.09402	3.9
169.10129	20.7
170.10860	2.7
171.08055	3.3
171.11682	19.2
173.09628	2.3
173.11763	4.4
173.13222	4.4
175.11163	3.4
175.14827	2.3
177.12772	3.1
179.08568	6.8
180.09276	2.6
181.10114	16.5
182.11092	2.3
183.08076	4.0
183.11711	22.5
184.07385	13.4
185.09618	4.2
185.13260	12.5
187.11092	2.2
187.14868	5.2
188.59901	2.0
189.11322	11.8
189.12842	3.2
191.08559	3.7
192.09360	3.1
193.10080	6.9
193.12167	2.7
194.10747	2.0
195.11719	11.9
197.09685	3.7
197.13232	16.3
199.11163	5.0
199.13071	2.4
199.14819	6.2
201.16336	3.7
205.10167	3.1
206.10951	3.4
207.11655	6.8
209.13313	9.7
211.11272	4.2
211.14957	9.1
213.16376	4.5
215.14325	2.7
219.11769	3.9
220.12480	4.2
221.13225	6.7
223.11253	2.5
223.13051	2.5
223.14931	4.5
225.12743	2.5
225.16437	7.3
227.12680	16.2
227.18036	3.9
231.11739	2.2
233.13245	3.2
235.14806	4.0
237.12741	3.1
237.16386	5.5
239.17949	6.6
243.11685	2.1
249.16501	2.6
253.15787	2.0
253.19511	3.4
257.18991	4.1
259.14908	2.0
259.20569	6.2
263.17953	3.0
265.15833	2.6
271.20380	2.1
273.18716	4.2
275.20032	6.7
291.19461	10.7
293.18753	2.1
295.20383	3.0
309.21887	2.1
325.21851	2.4
335.25906	3.4
351.23001	2.2
377.28391	2.6
379.29883	8.0
385.23709	2.9
407.29321	2.1
513.36829	6.8
515.33350	2.2
529.35315	2.7
531.38092	8.3
541.35010	2.3
549.39154	6.1
553.35388	3.9
554.35846	2.9
605.41962	28.4
606.42120	2.5
623.43042	100.0
624.42859	6.0
626.45068	2.8
644.46210	2.8
731.44592	4.4
767.46600	6.8
785.48450	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.05039	1.0
67.05502	1.4
69.07069	1.3
71.08634	1.3
79.05482	1.1
81.06640	0.3
81.07049	2.0
83.04964	0.6
83.08607	0.4
86.09710	100.0
87.10038	1.0
91.05494	1.6
93.07037	1.8
95.04945	0.4
95.08602	0.9
97.99127	0.3
98.09705	1.3
103.05484	1.5
105.07029	2.7
107.08585	0.7
109.10150	0.8
112.11250	6.6
115.27871	0.3
117.07020	0.7
119.08569	0.6
120.08114	43.2
121.08405	0.4
131.08543	0.5
132.08110	0.6
133.10144	1.1
145.10138	0.6
146.09674	2.4
154.15915	19.8
155.16136	0.4
157.13370	10.9
159.11678	0.4
175.78992	0.3
182.15451	0.4
184.07339	1.0
185.12862	13.1
186.13170	0.4
188.14351	6.6
191.11833	0.9
199.18073	17.0
209.16556	0.7
219.11302	1.0
225.19646	6.1
227.17548	13.9
233.16493	16.7
243.14993	0.8
253.14613	0.8
253.19122	7.3
254.19276	0.4
255.17201	0.4
259.18082	2.6
261.15976	13.7
267.24341	8.0
267.26871	0.2
280.20273	0.6
287.17545	3.5
295.23764	4.2
298.17865	0.4
298.21274	9.0
301.22733	7.6
302.23270	0.4
311.21249	0.5
326.20871	0.3
329.22223	4.3
332.19711	4.7
340.25974	3.7
360.18756	0.4
363.07739	0.4
366.27484	2.4
374.24387	4.5
381.31454	0.3
383.30341	1.5
400.26031	2.5
408.32190	0.8
411.29584	5.1
417.28604	0.9
442.30988	1.7
445.28177	4.8
453.34335	1.3
459.33182	1.5
468.29105	0.3
479.36020	2.0
485.35156	0.5
487.32645	2.3
496.38342	1.6
513.34473	4.7
524.38104	4.1
527.39270	0.5
530.36841	2.7
555.39423	1.9
558.36499	10.9
559.36493	0.5
568.34894	0.6
572.41254	0.6
586.35553	0.5
587.35352	0.5
590.27783	0.3
592.44031	1.5
598.42676	0.6
600.41028	1.8
609.46881	0.7
626.42810	7.2
637.46625	2.0
643.45483	4.9
653.43799	0.7
668.47168	0.9
671.44922	14.7
672.44556	0.9
699.43854	0.5
739.51263	3.2
745.39960	0.5
756.53778	5.8
757.54327	0.4
766.52344	1.9
784.53436	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	784.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05026	0.7
57.03455	0.3
57.04031	0.2
57.07065	0.6
58.06618	0.7
60.08167	7.1
67.05502	0.8
69.03449	0.2
69.07074	0.4
71.07376	4.2
71.08628	0.6
79.05488	0.4
81.03423	0.5
81.07056	0.9
83.04996	0.3
83.08627	0.5
85.10181	0.2
86.09710	33.2
87.10027	0.3
91.05486	0.4
93.07040	0.5
95.04954	0.3
95.08590	0.8
97.10167	0.2
98.98472	4.2
104.10753	2.8
105.07025	0.3
107.08633	0.2
109.10168	0.4
117.06947	0.2
119.08628	0.3
123.08076	0.2
125.00014	21.6
126.45179	0.1
133.10109	0.2
143.01089	0.2
145.10153	0.3
147.11653	0.2
163.11250	0.2
184.07349	100.0
185.07732	1.0
193.12209	0.2
211.13303	0.4
229.45160	0.2
242.96788	0.2
267.15884	0.2
283.15500	0.8
284.15805	0.4
285.16788	0.5
313.27368	1.3
314.27716	0.3
383.88797	0.2
452.85559	0.2
496.34418	0.2
505.39014	0.2
521.38593	0.2
522.38904	0.3
523.39917	1.1
550.96448	0.2
650.07629	0.2
784.51312	5.6
785.51660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.0
55.05273	1.0
55.05512	15.0
57.03196	1.2
57.03440	12.7
57.07077	27.8
59.21463	0.9
60.08160	1.1
61.21629	0.9
65.03926	1.7
67.05507	25.8
69.03424	3.4
69.07065	11.2
71.04978	3.7
71.08634	21.9
73.02916	2.0
79.05086	1.6
79.05499	19.2
81.03419	50.7
81.07058	30.4
83.04989	13.8
83.08157	1.6
83.08622	25.3
85.02444	1.3
85.02909	16.2
85.06552	1.8
85.10183	11.1
86.09695	4.4
91.05483	26.1
91.14227	0.9
91.60904	0.8
93.07045	15.0
95.04970	18.3
95.07998	0.9
95.08607	18.5
97.02885	3.3
97.06530	2.6
97.10159	6.3
98.98466	1.1
99.04501	0.8
103.07531	0.9
105.07031	16.9
107.04974	6.2
107.08592	4.3
109.02862	3.1
109.06506	3.3
109.10162	9.5
110.03664	1.3
111.04448	3.1
111.08076	7.6
115.05437	1.5
117.07037	1.9
119.04899	1.1
119.07812	1.2
119.08593	13.0
121.06520	1.4
121.10170	6.3
123.08057	1.9
123.11678	3.8
124.99992	3.5
129.06990	6.4
131.08563	9.1
133.06508	2.4
133.10136	9.3
135.11691	0.9
137.09621	1.2
137.13223	0.9
142.07800	1.4
144.19492	1.0
145.10080	2.9
146.09628	2.9
146.10686	0.9
147.08028	2.5
147.11691	13.1
149.09636	4.3
157.10123	11.1
163.11195	1.4
165.12755	2.4
175.11198	11.9
178.12271	2.4
184.07347	15.5
191.00117	1.8
193.12247	35.9
211.13289	67.7
212.13617	2.2
239.23730	4.7
249.14848	0.9
257.24753	2.3
267.15933	28.2
268.16168	1.1
276.09982	7.5
283.15314	2.7
285.16968	55.6
286.17310	1.9
304.18497	0.9
313.27377	74.7
314.27719	3.4
363.46344	1.0
447.16455	0.9
465.24899	1.2
493.17184	2.4
505.38889	21.4
506.39319	1.2
511.18213	5.7
521.38348	1.0
523.39948	100.0
524.40198	5.0
533.51965	0.9
539.28955	5.2
638.56635	0.9
678.31128	0.9
749.40930	1.1
784.49219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.9
55.05517	12.7
56.12598	1.1
57.03440	7.4
58.60672	0.8
59.05019	1.5
65.03943	1.4
65.59316	0.8
67.05504	24.3
69.03434	25.7
69.07074	6.0
70.15475	3.7
71.01342	2.3
71.05007	8.1
72.28220	0.9
73.02915	2.3
79.05496	23.3
81.03423	100.0
81.07063	22.2
81.96817	1.0
82.03742	1.2
83.04987	18.9
83.08626	15.4
85.02905	16.2
85.06554	1.9
91.05486	30.6
93.07053	14.7
95.04975	21.8
95.08609	7.0
97.02895	26.0
97.06509	5.0
97.10158	4.4
99.04469	9.3
101.02377	1.4
103.05457	1.2
105.07042	19.3
107.04980	7.3
107.08596	7.2
109.02887	19.5
109.06527	5.7
109.10155	3.4
111.04448	11.6
111.08078	6.6
113.06017	1.6
115.05451	2.3
117.07026	5.3
119.08584	13.7
121.06503	4.0
121.10148	7.2
123.04411	2.2
123.08080	2.7
123.11707	2.7
125.05953	1.3
125.09638	4.4
127.03928	17.0
128.06219	1.9
129.05467	3.3
129.07016	8.6
131.04884	2.3
131.08563	9.6
133.06488	3.3
133.10136	8.5
135.04437	1.5
135.08054	1.4
135.11670	1.1
137.05940	1.7
137.13307	1.3
139.03961	1.2
142.07773	2.0
143.08543	2.3
145.06488	2.1
145.10114	3.8
147.04373	2.5
147.08058	2.9
147.11702	14.0
149.05989	1.7
149.09648	4.0
151.11191	1.4
153.07040	1.3
153.12743	2.9
155.08574	1.5
157.06454	1.1
157.10127	9.6
159.08073	1.5
159.11734	1.0
161.05966	2.3
163.03947	1.5
163.11224	4.9
165.12750	3.4
167.08560	1.0
171.11748	1.7
173.04466	11.0
173.05997	2.7
173.09651	1.7
175.07683	1.2
175.11197	10.2
177.12799	1.5
181.06450	1.3
181.12265	3.1
181.41800	0.9
181.80049	1.0
183.06549	1.1
191.10669	3.0
193.12257	31.6
195.08015	1.1
196.66586	1.0
199.11005	1.0
205.12184	1.4
209.11681	1.3
211.13309	49.9
212.13455	1.0
217.04941	1.1
219.29167	1.1
225.05556	1.2
227.07019	1.3
227.12791	4.9
229.14383	3.5
240.96709	1.1
249.14862	3.3
253.07094	3.1
255.13795	1.7
267.15897	11.9
271.08035	1.6
273.14804	2.4
283.15549	1.3
285.17050	8.2
291.16028	1.1
301.14249	4.7
301.29291	1.0
311.12741	1.2
319.15472	2.5
333.17081	1.1
337.16458	2.2
343.15213	1.7
355.17783	6.5
375.18051	2.0
393.19199	2.4
411.20316	7.1
429.20923	3.8
459.27426	3.4
477.28214	3.9
495.29501	5.8
499.20795	1.4
537.23236	1.8
585.30353	1.8
603.30798	1.9
621.32312	6.9
639.33551	4.5
747.34668	1.6
765.36395	3.1
783.37958	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	782.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
55.05274	0.6
55.05518	7.4
56.05022	0.8
57.03189	0.6
57.03442	5.5
57.06802	0.7
57.07084	12.8
58.06608	0.7
59.04990	1.1
60.08171	6.4
65.03927	0.6
67.05192	0.5
67.05515	7.7
69.03417	0.9
69.07078	5.9
71.01348	0.6
71.04986	1.2
71.07376	3.5
71.08640	9.8
73.02909	1.3
79.05065	0.5
79.05502	6.6
81.03432	4.6
81.06589	0.6
81.07064	10.3
83.01356	3.4
83.04988	4.3
83.08157	0.5
83.08626	7.5
84.08158	0.4
85.02903	2.0
85.10197	5.5
86.09716	29.7
86.12309	0.3
87.10039	1.3
89.06027	0.6
91.05495	5.1
93.07050	7.8
95.04953	1.8
95.08623	8.8
97.02909	0.9
97.06526	1.3
97.10184	3.0
98.98479	4.1
99.04482	2.1
99.11709	0.5
103.05463	0.8
104.10763	1.9
105.07043	3.2
107.04957	2.5
107.08609	4.4
109.02864	1.7
109.06519	2.3
109.10179	4.5
110.03641	0.5
111.04478	1.9
111.08083	0.8
111.11704	0.6
113.06006	0.4
117.07037	2.2
119.08611	2.5
121.06518	1.4
121.10149	3.1
123.04483	0.3
123.08089	3.5
123.11691	1.2
125.00024	20.2
125.06012	0.7
125.09632	0.5
125.13297	0.5
126.00359	0.4
127.03902	1.0
129.07002	0.7
130.07788	0.4
131.04930	1.0
131.08592	0.7
133.10092	0.6
135.04422	0.4
135.08047	1.0
135.11713	4.5
137.05978	0.5
137.09587	0.4
137.13293	0.8
143.08562	0.5
145.06383	0.5
145.10138	4.9
147.08057	0.7
147.11702	0.4
149.09607	0.4
153.12709	0.6
155.08571	0.4
163.11208	8.7
163.12560	0.6
173.09668	1.3
178.07751	0.4
178.12202	0.4
181.12253	1.1
184.07362	100.0
185.07745	3.4
186.07848	1.0
187.03912	4.1
188.04303	1.8
191.00089	0.7
191.10651	0.9
193.10048	0.7
203.08669	0.5
207.08017	0.4
209.09764	0.7
209.11678	3.5
221.09621	0.4
222.09952	0.5
223.07460	0.5
227.12779	2.2
231.08159	0.5
233.09496	0.7
234.09947	0.7
237.09065	0.4
239.07051	2.2
239.10825	0.5
239.23766	1.5
240.07613	0.7
241.08530	0.7
242.09113	0.4
249.09184	0.8
251.10693	0.4
253.08653	1.0
254.09091	0.4
257.24887	0.9
261.09149	0.7
262.09491	0.5
265.08710	0.5
266.09317	0.4
267.06586	0.5
267.10052	0.7
268.07239	0.7
268.10425	0.4
269.08124	0.9
276.10205	0.7
277.08612	1.5
278.09018	1.8
279.10092	0.9
280.10648	0.4
283.15430	48.3
284.15817	1.1
292.10849	0.5
293.08054	0.4
295.09583	1.5
296.10007	1.1
305.08014	0.7
306.08389	0.4
311.09161	11.5
312.09497	7.5
313.27383	36.5
314.27716	1.4
323.09192	4.5
324.09464	2.0
331.28156	0.4
465.24774	0.6
509.17096	2.0
521.38446	22.0
522.38574	1.1
539.28937	2.0
554.37482	0.6
562.39471	1.3
572.38043	1.1
589.38751	1.6
590.30780	0.7
590.39368	8.5
652.22113	0.4
782.57220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.9
58.06631	0.5
59.07399	0.1
60.08166	6.6
60.36255	0.1
69.28722	0.9
69.29382	0.1
71.07377	4.0
79.05478	0.2
81.07041	0.3
86.09708	32.2
87.10029	0.3
93.07047	0.1
95.08618	0.2
98.98471	4.1
104.10741	2.0
115.14941	0.1
125.00008	22.6
143.01080	0.1
166.02655	0.1
166.06305	0.1
184.07344	100.0
185.07643	0.7
259.26288	0.1
394.90576	0.1
518.32623	0.2
780.55371	2.3
781.55267	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	780.552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
56.05038	0.8
57.03437	0.6
57.07083	1.7
58.06628	0.5
60.08165	6.3
63.98491	0.2
67.05504	1.7
69.07075	0.5
71.07372	4.2
71.08620	1.3
71.50311	0.2
75.70371	0.2
79.05509	1.2
81.03418	2.8
81.07058	1.9
83.04993	0.3
83.08622	0.9
85.10188	0.5
86.09708	32.6
87.10024	0.3
91.05479	0.9
93.07063	0.9
95.04974	1.1
95.08611	1.3
97.06532	0.2
97.10152	0.3
98.98465	4.3
104.10742	2.4
105.07024	0.7
107.04942	0.3
107.08585	0.6
109.10145	0.7
111.04443	0.2
111.08071	0.3
119.08576	0.6
121.10150	0.3
125.00008	21.7
129.06978	0.3
131.08609	0.4
133.10144	0.5
143.01088	0.3
145.10162	0.3
146.09601	0.4
147.11707	0.5
149.09570	0.2
157.10094	0.4
171.11800	0.3
175.11176	0.3
178.12257	0.3
184.07344	100.0
185.07710	1.0
193.12268	0.9
207.13834	0.3
239.48721	0.2
267.15933	4.2
276.09903	0.5
281.17413	0.3
285.76288	0.2
313.27344	0.3
315.24686	0.2
341.30530	3.3
374.30637	0.2
416.00131	0.2
471.10120	0.2
519.40356	0.7
520.40875	1.0
533.42010	3.3
534.42889	0.3
583.44855	0.2
707.63428	0.2
780.55475	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	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05506	1.0
57.03439	2.6
59.05005	1.2
61.02935	5.3
62.82768	0.4
67.05515	4.4
69.03435	3.6
69.07071	1.0
69.18571	3.8
71.04987	1.0
72.21873	0.4
73.02922	2.9
79.05504	3.8
79.57525	0.4
81.03433	2.7
81.07061	4.1
81.51615	0.4
83.08628	1.0
85.02914	5.7
85.06541	0.5
86.09718	1.8
87.04498	0.7
91.03976	2.2
91.05490	2.9
93.07054	3.4
95.04964	1.2
95.08612	3.9
97.02917	4.3
97.06545	0.6
99.04459	0.9
101.02400	1.9
103.03898	0.5
105.07059	1.3
107.08601	2.0
109.02904	1.2
109.10155	1.1
111.08006	0.5
117.07028	0.5
119.08586	1.1
120.46990	0.4
121.10135	2.5
125.00036	0.7
127.03937	1.4
129.07054	0.7
131.08621	1.0
133.10197	1.2
135.11717	0.8
147.11816	0.5
149.09659	0.5
159.11751	0.4
179.54662	0.4
184.07333	4.5
185.04204	0.8
185.07677	0.6
193.12311	0.9
193.20007	0.4
211.08122	0.4
218.65388	0.4
225.14836	0.6
243.08391	2.1
275.35822	0.4
283.15115	3.6
333.50479	0.4
335.03683	0.4
335.26010	0.5
339.17801	1.0
397.26334	0.5
501.23047	6.2
519.29382	6.3
779.45557	100.0
780.45862	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	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.3
57.03436	1.8
61.02928	4.0
66.54089	0.4
66.74459	0.4
67.05499	3.4
69.03434	3.0
69.07075	1.5
71.04999	0.9
72.68816	0.5
73.02915	2.7
79.05499	3.3
79.44333	0.4
81.03420	4.6
81.07057	3.8
83.04992	1.1
83.08627	1.1
85.02906	6.1
86.09702	3.3
87.04475	0.6
91.03969	2.6
91.05479	4.0
93.07050	2.8
95.04996	1.1
95.08638	1.4
97.02896	3.7
98.21456	1.3
98.98510	0.5
99.04470	0.9
101.02405	1.7
105.07048	2.6
107.08625	1.2
109.06535	0.9
109.10200	0.7
110.86996	0.5
115.03983	0.5
117.07031	0.6
119.08625	1.7
121.10191	0.8
125.00031	2.0
129.07030	0.6
131.08618	1.3
133.10159	1.2
147.11766	1.3
157.10121	0.8
175.11389	0.7
184.07355	10.3
185.04167	0.6
185.07710	1.1
193.12218	0.9
211.13341	0.7
243.08492	3.0
251.12579	0.8
275.93097	0.5
333.20416	2.1
427.51511	0.6
469.20444	9.4
469.30927	0.7
551.28040	2.8
779.41846	100.0
780.42188	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44959	0.4
55.01856	0.8
55.05509	1.9
57.03436	1.7
60.08156	0.6
61.02930	3.5
67.05508	4.5
69.03435	3.8
69.07072	1.4
71.01363	0.7
71.04994	1.0
71.49500	0.8
73.02924	2.8
79.05498	3.9
81.03431	4.9
81.07061	4.5
83.05003	0.8
83.08613	1.1
85.02903	6.4
86.09705	2.6
87.04462	0.5
91.03967	2.6
91.05483	3.8
93.07045	3.7
95.04950	2.0
95.08627	1.7
97.02897	4.4
97.06552	0.6
99.04471	1.1
101.02356	2.7
105.07037	2.8
107.04944	0.8
107.08614	1.8
109.02898	1.1
109.06567	0.7
109.10165	0.8
111.08096	0.7
117.07029	0.9
119.08582	1.8
121.10175	1.1
123.08079	0.7
125.00004	2.5
127.03954	0.9
129.07018	1.6
131.08594	1.2
133.10150	1.3
135.11751	0.5
145.10144	0.7
147.11723	1.4
149.09642	0.7
157.10159	0.8
175.11261	1.1
178.66202	0.4
184.07339	8.1
185.04263	0.6
185.07687	0.9
193.12314	1.3
211.13261	0.9
221.11375	0.4
228.20915	0.4
243.08337	2.4
251.12529	0.8
259.08099	0.4
333.20471	1.8
439.19565	0.6
453.21048	1.3
469.20435	10.3
499.01797	0.4
522.60999	0.4
551.28448	3.8
681.34564	0.8
775.51318	0.4
779.41864	100.0
780.42285	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	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.05513	2.8
57.03441	2.7
61.02927	7.2
67.05504	3.6
69.03443	4.3
69.07069	1.4
69.63917	0.9
70.66666	2.5
71.04990	0.9
71.57411	0.9
73.02917	3.8
79.05493	5.5
81.03419	3.1
81.07056	4.7
83.05017	1.3
83.08664	1.4
85.02913	7.8
86.09700	2.5
91.03969	5.2
91.05495	4.9
93.07049	3.9
95.04984	2.2
95.08609	2.1
97.02901	4.4
97.06560	1.0
101.02402	1.7
105.07047	3.6
107.08612	3.4
117.07047	1.1
119.08588	3.2
121.10188	1.2
124.99991	1.3
127.03973	2.0
129.05524	1.4
133.10172	2.2
135.11565	1.0
142.88702	0.9
143.68135	1.0
145.05037	1.1
145.10155	1.2
147.11719	1.5
157.10083	0.9
171.06537	1.0
184.07356	9.0
185.04205	5.5
201.03780	2.3
203.05322	1.2
243.08449	5.6
259.08005	1.4
263.41699	1.2
301.08957	15.0
313.09036	1.9
315.10617	2.7
317.21036	2.0
327.10468	1.5
343.14050	1.3
355.13669	1.1
357.15039	1.6
357.24133	1.8
363.18491	1.2
369.15363	1.6
373.11292	4.1
385.18420	8.5
387.28888	1.0
429.17465	2.6
455.19077	1.4
457.20395	1.5
461.25531	1.1
465.20850	5.0
467.19174	2.5
469.20367	7.9
495.22339	3.0
499.34045	3.1
513.27277	1.8
525.23059	16.7
535.28674	12.2
551.28851	1.6
594.30530	2.3
607.30804	5.8
609.32501	4.8
621.32538	1.4
635.34076	2.2
663.33362	1.2
665.35602	1.2
677.38843	3.3
678.39429	1.7
693.34430	24.7
695.39868	4.6
733.39978	1.3
761.40631	7.0
779.41742	100.0
780.41919	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	778.5381
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05036	0.9
58.06368	0.3
58.06642	0.4
59.07407	0.2
60.08170	6.8
67.05517	0.2
68.62100	0.1
69.78684	0.2
69.79098	0.5
70.06606	0.3
71.06985	0.3
71.07378	4.1
76.37663	0.1
79.05507	0.2
80.97398	0.1
86.09714	33.0
87.10045	0.3
93.07049	0.2
94.26732	0.1
98.98476	4.0
104.10753	2.4
104.60886	0.1
123.81310	0.1
125.00016	23.0
125.82833	0.1
143.01155	0.2
166.06343	0.2
184.07355	100.0
185.07697	0.6
234.96016	0.1
343.44202	0.1
482.46432	0.1
518.32550	0.2
534.38336	0.1
643.94147	0.1
778.53961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05515	5.2
56.05036	0.9
57.03446	2.9
57.07071	3.1
60.07892	0.4
60.08165	6.2
65.01377	0.4
67.05184	0.7
67.05509	8.3
69.03431	0.6
69.06731	0.6
69.07074	7.3
69.92080	1.6
71.04984	0.8
71.07380	4.2
71.08620	1.6
79.05496	4.4
81.03420	17.9
81.07059	8.3
83.04991	1.0
83.08624	8.5
83.10009	0.5
85.06548	0.6
85.10159	1.2
86.09711	30.0
91.05478	4.6
93.07035	4.8
95.04967	5.4
95.08614	7.7
97.06532	1.5
97.09758	0.4
97.10186	3.9
97.81729	0.5
98.20860	0.6
98.98476	4.2
104.10733	1.9
105.07040	3.1
105.47444	0.4
107.04940	1.6
107.08607	2.5
109.06476	0.6
109.10149	2.9
111.04429	0.5
111.08062	1.8
111.11729	0.7
112.01755	0.4
117.07034	0.9
119.08576	2.8
119.48569	0.5
121.10135	3.9
123.11741	0.9
125.00011	20.4
129.06996	1.6
131.08574	1.4
133.06491	0.4
133.10104	1.6
135.11688	1.9
142.07784	0.6
143.01114	0.6
145.10078	0.9
147.07991	0.5
147.11661	1.6
149.09605	1.5
149.13239	0.7
157.10136	2.4
175.11179	1.4
176.64749	0.4
184.07350	100.0
185.07716	1.9
186.07845	0.7
189.54852	0.5
193.12233	5.4
205.12344	0.5
214.15222	0.5
220.17075	0.6
224.70551	0.4
249.14990	0.8
258.08679	0.4
267.15924	26.8
268.16284	0.5
275.20029	0.7
291.19650	0.5
313.27457	0.6
339.28949	21.4
340.29092	0.9
416.38974	0.5
531.40509	18.5
532.40961	1.0
549.41577	2.9
573.41382	0.6
587.46509	1.4
630.41364	1.8
746.58020	0.5
778.53619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05508	0.3
56.05014	0.7
56.05317	0.2
57.03407	0.3
57.07053	0.3
58.06612	0.7
59.07371	0.1
60.08165	5.7
61.02893	0.4
65.03928	0.3
67.05492	0.6
68.05822	0.2
69.03411	0.3
70.06586	1.0
71.06997	0.2
71.07374	3.5
71.49564	0.3
73.02916	0.5
79.05463	0.3
81.03412	0.5
81.07037	0.7
83.76129	0.2
85.02900	0.3
86.09706	30.1
87.10011	0.3
88.07620	0.9
91.03941	0.3
91.05478	0.5
93.07037	0.5
93.32997	0.1
95.08608	0.3
97.02886	0.5
98.97510	0.3
98.98466	3.1
102.09200	0.8
104.10754	2.3
105.07009	0.4
107.08617	0.3
109.10190	0.3
116.97552	0.1
119.08527	0.2
119.70532	0.1
121.10117	0.2
125.00004	20.2
127.03911	0.2
135.11653	0.2
143.01105	0.3
149.02342	3.8
149.03415	0.3
163.11272	0.2
184.07338	100.0
185.07747	0.6
193.04941	1.6
193.76155	0.2
204.46223	0.2
221.74014	0.2
228.23233	2.2
243.08632	0.3
341.06973	0.2
385.09607	0.5
467.19360	0.3
468.19391	0.2
479.70981	0.2
518.32605	0.3
550.27692	0.2
552.29248	0.3
577.13434	0.9
710.43909	7.8
711.45221	0.5
778.41467	8.8
779.41614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65517	0.4
55.01879	0.7
55.05500	1.4
57.03432	1.4
57.07069	0.4
59.05014	0.4
61.02650	0.5
61.02932	5.4
65.03928	0.4
66.00103	0.3
67.05509	5.4
69.03436	3.5
69.07065	1.1
71.01350	0.8
71.04982	0.7
71.07323	0.4
71.49033	0.4
73.02927	3.9
74.89458	0.3
79.05495	4.3
81.03415	2.5
81.07059	5.1
83.04988	0.4
83.08651	0.9
85.02906	6.3
86.09716	1.5
87.04476	0.5
89.06029	0.7
91.03966	3.3
91.05469	2.9
93.07048	4.0
95.04970	1.0
95.08612	3.6
97.02905	4.5
97.06561	0.4
99.04462	1.0
101.01786	0.3
101.02366	1.7
105.07029	1.4
107.04977	0.5
107.08604	2.7
109.02886	0.6
109.06597	0.7
109.10159	1.5
111.04456	0.6
111.08122	0.3
115.03976	0.4
117.07029	0.6
119.08585	1.6
121.10143	2.2
123.08122	0.6
125.00021	1.2
127.03920	1.4
129.07091	0.4
131.08603	1.1
135.11717	1.5
145.04915	0.4
145.10164	1.4
147.08014	0.5
147.11754	0.6
154.95364	0.4
157.10065	0.3
163.11201	1.3
173.09590	0.4
184.07355	4.7
209.11813	0.4
223.13370	1.0
243.08429	2.0
251.12561	0.5
281.13623	6.6
333.15045	0.4
335.25656	0.6
337.16434	0.7
345.57526	0.4
499.21591	3.8
519.29419	7.4
580.01129	0.3
777.43970	100.0
778.44183	6.8
805.00024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05507	5.5
57.03432	5.2
57.88311	1.3
61.02924	10.0
67.05511	12.2
68.31270	1.4
69.03421	6.8
69.07073	4.1
69.84007	3.9
69.84403	2.4
70.80511	1.4
71.04999	2.8
73.02913	8.6
79.05496	11.1
80.98683	1.3
81.03419	5.7
81.07056	9.8
83.05002	3.5
83.08614	3.3
85.02911	12.7
86.09665	1.9
91.03971	6.2
91.05485	9.2
93.07037	10.3
95.05015	1.7
95.08611	6.7
97.02890	8.0
99.04449	2.2
101.02387	2.6
105.07061	4.4
107.04958	1.9
107.08617	5.7
109.02846	2.5
109.06537	2.2
109.10178	2.5
117.07044	4.2
119.08630	5.1
121.10166	2.2
123.08131	1.6
125.09581	1.5
127.03941	3.1
129.05539	1.6
133.10184	3.6
135.11739	2.5
143.08617	2.8
145.10161	5.1
147.11751	2.3
161.09569	1.6
163.11240	4.4
171.11736	1.9
173.09648	1.8
184.07390	6.0
185.04282	3.6
191.10571	1.4
209.11618	1.7
227.12854	2.0
242.55231	1.4
243.08412	8.8
247.13176	2.6
283.15448	2.3
287.16187	1.9
301.09085	4.6
315.10605	1.9
333.20166	1.6
351.14908	1.7
373.11246	1.6
385.19125	1.7
429.17682	1.7
455.19049	2.6
465.21008	9.8
467.18906	27.6
483.18481	1.7
485.19720	1.4
493.09692	1.4
533.27289	2.3
607.31055	1.4
661.32019	4.5
679.32947	8.6
690.32117	2.5
691.33020	100.0
692.33521	6.1
707.32196	5.0
719.39673	6.4
731.40155	7.0
751.02307	1.5
759.39386	11.4
777.40259	85.9
778.41101	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	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05513	2.1
57.03443	1.0
60.08172	0.6
60.68625	0.5
61.02924	4.9
66.39491	0.4
67.05508	3.3
69.03424	2.8
69.07077	1.7
69.92931	0.4
70.74112	1.4
71.05003	0.5
73.02915	3.4
77.30703	0.4
79.05487	2.7
81.03421	2.5
81.07070	3.4
83.05003	1.0
83.08616	1.1
85.02917	3.2
86.09690	2.7
91.03983	1.6
91.05499	2.9
93.07043	2.8
95.04987	1.0
95.08623	1.6
97.02899	4.4
97.10152	0.7
99.04505	1.0
101.02405	1.9
103.45181	0.4
105.07052	2.0
107.04974	1.1
107.08615	2.4
109.02910	1.0
109.06540	0.5
109.10164	1.2
112.73741	0.5
117.07033	0.7
119.08618	1.6
121.10162	1.2
123.08062	0.7
125.00038	1.8
127.03940	1.0
129.06999	0.8
133.10184	1.4
135.08102	0.6
135.11739	1.4
145.10164	1.1
147.11676	0.5
160.37070	0.5
163.11259	1.6
173.09804	0.5
177.29361	0.4
184.07347	10.0
185.04298	0.6
195.99287	0.4
203.05354	0.6
217.97116	0.4
226.31090	0.6
243.08546	2.2
249.11011	0.5
251.12355	0.5
252.48323	0.4
333.20474	1.4
402.33990	0.5
467.19037	6.9
469.20300	2.4
549.26941	1.1
551.28326	2.7
679.32349	0.6
710.44531	0.7
777.40338	100.0
778.40643	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	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05507	5.5
57.03432	5.2
57.88311	1.3
61.02924	10.0
67.05511	12.2
68.31270	1.4
69.03421	6.8
69.07073	4.1
69.84007	3.9
69.84403	2.4
70.80511	1.4
71.04999	2.8
73.02913	8.6
79.05496	11.1
80.98683	1.3
81.03419	5.7
81.07056	9.8
83.05002	3.5
83.08614	3.3
85.02911	12.7
86.09665	1.9
91.03971	6.2
91.05485	9.2
93.07037	10.3
95.05015	1.7
95.08611	6.7
97.02890	8.0
99.04449	2.2
101.02387	2.6
105.07061	4.4
107.04958	1.9
107.08617	5.7
109.02846	2.5
109.06537	2.2
109.10178	2.5
117.07044	4.2
119.08630	5.1
121.10166	2.2
123.08131	1.6
125.09581	1.5
127.03941	3.1
129.05539	1.6
133.10184	3.6
135.11739	2.5
143.08617	2.8
145.10161	5.1
147.11751	2.3
161.09569	1.6
163.11240	4.4
171.11736	1.9
173.09648	1.8
184.07390	6.0
185.04282	3.6
191.10571	1.4
209.11618	1.7
227.12854	2.0
242.55231	1.4
243.08412	8.8
247.13176	2.6
283.15448	2.3
287.16187	1.9
301.09085	4.6
315.10605	1.9
333.20166	1.6
351.14908	1.7
373.11246	1.6
385.19125	1.7
429.17682	1.7
455.19049	2.6
465.21008	9.8
467.18906	27.6
483.18481	1.7
485.19720	1.4
493.09692	1.4
533.27289	2.3
607.31055	1.4
661.32019	4.5
679.32947	8.6
690.32117	2.5
691.33020	100.0
692.33521	6.1
707.32196	5.0
719.39673	6.4
731.40155	7.0
751.02307	1.5
759.39386	11.4
777.40259	85.9
778.41101	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	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05505	2.0
57.03431	1.6
58.67576	0.4
60.08157	1.8
61.02929	3.2
65.03951	0.5
67.05508	6.2
68.05845	0.7
69.03430	3.3
69.07064	2.0
71.04996	0.7
71.07361	1.0
73.02922	2.6
79.05496	4.1
81.03414	2.9
81.07055	4.7
83.01364	0.5
83.04976	1.7
83.08617	1.3
85.02911	5.0
86.09705	8.2
87.10027	0.5
91.03976	2.4
91.05495	3.7
93.07037	3.6
93.81401	0.5
94.07337	0.5
95.04965	1.5
95.08624	2.2
97.02901	3.7
97.06566	1.6
98.98484	0.9
99.04461	0.6
100.34112	0.4
101.02376	1.9
104.10684	0.6
105.07020	2.9
107.04977	1.1
107.08588	2.5
109.02850	0.8
109.06531	0.8
109.10168	1.4
117.07029	1.2
119.08598	2.1
121.06555	0.5
121.10179	0.9
121.63499	0.5
125.00000	6.3
127.03941	1.6
131.08572	1.0
133.10127	2.3
135.08159	0.6
135.11705	1.7
145.04958	0.6
145.09058	0.5
145.10066	2.3
147.11691	0.5
149.02455	1.0
163.11244	1.8
173.09674	0.6
184.07350	27.1
184.72459	0.5
185.04242	0.7
185.07738	1.3
207.54642	0.5
228.93636	0.6
243.08475	2.9
253.14404	0.6
321.05054	0.5
328.73734	0.5
333.20486	1.4
357.08331	0.5
406.55835	0.5
430.47382	0.5
435.69821	0.4
439.19748	0.9
453.21149	0.9
467.18924	7.1
469.20612	1.5
504.34140	0.6
551.28259	4.1
679.32233	0.7
690.33240	0.5
710.43646	0.9
727.44214	0.9
777.40302	100.0
778.41150	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	777.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
55.05507	2.3
57.03444	1.9
61.02929	4.9
65.57403	0.7
67.05508	5.7
69.03436	2.6
69.07080	1.8
69.27027	4.5
69.27439	1.8
71.01373	0.9
71.05007	1.0
72.20163	0.7
73.02933	3.8
79.05507	5.3
81.03418	6.1
81.07063	6.4
83.04980	1.7
83.08639	2.6
85.02908	6.1
85.06536	0.8
85.71013	0.7
86.09695	3.4
91.03983	2.6
91.05502	6.3
92.65396	0.7
93.07052	3.0
94.07362	1.0
95.04993	2.8
95.08630	2.3
97.02908	4.2
99.04475	1.0
101.02400	1.6
105.07037	3.9
106.07370	1.0
107.04969	1.0
107.08591	1.7
109.02895	0.8
109.06573	1.7
109.10184	1.6
111.08096	0.8
117.07030	0.8
118.75916	0.7
119.08622	2.4
121.10151	1.1
123.08117	1.0
123.80535	0.7
125.00022	2.3
127.03924	0.9
129.07034	1.1
131.08589	2.0
133.10167	2.3
143.08562	0.8
147.08099	0.9
147.11731	2.2
149.09671	0.9
157.10286	0.9
165.12772	0.8
175.11224	1.5
178.05188	0.9
184.07339	12.0
185.07793	2.0
193.12141	1.8
211.13315	0.8
243.08496	2.8
251.12717	0.9
331.18918	2.7
400.10352	0.8
451.20068	1.0
469.20578	10.8
503.67532	0.7
549.26624	2.1
554.64935	0.8
624.80902	0.8
679.33130	2.9
759.39282	9.9
777.40210	100.0
778.40686	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	777.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.03436	1.7
59.04996	1.2
61.02933	3.6
67.05512	6.0
69.03437	2.0
69.07059	0.4
71.01371	0.4
71.04994	1.7
73.02924	2.7
79.05502	1.7
81.03430	3.2
81.07037	2.0
83.08620	1.3
85.02909	4.1
85.06551	0.5
86.09723	1.8
87.04462	0.7
91.03954	2.1
91.05488	2.4
93.07054	1.6
95.04994	1.5
95.08617	1.7
95.09216	0.4
95.54376	0.4
97.02885	3.0
97.06530	0.6
99.04469	0.8
101.02411	1.5
104.51072	0.4
105.07028	1.2
107.04944	0.6
107.08614	0.9
109.02843	0.5
109.10182	6.6
111.08112	0.6
115.03934	0.6
119.08622	1.5
121.06577	0.5
121.10180	1.6
123.08082	0.5
125.00017	1.1
127.03944	1.1
129.07019	0.6
131.08582	0.9
133.10182	1.6
137.09572	0.4
147.11723	0.7
148.97969	0.5
149.09641	1.6
155.10634	0.5
157.10156	1.2
173.11749	1.6
175.11255	0.6
183.06783	0.5
184.07358	4.0
184.08504	0.4
185.07887	0.7
193.12270	1.6
195.10060	0.8
198.72256	0.4
203.05275	0.5
219.10167	0.4
225.14856	0.8
228.96872	0.5
229.14297	0.9
243.08351	2.4
252.98573	0.5
267.16025	1.1
272.69882	0.4
283.15210	4.2
310.76447	0.5
339.17859	0.7
413.17868	12.1
415.59000	0.5
467.57104	0.6
501.23087	13.8
510.94708	0.5
511.28900	0.6
615.62732	0.4
641.31952	0.6
673.34155	100.0
674.34552	5.5
741.68390	0.5
759.37720	0.7
777.38776	12.2
778.38751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.05517	48.8
57.03194	1.6
57.03440	16.4
57.07067	3.2
59.04984	4.0
61.02913	2.0
63.25910	1.4
65.03925	3.9
67.05509	100.0
69.03419	4.2
69.06735	1.7
69.07073	22.6
71.04627	1.4
71.04987	5.7
73.02913	1.2
79.05499	51.0
81.03425	7.1
81.07063	69.5
83.04996	8.3
83.08619	19.1
85.02435	2.2
85.02911	18.5
85.06546	3.4
86.09690	1.9
87.04477	12.1
91.03955	2.5
91.04914	1.6
91.05486	31.1
93.07051	43.3
95.04961	6.8
95.08611	44.2
97.02892	4.5
97.06512	5.8
97.10173	27.4
99.04464	1.4
103.03953	2.5
105.07041	18.7
107.04939	5.0
107.08598	33.2
109.06506	3.0
109.10162	55.1
111.04484	1.8
111.08089	2.9
113.97665	1.2
117.07021	9.9
119.08594	14.2
121.10152	22.7
123.08043	3.2
123.11743	3.5
125.09621	21.7
129.06978	3.5
131.08572	13.7
133.10155	10.9
135.11716	14.0
137.09610	5.1
137.13177	1.5
139.11168	3.5
140.71066	1.2
143.08534	2.5
143.10655	3.9
145.10165	10.2
147.11699	8.6
149.09634	3.8
149.13254	5.8
153.94717	1.5
155.08501	1.5
155.10661	4.4
157.10146	3.6
159.11673	10.0
161.13249	5.9
163.11195	5.7
163.14841	1.9
165.12781	1.6
171.11707	3.7
173.09589	1.6
173.11725	11.4
173.13287	4.9
175.14775	1.9
181.12267	1.8
184.07318	7.5
185.13260	1.7
187.14822	3.1
189.11182	2.1
191.10609	1.5
193.12289	2.9
197.13249	2.1
199.13326	10.6
209.11707	3.2
217.14278	2.5
227.12813	7.1
229.14355	36.9
243.21251	3.0
245.13879	1.6
261.22195	10.6
267.15906	4.6
277.21698	2.0
299.14963	1.8
301.16458	14.4
305.21024	1.4
315.23215	1.9
319.17508	3.0
335.25809	51.9
336.26022	2.4
345.99396	1.5
442.98193	1.6
446.64368	1.3
451.31433	1.7
469.33124	1.4
477.35910	11.1
489.36002	6.7
543.36481	2.5
561.37854	7.1
579.38373	4.1
628.83881	1.4
776.42194	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.9
55.05516	45.7
55.85855	1.8
57.03443	18.2
57.07077	2.8
59.04993	3.6
61.02921	3.8
65.03936	3.3
67.05508	100.0
69.03421	6.4
69.07066	19.3
71.04987	3.0
71.49440	2.3
71.49854	2.0
73.02877	2.4
79.05496	50.3
81.03431	8.7
81.06599	3.7
81.07064	70.4
83.04986	5.9
83.08627	15.3
85.02898	14.8
85.06542	3.5
86.09699	9.5
87.04473	4.7
91.05484	31.2
92.52663	1.8
93.07050	48.7
95.04959	6.8
95.08070	3.1
95.08622	43.3
97.02895	4.5
97.06528	6.3
97.10165	23.4
103.03917	2.2
105.07037	15.7
107.04922	2.2
107.08598	31.5
109.06467	2.8
109.10161	47.8
111.08086	4.6
111.11729	2.0
117.06982	10.7
119.08599	17.3
121.10149	25.7
123.08037	2.7
123.11734	5.0
124.99982	5.8
125.09634	22.8
131.08600	13.1
133.10153	12.5
135.11681	14.5
137.09575	2.0
139.11201	2.6
143.10635	3.5
145.10109	11.5
147.08078	2.0
147.11655	7.8
149.09631	2.1
149.13210	5.7
155.10625	2.8
157.10101	2.3
159.11688	7.8
161.13272	5.5
163.11148	7.1
163.14821	4.2
171.11673	4.7
173.11702	8.5
173.13214	5.6
174.13698	1.7
175.14780	2.9
184.07376	25.8
185.07751	2.4
187.14897	4.3
189.11153	2.6
191.10710	2.2
193.12367	2.5
199.13235	12.2
201.34412	2.0
209.11794	4.4
223.14627	1.9
227.12761	6.0
229.14334	34.4
230.14653	2.1
241.14372	2.3
243.21095	3.8
245.13835	2.7
259.20621	2.1
261.22186	15.1
267.15860	4.5
277.21484	1.9
283.15421	2.6
301.16455	20.4
315.23087	2.6
319.17551	2.0
333.24191	2.6
335.25821	69.3
363.25296	2.5
477.35712	13.5
489.35779	11.9
543.36652	3.6
561.37830	10.3
579.38647	4.4
776.42456	3.0
777.42877	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	776.476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70950	0.4
55.01866	1.3
55.05508	2.6
55.40411	0.4
56.05040	0.6
57.03447	1.9
57.07063	0.6
58.06604	0.8
59.04993	0.7
60.07886	0.5
60.08163	6.6
61.02924	0.8
65.03930	0.6
67.05506	17.6
69.03424	0.9
69.07072	4.2
69.21432	4.1
69.79078	0.4
71.04992	6.6
71.07377	3.9
79.05492	8.9
81.03445	2.3
81.07061	10.4
82.07410	0.5
83.04961	1.5
83.08633	2.6
85.02883	0.5
85.06554	1.1
86.09708	32.9
91.05485	7.7
93.07047	9.8
93.07632	0.6
95.04964	1.6
95.08613	5.4
97.02899	0.7
97.06522	2.1
97.10168	1.1
98.98457	3.3
99.08107	0.6
104.10753	2.8
105.07030	4.4
107.04955	1.1
107.08599	6.1
109.06535	0.9
109.10162	10.4
111.04442	0.4
111.08092	0.9
116.06332	0.4
117.07027	1.9
119.08579	4.4
121.06492	0.8
121.10183	2.3
123.08078	0.5
125.00007	22.1
125.09681	0.6
127.03890	0.6
129.07014	1.2
131.08575	2.0
133.10139	2.9
135.08055	1.0
135.11681	3.3
137.09601	2.5
143.08601	0.6
145.10117	2.3
147.11690	1.3
149.09583	1.2
149.13266	1.2
155.10654	0.9
159.11705	1.8
161.13332	0.6
163.11221	1.3
169.12326	0.5
171.11717	0.9
173.11705	1.4
181.12234	0.6
184.07344	100.0
185.07657	0.9
185.13214	0.4
211.13199	0.8
227.12794	1.1
229.14281	0.6
243.15857	0.9
255.15918	1.6
267.16052	0.5
269.17514	1.2
275.20093	2.5
285.10001	0.6
287.18536	3.7
293.21112	0.9
349.23581	2.0
402.68597	0.4
409.25735	1.4
423.27438	4.7
435.27499	3.2
437.28992	1.4
449.28918	2.6
467.30161	1.4
481.31622	7.1
482.31781	0.5
485.32370	0.7
503.33673	5.3
517.35455	0.6
529.35394	2.0
543.36810	0.8
547.36261	0.5
561.37683	1.3
579.38556	0.5
589.04041	0.5
593.33099	0.6
726.43274	11.0
776.38208	0.7
777.40088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.9
57.03432	4.6
57.07059	3.0
59.85741	2.3
60.08156	9.7
67.05508	39.2
69.03420	6.3
69.06725	2.2
69.07058	13.3
71.05013	2.4
71.07376	4.2
71.49254	2.6
74.66510	2.4
77.93644	2.3
79.05152	2.4
79.05505	27.4
81.03407	2.4
81.07063	48.7
81.87383	2.1
83.08592	5.6
86.09708	29.1
87.10029	5.3
91.05477	22.6
93.07053	30.1
95.04966	4.4
95.08611	28.1
97.02917	2.5
98.98456	4.7
104.10687	2.5
105.07019	15.7
107.04906	2.1
107.08590	18.0
109.06496	4.6
109.10165	12.9
117.05746	2.1
117.07034	6.9
119.08573	15.2
121.10138	15.5
123.11699	6.8
125.00021	23.7
129.06999	4.1
129.86899	2.1
131.08546	11.6
133.10124	9.0
135.11687	10.4
137.09554	2.8
145.10114	8.4
147.11687	8.5
149.13269	5.0
155.08495	4.1
157.10172	7.2
159.11693	8.4
161.13208	3.5
163.14923	2.3
169.40230	2.3
171.11682	2.8
173.13353	3.6
177.16362	2.3
183.11716	2.9
184.07344	100.0
185.07669	16.7
185.09145	2.4
185.13316	3.7
199.14737	2.8
261.22147	7.0
301.21411	2.8
303.23041	2.4
335.25803	32.4
356.06351	2.6
369.24268	5.2
461.28574	3.5
613.48151	4.9
660.47479	2.7
757.54755	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	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05515	3.5
57.03435	3.1
59.05001	0.8
61.02926	6.6
62.75999	0.7
67.05508	9.8
68.05848	1.0
69.03423	4.6
69.07072	2.8
70.98071	1.6
71.05008	1.1
73.02920	3.3
79.05498	10.1
79.05924	1.0
79.34048	0.6
80.05857	1.0
81.03418	6.0
81.07061	11.8
83.04991	2.2
83.08633	3.0
85.02908	6.5
86.09749	0.7
91.03968	4.7
91.05488	9.6
93.07044	8.7
94.07390	0.9
95.04989	3.0
95.08605	5.0
96.08975	0.7
97.02895	5.9
97.06570	1.8
97.10195	1.0
99.04465	1.5
101.02413	1.8
105.07034	6.3
106.07332	0.8
107.04956	0.9
107.08583	4.2
109.02899	0.9
109.06557	2.1
109.10194	2.9
111.08137	0.8
114.94437	0.7
115.03937	0.8
117.07051	1.8
119.08591	4.3
121.06547	1.4
121.10160	2.2
123.08118	1.8
123.11756	0.8
127.03901	1.8
129.05492	0.9
129.06979	0.9
131.08623	1.9
133.10176	2.7
133.84117	0.7
134.10448	0.7
135.11749	1.6
137.09592	0.8
145.10150	3.3
147.11768	2.1
149.09694	1.1
149.13329	1.4
150.13669	0.8
157.10216	0.9
159.11729	1.5
160.12094	0.8
163.11226	2.2
171.11749	1.7
173.15454	0.7
181.05014	0.6
184.07426	2.2
185.04271	0.9
195.13904	1.2
230.09566	0.8
243.08447	3.6
256.16495	0.9
260.21088	0.9
269.17529	0.9
270.17935	0.9
283.15390	1.3
284.15811	0.9
333.20370	0.7
394.55304	0.7
451.19952	0.9
453.20804	0.8
465.20853	6.7
467.18903	3.7
531.26099	2.0
549.26984	2.9
551.28229	4.4
677.32153	2.5
757.37146	6.3
775.41370	100.0
776.41907	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	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05507	2.3
57.03433	2.1
61.02929	4.3
64.85715	0.4
67.05511	7.0
69.03442	2.4
69.07073	2.6
71.49947	0.5
73.02921	3.2
79.05065	0.8
79.05493	7.7
81.03413	4.9
81.07062	7.6
82.07388	0.8
83.04983	1.6
83.08623	1.7
85.02911	4.7
86.09715	1.3
91.03955	2.3
91.05488	7.4
91.06030	0.6
93.07046	6.8
94.07417	0.5
95.04989	2.9
95.08613	4.1
97.02898	3.7
97.06516	0.9
97.10175	0.4
98.98468	0.5
99.04453	0.7
99.08118	0.5
101.02400	1.3
101.31310	0.4
105.07028	5.2
107.04954	0.8
107.08613	3.4
109.02864	0.6
109.06545	1.1
109.10179	1.4
111.08088	0.8
117.07046	1.7
119.08584	3.5
120.08960	0.6
121.10148	1.8
121.31209	0.4
123.08100	0.6
125.00055	0.9
127.03948	1.0
129.05508	0.6
129.07030	1.7
131.08588	1.2
133.10149	2.7
135.08113	0.6
135.11745	1.1
136.11964	0.4
142.07829	0.5
142.85655	0.4
143.08568	0.7
145.10143	1.7
147.08052	0.4
147.11696	2.5
149.09567	0.4
159.11714	1.0
161.09726	0.5
161.13272	0.7
163.11237	0.5
171.11742	1.4
173.13287	0.4
184.07355	3.4
189.12793	0.4
193.12251	1.1
203.05318	0.5
211.13382	2.0
212.13794	0.4
243.08493	2.5
247.13133	1.1
259.20718	0.5
269.17651	0.7
275.20059	0.4
285.17084	0.9
286.17322	0.6
303.15695	0.5
312.60025	0.4
333.20581	1.7
340.40695	0.4
432.96155	0.4
439.19507	0.6
453.21075	0.5
465.21021	8.4
544.37152	1.0
551.28436	4.3
775.42377	100.0
776.42883	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	775.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05522	3.0
57.03438	2.4
60.69509	0.4
61.02929	4.2
67.05503	6.4
69.03433	3.9
69.07068	4.2
71.01344	0.6
71.04976	1.1
73.02918	3.3
79.05510	6.4
81.03427	3.9
81.03844	0.6
81.07061	5.6
83.01343	0.4
83.04974	1.7
83.08624	1.0
85.02918	4.6
86.09718	1.7
87.04480	0.5
91.03950	2.4
91.05492	4.9
92.05816	0.7
93.07049	4.8
94.07364	0.7
95.04968	2.1
95.08628	3.1
97.02889	4.9
97.06559	1.3
97.10172	1.5
98.21524	1.4
98.98453	0.5
99.04419	0.6
101.02383	1.7
105.07041	3.4
107.04963	0.8
107.08582	3.7
109.02920	0.7
109.06528	1.4
109.10163	1.9
111.08118	0.6
117.07028	2.0
119.08597	2.4
121.10160	1.7
123.04339	0.6
123.08058	0.9
125.00005	1.1
125.09676	1.1
127.03925	1.5
129.07016	0.7
131.08588	1.5
133.06522	0.7
133.10149	2.1
135.11670	2.6
145.05049	0.5
145.10152	1.9
147.08073	0.8
147.11713	0.8
149.13303	0.5
157.10159	0.6
159.11743	0.8
163.11179	2.3
184.07347	5.4
185.04167	0.7
189.11380	0.6
203.05247	0.8
223.13264	0.8
243.08423	3.1
249.11073	0.7
276.20523	0.4
279.73727	0.5
283.15561	0.5
286.17371	0.5
291.19498	1.5
313.09134	0.5
331.18915	1.4
349.23859	0.6
349.49127	0.6
465.21283	0.8
467.18948	8.7
544.37018	0.7
549.26776	4.4
641.29810	0.7
775.38776	100.0
776.39130	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	775.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
55.05514	4.5
57.03438	3.9
61.02925	6.0
65.03947	0.9
67.05508	9.5
69.03421	3.9
69.07064	4.8
71.05006	1.3
71.49037	1.3
73.02919	3.6
79.05495	9.4
80.05814	0.9
81.03408	4.6
81.07054	11.2
82.07374	1.1
83.04966	3.2
83.08615	2.1
83.72636	0.7
85.02900	6.4
85.06532	1.1
91.03951	3.2
91.05488	8.3
93.07043	8.3
94.07373	0.8
95.04975	3.6
95.08595	4.3
95.23908	0.7
97.02893	6.7
97.06520	3.0
99.04460	1.4
101.02378	2.1
105.07048	6.4
106.07404	1.0
107.04951	2.6
107.08593	4.7
109.02923	0.9
109.06519	1.9
109.10159	2.6
111.08084	1.3
112.51725	0.7
117.07010	2.0
117.36434	0.7
119.08601	4.3
121.06537	1.4
121.10160	2.5
123.08113	1.2
123.11749	1.3
127.03941	1.3
131.08554	2.2
133.10112	4.6
134.10478	1.4
135.08113	0.9
135.11690	2.6
143.08571	0.8
145.10114	3.2
147.11714	0.9
149.09639	1.3
149.13258	1.1
151.11253	1.0
159.11671	1.7
163.11177	2.9
169.91574	0.7
173.13210	0.7
184.07285	0.9
185.04160	0.8
193.12308	1.5
195.13788	1.6
203.05257	0.7
243.08414	2.0
265.14380	0.8
269.17508	3.2
270.17856	1.1
276.20407	0.9
283.15305	1.6
284.15625	0.9
309.46545	0.8
313.17813	0.9
331.18811	2.8
342.25272	0.8
350.24014	1.1
352.04803	0.7
365.23285	1.0
467.19022	10.7
531.25751	2.2
539.20630	1.1
544.37061	2.8
549.26501	2.9
677.31512	4.7
757.25000	1.3
757.37567	12.1
758.37195	1.0
775.38940	100.0
776.39087	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	775.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17903	0.4
58.49760	0.4
65.03925	1.6
66.04720	0.5
68.19398	0.5
69.03419	1.1
70.74607	1.1
77.50271	0.4
78.04691	0.8
79.05475	1.1
80.71122	0.4
85.02913	1.0
91.05487	1.3
93.03423	0.6
94.04162	2.3
94.23585	0.4
95.04961	1.6
97.02939	0.5
97.06534	0.7
100.75588	0.4
103.05486	0.9
105.59174	0.5
107.04942	1.3
109.02889	0.4
110.03687	0.9
115.05446	2.6
117.07037	2.5
119.04901	0.6
122.03657	6.1
123.04428	1.3
124.05223	0.7
125.06014	0.7
127.05417	0.9
131.04958	0.6
137.05984	100.0
138.06299	1.0
143.04930	4.1
145.06471	4.1
147.04417	1.1
149.06013	0.6
151.03946	3.4
152.04657	0.8
155.06036	1.9
161.06032	0.7
165.05605	0.5
167.07043	26.7
171.06529	1.0
173.06003	7.0
175.07558	1.1
181.04964	19.9
181.40564	0.5
195.06572	0.5
203.07152	1.0
205.08624	3.2
206.42871	0.5
209.07957	0.5
218.43346	0.4
233.08142	1.7
235.09637	2.4
272.04385	0.4
279.29108	0.4
310.08170	0.6
325.10605	0.6
357.13367	9.5
363.04019	0.6
385.12875	6.0
387.14401	56.7
388.14688	2.3
415.14133	0.6
417.15604	2.6
557.84259	0.5
579.21039	0.9
613.22809	2.5
629.05792	1.1
711.19354	0.6
775.27832	4.4
776.28094	0.8
794.67664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
57.07064	0.2
58.06366	0.3
58.06636	0.5
58.38827	0.1
60.08168	5.6
67.05497	0.4
69.07069	0.1
70.08399	0.2
70.08795	0.3
70.92006	0.1
71.07376	3.3
75.31849	0.1
77.46248	0.2
80.97430	0.1
81.07072	0.2
85.35844	0.1
86.09708	27.6
87.10056	0.4
91.05521	0.2
91.34506	0.1
93.07090	0.1
98.98468	3.5
104.10748	2.3
125.00010	19.1
165.37604	0.2
173.99937	0.1
184.07346	100.0
185.07697	0.9
186.07773	0.2
208.28273	0.1
249.07822	0.2
261.31119	0.2
496.33911	0.2
500.31134	0.2
682.99371	0.2
756.55377	4.5
757.55316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51298	1.8
55.01854	2.3
55.05515	19.9
57.03442	20.8
57.07061	2.7
67.05509	59.8
69.03428	3.8
69.07071	14.6
70.10708	4.7
70.11100	3.9
71.04980	1.9
79.05495	45.1
81.03420	82.2
81.06593	3.5
81.07057	58.3
83.04967	7.7
83.08618	22.6
85.06575	2.3
86.09683	2.0
91.05481	38.8
93.06490	2.8
93.07049	45.9
95.04970	27.7
95.08614	44.8
97.02886	3.0
97.06509	4.7
97.10174	7.4
98.21420	2.2
99.08059	2.1
101.40934	1.6
105.06397	3.0
105.07034	31.2
107.04964	9.4
107.08601	27.3
109.06519	5.9
109.10160	23.8
111.04421	2.3
111.08093	8.1
115.05473	3.3
117.07014	9.1
119.08591	21.4
121.06518	1.8
121.10123	22.0
123.08089	5.2
123.11708	6.8
125.09631	4.3
129.07010	7.6
131.08569	21.6
133.06474	2.9
133.10153	14.2
135.08017	2.2
135.11694	12.2
137.09561	2.5
142.07748	2.9
145.10143	10.7
147.08022	4.2
147.11684	12.9
149.09618	3.2
149.13257	6.9
157.10097	10.6
159.11671	7.1
161.13246	5.5
163.11195	2.7
163.14827	4.3
171.11714	2.3
173.13284	5.9
175.11177	7.0
177.16408	2.1
189.11205	3.9
193.12270	19.2
227.12782	8.7
235.13405	2.1
243.21031	5.9
249.14899	2.0
261.22153	19.2
267.15927	100.0
301.25183	4.7
309.16736	3.0
317.24628	4.0
335.25806	92.2
336.25992	2.2
435.27316	2.1
435.32602	4.7
453.33588	7.8
471.34628	6.3
521.71472	2.1
527.37354	60.5
545.38422	41.2
546.39099	1.9
556.31915	1.9
569.38110	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	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.9
55.05516	31.9
57.03443	25.8
57.07068	3.2
59.89304	2.6
60.08143	2.5
61.02926	6.9
65.03923	4.5
67.05514	81.3
68.05829	3.7
69.03445	12.0
69.07071	28.5
71.04997	7.5
71.08618	2.8
79.05504	79.1
81.03426	68.9
81.06596	4.5
81.07066	88.4
81.67481	2.3
83.04986	25.4
83.08623	26.6
85.02915	29.7
85.06530	3.9
91.03965	2.3
91.04918	5.0
91.05490	100.0
92.98052	2.0
93.07057	82.8
93.87122	2.3
95.04987	37.0
95.08616	39.3
97.02913	12.1
97.06534	13.5
97.10187	6.1
99.08099	6.1
105.07044	77.3
107.04993	12.8
107.08599	37.8
109.06511	10.5
109.10159	15.9
111.04449	3.8
111.08092	13.8
113.05997	3.2
115.05457	5.7
117.07056	26.7
119.08601	61.2
121.06479	4.4
121.10158	25.1
123.08057	7.5
123.11701	4.1
125.09614	4.5
127.03876	4.1
128.06189	4.5
129.05482	4.3
129.07033	17.3
131.08586	41.1
133.06485	5.4
133.10158	40.1
135.08087	3.2
135.11699	12.2
137.09613	5.5
141.07011	3.7
142.07829	4.1
143.08537	8.0
145.10124	20.1
147.08080	3.7
147.11708	47.8
149.09660	12.3
149.13266	11.1
151.11214	3.5
155.08607	3.1
157.10126	21.1
159.11729	18.9
161.13263	14.4
163.11218	6.8
165.12782	4.9
169.10095	3.7
171.11618	11.7
173.09587	3.5
173.13246	6.8
175.11217	17.4
175.14777	4.8
177.12817	3.7
184.07405	11.2
185.13216	3.9
193.12247	48.0
193.13901	3.8
195.13814	4.8
199.14885	4.1
211.13341	50.3
211.15213	2.1
212.13713	2.5
229.19623	2.5
231.21074	4.2
241.19453	13.0
253.14412	4.0
254.14613	3.7
257.19006	5.6
259.18066	3.4
259.20618	40.2
267.15991	21.1
269.17499	11.6
275.20102	13.0
282.03488	2.8
283.15436	3.2
285.17007	44.1
286.17197	3.4
287.17508	3.0
291.19501	3.0
293.21008	4.6
315.23022	5.1
333.24304	34.1
348.77887	2.9
349.23618	7.2
365.22961	2.8
433.30823	4.1
451.31757	4.1
461.28757	9.1
475.49429	2.5
477.28198	3.8
479.30313	22.7
525.35425	10.3
543.36877	33.5
549.31360	3.0
559.35980	4.0
577.36926	3.5
775.39423	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.6
55.05283	2.2
55.05516	28.7
57.03435	21.0
61.02920	5.7
65.03931	6.7
67.05507	80.8
69.03416	12.5
69.07073	30.2
71.04987	9.1
77.03914	2.3
79.05494	73.5
80.94966	2.3
81.03424	75.0
81.07057	90.4
81.07534	4.4
83.04984	30.3
83.08624	41.1
85.02907	30.7
85.06529	3.1
91.05485	75.8
92.05741	2.5
93.07045	57.9
95.04981	35.3
95.08617	37.2
97.02892	10.7
97.06535	19.5
97.10159	9.5
99.08070	3.4
105.07031	48.8
107.04977	11.7
107.08594	36.6
109.06507	9.2
109.10143	9.8
111.08085	15.6
113.06056	4.3
115.05451	3.2
117.07002	13.5
119.08587	43.0
121.06493	6.3
121.10137	28.5
123.08041	5.8
123.11709	5.8
125.09650	5.0
127.52205	2.9
128.06210	3.6
129.07021	17.6
131.08574	33.0
133.06505	6.1
133.10138	32.0
135.08064	4.8
135.11681	13.4
137.09624	3.9
143.08553	6.1
145.10162	15.1
147.08073	4.4
147.11713	22.7
149.09608	15.8
149.13263	11.2
157.05075	2.4
157.10104	18.0
159.11674	9.1
163.11153	9.8
165.12744	4.9
169.10016	2.6
173.04504	2.9
173.13176	3.6
175.11183	16.6
177.12701	4.4
184.07373	6.7
193.12242	61.6
195.13773	8.2
211.13293	87.6
211.15294	5.2
227.12547	3.6
249.14583	2.6
255.15869	15.9
257.18973	4.7
267.15894	41.0
269.17505	48.6
269.20364	1.7
270.17667	2.6
271.57233	2.2
275.20047	24.3
285.16962	79.8
309.10645	2.6
331.22729	3.5
349.23688	16.7
367.24957	4.3
447.27271	8.9
461.29126	35.1
465.28488	21.9
479.30051	100.0
480.30545	4.0
494.43781	2.4
515.53333	2.4
537.27448	3.0
541.35199	8.8
559.36224	29.1
577.37329	6.8
623.33307	3.5
799.82245	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.9
55.05515	38.3
57.03432	26.5
57.07071	2.9
59.00907	2.0
61.02924	5.3
61.25264	2.0
61.49290	2.3
65.03924	6.9
67.05507	80.8
69.03436	13.8
69.07073	35.4
69.72973	13.0
71.04980	10.8
73.02910	2.6
73.84531	2.2
79.05498	79.8
81.03423	77.8
81.07059	100.0
81.07534	5.6
83.04984	28.1
83.08623	37.1
85.02442	2.5
85.02910	29.7
85.06543	5.0
91.05484	79.8
93.07049	68.3
95.04977	41.1
95.08611	43.3
97.02866	12.9
97.06527	18.4
97.10153	10.6
98.20793	3.0
99.08100	4.5
105.06415	4.5
105.07039	50.6
107.04987	17.8
107.08598	32.6
109.06516	8.5
109.10185	14.3
111.04446	4.5
111.08086	16.6
113.05982	4.0
115.05465	4.1
117.07019	17.5
119.08589	40.1
121.06547	4.1
121.10149	22.4
122.67683	2.3
123.08044	5.3
123.11710	4.9
125.09610	6.9
126.16917	2.1
127.03872	3.6
128.06165	2.7
129.07022	17.9
131.08591	27.3
133.06474	4.5
133.10143	31.9
135.11671	14.0
142.07791	3.6
143.08556	5.1
145.10155	12.2
147.08044	5.5
147.11690	26.6
149.09641	16.9
149.13246	9.0
157.10149	24.0
159.11688	12.6
161.13271	3.9
163.11185	9.5
165.12750	4.3
169.10106	2.8
173.04436	2.9
173.13229	6.1
175.11182	18.8
177.12686	2.8
183.11685	3.6
187.11171	3.3
189.11205	4.7
193.12257	57.3
195.13879	4.5
199.67435	2.4
205.12155	2.7
211.11356	4.4
211.13300	76.8
211.15286	4.2
225.70578	2.3
227.12810	9.2
239.17870	3.6
255.15923	12.9
257.19089	10.9
267.15909	33.8
269.17526	27.6
275.20065	30.4
285.16980	68.8
285.20172	3.4
290.33673	2.2
293.21109	2.2
349.23782	21.8
367.24509	4.5
443.27853	3.3
447.27750	11.0
461.28952	20.9
465.28598	16.6
479.30032	74.8
482.91388	2.5
541.34894	11.0
559.36304	30.8
560.36426	3.7
577.37628	5.0
718.78833	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	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.8
55.05519	35.1
57.03448	20.1
57.07070	3.5
61.02945	4.1
63.16519	3.1
65.03944	6.4
67.05511	69.0
69.03439	12.5
69.07083	22.1
71.05014	8.5
71.55112	2.9
73.02922	5.8
77.77988	2.6
79.05502	85.0
81.02988	5.3
81.03433	64.0
81.07063	83.6
83.04987	25.7
83.08636	26.9
85.02911	28.3
85.06564	4.1
86.09720	3.5
91.03979	3.8
91.05492	100.0
93.07056	74.9
95.04990	35.4
95.08619	37.8
97.02908	10.1
97.06539	13.3
97.10165	9.6
103.05465	4.5
105.07045	90.1
107.04968	12.6
107.08604	35.0
109.06527	8.4
109.10156	20.4
111.04463	5.8
111.08106	15.9
115.05435	3.6
116.04668	3.4
117.07018	26.6
119.08605	65.1
121.06546	5.0
121.10159	28.0
123.08080	8.4
123.11737	8.4
125.00037	4.3
125.09633	8.2
128.06259	3.8
129.05513	11.5
129.07021	25.6
131.08585	37.9
133.10136	49.9
135.08015	3.1
135.11708	15.7
137.09596	5.4
142.07838	5.1
143.08598	9.2
145.10129	25.9
147.08087	7.2
147.11702	41.5
149.09639	12.5
149.13263	13.9
151.11205	4.5
154.83620	3.2
157.10173	22.3
159.11679	16.7
161.13289	18.0
163.11198	12.0
169.10156	3.8
171.11711	12.6
173.13278	11.6
175.11180	15.4
175.14859	6.4
177.12733	4.0
184.07359	7.5
185.13255	8.5
187.14804	3.6
189.11230	4.0
193.12267	45.7
211.13339	55.1
227.12857	6.8
241.19499	14.7
257.19070	5.0
259.20602	47.3
267.15939	24.1
269.17560	11.6
275.20160	17.3
283.15497	8.0
285.14145	3.8
285.17035	47.1
301.16437	13.8
333.24277	36.2
349.23749	8.1
413.25571	3.6
451.31717	4.8
461.29407	4.0
477.28198	6.2
479.30139	18.8
515.38086	3.3
525.35956	12.9
543.36731	22.6
713.18896	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.6
55.05521	19.6
57.03427	9.8
57.07069	3.1
60.77231	1.8
61.02936	18.0
64.52708	2.3
65.03931	4.7
67.05511	67.2
69.03419	7.5
69.07078	23.3
70.60813	2.4
71.04992	3.8
71.26534	2.5
71.26853	2.2
73.02911	5.4
77.03925	2.3
79.05081	3.7
79.05500	53.2
81.03410	5.6
81.07066	64.4
83.04972	4.6
83.08628	11.6
85.02922	14.1
85.06528	2.6
86.09734	2.2
91.03957	6.8
91.05493	55.0
93.06495	4.3
93.07052	71.8
95.04958	7.4
95.08617	53.2
97.02896	10.4
97.06529	5.2
97.10141	4.3
99.08109	2.5
101.02386	2.0
104.22735	2.0
105.07042	48.6
107.03879	2.3
107.04981	3.9
107.08604	33.4
109.09589	2.1
109.10180	22.6
111.08048	2.6
115.05426	2.6
117.07027	21.1
119.08592	47.7
121.06557	2.3
121.10149	24.7
123.08018	2.4
123.11703	6.8
127.03894	2.8
129.07036	14.0
131.08583	39.6
133.10143	33.9
135.08031	2.4
135.11699	18.2
137.09613	2.9
141.06990	4.3
142.07764	2.9
143.08580	16.7
145.10138	26.1
146.10484	2.3
147.11687	32.4
149.09700	2.5
149.13298	13.4
155.08549	7.1
157.10132	15.5
158.76547	2.4
159.11691	27.6
161.09776	2.5
161.13254	22.2
163.14787	5.3
167.08636	3.3
169.10114	10.5
171.11702	17.3
173.13246	16.2
175.14816	11.2
177.12782	2.9
183.11731	11.1
184.07353	5.0
185.13258	18.1
186.67068	2.0
187.14828	8.0
189.16310	2.2
192.09163	2.1
195.11559	2.8
197.13287	7.8
199.14793	7.9
201.16432	3.9
209.13252	4.0
211.14888	4.5
213.16373	6.3
215.17995	3.3
225.16216	4.2
231.21091	5.1
237.16418	2.9
239.17993	3.4
241.19496	20.0
257.18933	7.0
259.20596	39.4
261.22089	6.2
262.10333	2.4
275.20062	2.8
285.22174	2.3
297.21979	3.0
299.23703	2.7
301.21631	2.8
315.23108	3.1
333.24225	25.6
335.22018	4.3
335.25821	49.4
367.22568	5.3
393.03241	2.3
519.41919	5.3
537.43060	2.1
593.45477	9.0
609.44855	6.4
611.46741	100.0
612.46814	3.8
623.48157	2.5
701.47797	3.4
719.48694	3.2
737.49725	5.9
755.51141	4.1
773.51440	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	773.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
55.05278	2.4
55.05520	37.6
57.03442	14.0
57.07074	6.1
61.02936	14.9
65.03948	6.1
67.05513	100.0
69.03435	10.4
69.07070	29.1
71.04998	3.7
73.02910	11.1
79.05501	84.4
81.03429	11.7
81.06596	4.9
81.07065	95.1
83.04998	3.5
83.08635	15.3
85.02904	15.0
85.06516	6.1
86.09711	6.9
91.03957	4.7
91.05491	75.4
93.07049	79.5
95.04969	12.1
95.08614	62.9
97.02901	14.2
97.06523	5.9
97.10172	8.2
99.08106	3.7
103.05460	3.4
105.04522	3.7
105.07040	70.3
107.04993	2.8
107.08609	42.1
109.02840	3.2
109.06518	4.9
109.10163	30.4
115.05511	2.9
117.07019	27.8
118.07557	2.5
119.08601	66.1
121.06522	4.2
121.10158	38.1
123.08109	3.2
123.11693	8.5
125.00053	4.8
125.09634	2.8
127.03905	2.5
128.06258	5.5
129.07027	18.4
131.08580	40.1
133.10152	40.8
135.08041	5.3
135.11728	23.6
141.06998	6.4
142.07768	3.0
143.08560	20.0
145.10155	41.4
147.08167	3.4
147.11700	37.1
149.09654	3.4
149.13251	19.2
155.08492	6.5
157.10138	21.6
159.11691	30.2
161.09674	2.4
161.13289	29.6
163.14832	9.2
167.08600	5.4
169.10110	9.4
169.31882	2.7
171.11702	22.7
173.13287	23.5
175.14836	16.0
177.12814	3.8
181.10146	4.2
183.11726	7.7
184.07364	22.1
185.07693	3.7
185.13313	14.7
187.11226	3.7
187.14838	11.3
189.16328	3.9
195.11729	4.8
197.09741	2.6
197.13342	6.1
199.14870	10.2
200.89389	2.6
201.16530	3.4
203.11064	2.4
211.14868	4.4
213.16389	4.9
215.18039	3.7
217.19553	4.4
225.16643	2.7
227.17928	3.1
229.19507	2.7
241.19563	28.0
243.21118	3.4
257.19058	10.0
259.20615	54.5
261.22208	8.8
273.22174	2.7
301.21869	4.8
315.23123	3.8
325.25394	3.2
333.24298	31.4
335.25848	85.6
337.27139	3.1
367.22687	5.2
370.54718	2.8
385.23856	2.8
484.84244	2.5
517.38281	2.9
519.42114	5.9
537.42743	3.9
593.45563	10.5
609.44757	5.6
611.46747	99.1
612.46667	6.1
623.46802	4.5
653.07214	2.5
677.47040	3.6
701.47546	4.9
719.47986	3.2
737.50403	3.6
755.49963	7.1
773.50916	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	772.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	0.8
57.07084	0.1
58.06367	0.2
58.06639	0.4
59.07389	0.2
60.08166	6.1
70.73524	0.3
71.07378	3.7
81.07056	0.2
86.09710	29.5
87.10027	0.2
91.05472	0.1
98.98465	3.5
104.10749	2.1
113.11237	0.1
125.00011	21.4
143.01073	0.2
184.07349	100.0
185.07742	0.8
209.24356	0.1
246.90785	0.1
347.98010	0.1
416.97186	0.1
423.78348	0.1
496.33713	0.2
754.53748	4.3
755.53796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
55.05520	4.4
57.03438	3.5
61.02930	5.1
65.03941	1.0
65.51871	0.7
67.05516	10.7
68.05842	1.3
69.03440	2.8
69.07086	2.7
71.05008	1.4
71.06920	0.6
71.48728	0.8
73.02930	3.7
73.47375	0.6
75.57767	0.6
79.05501	10.8
81.03434	4.6
81.07070	10.1
83.05000	3.0
83.08645	1.8
85.02922	5.5
86.09727	3.4
91.03977	2.7
91.05494	9.4
91.91662	0.6
92.05826	0.9
93.07056	8.9
93.85213	0.7
94.07412	1.1
95.04983	3.9
95.08621	6.7
97.02911	4.9
97.06532	1.9
99.04452	0.9
101.02410	1.5
105.07048	7.3
106.07404	1.0
107.04992	2.8
107.08591	4.0
109.02930	1.3
109.06549	1.2
109.10195	2.7
110.53387	0.7
111.04458	0.8
117.07040	2.1
119.08604	4.4
121.06493	1.1
121.10188	1.7
122.10506	0.9
123.08126	1.1
125.00046	1.9
127.03973	1.5
128.06270	0.9
129.05534	1.1
129.07010	1.4
131.08586	1.7
133.10158	3.9
135.11732	1.5
143.08585	1.0
145.10181	2.6
147.11728	3.3
149.09644	1.0
157.10220	1.0
159.11734	1.1
161.09688	1.1
161.13353	1.5
163.11241	1.5
171.11783	1.7
184.07388	10.8
185.04332	1.2
185.07864	1.1
193.12386	1.5
243.08446	3.7
275.20096	1.2
277.21378	0.8
281.17480	0.8
299.15054	1.4
313.17740	0.9
331.18866	1.7
335.25879	2.5
336.26093	1.1
451.19699	1.1
465.20963	12.6
474.45428	0.7
531.25903	2.6
544.38104	1.2
549.26501	4.3
559.37183	1.0
639.34949	0.8
675.33875	4.6
755.39764	12.4
756.40613	0.9
764.65515	0.8
773.40875	100.0
774.41034	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	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.1
55.05515	0.4
56.05038	0.7
58.06628	0.5
59.07399	0.2
60.08163	6.0
64.17378	0.1
65.29097	0.1
65.47486	0.1
67.05498	0.4
69.07063	0.4
70.06588	0.2
70.74683	0.3
71.07372	3.4
71.08635	0.2
74.71114	0.1
79.05472	0.3
81.07062	0.7
82.83779	0.1
83.04969	0.2
83.08609	0.2
86.09705	29.6
87.10041	0.5
91.05474	0.3
93.07063	0.3
93.56830	0.1
95.04971	0.1
95.08605	0.4
97.10161	0.3
98.98463	3.5
104.10741	2.1
105.07026	0.3
107.08595	0.2
109.10172	0.2
109.14227	0.1
119.08598	0.2
120.18956	0.1
125.00004	20.8
131.08582	0.1
145.10121	0.2
150.14734	0.1
157.10063	0.1
184.07338	100.0
185.07697	1.7
186.07809	0.5
227.78600	0.1
273.18427	0.1
275.20013	0.2
291.19467	0.4
308.29565	0.2
464.10220	0.1
518.87689	0.2
601.44220	0.4
754.53796	3.7
755.53497	0.3
772.53125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.4
55.05517	24.2
57.03447	13.7
57.07074	3.6
59.05005	3.5
60.08163	2.6
61.02930	4.1
65.03941	4.4
67.05511	67.9
69.03433	4.0
69.07072	17.8
71.01358	4.1
71.04993	7.5
73.02911	1.5
77.03912	0.9
79.05500	61.4
81.03424	27.0
81.07061	65.1
82.07391	1.1
83.01351	3.0
83.04988	14.1
83.08627	11.9
85.02901	10.8
85.06556	4.5
86.09715	9.3
87.04489	1.6
91.04912	1.9
91.05482	35.6
93.07053	69.1
95.04987	14.2
95.08614	46.7
96.08963	1.1
97.02900	10.5
97.06549	9.5
97.10176	3.5
99.04468	2.6
99.08048	1.2
103.05460	1.5
104.21022	1.3
105.04586	1.3
105.07042	19.4
107.04971	15.4
107.08602	33.6
108.67552	1.0
109.06526	8.9
109.10163	17.6
111.03716	2.0
111.04453	27.2
111.08103	4.6
111.11741	1.4
113.05980	1.6
116.06278	1.2
117.07021	17.1
117.07778	1.7
119.07808	2.1
119.08595	24.0
121.06506	7.2
121.10152	27.9
123.08075	8.2
123.11729	4.8
125.00015	5.2
125.05995	7.0
125.09628	4.3
127.03970	1.5
129.06955	6.0
130.07846	2.3
131.04889	1.4
131.08586	15.7
132.49159	1.0
133.10133	9.9
135.08086	3.5
135.11707	22.4
137.09644	3.4
137.13255	1.2
143.08551	2.8
144.09143	1.0
145.06494	2.6
145.10130	24.7
147.08058	5.2
147.11691	5.3
149.09651	2.8
149.13283	3.6
153.12749	9.7
155.08618	3.4
157.10136	2.1
159.11702	5.8
161.13248	2.8
163.11186	30.3
163.14897	1.8
171.11703	2.4
172.94672	1.0
173.09637	7.8
173.13301	4.8
177.12747	2.5
181.12209	6.3
184.07367	31.8
184.09010	1.5
187.14799	2.1
191.10672	9.4
201.16354	1.3
209.11737	12.7
223.13313	17.7
227.12761	9.7
241.14357	30.6
243.21228	2.1
259.20767	1.7
261.22165	9.2
265.14352	7.8
267.15958	1.7
283.15436	18.7
297.17029	2.1
299.23715	1.9
315.18054	45.1
317.24817	3.2
333.24307	2.4
335.25827	100.0
336.26117	2.8
358.59067	1.0
433.30923	1.6
451.32077	3.4
469.32956	2.2
515.37219	1.4
525.35760	9.9
543.36823	60.2
544.37207	3.9
557.38220	1.9
561.37946	1.7
571.41895	1.1
575.39484	90.4
576.39288	5.0
600.77966	1.2
610.44977	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29867	1.6
55.01876	12.9
55.05283	1.9
55.05515	24.4
57.03444	15.1
57.07079	1.5
59.04997	2.8
59.06860	1.4
60.50312	1.4
61.02921	4.9
65.03932	2.9
67.05505	52.2
69.03422	6.1
69.07068	20.9
70.58499	1.9
70.58844	2.5
71.01353	1.3
71.04993	5.8
73.02918	2.6
79.05496	51.5
81.03426	24.1
81.07056	69.4
83.01350	7.4
83.04981	19.6
83.08627	19.6
85.02902	8.1
85.06530	5.1
91.05482	46.7
93.07045	61.4
94.07321	1.6
95.04963	11.2
95.08612	24.6
97.02890	5.9
97.06545	14.4
97.10151	4.4
99.04458	3.3
99.08086	2.6
99.15059	1.3
103.05470	2.8
105.04518	1.6
105.07034	34.3
107.04958	15.0
107.08591	34.6
109.06509	8.5
109.10148	15.1
111.04445	4.1
111.08065	6.0
117.07018	17.4
119.08585	23.4
121.06478	8.0
121.10135	16.7
123.08080	10.7
123.11665	3.1
125.06037	2.0
125.09653	4.1
127.03960	2.3
127.07430	1.4
129.05446	1.7
129.07008	7.4
130.07803	1.8
131.08559	18.4
133.06476	1.5
133.10130	27.0
135.08057	5.6
135.11688	20.2
137.09627	3.7
139.07559	2.5
143.08568	4.4
145.10126	23.0
147.08070	2.3
147.11652	8.0
149.06050	1.8
149.09607	7.2
149.13240	8.4
151.11208	3.6
153.12711	2.6
155.08549	3.1
157.10135	5.8
159.11684	8.5
161.09624	2.3
161.13222	2.5
163.11180	22.2
165.12724	1.8
169.10152	1.9
171.11714	3.3
173.04488	1.8
173.09624	2.2
173.13231	2.0
175.11238	4.3
177.12784	3.2
181.12231	4.0
184.07333	2.1
191.10634	3.9
193.12257	6.3
195.13826	4.9
209.11748	5.5
211.13243	9.7
227.12753	8.1
229.19598	1.7
237.83290	1.5
253.14388	9.8
255.15791	8.4
257.18945	3.6
267.15985	4.1
269.17471	25.1
273.18555	6.6
275.20029	16.7
283.15408	65.1
285.17053	7.3
291.19547	7.8
349.23703	11.2
365.23273	5.0
437.25497	2.0
445.25833	2.6
450.25714	1.6
459.27185	3.0
463.26974	25.3
477.28461	100.0
478.28879	4.3
481.27853	3.1
539.33240	1.8
557.34717	21.2
575.35876	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	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	19.4
55.05510	49.6
56.71291	2.7
57.03440	22.8
59.04990	6.5
61.02925	6.1
65.03934	4.1
67.05508	75.9
69.03435	17.5
69.07069	33.7
71.04982	11.6
72.66451	2.9
73.02922	3.5
76.03339	2.4
77.03945	2.9
79.05495	83.1
81.03417	39.8
81.06599	4.7
81.07059	93.1
83.01345	10.8
83.04984	28.9
83.08628	26.6
85.02915	16.5
85.74515	2.9
91.05482	70.2
91.06953	2.5
93.06490	5.3
93.07045	81.3
93.83556	2.3
95.04968	21.8
95.08614	34.3
97.02907	13.9
97.06534	18.1
97.10157	14.6
99.04448	4.2
99.08115	3.3
105.04539	4.1
105.07030	48.9
107.04962	24.3
107.08591	47.2
109.02855	5.1
109.06527	14.1
109.10152	20.5
111.04440	7.7
111.08073	11.7
117.07028	25.6
119.08581	36.6
121.06504	10.7
121.10168	21.2
123.08072	13.9
123.11729	4.2
125.05972	4.1
125.09624	8.1
129.07008	10.8
130.07784	4.1
131.08557	23.5
133.06540	3.2
133.10141	24.8
135.08046	8.5
135.11697	19.4
137.09601	6.4
143.08562	5.6
145.09241	2.8
145.10152	32.5
147.08047	8.4
147.11710	17.8
149.09639	18.4
149.13277	6.6
151.11174	6.5
153.12743	3.4
155.43600	3.3
157.10118	8.6
159.11688	12.9
163.11197	41.9
165.12830	3.5
173.09669	5.1
173.13257	6.2
175.11177	8.9
177.12697	6.4
179.14287	4.4
181.12212	8.5
183.11641	3.0
184.07330	3.7
189.11200	4.0
191.10724	3.4
193.12241	16.7
195.13828	4.2
198.71809	3.0
202.32785	2.7
209.11757	9.2
211.13307	24.0
223.13322	6.3
227.12775	14.4
228.98128	3.0
239.17947	4.9
253.14339	7.3
255.15871	10.8
257.19022	7.5
263.77744	2.6
265.93976	2.7
267.16037	13.7
269.17499	21.1
273.18436	6.9
275.20114	29.1
283.15387	92.9
285.17090	15.4
291.19550	39.5
349.23679	21.5
365.23334	20.3
413.21301	4.0
432.30316	3.0
459.26953	3.8
461.28760	3.2
463.26926	25.6
477.28513	100.0
512.63202	3.3
539.33453	3.8
557.34821	37.9
575.35858	30.7
759.88721	3.0
784.78601	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	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.8
55.05279	3.5
55.05516	45.0
57.03439	17.9
57.07064	6.3
59.04977	2.7
61.02930	13.7
61.59680	1.9
65.03929	6.4
65.89788	2.1
67.05510	69.2
69.03423	12.6
69.07076	26.3
71.01334	3.2
71.04992	7.6
71.08630	2.3
73.02904	6.1
77.03926	2.6
79.05499	81.3
80.05811	2.5
81.03416	31.2
81.07059	82.7
83.01341	13.5
83.04989	31.9
83.08618	25.8
85.02909	16.5
85.06543	5.1
91.03954	4.6
91.05484	84.4
91.34109	2.1
93.07050	83.4
93.07636	5.0
94.07391	2.0
94.71753	2.0
95.04984	25.0
95.08612	42.0
97.02898	15.0
97.06538	18.6
97.10160	9.5
98.21561	4.5
99.04469	4.1
99.08076	7.7
102.00645	2.2
103.05497	5.6
105.07037	83.3
106.28374	2.1
107.04977	19.5
107.08597	49.6
109.06538	13.6
109.10162	14.4
111.04455	6.9
111.08065	8.8
111.11699	2.1
115.05428	3.8
117.07013	31.2
119.07818	3.8
119.08592	57.1
121.06504	9.0
121.10139	26.1
123.08086	15.7
123.11731	3.9
124.96415	2.1
125.06004	3.9
125.09583	6.5
127.03894	4.7
128.06213	2.5
129.05505	5.5
129.07050	10.4
130.07759	2.5
131.08582	30.1
133.10139	43.6
135.08058	8.7
135.11708	31.2
137.09605	4.5
139.07486	2.4
141.06985	5.1
143.08575	8.0
145.10132	42.4
147.08078	4.0
147.11700	29.6
149.09650	11.5
149.13263	12.4
153.12740	4.1
155.08540	5.5
157.10129	7.3
159.11703	22.8
161.13275	15.7
163.11198	45.9
163.14903	3.4
169.10130	3.2
171.11682	14.8
173.09621	6.7
173.13287	10.0
175.14816	8.8
177.12778	3.1
179.14366	3.9
181.12263	7.3
183.11752	3.9
184.07324	8.7
185.13232	7.3
189.11281	4.3
191.10698	5.1
193.12196	2.9
195.13800	5.4
197.13306	3.0
199.14893	4.8
209.11736	18.5
227.12775	12.9
231.21140	3.2
233.19336	2.3
241.19548	13.9
253.14424	2.9
257.19022	6.9
259.20621	36.5
260.21042	3.5
267.15948	2.5
269.17352	11.4
275.20062	18.3
283.15408	100.0
284.15665	4.8
293.21063	6.1
297.22266	2.6
315.23288	3.5
333.24255	28.3
349.23810	11.4
431.29697	2.5
449.30417	3.4
477.28549	44.0
478.28882	3.0
489.28482	2.6
523.33820	2.4
541.35321	33.4
557.34967	4.8
559.36096	6.8
575.35297	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	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.1
55.05510	19.3
57.03441	10.8
57.07079	1.1
59.04997	1.0
60.08117	1.1
61.02943	1.8
62.16604	0.9
63.01590	0.9
65.03924	1.6
67.05507	58.1
69.03433	7.5
69.06744	1.0
69.07071	15.9
71.04984	6.6
71.22691	1.0
71.23013	1.7
77.03908	0.8
78.25530	0.9
79.05494	43.5
81.03420	43.7
81.07056	59.6
82.07388	1.4
83.04511	1.1
83.04983	16.9
83.08619	17.6
85.02904	12.7
85.06544	6.5
86.09697	2.7
91.03974	1.5
91.05483	62.8
93.07041	38.5
95.04970	24.3
95.08611	19.7
97.02887	3.3
97.06525	6.9
97.10192	5.7
99.04446	2.6
99.08071	1.6
101.06010	1.6
103.05450	1.6
105.04536	1.3
105.07031	55.1
107.04969	11.4
107.07880	2.0
107.08591	33.4
109.06532	10.8
109.10159	38.8
111.04446	1.8
111.08080	8.4
113.05995	2.9
115.05448	2.7
115.07526	1.6
117.07027	8.3
119.04946	1.7
119.08584	24.9
121.06528	7.1
121.10145	10.2
123.04408	1.3
123.08093	5.0
123.11674	6.1
124.99973	2.4
125.05945	1.2
125.09599	2.6
126.69088	0.9
127.07534	2.9
128.06218	2.3
129.07011	12.0
131.08568	20.2
133.06464	6.4
133.10135	60.4
134.10411	1.0
135.08052	7.7
135.11694	6.0
137.05954	1.0
137.09598	3.3
141.06995	1.4
142.07755	3.4
143.08565	5.3
145.06439	1.2
145.10149	8.4
146.07225	1.3
147.08041	6.6
147.11705	12.7
149.09618	10.9
151.11188	24.3
153.01785	1.6
157.10121	10.7
159.08049	2.0
159.11658	3.6
161.09589	7.1
161.13304	1.7
163.11182	3.3
165.08952	1.0
165.12709	3.0
169.10149	1.3
169.12195	5.7
171.11697	3.3
173.09505	1.4
175.11186	11.9
177.09067	2.3
179.10641	2.3
181.12192	1.1
183.11575	1.0
184.07312	10.7
185.13287	1.6
189.12747	2.0
191.10670	1.0
193.12245	29.4
197.11630	1.2
205.12428	1.0
207.13870	1.0
209.11801	1.3
211.13292	42.0
211.15253	2.2
212.13504	1.2
215.12767	3.2
223.13124	1.4
227.12877	1.7
245.18962	4.3
251.12828	4.1
253.14354	100.0
254.14676	2.9
255.17484	2.4
263.20074	3.4
267.15945	10.6
269.17542	1.1
271.15460	2.7
273.18488	22.5
275.20135	2.3
283.15320	2.6
285.16946	27.2
291.19531	25.5
306.02255	1.0
309.20621	1.4
329.20975	1.1
333.24106	1.4
347.22205	8.4
365.23224	26.1
366.23441	1.5
415.53046	1.1
445.25687	3.7
459.27792	1.1
463.26938	13.7
477.28134	4.2
481.27975	7.4
495.29327	1.1
525.35498	1.8
539.33826	2.2
543.36517	3.1
557.27063	1.5
557.34753	16.3
575.35742	39.8
576.35852	2.2
773.41089	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	772.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.4
55.05519	37.4
57.03444	25.3
59.05008	21.8
65.03938	4.5
67.05512	100.0
69.03437	9.6
69.07068	12.5
71.05000	18.4
71.32491	5.1
79.05499	48.9
81.03428	95.2
81.07069	46.8
83.04983	20.4
83.08632	36.8
85.02896	7.2
85.06556	7.8
87.04475	32.1
91.05486	43.7
93.07070	30.4
95.04983	38.4
95.08623	23.4
97.02891	11.4
97.06532	11.8
97.10172	16.3
99.04465	7.7
101.54250	2.5
105.07039	28.5
106.62698	2.4
107.04967	21.0
107.08603	24.0
109.02908	3.5
109.06520	7.8
109.10165	59.9
111.04451	9.8
111.08114	11.6
113.06042	2.5
117.07016	11.2
119.08578	25.6
120.69751	2.2
121.02859	2.6
121.06512	10.7
121.09439	2.9
121.10174	27.7
123.04435	6.0
123.08046	4.7
125.09668	13.3
129.07025	18.1
131.05002	3.6
131.08575	24.5
133.06503	8.3
133.10191	15.0
135.04410	5.3
135.08049	7.8
135.11700	9.2
137.06044	3.1
137.09604	5.6
142.07738	3.1
143.08556	4.6
145.06531	3.1
145.10152	9.2
147.04402	4.5
147.08046	3.5
147.11708	17.5
149.09622	21.9
149.73119	2.5
153.09114	5.7
153.12729	10.1
155.08585	4.0
155.10672	7.5
155.65031	2.3
157.06522	2.6
157.10187	16.6
159.08092	4.1
161.09537	3.0
163.03905	7.9
163.07486	2.7
163.11174	15.9
165.12730	3.3
167.10715	4.1
168.33484	2.2
171.11662	2.8
173.05974	2.9
173.09674	3.9
173.11720	14.0
175.11205	19.4
181.12286	5.6
183.11714	2.9
185.13303	5.2
189.09106	2.9
189.11243	6.3
189.12764	2.5
191.10678	7.0
193.12268	60.6
195.11765	3.4
199.13275	10.0
201.12650	3.5
205.12201	3.1
209.11772	14.3
211.13329	38.6
219.13879	2.4
223.13358	4.0
225.14929	7.6
227.12746	15.6
229.12206	4.0
229.14374	46.3
231.13763	4.6
235.13335	6.6
247.13351	9.6
249.14738	13.2
259.13330	3.5
263.16275	2.7
267.15961	66.2
273.14896	3.0
283.15582	11.7
301.14423	2.6
315.18045	5.6
332.80420	2.3
337.21613	4.9
355.22653	5.7
365.21136	9.3
373.23730	2.8
383.22189	22.7
385.23648	2.2
401.23190	15.9
409.26028	2.7
421.25772	30.7
433.25558	3.6
447.27374	3.2
457.25980	3.4
463.27039	2.3
475.27240	19.2
489.28317	3.0
493.27859	5.8
504.83539	3.0
507.29715	16.1
508.29999	2.9
525.30688	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	772.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.4
55.05509	36.4
57.03445	27.1
59.04998	25.5
61.02911	3.9
65.03937	4.2
67.05506	96.6
68.86190	2.4
69.03419	8.3
69.07064	15.6
70.11641	5.4
70.12039	6.0
71.04988	22.2
75.54489	3.2
79.05491	48.4
81.03419	100.0
81.07061	55.1
83.04980	18.9
83.08620	30.9
85.02896	7.0
85.06538	7.3
87.04474	28.0
91.04928	3.2
91.05483	55.7
93.07043	39.0
95.04964	44.5
95.08615	23.0
97.02884	8.5
97.06535	10.0
97.10170	20.2
98.20850	4.6
99.04466	12.7
99.08060	3.8
105.07030	31.1
107.04948	24.1
107.08606	33.3
109.06503	11.1
109.10159	56.6
111.04445	14.9
111.08080	16.6
117.06979	11.5
119.08588	30.9
121.06509	13.1
121.10133	22.3
123.04455	6.1
123.08100	7.5
125.09641	15.7
127.03913	2.6
127.12560	2.9
129.07018	14.9
129.25900	2.5
131.04947	3.1
131.08588	24.9
133.06464	8.5
133.10123	13.5
135.04420	6.9
135.08046	4.6
135.11684	10.5
137.05989	4.4
137.09627	4.8
142.07698	3.4
145.06447	4.9
145.10078	9.7
147.04401	4.5
147.08057	6.4
147.11678	19.3
149.09633	26.7
153.01799	6.6
153.09039	6.8
153.12727	11.3
155.10663	5.3
157.10141	23.3
159.11641	4.0
161.06024	4.6
163.11206	18.0
165.12730	5.2
167.10680	3.1
171.11684	3.3
173.09599	4.6
173.11678	7.7
175.11194	21.6
178.76996	2.7
181.10728	2.8
181.12280	10.7
184.07379	4.2
185.13333	3.9
187.11208	2.8
189.09044	2.7
189.11223	12.0
191.10732	6.7
193.12259	58.4
197.15353	2.8
199.13295	7.4
203.14316	2.9
205.12129	3.1
209.11734	15.3
211.13292	52.3
213.12596	3.0
217.14305	2.8
223.13239	5.6
225.14738	14.4
227.12717	24.8
229.12291	3.8
229.14337	36.8
231.13821	5.8
232.00424	3.3
235.13231	5.3
241.14407	3.2
247.13347	10.0
249.14896	19.7
259.13132	4.8
267.15936	80.1
273.14868	3.1
283.15445	15.7
301.14359	3.1
337.21533	4.1
355.22574	8.7
365.21133	17.5
373.23578	9.3
383.22174	30.0
401.23276	22.6
409.25931	3.4
415.24652	3.4
421.25769	33.3
433.25589	7.6
447.27521	7.4
457.25671	9.2
475.27084	28.5
489.28116	4.4
493.27847	10.7
507.29578	23.0
525.30408	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	2.4
55.05433	9.3
55.05722	1.7
57.03362	4.0
57.07021	1.5
61.02845	11.8
61.03181	1.6
65.03880	1.6
65.46394	0.6
67.05418	19.9
67.05814	2.4
68.34126	0.8
69.03340	7.5
69.06981	9.9
69.07382	1.1
71.01291	1.2
71.04926	1.6
73.02827	7.5
73.03265	1.5
77.36411	0.7
79.05401	14.7
79.05898	1.5
81.03318	4.6
81.06965	19.8
81.07467	1.5
83.04921	1.6
83.08521	6.3
85.02805	11.2
85.06480	1.5
86.09627	1.2
87.04382	0.9
91.03853	6.6
91.05378	15.9
93.06944	17.3
93.07568	1.2
95.04868	2.7
95.08505	17.8
97.02894	10.4
97.03464	0.9
97.06501	1.2
97.10072	3.3
98.21510	2.1
99.04402	1.6
99.07990	0.8
101.02292	1.6
105.04439	0.7
105.07027	13.5
105.29099	0.6
107.04865	1.6
107.08595	10.8
109.02779	1.7
109.06408	1.3
109.10146	7.2
111.07992	1.3
115.03870	0.9
115.05373	1.7
116.06226	0.7
117.07030	7.1
119.08590	10.9
121.10149	6.5
123.07986	1.0
123.11701	1.5
124.99949	0.9
125.09487	2.2
127.03793	2.7
128.06108	2.1
129.07010	9.2
131.08575	15.0
133.06342	0.7
133.10136	7.9
135.08014	1.2
135.11688	4.1
137.09612	1.0
137.13197	1.4
141.06995	4.9
142.07622	2.5
143.08569	12.9
144.09306	0.7
145.10129	10.7
147.07797	0.9
147.11682	5.6
149.13142	2.6
153.06914	1.6
154.07718	1.1
155.08551	10.2
156.09215	0.8
157.10127	11.9
159.11693	9.8
161.13246	3.2
163.14783	1.2
165.06912	1.6
167.08589	5.0
168.09181	2.2
169.10120	12.5
170.10808	1.3
171.11707	12.0
173.13245	4.7
175.11090	0.8
175.14722	2.0
179.08472	3.4
181.10139	7.5
182.10796	1.4
183.10092	0.8
183.11684	12.7
184.07402	4.8
185.11696	0.9
185.13234	7.8
187.14870	3.8
189.16327	0.8
193.10109	3.7
193.41534	0.7
194.10583	0.7
195.11684	7.3
197.09541	0.8
197.11794	0.9
197.13257	9.3
199.14806	4.5
201.16295	1.4
203.17926	0.7
205.10043	1.6
207.11571	3.1
208.12360	1.1
209.13275	8.4
210.14037	1.2
211.13046	0.8
211.14793	6.5
213.16426	3.8
221.13300	3.5
221.15106	0.7
223.14819	4.9
224.15274	0.9
225.16350	4.5
227.17804	2.5
229.30548	0.9
233.13008	1.7
235.14684	2.1
237.16333	3.5
239.17834	3.0
241.19499	1.2
247.14754	1.1
249.16333	1.6
251.17860	2.2
253.19591	1.2
257.18958	0.8
265.19388	2.3
285.21811	0.8
295.20377	1.0
295.24039	0.8
297.21994	0.9
309.22104	0.8
323.23697	1.2
335.23459	1.0
337.25040	1.8
349.25192	1.0
351.26758	1.6
377.28574	0.9
379.29880	0.9
381.27750	0.9
383.29434	0.9
391.29910	1.1
473.32477	0.8
475.34308	1.1
501.35437	1.2
513.36230	0.9
515.37769	1.9
517.40564	5.7
521.36005	0.8
527.37207	1.2
535.41718	3.8
539.37640	1.6
541.39063	1.8
545.00311	0.7
545.38239	1.9
551.41400	0.8
553.38843	1.2
555.41675	1.0
567.40155	0.9
591.44293	6.6
607.43213	1.9
609.45129	100.0
610.45471	6.4
621.45251	1.5
633.45233	1.0
651.46417	1.1
699.46954	1.6
717.46979	1.6
735.48505	2.1
753.49664	1.3
771.50397	22.4
772.50970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	1.9
55.02031	1.1
55.05423	10.3
55.05717	2.3
57.03345	4.3
57.07000	1.3
61.02832	14.0
61.03183	2.9
65.03883	1.1
67.05406	19.0
67.05809	3.0
69.03329	6.7
69.03725	1.0
69.06970	7.8
69.07374	1.0
69.62547	2.0
69.62954	1.4
71.01283	1.1
71.04885	1.9
71.56160	0.6
73.02812	8.4
77.03851	0.7
79.05385	13.4
79.05893	1.8
81.03307	3.6
81.06947	19.0
81.07463	2.4
83.04907	1.3
83.08506	4.8
84.42628	0.6
85.02792	12.6
85.03358	1.3
85.06454	1.4
91.03839	7.0
91.05362	13.2
91.05989	1.4
93.06925	14.7
93.07562	1.2
95.04861	1.9
95.05415	0.6
95.08487	15.9
95.09155	1.3
97.02773	9.8
97.06419	2.0
97.10056	2.0
99.04372	1.0
101.02260	2.2
105.06908	12.2
107.04864	1.0
107.08472	10.2
109.02834	0.9
109.06467	0.9
109.10033	7.0
111.07979	0.8
115.05386	1.4
117.07033	7.3
117.07772	1.3
119.08580	12.0
121.06409	1.0
121.10136	6.7
123.08002	1.0
123.11581	1.7
125.09570	1.1
127.03783	2.6
128.06230	2.8
129.07018	8.8
131.08568	11.3
133.10136	8.5
135.07925	1.1
135.11708	4.5
137.13150	1.1
141.07021	5.6
141.58481	0.6
142.07790	3.2
143.08571	11.1
145.04854	1.1
145.10141	10.5
147.11700	4.7
149.09476	0.9
149.13106	1.8
151.11026	0.7
153.06822	1.6
154.07709	1.0
155.08565	9.7
156.09238	1.4
157.10126	10.6
158.10641	0.7
159.11697	8.7
161.13220	3.0
163.11037	0.9
163.14709	1.0
165.06917	1.2
166.07692	0.7
167.08543	5.0
168.09314	1.5
169.10144	12.4
171.11702	10.3
173.13254	5.9
175.14685	1.9
179.08397	2.6
180.09167	1.1
181.10130	6.4
182.10832	1.2
183.11710	12.4
184.07251	1.2
185.13260	7.8
187.14801	3.4
189.16333	1.0
193.10178	3.0
195.11728	7.0
196.12253	0.9
197.13272	8.9
199.13254	0.9
199.14795	4.7
201.16312	1.4
203.17909	0.7
205.10068	1.3
207.11786	3.0
209.13287	5.8
211.13133	0.6
211.14810	6.3
213.16435	2.9
215.17886	0.8
219.11552	1.0
221.13112	2.1
223.14919	4.7
224.15092	0.7
225.16319	4.0
227.17851	1.9
233.13118	1.1
235.14801	1.8
237.16417	2.8
239.17873	2.5
241.19592	1.1
249.16238	1.7
251.17818	1.5
253.19534	1.0
263.17871	1.1
265.19388	0.7
275.76569	0.7
295.20520	0.9
297.21811	0.9
299.19965	0.6
315.17975	0.8
323.23557	1.3
325.25110	0.9
335.26184	0.8
337.25168	1.6
339.23035	0.6
339.26614	0.9
341.24930	0.8
349.25089	1.4
351.26849	1.1
355.26086	0.7
363.26633	0.9
365.28427	0.9
367.26141	1.0
377.28384	0.9
379.30026	1.1
381.27917	0.9
383.29398	0.7
391.30032	1.0
393.31604	1.0
421.30750	0.9
447.32178	0.9
449.34213	0.6
473.32675	0.9
475.34695	0.9
499.33133	0.7
499.39883	1.2
501.35825	0.8
515.37750	1.3
517.40448	6.5
517.47345	1.1
521.35437	1.0
527.37878	0.6
529.40363	0.7
535.41943	3.3
539.37158	1.7
541.39069	1.0
553.40143	1.0
555.42993	0.6
575.39709	1.1
591.44177	6.2
607.43597	1.9
609.45135	100.0
610.45605	6.7
611.46472	0.9
621.44867	1.1
633.45563	0.8
651.45953	1.0
717.46948	0.8
735.48718	1.9
753.49530	1.9
771.50415	19.6
772.50494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.7
55.05518	33.2
57.03430	13.3
57.07064	6.0
61.02916	3.6
65.03944	7.4
67.05511	99.0
68.17411	3.4
69.03435	29.9
69.07079	28.5
69.41903	5.7
69.42316	18.9
71.04995	7.3
74.78354	3.5
77.03931	3.8
79.05497	79.8
81.03429	61.5
81.07063	100.0
83.04982	11.9
83.08616	14.6
85.02882	17.3
85.06580	2.9
86.09703	5.3
91.05492	80.2
93.07051	77.1
95.04994	19.5
95.08617	65.1
97.02904	20.0
97.06545	11.3
97.10201	4.9
99.04424	6.6
99.08095	4.3
105.07041	57.4
107.04977	6.9
107.08598	47.6
109.02874	10.8
109.06519	9.4
109.10159	29.4
111.04453	4.8
111.08094	4.8
115.05442	7.2
117.07041	32.6
119.08588	42.2
121.06492	4.5
121.10146	33.0
123.08092	6.4
123.11726	9.7
124.99957	3.4
127.03920	12.2
127.59466	3.0
128.06210	5.4
129.07022	12.7
130.07802	4.2
131.08577	37.5
133.10132	31.5
133.80467	3.1
135.08083	12.1
135.11684	16.7
137.09633	5.6
141.06999	6.6
142.07764	3.4
143.08557	17.5
145.10124	33.3
147.08044	4.7
147.11664	23.9
149.09599	7.9
149.13251	9.0
151.11150	6.2
153.09097	3.7
155.08540	8.9
157.10112	13.2
159.08011	3.3
159.11685	25.1
161.09566	4.4
161.13341	10.0
163.11176	6.7
164.70992	3.1
165.12759	3.5
167.08641	4.0
169.10149	8.5
171.11691	11.2
173.04463	24.2
173.09601	3.8
173.13286	11.5
175.11201	4.0
175.14839	4.2
177.12750	3.6
181.10144	4.6
183.11703	10.4
184.07365	12.3
185.13345	4.0
195.13814	4.0
197.13286	5.5
199.14841	4.5
211.10985	3.1
211.14825	6.2
213.16417	3.5
219.17322	3.4
247.20474	4.6
257.19083	14.3
261.22134	5.1
275.20102	47.8
293.21301	4.7
331.22879	3.7
333.24472	3.3
335.25809	30.4
349.23822	15.1
369.24063	3.4
492.37372	3.4
493.27856	4.4
529.38635	5.0
534.70093	3.0
544.73639	3.0
545.38153	53.2
546.38208	5.5
609.45221	35.9
673.42700	10.2
753.49243	5.4
771.50958	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	771.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18376	0.8
66.29955	0.8
68.05033	0.9
69.30074	1.0
70.24568	1.5
70.24938	1.7
79.01845	3.0
82.06598	1.1
96.11046	0.9
105.07020	0.8
117.07029	3.4
127.03918	1.1
130.06563	2.0
143.03409	2.9
143.07283	2.8
144.08093	100.0
145.08423	1.3
150.09178	0.8
153.01843	31.5
153.02940	2.6
156.08041	1.3
158.09714	1.9
163.03893	0.9
167.07173	1.1
170.09669	2.3
178.08603	1.2
182.09686	1.8
182.11691	0.9
204.52676	0.9
208.11336	1.1
210.11249	3.3
225.13707	0.9
228.12355	2.9
234.12840	1.5
240.12314	2.2
278.11783	1.3
305.57571	0.9
353.18481	5.5
371.19678	99.2
372.19919	3.7
525.91095	0.9
629.29327	0.8
778.65381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.48709	0.1
57.29094	0.1
62.16598	0.1
62.21924	0.1
66.01081	0.1
66.21658	0.1
68.99791	0.1
69.03416	0.3
69.84009	0.2
69.84406	0.2
79.01855	7.7
81.03417	0.5
87.00832	0.1
95.01342	0.1
97.02896	1.5
107.01324	1.6
109.02896	0.8
123.00800	0.4
125.02349	3.5
127.03919	4.1
131.04932	0.2
143.03397	7.0
146.14703	0.1
153.01836	100.0
153.02898	6.9
154.02170	1.1
159.04425	0.4
177.05527	0.2
181.01349	0.1
183.02989	0.1
187.03868	0.2
192.93788	0.1
205.04936	0.5
215.03336	0.2
233.04437	1.3
243.02879	0.3
261.03967	1.2
279.04999	1.7
305.03009	1.0
449.06976	0.1
752.33972	0.1
771.11041	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57494	0.4
67.38403	0.4
69.17001	4.1
69.17407	1.0
81.03428	0.8
85.02911	0.6
101.00862	0.5
107.04958	1.7
120.56280	0.4
147.00549	1.4
151.03975	0.6
165.01639	3.1
185.04285	1.2
191.06900	0.8
203.05380	0.6
209.06581	0.8
217.04761	2.3
219.01550	0.6
233.03014	1.5
235.05824	18.1
241.05603	0.7
255.08389	4.4
295.06750	3.0
309.04742	0.5
337.07831	1.3
346.69159	0.4
397.11090	100.0
398.11444	2.7
415.00592	0.4
415.10858	0.9
416.15723	0.5
457.12210	0.5
457.61148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.5
55.05514	36.9
57.03421	15.0
57.07036	4.0
64.16493	3.4
65.03925	6.8
67.05505	94.0
69.03409	4.4
69.07070	26.9
71.04974	6.6
71.49596	3.8
71.94696	3.3
79.05492	82.2
80.75126	3.7
81.03422	30.4
81.06600	5.9
81.07056	100.0
83.04964	19.3
83.08632	20.7
85.02898	8.3
85.06519	6.1
86.09686	18.9
91.05484	83.7
93.07041	74.4
95.04964	24.9
95.08605	53.5
97.02876	6.2
97.06529	10.1
97.10178	11.0
98.20937	4.0
98.98455	4.0
105.07032	66.5
107.04957	16.8
107.08602	37.7
109.02865	7.7
109.06502	21.2
109.10164	29.4
111.08076	5.8
117.07005	27.6
119.08585	51.1
121.06490	7.8
121.10168	23.5
123.08015	4.8
123.11633	3.9
125.00000	10.1
125.09629	4.8
128.06187	5.4
129.06987	16.3
131.08556	35.7
133.06523	5.3
133.10143	32.9
135.08081	4.2
135.11691	19.3
137.05954	14.0
141.06982	4.9
142.07756	5.0
143.08569	16.9
145.10132	21.5
147.08054	4.4
147.11681	47.2
149.09599	8.9
149.13213	10.6
153.01833	19.7
155.08527	6.8
157.10112	17.8
159.11732	19.3
161.09523	6.2
161.13214	12.5
163.11119	10.3
165.12732	4.2
169.10109	9.2
171.11664	17.5
171.39412	3.8
173.13235	10.5
175.14783	5.6
177.12738	10.5
181.10155	5.8
183.11664	3.9
184.07332	41.3
185.13297	6.5
187.11160	3.6
189.12752	7.2
193.04854	5.5
195.11714	5.2
197.13229	5.1
199.14857	3.8
201.16159	3.8
207.13721	7.6
210.76802	4.1
211.13254	5.8
223.13225	18.9
227.12755	7.2
229.14296	9.9
231.90361	4.0
237.79538	3.7
241.19534	9.1
253.14308	5.2
257.18948	5.8
259.20554	22.1
259.22983	4.2
275.20105	24.5
281.17471	43.6
297.17047	17.1
307.43240	3.9
327.23169	4.7
333.24191	11.7
349.23886	21.7
367.24625	9.6
421.75623	4.1
439.92514	3.4
454.01202	3.7
463.31812	5.4
475.26529	7.5
509.05966	3.8
527.37512	7.2
537.36029	8.9
555.36865	66.2
556.37512	4.3
573.09210	4.7
573.38092	38.5
608.42950	5.3
611.42969	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.6
55.05271	2.1
55.05516	29.9
57.03439	13.7
57.07085	2.4
60.56957	1.6
62.68129	1.7
62.75814	1.6
63.52562	1.6
65.03928	5.1
65.47977	1.7
67.05508	91.5
69.03416	7.3
69.06731	2.4
69.07072	29.8
69.49258	6.1
69.49678	6.2
69.60826	1.6
71.01303	1.9
71.04986	6.1
77.03916	1.6
79.05495	100.0
81.03416	18.3
81.07058	79.4
82.07407	2.0
83.04979	18.3
83.08622	16.0
85.02913	3.8
85.06538	4.2
85.88176	1.6
86.09682	2.4
91.05481	83.7
93.07045	99.7
95.04961	23.6
95.08604	37.5
97.02875	3.8
97.06548	18.7
97.10150	8.3
99.04424	2.2
99.08042	1.7
103.05469	2.9
105.04512	4.0
105.07037	60.4
107.04961	12.7
107.07890	2.4
107.08601	42.9
109.02867	2.8
109.06516	7.3
109.10149	12.1
111.08083	4.8
115.05460	2.4
117.07019	22.4
119.08577	34.3
121.06509	6.7
121.10130	14.7
123.08051	7.0
123.11688	2.1
125.09650	4.0
127.03883	4.4
128.06186	4.0
129.07011	20.7
130.07756	2.8
131.08589	16.3
133.06517	2.7
133.10141	23.8
135.08017	5.1
135.11719	15.8
137.09599	3.9
143.08571	13.6
144.09123	1.7
145.10139	24.1
147.08022	4.2
147.11685	38.1
149.09639	9.0
149.13249	6.3
151.11189	4.3
155.08554	3.1
157.10100	3.4
159.11685	14.1
161.09607	4.1
161.13246	10.7
163.11195	10.8
169.10077	3.4
171.11678	26.2
173.13300	5.4
177.12843	2.0
179.10638	1.7
181.12195	1.8
184.07408	2.4
189.12721	11.9
207.13794	30.3
227.12776	9.3
239.18010	4.3
247.20580	2.3
253.14351	8.2
255.15851	4.1
257.18890	8.3
269.17517	11.8
273.18427	3.4
275.20074	25.2
281.17477	67.6
283.15421	6.7
291.19598	2.4
347.22049	2.2
349.23703	17.7
365.23224	3.2
367.24725	3.4
382.73920	2.0
435.27505	3.3
451.26871	5.1
461.28879	22.4
475.30597	90.8
476.30750	3.1
479.26111	2.1
555.36963	36.0
556.37329	2.0
573.35815	7.3
619.34961	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01772	1.3
55.01874	8.7
55.05510	28.6
57.03441	12.7
57.07061	2.2
61.02904	1.9
65.03933	5.0
67.05505	83.5
68.05829	1.9
69.03410	6.2
69.07069	25.2
69.37129	2.3
69.37537	9.8
70.88038	1.3
71.04978	5.5
71.08600	1.7
73.02894	2.6
77.03951	2.5
79.05493	96.6
80.05804	2.9
81.03418	15.4
81.07057	73.1
82.07371	1.7
82.45586	1.3
82.78220	1.5
83.04984	19.9
83.08612	14.8
85.02894	5.2
85.06528	6.1
87.04406	1.5
91.05483	89.7
92.05822	2.6
93.07044	100.0
94.07383	2.1
95.04968	24.7
95.08609	41.8
96.08945	1.5
97.02867	1.8
97.06524	14.4
97.10168	4.5
99.08084	2.9
103.05466	2.3
105.04498	3.8
105.07029	70.1
106.07386	3.5
107.04945	11.1
107.08597	37.2
109.02875	1.5
109.06502	7.4
109.10182	12.1
111.08073	5.4
113.09637	2.6
115.05412	4.1
117.07023	21.7
119.08582	45.3
120.08872	2.2
121.06483	5.5
121.10141	17.6
123.08054	8.6
123.11674	2.9
125.09638	4.4
127.03904	2.2
128.06206	5.7
129.05486	1.7
129.07004	22.4
130.07822	1.5
131.08574	19.3
133.06514	2.7
133.10127	29.0
134.10463	1.5
134.87282	1.5
135.08020	5.0
135.11705	9.5
137.09647	2.1
137.13278	1.6
142.07819	2.2
143.08572	17.2
145.06485	2.5
145.10127	22.6
147.08051	3.5
147.11682	51.3
149.09618	7.2
149.13220	9.6
151.11111	2.8
153.01839	2.9
155.08563	2.9
157.10072	5.5
159.11716	15.7
161.09579	5.8
161.13255	21.9
163.11179	4.5
169.10141	1.9
171.11687	35.7
173.13246	5.9
175.11151	2.1
175.14792	6.3
177.12709	4.3
179.14265	3.3
183.11633	3.0
184.07304	5.3
185.13261	3.6
187.14905	2.1
189.12766	12.8
195.13770	3.2
199.14775	4.1
207.13808	22.0
213.16342	2.0
227.12813	2.0
229.19487	2.2
231.21024	2.4
239.18033	1.8
241.19473	9.1
253.14290	3.3
257.18991	5.8
259.20605	21.3
261.22070	2.8
269.17526	8.2
275.20068	10.9
279.15891	8.4
281.17477	49.3
282.17801	3.6
293.21005	5.2
307.19046	1.7
315.23175	2.0
333.24283	18.3
335.25775	2.6
349.23712	6.2
447.32336	1.6
457.29648	2.2
475.30511	33.0
539.37360	27.1
555.36646	5.7
557.37909	5.9
573.37299	5.9
611.46344	4.0
770.47968	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	13.8
55.05272	2.1
55.05511	26.1
57.03440	13.3
59.04980	1.9
60.74351	1.6
65.03951	4.1
67.05507	89.9
69.03415	5.4
69.07069	27.0
71.04980	6.1
73.06581	1.9
76.30328	1.9
77.03896	1.8
79.05496	83.0
81.03425	16.4
81.07059	88.1
83.01328	3.6
83.04981	23.1
83.08625	17.8
85.02906	5.2
85.06551	8.2
86.09682	3.2
88.29302	1.7
91.04910	3.5
91.05485	73.7
93.07047	88.2
95.04967	23.1
95.08611	39.5
97.02880	3.0
97.06532	12.5
97.10164	5.2
98.20823	4.2
98.39539	1.8
99.04469	3.6
99.08093	2.0
103.05509	2.3
105.04517	3.3
105.07034	60.1
107.04965	13.1
107.07883	3.0
107.08595	48.0
109.06521	9.1
109.10155	34.4
111.08068	5.4
115.05438	2.8
116.89314	1.6
117.07009	17.0
119.08583	33.4
121.06515	10.7
121.10126	13.8
123.08093	8.9
123.11685	7.4
125.09613	3.2
127.03901	2.9
127.07581	2.5
127.74558	1.7
128.06233	2.0
129.07019	12.9
131.08578	15.7
133.06445	2.6
133.10135	52.0
135.08043	7.0
135.11679	13.4
143.08566	8.2
145.10136	20.0
147.08058	6.2
147.11688	27.6
149.09598	8.3
149.13257	9.2
151.11186	18.9
153.12733	3.1
157.10115	3.0
159.11699	9.1
161.09679	8.6
161.13249	9.7
163.11188	12.6
169.10104	4.0
169.12183	4.7
171.11697	16.5
173.09561	1.8
173.13274	5.5
175.11197	3.7
177.09027	1.8
177.12729	2.7
184.07333	3.1
187.11177	2.2
189.12735	7.0
195.13766	2.5
207.13809	19.8
209.11714	3.9
215.12883	2.4
227.12743	2.5
229.03830	1.7
245.19055	3.3
253.14368	90.3
254.14587	2.1
255.15823	4.8
257.19171	3.3
263.19943	3.0
267.15866	1.9
269.17468	13.4
273.18527	14.9
275.20132	16.0
281.17471	44.2
283.15393	29.4
291.19556	15.6
311.14685	2.0
327.07635	1.9
347.21973	4.3
349.23959	9.4
365.23233	15.6
367.24469	1.8
413.21600	1.8
461.12598	2.1
461.29031	22.3
475.30591	100.0
476.30673	2.9
479.26358	13.9
529.15100	1.8
555.37146	17.1
573.34070	35.7
594.49371	2.4
619.34760	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	770.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.5
55.05511	28.9
57.03440	10.9
57.07083	1.9
58.66092	0.8
59.04986	2.7
61.02918	2.9
63.82864	0.9
65.03952	2.3
67.05508	33.9
69.03425	9.7
69.07070	23.8
71.01346	1.4
71.04998	4.7
71.22536	1.6
73.02911	1.8
79.05499	35.0
79.77474	0.8
81.02990	1.4
81.03423	15.1
81.07061	30.1
83.01355	6.2
83.04979	11.1
83.08620	16.8
85.02901	4.8
85.06556	1.6
87.04469	1.0
91.05483	27.5
93.07047	33.8
95.01328	1.5
95.04973	11.8
95.08614	14.7
97.02901	14.0
97.06521	6.2
97.10167	11.3
99.04446	1.8
99.08059	1.0
103.05446	1.3
105.07044	21.1
107.04974	13.1
107.08591	20.7
109.02921	1.1
109.06534	7.2
109.10171	8.5
111.04475	2.2
111.08067	2.8
115.05450	1.3
116.06256	1.5
117.07011	11.9
119.08578	19.9
121.06522	5.8
121.10146	9.1
123.04420	1.7
123.08066	10.2
123.11726	0.9
125.09638	8.5
127.03921	1.0
128.06194	1.5
129.07028	5.7
130.07806	2.0
131.08582	11.7
133.06491	3.1
133.10124	8.2
135.08034	5.1
135.11697	10.4
137.09644	2.5
141.06932	1.1
143.08575	5.0
145.06483	1.7
145.10136	16.5
146.10545	1.0
147.08044	7.1
147.11699	2.8
149.09616	3.9
149.13278	1.6
151.11113	1.1
153.01805	1.6
153.09128	1.6
153.12772	2.6
155.08554	2.1
157.10153	2.8
159.08113	1.3
159.11685	2.9
161.09662	2.2
161.13312	0.9
163.11203	16.2
165.09102	2.5
169.12305	1.7
171.11766	1.7
173.09637	3.1
173.13287	1.9
175.11192	1.5
177.12871	1.7
179.10860	0.9
181.10155	1.1
181.12242	3.0
183.11710	2.1
184.46124	0.9
185.13290	1.1
189.11295	2.6
191.10684	3.0
193.12239	1.4
197.13281	1.2
205.12167	2.7
209.11617	5.1
211.13297	1.4
223.13271	17.7
227.12811	8.4
245.19008	1.7
249.14870	3.2
253.14348	3.8
260.36057	0.9
263.20020	1.5
267.15964	2.4
273.18518	15.0
275.20166	1.5
283.15393	69.5
284.15793	2.6
291.19550	100.0
292.19916	2.8
342.49976	0.9
347.22256	2.1
365.23230	44.4
396.63995	0.9
453.25021	1.8
464.46072	1.0
493.27936	3.9
505.28250	1.1
541.35175	3.9
555.32849	2.1
573.34259	83.8
574.34692	5.2
608.43707	4.0
770.48962	1.3
779.86969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	32.0
57.03437	15.6
57.07061	11.8
61.02921	4.5
62.01006	2.8
64.34963	2.8
65.03938	3.2
67.05509	62.2
69.07072	41.3
70.84820	7.0
71.05005	3.0
71.08607	3.9
79.05497	43.3
81.07060	71.7
83.08624	25.6
86.09708	4.0
89.24872	2.7
89.51360	3.5
91.05465	17.7
93.06505	3.5
93.07053	51.4
95.08612	60.1
97.06541	4.7
97.10169	17.1
105.07022	12.3
107.08589	25.3
109.10172	26.1
111.11707	2.9
117.07016	3.9
119.08566	6.9
121.10163	31.2
123.11688	12.4
131.08543	10.0
133.10144	7.5
135.11678	20.0
137.13289	4.5
139.43715	2.9
145.10094	7.1
147.11659	6.1
149.13272	11.8
159.11610	5.8
163.14825	7.8
173.13167	3.6
180.52034	3.4
184.07304	15.3
187.14764	3.9
195.00307	11.9
219.20981	3.3
221.83943	3.3
236.36894	2.8
237.22075	5.5
243.21027	9.9
257.51492	2.6
261.22150	33.7
269.08463	2.7
290.59100	3.0
309.24219	5.5
311.25815	100.0
312.26111	3.2
317.24765	8.9
335.25815	93.8
571.47052	37.6
589.47662	9.7
630.00708	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	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
55.05268	1.7
55.05514	20.9
57.03437	5.2
59.04971	1.2
65.03928	1.9
67.05508	39.4
69.03432	7.9
69.07066	21.6
70.60966	1.1
70.93772	2.7
71.01355	1.0
71.04985	2.5
71.08631	1.2
77.03915	1.1
79.05495	51.7
81.03426	9.1
81.03838	1.6
81.06596	1.8
81.07059	32.8
83.04984	10.5
83.08615	8.0
85.02900	1.9
85.06539	2.0
88.84962	0.9
91.04905	2.2
91.05483	43.6
93.07046	40.4
93.07643	1.8
93.31195	1.0
95.04973	13.0
95.08614	19.2
96.93420	0.9
97.02892	6.7
97.06532	4.4
97.10172	10.8
105.04499	1.5
105.07035	31.0
107.04959	7.5
107.08610	15.8
108.12728	0.9
109.02873	1.0
109.06521	5.0
109.10183	6.5
111.08061	2.3
115.05453	2.4
117.07010	9.1
119.04937	1.0
119.08589	22.0
121.06501	3.5
121.10156	4.3
123.08073	6.1
125.09664	7.0
128.06235	1.7
128.07845	1.0
129.07010	11.1
131.08585	8.8
133.06465	3.4
133.09433	0.9
133.10162	9.5
135.08047	3.0
135.11684	2.8
137.09674	1.2
141.07028	2.0
141.09123	1.3
143.08566	8.1
145.06566	1.3
145.10129	10.0
147.08066	6.7
147.11710	19.2
149.09599	2.6
149.13251	2.1
155.08536	1.2
157.10152	2.1
159.11687	2.9
160.43933	0.9
161.09637	3.6
161.13301	5.2
162.10333	1.2
163.11179	2.8
165.09157	1.6
169.10220	1.1
171.11693	13.7
175.11153	1.9
177.12744	2.1
179.14253	1.6
185.13226	1.2
189.11168	2.7
189.12793	5.0
195.11691	1.3
205.12218	1.3
207.13821	15.5
223.13274	13.4
227.12822	3.6
245.05299	1.1
249.14857	2.4
273.18457	13.0
275.20016	1.3
281.17502	52.6
291.19553	78.4
292.19958	2.1
347.22269	3.1
365.23215	29.0
420.49411	1.2
473.29190	3.2
541.33459	1.3
553.35730	2.1
571.36322	100.0
572.36725	5.6
607.43335	3.0
609.44489	2.7
769.48792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
55.05268	1.7
55.05514	20.9
57.03437	5.2
59.04971	1.2
65.03928	1.9
67.05508	39.4
69.03432	7.9
69.07066	21.6
70.60966	1.1
70.93772	2.7
71.01355	1.0
71.04985	2.5
71.08631	1.2
77.03915	1.1
79.05495	51.7
81.03426	9.1
81.03838	1.6
81.06596	1.8
81.07059	32.8
83.04984	10.5
83.08615	8.0
85.02900	1.9
85.06539	2.0
88.84962	0.9
91.04905	2.2
91.05483	43.6
93.07046	40.4
93.07643	1.8
93.31195	1.0
95.04973	13.0
95.08614	19.2
96.93420	0.9
97.02892	6.7
97.06532	4.4
97.10172	10.8
105.04499	1.5
105.07035	31.0
107.04959	7.5
107.08610	15.8
108.12728	0.9
109.02873	1.0
109.06521	5.0
109.10183	6.5
111.08061	2.3
115.05453	2.4
117.07010	9.1
119.04937	1.0
119.08589	22.0
121.06501	3.5
121.10156	4.3
123.08073	6.1
125.09664	7.0
128.06235	1.7
128.07845	1.0
129.07010	11.1
131.08585	8.8
133.06465	3.4
133.09433	0.9
133.10162	9.5
135.08047	3.0
135.11684	2.8
137.09674	1.2
141.07028	2.0
141.09123	1.3
143.08566	8.1
145.06566	1.3
145.10129	10.0
147.08066	6.7
147.11710	19.2
149.09599	2.6
149.13251	2.1
155.08536	1.2
157.10152	2.1
159.11687	2.9
160.43933	0.9
161.09637	3.6
161.13301	5.2
162.10333	1.2
163.11179	2.8
165.09157	1.6
169.10220	1.1
171.11693	13.7
175.11153	1.9
177.12744	2.1
179.14253	1.6
185.13226	1.2
189.11168	2.7
189.12793	5.0
195.11691	1.3
205.12218	1.3
207.13821	15.5
223.13274	13.4
227.12822	3.6
245.05299	1.1
249.14857	2.4
273.18457	13.0
275.20016	1.3
281.17502	52.6
291.19553	78.4
292.19958	2.1
347.22269	3.1
365.23215	29.0
420.49411	1.2
473.29190	3.2
541.33459	1.3
553.35730	2.1
571.36322	100.0
572.36725	5.6
607.43335	3.0
609.44489	2.7
769.48792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.5
67.05490	4.4
69.03430	6.2
69.20750	4.6
71.49049	7.4
79.01855	5.6
79.05514	25.6
81.03410	6.0
81.07044	16.2
85.02908	11.0
86.74283	4.6
91.05458	8.4
95.04978	31.5
95.08562	5.6
97.02911	10.5
105.07045	16.1
107.01346	4.5
107.04976	14.2
109.06519	29.9
111.08105	36.6
119.04989	5.1
122.07085	4.5
123.04449	9.0
123.08119	5.2
124.83302	5.0
125.02354	8.2
127.03933	48.0
133.06496	15.4
135.04384	10.2
137.05934	8.6
139.00307	5.6
143.03435	8.0
147.04379	4.9
151.03911	69.8
151.07550	13.6
153.01857	87.8
153.02954	7.3
153.05463	21.6
179.07039	85.2
193.04980	7.9
197.08116	100.0
211.06059	17.3
215.09193	56.2
218.79799	4.4
222.04602	4.7
287.01953	5.1
328.99026	6.8
359.74258	5.0
377.08261	7.7
407.00278	5.3
413.10715	24.5
418.52258	5.1
453.00995	96.9
454.00940	7.6
471.01855	7.5
475.17297	6.0
766.67914	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	766.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05513	0.5
56.05034	0.7
57.03435	0.5
57.07075	1.6
58.06331	0.2
58.06628	0.4
59.07383	0.2
60.08163	5.9
67.05501	1.1
67.77859	0.1
69.03440	0.2
69.07071	0.4
69.13470	1.1
69.13895	0.4
70.79510	0.1
71.07371	3.0
71.08643	1.1
75.07156	0.1
77.16200	0.1
77.37735	0.1
79.05488	0.8
81.03417	2.8
81.07059	1.2
83.04982	0.2
83.08619	1.2
85.10189	0.7
86.09707	28.0
87.10048	0.4
89.06006	0.2
91.05483	0.6
93.07070	0.6
95.04972	1.0
95.08601	1.1
97.02880	0.3
97.06524	0.2
97.10200	0.2
97.31431	0.1
98.98458	3.2
98.99055	0.3
104.10748	2.0
105.07019	0.6
107.04942	0.3
107.08604	0.3
108.82260	0.1
109.02890	0.2
109.06561	0.3
109.10157	0.6
111.08076	0.3
117.07027	0.1
119.08582	0.5
121.10124	0.3
123.11701	0.2
125.00005	19.3
127.03923	0.2
129.07004	0.3
131.08559	0.3
133.10106	0.3
136.01054	0.1
145.10121	0.2
147.08057	0.2
147.11708	0.3
149.09605	0.2
157.10133	0.4
160.11272	0.2
175.11203	0.5
184.07341	100.0
185.07730	1.0
193.12234	1.1
204.75687	0.1
235.13239	0.3
239.23680	0.4
258.08920	0.2
259.13226	0.2
267.15909	3.7
309.17108	0.2
313.27383	3.9
314.27591	0.2
442.39612	0.2
493.17044	0.6
505.38947	2.2
535.41821	0.2
539.28387	0.4
716.48645	7.0
717.47778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
65.03926	2.8
67.05494	1.9
69.03413	5.4
69.77950	7.1
69.78371	3.5
73.82450	1.4
79.05477	3.5
81.03387	2.7
85.02898	8.5
85.11279	1.9
91.05451	5.1
95.04932	2.5
97.02886	2.6
103.05481	2.0
105.07047	2.6
107.04929	5.9
108.61007	1.5
110.03654	1.9
119.04916	3.1
121.02842	2.1
121.06503	2.8
125.06000	2.2
128.06238	1.7
129.06996	3.8
131.04892	4.2
133.02832	4.6
135.08023	1.7
137.05991	20.3
145.06424	2.1
147.04359	4.7
151.07553	8.5
153.01884	3.2
153.05423	3.5
157.06444	2.8
161.05966	7.5
163.07515	6.2
167.07040	21.6
175.07570	5.5
177.05478	3.2
177.09032	5.5
178.09813	1.8
179.07059	4.6
181.05000	15.2
181.06447	3.6
181.08575	7.0
189.09048	5.7
191.07022	2.3
193.08655	3.5
195.10132	4.1
197.09584	1.9
203.06944	1.8
206.07451	2.1
209.07939	2.9
211.07533	1.9
219.10172	2.2
221.09660	4.1
223.07561	2.3
229.08803	1.7
238.09834	2.5
239.07021	2.6
240.07860	3.3
249.09120	4.5
251.07030	3.0
252.07736	3.0
253.08636	6.7
253.12190	2.3
255.06436	2.3
255.10109	3.4
257.08090	2.6
265.08585	3.4
266.09351	2.6
267.10156	4.5
268.07544	1.8
269.08389	2.3
272.10837	1.8
277.08728	3.1
281.08322	3.2
281.11707	4.9
283.09683	6.4
285.07794	2.5
285.11151	3.3
295.09708	3.8
298.08456	2.7
299.12790	2.5
300.09766	8.1
309.11142	4.7
311.12769	2.6
313.10632	29.9
313.14340	25.1
315.12039	2.5
321.11166	2.9
325.10764	2.9
326.11566	3.3
327.12329	14.9
330.38831	1.9
331.15417	8.2
339.12411	11.8
340.12894	2.3
341.13861	21.7
343.15359	3.1
345.16818	2.4
357.13074	3.1
359.14886	100.0
360.15237	2.9
361.16336	14.8
367.15332	3.6
371.14893	23.7
373.16571	9.4
385.16235	3.1
397.16562	2.3
401.15677	2.7
509.21628	7.3
521.21570	8.8
530.87988	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53170	2.4
68.70493	2.8
68.70876	2.6
71.08565	2.9
71.48248	3.9
76.64954	2.5
79.05486	10.2
95.04969	32.5
97.02898	4.3
103.05444	3.1
107.04963	61.8
109.02892	12.9
109.06563	2.5
119.04999	3.0
121.06488	4.6
123.04427	7.8
125.02354	10.1
133.02890	3.2
136.41504	2.5
149.05984	7.9
151.03912	100.0
151.49521	2.7
152.04272	4.5
153.05484	6.1
163.95761	2.7
177.05473	10.3
193.05077	4.2
195.06522	23.9
211.06015	15.6
213.07596	27.5
229.07051	4.4
362.35117	3.1
385.98904	2.9
521.67157	3.2
763.35333	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	764.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05039	0.8
57.07075	0.9
58.06617	0.4
59.07385	0.2
60.08162	5.1
67.05517	1.0
69.03423	0.2
69.07058	0.6
69.65828	0.8
71.07374	3.2
71.08629	0.4
79.05505	0.7
81.03426	1.0
81.07056	1.3
83.08611	0.4
83.79311	0.2
85.10204	0.2
86.09706	28.4
87.10032	0.3
91.05470	0.6
93.07047	0.7
95.04971	0.3
95.08611	0.7
97.10194	0.2
98.98461	3.1
104.10748	1.6
105.07024	0.5
107.04957	0.2
107.08581	0.4
109.06557	0.2
109.10143	0.4
119.08601	0.5
121.06509	0.2
121.10184	0.2
125.00007	18.6
126.00309	0.2
129.06950	0.2
131.08492	0.2
133.10141	0.3
135.11652	0.2
137.70630	0.2
147.11720	0.2
149.09615	0.2
158.91734	0.2
163.11217	0.2
178.25543	0.2
184.07341	100.0
185.07681	0.7
227.12669	0.2
239.23627	0.2
267.15750	0.3
275.19998	0.3
311.25937	0.2
313.27277	0.4
349.23505	0.2
388.61533	0.2
505.38803	0.5
507.33987	0.2
507.40643	1.4
508.40091	0.2
587.46637	1.0
605.47302	0.6
630.41187	0.2
714.47028	5.6
715.46368	0.4
720.73914	0.2
764.44855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01869	1.0
55.05507	2.3
55.82167	0.5
57.03434	2.1
57.07069	1.5
59.04993	0.5
59.53111	0.6
61.02928	5.5
65.03944	0.8
66.56814	0.5
67.05508	7.8
69.03438	3.9
69.07068	2.1
70.07298	1.6
71.04984	2.9
71.08649	0.9
72.08867	0.6
73.02910	4.7
79.05494	5.2
81.03416	3.7
81.07056	9.3
83.04989	1.1
83.08631	1.7
85.02909	5.3
91.03947	3.1
91.05469	4.3
91.32127	0.5
93.07043	5.5
95.04980	0.9
95.08604	5.1
97.02892	7.1
97.06541	0.8
98.98501	1.0
99.04465	1.2
101.02386	1.9
105.07024	1.8
107.04961	0.7
107.08606	3.0
109.02888	2.1
109.06474	0.7
109.10168	2.7
110.40623	0.6
111.08058	0.6
117.07037	1.3
119.08589	1.8
121.10170	2.4
123.11692	1.0
127.03927	1.7
129.05420	0.5
131.08609	1.2
133.10167	2.0
135.11711	1.3
149.09641	0.7
149.13329	1.2
151.11205	0.6
151.37811	0.7
159.11725	0.6
163.11174	1.0
173.04582	1.3
184.07394	2.1
203.05356	0.7
227.12753	0.6
243.08424	2.3
267.15915	1.5
313.27567	0.8
335.25980	0.8
485.23563	5.9
519.29346	8.7
521.38513	1.1
763.46051	100.0
764.46295	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	763.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	2.2
55.05529	2.0
57.03445	2.3
57.07087	1.1
58.77101	0.8
60.08166	5.5
61.02934	7.6
61.49250	0.9
61.67486	0.9
65.98673	0.8
67.01117	0.8
67.05519	5.2
69.03433	4.0
69.07074	2.6
71.04991	1.0
71.07384	2.8
71.48613	1.7
73.02926	4.0
79.05100	1.2
79.05498	6.9
81.03424	3.7
81.07067	5.9
81.87490	1.0
83.01113	1.9
83.04988	1.4
83.08624	2.0
85.02917	9.0
86.09718	17.1
87.10059	2.8
91.03958	6.0
91.05495	4.0
93.07051	7.0
95.05022	1.1
95.08643	4.6
97.02894	7.6
97.10175	1.3
98.98463	2.6
99.04463	2.1
101.02433	2.8
104.10728	1.0
105.07073	2.3
107.08628	3.0
109.10182	2.4
115.03951	1.5
117.05502	1.3
117.07005	1.6
119.08622	1.5
121.10146	1.8
125.00018	14.1
127.03957	2.7
129.05496	3.2
131.08623	2.0
133.10150	1.3
135.11696	0.9
145.05017	1.1
145.10136	1.2
147.11719	1.1
149.13275	1.1
157.04697	1.1
181.04715	1.6
184.07362	60.1
185.04248	9.7
185.05710	1.1
185.06248	1.2
185.07706	9.8
201.03809	2.5
203.05319	1.8
227.20380	1.2
243.08461	6.0
301.08975	18.6
301.12268	1.5
315.10419	5.4
317.08783	1.4
327.10605	1.9
327.23050	1.2
335.26001	2.3
343.13953	1.2
355.13931	1.7
357.15268	1.9
367.43167	1.0
369.15430	3.0
371.16922	2.6
373.11026	11.7
385.18344	9.6
387.12665	1.5
399.24988	1.4
415.15872	1.3
429.17401	3.2
457.20340	2.7
463.23328	1.2
469.20547	3.5
470.21271	1.3
483.22195	1.3
495.22314	1.6
497.24347	1.0
509.23608	3.7
513.26691	1.4
519.29340	21.5
523.25153	1.7
549.27161	2.0
563.28540	1.4
578.30682	13.2
591.31317	9.1
605.32886	2.3
607.34302	1.2
619.34631	3.4
633.36151	1.9
661.39343	6.4
662.40094	8.4
679.40063	2.0
701.41797	1.3
703.40125	1.7
709.24951	1.1
713.45819	3.4
717.41278	1.4
723.28467	1.0
745.41431	5.2
746.42242	1.4
763.42383	100.0
764.43170	7.4
784.27124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05515	1.5
57.03431	2.1
61.02925	4.3
65.03945	0.5
67.05511	2.7
69.03417	2.4
69.07066	0.9
71.05003	0.6
73.02926	3.1
79.05495	4.9
81.03424	3.6
81.07064	4.0
83.04980	1.0
83.08624	1.0
85.02910	5.5
86.09726	1.6
87.04488	0.5
91.03961	2.3
91.05492	4.8
93.07063	3.6
95.04985	1.8
95.08621	1.8
97.02900	3.9
97.06564	0.7
99.04468	1.2
101.02391	1.8
105.07017	2.3
107.08626	1.4
109.02916	0.7
109.06571	0.5
109.10180	0.7
115.74146	0.4
117.06973	0.7
119.08563	2.5
121.10151	1.2
125.00012	0.6
127.03931	1.3
128.25328	0.4
129.07043	0.7
130.45291	0.5
131.08595	1.9
133.10158	1.6
143.08594	0.5
145.10123	0.8
147.11697	1.4
157.10156	0.8
175.11264	0.5
184.07300	2.8
185.04321	1.0
193.12296	1.6
211.13344	0.6
243.08432	2.3
251.12469	0.8
301.09128	1.2
307.15176	0.5
315.10767	0.5
335.56976	0.4
373.11450	0.6
404.65628	0.4
443.19006	0.4
465.21048	0.5
469.20502	10.0
535.28729	4.0
536.29517	0.5
541.22626	1.0
693.33868	0.5
763.42383	100.0
764.42609	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	762.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05039	0.9
58.06366	0.3
58.06628	0.4
59.07390	0.2
60.08167	6.7
67.05506	0.3
68.45301	0.1
70.01131	0.6
70.06619	0.1
71.07378	3.7
79.05473	0.2
81.03431	0.3
81.07049	0.4
86.09710	33.1
87.10032	0.2
88.73188	0.1
91.05520	0.1
93.07011	0.2
95.08600	0.2
98.98469	3.9
104.10754	2.6
121.10148	0.2
125.00010	22.2
143.51146	0.2
184.07347	100.0
185.07657	0.7
205.61398	0.1
345.57938	0.1
360.32529	0.1
520.33911	0.2
556.97961	0.2
712.45471	5.3
713.45837	0.3
763.39679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.0
58.06630	0.5
60.08163	5.7
60.40825	0.1
67.05509	0.5
69.07063	0.3
70.06600	0.2
70.94389	0.3
71.07378	3.4
71.54252	0.1
73.67361	0.1
78.33441	0.1
79.05486	0.3
81.03409	0.2
81.07062	0.3
83.08630	0.2
86.09705	28.9
87.10053	0.2
91.05489	0.3
93.07051	0.2
95.08596	0.2
98.98469	3.4
104.10748	1.9
111.95717	0.2
114.90167	0.2
119.89913	0.2
121.10152	0.2
125.00002	20.5
143.01120	0.2
184.07338	100.0
185.07739	0.8
328.76654	0.1
354.85138	0.2
368.23807	0.2
508.50186	0.2
656.34668	0.2
712.45471	5.3
713.45337	0.3
762.38806	0.2
763.41583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05037	0.7
58.06625	0.7
59.07388	0.3
60.08171	5.9
62.78335	0.2
67.05505	0.4
69.07053	0.3
71.07375	3.0
71.48245	0.3
73.02936	0.2
79.05501	0.5
81.03416	0.3
81.07063	0.5
83.08610	0.2
86.09715	29.5
91.05489	0.4
93.07033	0.4
95.08623	0.4
97.02896	0.3
98.98476	3.1
104.10748	2.5
105.07020	0.3
107.04942	0.3
107.08616	0.4
109.06565	0.2
119.08557	0.3
125.00020	18.9
129.06998	0.2
131.08568	0.2
138.94710	0.2
143.01109	0.2
184.07358	100.0
185.07726	0.7
629.85822	0.2
674.36719	1.7
728.44958	1.5
744.44574	1.3
762.41266	0.9
763.42450	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05037	0.7
58.06625	0.7
59.07388	0.3
60.08171	5.9
62.78335	0.2
67.05505	0.4
69.07053	0.3
71.07375	3.0
71.48245	0.3
73.02936	0.2
79.05501	0.5
81.03416	0.3
81.07063	0.5
83.08610	0.2
86.09715	29.5
91.05489	0.4
93.07033	0.4
95.08623	0.4
97.02896	0.3
98.98476	3.1
104.10748	2.5
105.07020	0.3
107.04942	0.3
107.08616	0.4
109.06565	0.2
119.08557	0.3
125.00020	18.9
129.06998	0.2
131.08568	0.2
138.94710	0.2
143.01109	0.2
184.07358	100.0
185.07726	0.7
629.85822	0.2
674.36719	1.7
728.44958	1.5
744.44574	1.3
762.41266	0.9
763.42450	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.92512	0.5
55.01888	0.7
55.05508	1.9
57.03429	1.5
57.07089	0.7
59.05001	0.6
61.02934	3.9
61.03823	0.5
67.05505	4.6
69.03427	2.8
69.07058	1.8
69.35822	1.3
69.36223	3.8
71.05004	0.6
73.02934	2.7
79.05487	4.6
81.03420	2.7
81.07061	4.9
83.01328	0.5
83.05003	1.0
83.08616	1.9
85.02901	5.6
86.09709	1.2
91.03963	2.4
91.05489	3.9
93.07052	5.0
95.04973	0.9
95.08607	4.0
97.02895	5.0
97.06559	0.7
99.04453	1.1
99.08050	0.5
101.02393	1.8
105.07053	4.0
107.04935	1.1
107.08612	2.4
109.10184	0.9
111.08044	0.6
117.06990	0.9
119.08605	2.7
121.10172	1.7
121.23840	0.5
125.00046	1.0
127.03957	1.6
129.05426	0.6
129.06975	0.9
131.08557	1.7
133.10135	2.4
135.11702	1.8
145.10168	2.0
146.96092	0.6
147.11729	1.3
163.11192	1.3
164.51184	0.5
174.18250	0.5
184.07343	5.1
185.04282	1.1
193.12254	0.8
228.14748	0.6
243.08426	3.0
275.20084	0.8
283.15561	0.5
301.08972	1.1
315.19470	0.7
335.91495	0.6
419.87247	0.7
465.20920	1.0
467.18793	8.2
469.20590	1.9
533.27411	1.6
535.28760	3.6
648.69812	0.7
761.40796	100.0
762.40961	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.01871	1.0
55.02901	0.4
55.05516	1.4
57.03433	1.6
61.02928	3.1
67.05514	3.7
69.03428	2.8
69.07072	2.3
70.09509	1.8
71.01350	0.6
71.05012	0.7
73.02919	2.4
79.05492	3.6
79.05898	0.5
81.03414	3.7
81.07057	4.4
82.34653	0.5
83.04987	1.1
83.08646	1.1
85.02910	5.3
86.09726	1.9
91.03963	1.8
91.05493	4.7
93.07056	2.9
95.04995	1.5
95.08598	2.3
97.02898	3.3
97.06535	1.0
99.04474	0.8
101.02389	1.4
105.07040	3.6
107.04962	1.3
107.08617	1.8
109.02905	0.5
109.06572	0.5
109.10152	0.8
117.07021	1.3
119.08601	2.2
121.10170	1.0
125.00033	0.6
127.03937	0.7
129.07063	0.9
131.08600	2.0
133.10147	2.2
135.11736	0.5
145.10144	0.8
147.11737	1.7
149.09641	1.0
157.10202	1.3
159.11635	0.5
175.11174	1.0
179.14456	0.7
184.07378	3.5
185.07771	0.5
185.57037	0.5
193.12343	1.5
243.08437	2.5
244.27307	0.5
275.20374	0.5
299.94812	0.5
315.19339	4.7
340.72690	0.5
371.22202	0.6
469.20493	10.2
533.27167	4.1
549.67761	0.5
761.40839	100.0
762.40948	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01866	0.5
55.05508	1.7
57.03429	1.5
60.08153	0.6
61.02925	3.8
65.03933	0.6
67.05502	3.7
68.52303	0.4
69.03421	2.6
69.07064	3.3
70.11530	2.1
71.04982	0.6
73.02905	2.3
76.73477	0.4
79.05483	3.3
81.03413	2.9
81.07056	3.9
83.04968	1.4
83.08621	0.7
83.79259	0.4
85.02900	5.2
85.56666	0.4
86.09696	3.6
91.03955	1.7
91.05491	4.4
93.07040	3.2
95.01310	0.8
95.04967	1.3
95.08593	2.7
97.02921	2.6
97.06551	0.9
98.21320	0.8
99.04447	0.8
101.02390	1.6
105.07027	5.3
107.04947	0.9
107.08605	1.3
109.02914	1.1
109.06528	0.7
109.10147	0.8
110.72520	0.4
117.07034	1.0
119.08556	3.2
121.06497	0.6
121.10129	0.9
124.99996	1.7
127.03914	1.1
131.08586	1.7
133.10094	3.6
135.11658	0.5
145.10147	1.1
147.11646	0.8
149.09648	1.0
157.10062	0.6
159.11778	1.0
163.11305	0.5
179.14297	0.9
184.07343	10.2
185.07700	2.0
193.12288	1.2
203.05278	0.6
243.08485	2.4
251.12473	0.7
275.20038	0.8
307.14505	0.5
315.19312	3.1
371.22122	1.2
469.20456	5.1
470.20993	0.6
533.27155	8.5
534.27509	0.6
761.40790	100.0
762.40936	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	761.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
56.76614	0.5
57.03443	2.3
59.04998	1.0
61.02934	4.4
67.05507	2.6
69.03431	3.6
69.07053	0.8
70.04722	1.9
71.04996	2.0
73.02911	3.0
73.67021	0.5
75.61536	0.6
79.05503	3.3
81.03423	6.4
81.07064	4.3
83.04993	1.2
83.08624	1.7
85.02914	3.3
85.06574	0.6
86.09672	0.6
87.04500	0.6
91.03976	2.2
91.05486	4.3
93.07056	2.8
93.96184	0.6
95.04990	2.2
95.08630	1.5
97.02902	3.9
97.06564	1.1
99.04443	0.9
101.02399	1.6
105.07034	2.4
107.04981	1.2
107.08606	1.7
109.02879	0.8
111.08044	0.5
119.08602	2.2
121.10184	2.4
127.03936	1.7
129.07030	1.1
131.08594	2.1
133.10159	2.1
137.06000	1.6
147.11711	1.7
149.09634	3.2
157.10146	1.7
163.03889	0.5
165.12793	0.5
167.07045	1.2
175.11229	1.5
184.07413	0.8
185.04205	0.5
193.12306	2.8
203.05360	0.9
225.14984	1.3
243.08473	2.5
254.30324	0.6
267.16034	2.2
283.15152	7.2
294.16486	0.5
302.89902	0.6
339.17868	2.0
349.57727	0.7
469.20734	0.8
501.23099	26.0
502.23511	1.3
729.37726	0.8
761.39307	100.0
762.39575	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	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.05513	9.4
57.03434	6.2
57.07072	2.0
57.08146	1.5
61.02925	6.0
65.03928	2.2
67.05510	52.2
69.03437	4.4
69.07061	12.5
69.95988	7.8
71.04996	21.2
73.02924	2.9
78.06717	1.8
79.05499	30.6
81.03439	3.9
81.07064	28.1
83.04982	6.0
83.08624	7.1
85.02908	5.3
85.06549	2.2
86.09714	9.1
91.03981	1.9
91.05482	38.5
93.07047	36.2
95.04974	4.8
95.08616	18.2
97.02910	5.1
97.06535	3.5
97.10176	3.2
105.04564	1.6
105.07042	28.5
107.04950	2.1
107.08598	18.8
109.10158	27.4
111.08109	2.6
117.06998	7.6
119.08589	25.6
121.10145	11.5
123.07962	1.5
125.00035	4.6
125.09693	2.7
128.06239	1.9
129.07022	6.8
129.63771	1.6
131.08572	12.1
133.10135	20.5
134.30632	1.4
135.11697	10.1
137.09680	5.2
143.08565	6.3
145.10129	13.5
147.11691	10.6
149.09689	2.5
149.13271	3.7
155.08586	2.2
155.10643	2.4
157.10191	5.6
159.11691	10.2
161.13287	8.9
163.11201	4.1
169.10126	2.1
169.12396	1.7
171.11713	5.6
173.11862	3.5
173.13382	4.6
183.11774	2.6
184.07336	29.9
185.13344	2.8
187.13297	2.0
197.13364	2.5
209.13358	1.9
241.19576	6.2
243.08669	1.9
243.15932	3.0
255.15901	2.9
257.19177	2.8
259.20615	16.5
287.18469	13.2
294.06995	1.6
316.19638	2.0
333.24313	15.6
375.31094	2.0
421.31442	2.3
463.30496	2.4
467.18805	5.6
468.19351	6.0
469.33054	3.9
483.27658	1.7
487.34195	38.1
489.35526	2.3
495.35059	4.1
513.35852	20.0
519.36926	4.2
530.70276	1.6
531.36273	2.0
534.27783	2.2
545.38184	12.9
760.39575	100.0
761.40057	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	760.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01868	0.8
55.05513	5.6
56.05041	0.6
57.03435	4.4
57.07063	0.9
58.06602	0.6
60.08168	6.9
61.02910	0.7
64.12803	0.4
65.03934	0.7
67.05508	18.2
68.05835	1.0
69.03419	1.5
69.07076	4.9
71.04996	1.0
71.07389	2.8
79.05497	14.6
80.05828	0.9
80.40962	0.5
81.02934	1.1
81.03419	19.9
81.06593	1.1
81.07054	17.3
82.07384	1.4
83.04976	2.1
83.08618	5.2
85.02917	1.0
85.06537	0.7
86.09709	26.6
87.10085	0.5
91.05481	11.3
92.05801	0.6
93.06487	0.9
93.07048	13.7
95.04973	6.9
95.08615	10.6
96.08933	0.6
97.02879	1.0
97.06517	1.9
97.10157	2.2
98.20785	1.1
98.98468	2.8
99.08081	1.1
104.10741	2.1
105.06410	0.7
105.07036	7.9
107.04958	1.9
107.08594	7.8
109.06526	1.9
109.10164	5.2
111.04458	0.7
111.08089	1.5
117.07028	3.1
119.07839	0.6
119.08595	7.8
120.08898	0.7
121.06483	1.2
121.10143	5.8
123.08070	1.0
123.11683	1.7
125.00009	19.8
125.09641	1.3
129.07008	3.2
131.08553	5.7
133.06488	0.9
133.10135	4.9
135.08089	0.7
135.11685	4.1
137.09610	1.0
142.07759	0.6
143.08556	0.8
145.10139	3.6
147.08118	0.8
147.11688	4.2
149.09607	1.8
149.13268	1.9
157.10138	2.7
159.11682	2.2
161.13214	1.4
161.14536	0.6
163.11127	0.9
163.14928	1.1
165.12820	0.7
171.11674	0.8
173.13226	1.8
175.11188	2.1
175.14848	0.7
177.12794	0.9
184.07346	100.0
185.07687	1.3
185.13303	1.0
193.12225	6.0
193.81862	0.5
195.13799	0.8
211.13295	0.9
227.12708	1.4
243.21095	0.8
259.20557	1.0
260.21008	1.0
261.22110	3.4
267.15930	19.9
269.17480	1.2
270.17862	1.0
285.16974	0.7
301.25204	1.4
309.16757	0.8
317.24542	1.1
335.25793	18.7
336.26196	1.5
435.32648	0.9
453.33386	1.3
471.34631	1.6
527.37317	12.6
545.38324	10.4
563.38690	1.2
569.38336	0.7
710.43994	4.7
760.45319	0.9
761.39618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01867	0.3
55.05510	1.3
56.05039	0.6
56.11836	0.2
57.03415	1.1
58.06349	0.2
58.06613	0.4
60.08167	5.9
61.02912	0.5
67.05506	4.2
69.03425	0.3
69.07084	1.0
69.48144	1.5
71.04991	0.5
71.07375	3.3
73.02917	0.2
79.05493	3.0
80.08718	0.2
81.03424	4.8
81.07059	4.0
83.04970	0.6
83.08622	1.1
85.02888	0.3
86.09708	28.7
87.10043	0.3
91.05485	2.6
93.07043	2.9
94.07343	0.2
95.04961	1.3
95.08613	3.0
97.02897	0.4
97.06556	0.3
97.10153	0.3
98.98465	3.4
104.10741	2.0
105.07044	1.8
107.04951	0.7
107.08593	1.9
109.06503	0.3
109.10155	1.3
111.08070	0.4
117.07043	0.5
119.08610	1.5
119.17316	0.2
121.06550	0.3
121.10139	1.4
123.08035	0.3
123.11711	0.5
125.00008	18.8
125.09600	0.5
129.06969	0.5
131.08588	1.3
133.10132	0.9
135.08011	0.2
135.11685	0.9
145.10126	0.9
147.11667	0.7
149.09589	0.4
149.88707	0.2
157.10107	0.5
159.11705	0.4
161.13254	0.3
163.14864	0.3
173.13269	0.5
175.11102	0.3
184.07344	100.0
185.07642	0.7
193.12236	0.9
227.12796	0.3
243.21149	0.4
259.20389	0.2
261.22076	0.7
267.15897	4.1
315.23764	0.2
317.24701	0.2
335.25760	3.4
342.15616	0.2
353.25946	0.2
355.86765	0.2
366.56927	0.2
415.89944	0.3
435.32364	0.3
453.33374	0.5
527.31378	0.2
527.37335	2.2
545.38361	1.9
563.38379	0.3
665.20917	0.3
710.43829	4.3
711.44147	0.3
760.42859	0.6
761.40588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.2
55.01855	0.2
55.05512	0.7
56.05035	0.7
57.03438	0.5
58.06628	0.5
60.08166	6.2
60.99170	0.2
67.05508	2.1
69.07065	0.8
70.06624	0.2
71.07375	3.5
76.85547	0.2
79.05489	1.6
81.03423	2.5
81.07060	2.0
83.08621	0.6
86.09708	29.2
87.10011	0.2
88.53904	0.2
91.05479	1.0
91.83002	0.2
93.07053	1.5
95.04962	0.9
95.08611	1.3
97.02895	0.2
97.10145	0.3
98.98473	3.3
104.10751	2.2
105.07026	0.8
107.08621	0.8
109.06541	0.2
109.10148	0.6
111.08088	0.3
117.07035	0.3
119.08581	0.8
121.10152	0.8
123.08016	0.2
123.11708	0.2
125.00008	19.7
129.07016	0.4
131.08600	0.6
133.10175	0.4
135.11708	0.5
137.09682	0.2
145.10123	0.2
147.11710	0.3
157.10133	0.4
173.13237	0.2
184.07346	100.0
184.62773	0.2
185.07640	0.7
193.12238	0.7
222.54570	0.2
227.12703	0.3
261.22134	0.4
267.15955	3.1
335.25821	2.3
419.02127	0.2
435.33023	0.3
450.22519	0.3
453.33661	0.4
527.37158	1.4
545.38391	1.3
569.39203	0.2
710.43927	5.1
711.44653	0.3
714.05713	0.2
728.44989	0.2
760.44751	0.2
779.23779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
61.02932	1.6
69.03419	2.3
71.48729	0.8
71.49095	1.0
79.05482	2.7
81.03411	10.9
84.59827	0.9
85.02910	7.4
91.05495	2.7
97.02901	2.7
103.05460	2.4
105.07027	1.4
107.04960	9.6
115.05428	6.2
116.17000	0.8
117.07018	15.5
123.04420	1.8
124.05193	1.7
128.06227	0.9
129.07037	2.1
130.04137	1.0
131.08548	2.8
133.06483	1.4
137.06082	0.9
141.07014	1.5
144.05675	3.4
145.05225	1.4
145.06490	39.4
152.04669	1.5
155.05997	5.5
156.05708	8.2
157.06540	1.9
159.08052	6.0
161.06010	3.1
162.07632	1.8
167.07040	46.3
172.05243	1.1
173.05988	74.8
174.06459	1.3
175.07462	1.0
180.08704	2.3
184.05200	2.4
187.07559	7.0
190.06252	40.8
191.06920	1.8
193.08556	2.8
202.06209	4.5
203.07068	7.3
205.08604	100.0
206.09055	2.0
207.06483	1.2
217.08609	48.5
218.09142	1.8
219.10080	4.7
223.09631	2.6
231.08095	1.1
235.09662	34.9
244.98636	1.2
247.07677	1.3
247.09723	6.3
248.08362	1.8
263.10660	2.4
264.07620	1.4
265.10730	54.7
269.08264	1.0
271.09683	2.8
275.06882	0.9
276.07663	1.5
291.10202	2.0
293.08054	1.6
307.09698	1.0
308.10474	1.5
315.08588	5.7
323.12860	2.6
330.11005	8.3
331.11676	3.1
339.12204	1.1
339.21414	1.0
351.12106	2.5
356.12387	0.9
369.13135	1.4
371.14871	3.7
383.14847	12.7
400.52591	1.3
401.15958	21.1
572.24298	1.0
611.38574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01875	0.6
55.05510	2.5
56.09171	0.4
57.01950	0.5
57.03458	2.5
60.08161	1.0
61.02926	3.9
67.05511	7.3
69.03433	3.3
69.07066	1.9
71.04998	0.5
71.07383	0.4
71.49461	0.6
71.71974	0.4
73.02927	3.5
79.05494	7.3
80.05840	0.4
81.03423	3.2
81.07070	6.8
83.04984	1.2
83.08631	1.2
85.02905	3.4
86.09710	6.1
91.03971	2.7
91.05483	6.4
93.07047	8.5
95.04980	1.7
95.08633	4.3
97.02908	3.7
97.06559	1.1
98.98512	0.5
99.04439	0.5
101.02386	1.8
104.10792	0.6
105.07035	4.4
107.04962	0.5
107.08611	3.0
109.02867	0.5
109.06557	0.6
109.10173	2.0
111.08060	0.4
117.07065	1.3
117.75554	0.4
119.08609	3.9
121.06489	0.6
121.10162	2.5
123.11726	0.5
123.77817	0.4
125.00008	4.1
127.03962	1.3
129.05554	0.5
129.07060	1.1
131.08528	2.0
133.10129	2.9
135.11739	1.3
143.08585	0.9
144.06891	0.4
145.10150	1.2
147.11678	2.6
149.13252	1.0
159.11690	1.1
161.13284	1.1
163.11227	0.4
171.11743	1.3
184.07353	21.0
189.12648	0.5
209.11668	0.5
243.08443	3.2
247.13181	1.2
267.16040	0.8
269.17584	0.7
270.17911	0.7
281.17642	0.6
301.09039	1.3
301.16415	0.6
315.10681	0.8
323.16306	0.5
335.25928	1.7
336.26215	1.2
373.11041	0.5
457.56177	0.5
464.30820	0.7
465.21039	8.4
527.37506	0.7
528.37775	0.7
535.28784	5.0
537.23169	1.2
544.37323	0.8
545.38568	0.5
710.43872	0.6
759.42932	100.0
760.43164	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	759.3924
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03942	1.1
53.75520	0.4
55.01865	1.2
55.05506	1.8
57.03432	1.0
61.02933	4.0
67.05502	3.9
69.03435	2.5
69.07066	2.7
69.96172	2.0
71.04967	0.5
73.02912	3.1
79.05495	4.2
81.03416	3.2
81.07058	4.7
83.04989	1.3
83.08627	1.0
85.02901	3.7
86.09729	1.1
91.03973	1.8
91.05477	4.4
93.07039	3.3
95.01350	0.5
95.04982	1.5
95.08597	2.9
97.02892	3.7
97.06555	0.8
97.10194	0.5
98.20704	0.4
98.21277	0.9
99.04449	0.9
101.02399	1.6
105.07037	3.5
107.04966	0.9
107.08603	1.8
109.02914	1.0
109.06510	0.7
109.10171	0.6
117.07041	1.9
119.08610	2.5
121.10164	1.3
125.00012	0.7
127.03916	1.1
129.06966	0.4
131.08589	1.6
133.10144	3.0
135.11703	1.5
145.10136	2.1
147.11693	0.9
149.09624	0.9
152.23436	0.4
159.11748	1.2
163.11206	2.0
173.13408	0.5
179.14368	1.1
184.07379	3.7
196.44447	0.5
217.62445	0.4
222.00526	0.4
243.08461	2.0
249.10907	0.5
275.20212	0.8
283.15506	0.6
315.19333	2.0
369.32706	0.5
371.22461	0.6
385.94766	0.5
425.01352	0.5
464.31467	0.5
467.18906	5.5
533.27222	8.8
759.39240	100.0
760.39636	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	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80485	0.8
53.03947	4.5
55.01864	1.4
55.05280	1.1
55.05514	15.6
57.03437	7.5
57.07061	2.9
59.05004	1.5
61.02919	3.2
62.61998	0.8
65.03935	3.1
65.55390	0.8
67.05506	65.4
69.03418	2.1
69.07069	13.1
70.01234	3.3
71.04995	21.6
71.08630	0.8
73.02924	1.1
79.05495	39.2
81.03416	1.1
81.07056	100.0
82.07392	0.7
83.04972	4.6
83.08614	7.4
85.02898	2.1
85.06545	8.9
86.09749	0.9
91.03930	1.0
91.05483	28.9
91.54001	0.8
93.07044	43.0
93.07642	2.0
95.04939	4.5
95.08606	24.8
97.02869	1.3
97.06546	5.5
97.10146	2.5
98.20771	1.5
99.08041	1.3
105.07030	17.8
105.13927	0.8
107.08596	20.6
109.06537	1.9
109.10150	12.0
111.08078	1.8
117.07036	5.5
119.08577	9.7
121.10148	15.0
123.08059	1.4
123.11703	13.3
123.40251	0.8
131.08556	7.9
133.10133	16.8
135.11687	10.9
139.11313	0.8
145.10104	3.6
147.11716	4.8
149.13309	5.4
151.11172	5.9
153.12816	1.2
157.10081	1.2
159.11699	7.2
161.13249	3.2
169.12274	1.8
173.13261	2.2
175.14783	1.5
177.12753	2.4
179.14323	1.2
183.13815	2.5
184.07303	4.4
187.13251	2.7
187.14789	1.7
195.13852	2.6
199.13246	0.8
201.14896	1.2
213.16504	1.2
227.16449	2.3
257.17456	1.8
261.22208	2.0
269.17429	5.7
271.58826	0.8
301.20087	19.7
317.24725	1.1
335.25821	25.6
335.29913	1.2
336.25836	0.8
353.02161	0.8
393.31479	1.0
437.34119	1.1
455.50934	0.9
485.36133	3.0
503.37311	82.5
504.37750	4.3
511.37250	1.2
517.38794	5.5
529.38922	16.2
547.39734	1.3
561.41498	78.7
562.41913	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	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01869	3.7
55.05515	24.9
57.03428	13.4
57.07058	4.2
60.08158	5.8
60.58662	3.1
65.03928	5.5
67.05508	59.7
69.03430	5.6
69.07066	21.6
69.21535	28.6
71.04976	8.7
79.05493	63.5
81.03418	61.0
81.06592	4.3
81.07056	55.2
81.07526	4.3
83.04993	18.9
83.08628	30.6
85.02905	23.9
85.06555	5.8
86.09711	35.1
91.05480	78.7
93.07050	73.9
95.04962	28.0
95.08607	34.7
97.02894	5.0
97.06576	3.7
97.10172	8.3
98.98479	5.2
99.08032	3.7
105.07032	81.2
106.41577	3.1
107.04905	9.0
107.08583	31.8
109.06473	6.9
109.10166	16.4
111.08067	12.7
117.07022	16.3
119.08579	67.7
119.09380	5.3
121.10165	22.0
123.08062	5.2
123.11690	3.9
124.99995	19.5
125.09666	4.3
129.07028	22.9
131.08586	35.3
133.10124	44.6
135.08043	4.2
135.11726	15.1
142.07736	7.4
143.08557	11.3
145.10184	19.5
147.08121	3.6
147.11684	52.5
149.09636	7.5
149.13266	13.3
157.10165	20.7
159.11717	17.7
160.87029	3.2
161.13272	27.7
163.11192	3.9
165.12782	5.0
171.11684	12.5
173.13251	11.1
175.11182	14.9
175.14787	8.4
184.07344	100.0
185.13258	6.6
193.12245	45.2
197.13260	4.6
199.14885	4.8
211.13287	55.4
227.12694	5.5
241.19487	27.7
257.19138	5.1
259.20596	57.3
267.15845	17.4
269.17508	5.7
274.39908	2.7
275.57346	3.6
285.16956	65.0
315.23151	5.1
333.24310	54.3
419.67773	3.4
433.30850	9.5
451.31992	11.2
479.83878	3.1
515.37451	4.7
525.35754	27.9
526.35565	4.3
543.29407	4.7
543.36865	63.4
565.19781	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
53.59555	2.3
54.09949	2.2
55.01869	5.8
55.05516	29.0
57.03443	19.3
60.08165	5.6
61.02914	3.3
65.03954	7.1
67.05510	69.9
68.13071	2.7
68.41805	2.4
69.03426	6.5
69.07072	19.7
69.20930	8.3
69.21349	17.5
71.04994	7.4
79.05498	75.2
81.03422	55.1
81.07056	70.7
83.04983	16.4
83.08620	27.5
85.02914	22.5
85.06545	4.1
86.09716	18.9
91.05485	100.0
93.07050	77.6
95.04964	29.1
95.08617	38.4
97.02921	4.7
97.06527	9.0
97.10181	8.4
98.98468	4.1
99.08097	3.4
100.64102	2.8
103.05454	5.6
105.04501	3.8
105.07032	89.5
107.04948	11.5
107.08607	36.5
109.06527	6.8
109.10183	13.0
111.08077	10.1
115.05451	3.5
117.07034	24.8
119.08591	69.9
121.10137	34.2
123.08066	5.9
123.11664	5.7
125.00027	12.4
125.09664	2.7
128.06174	3.7
129.07018	26.8
131.08560	33.4
133.06564	4.0
133.10123	54.5
135.08046	3.7
135.11710	20.0
137.04672	2.8
142.07793	3.9
143.08554	10.8
145.10144	24.6
147.11693	51.6
149.09624	8.3
149.13251	10.7
155.08580	3.9
157.10161	25.6
159.11694	25.6
161.13251	25.4
163.11244	5.3
163.14941	2.6
165.12799	4.3
169.10150	4.0
171.11665	15.8
173.13280	11.6
175.11229	19.6
175.14848	9.4
183.11719	3.7
184.07343	61.3
185.13281	11.1
187.14818	6.1
193.12251	41.2
197.13112	3.2
199.14847	5.4
209.13187	3.4
211.13274	48.2
211.15234	2.4
227.12718	5.1
231.21053	10.3
241.19492	27.9
257.19098	3.9
259.20578	82.3
267.15985	16.3
275.20087	4.6
285.16946	53.4
297.22189	4.3
315.23169	10.8
333.24261	58.9
433.30890	7.5
451.31961	6.0
477.99960	2.8
515.37000	4.4
525.35809	25.7
526.35919	3.4
543.36841	75.0
544.37000	6.7
561.37006	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
54.73028	1.6
55.01864	7.8
55.05514	29.5
57.03442	14.9
57.07074	1.6
59.04988	2.1
60.08167	2.7
65.03941	4.0
67.05508	80.9
69.03428	6.4
69.06733	2.4
69.07072	30.9
71.04978	7.1
71.49617	2.9
79.05495	60.7
81.03416	20.8
81.07062	100.0
83.04977	15.3
83.08625	23.0
85.02908	9.3
85.06530	7.4
86.09706	14.5
91.03930	2.3
91.04913	2.5
91.05482	55.5
93.07048	69.0
94.07368	3.2
95.04960	12.2
95.08608	36.1
97.02890	3.0
97.06531	16.6
97.10152	6.0
99.04479	1.7
99.08090	5.5
105.04511	3.6
105.07039	34.1
107.04948	6.9
107.07882	2.7
107.08604	43.5
109.02872	2.7
109.06522	9.7
109.10152	9.7
111.08070	8.5
115.05422	2.8
117.07018	19.0
119.08596	22.2
121.06510	5.5
121.10154	23.8
123.08064	4.3
123.11692	4.7
125.00035	10.5
125.09654	3.9
127.03922	4.2
129.06985	5.5
131.08551	22.2
133.10144	22.2
135.08072	5.2
135.11717	17.6
137.09525	1.7
143.08537	3.4
145.10123	11.2
146.10445	2.0
147.11702	13.9
149.09636	9.6
149.13272	26.2
149.14427	3.0
151.11147	2.9
157.10123	6.4
159.11726	18.1
161.13264	3.7
163.11192	4.8
169.10031	2.8
171.11736	3.6
173.04436	2.0
173.13300	5.9
175.11113	5.5
177.12766	7.1
181.12312	2.3
184.07355	48.3
193.12321	8.7
195.13800	10.8
207.34775	1.6
211.13243	11.9
227.12856	4.8
236.87334	1.8
248.09029	1.7
255.15955	7.7
257.19034	4.3
259.20581	7.8
267.15924	3.3
269.17496	65.2
275.20023	16.2
285.16992	10.0
333.24310	10.1
349.23700	14.3
413.21759	2.4
439.26981	3.3
449.28998	25.1
463.30569	72.8
464.30826	4.7
519.83832	1.7
525.36285	4.1
543.36835	34.9
561.37903	7.9
607.34729	3.4
709.65039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01883	11.0
55.05517	23.6
57.03446	19.9
57.07079	2.5
57.34813	1.2
59.05009	1.4
61.02920	5.1
65.03930	2.8
66.62639	1.3
67.05513	56.7
69.03427	5.2
69.07066	13.3
69.79659	7.9
71.04999	2.5
73.02917	5.8
77.93360	1.3
79.05500	43.8
81.03425	16.7
81.07068	44.0
82.04193	4.2
83.05000	8.8
83.08635	11.1
85.02938	3.4
85.06538	2.1
90.31367	1.5
90.61098	1.5
91.03984	1.4
91.05489	25.7
92.44637	1.4
93.07059	36.1
95.04978	11.3
95.08614	30.3
97.02879	3.5
97.06535	6.6
97.10172	12.5
98.07320	4.6
99.08118	1.5
99.96152	1.4
101.06033	1.7
105.04575	1.8
105.07034	22.9
107.04964	4.4
107.08600	22.4
109.06549	4.2
109.10165	18.9
111.04430	1.9
111.08082	4.1
116.04724	12.0
117.07062	7.0
119.08610	16.4
121.06526	1.7
121.10161	16.7
123.08076	3.8
123.11707	2.6
125.09641	12.9
129.05496	31.7
129.07048	3.8
131.08597	12.9
133.10150	13.0
135.08084	1.9
135.11710	11.8
137.09653	2.0
143.07004	6.8
145.10194	7.3
147.08054	1.6
147.11711	9.6
149.09666	3.6
149.13255	5.4
157.08626	15.1
157.10121	5.4
159.11740	4.4
161.13263	4.0
163.11176	5.8
163.14818	2.8
165.12703	1.9
171.10179	5.1
173.11905	2.0
173.13301	4.8
175.11192	4.9
184.07326	3.2
185.13231	2.5
187.14801	2.6
189.11230	5.5
193.12254	8.6
199.13326	5.6
200.14120	2.6
209.11754	1.5
211.13313	4.2
227.12776	9.8
229.14464	1.9
243.21123	3.2
259.20923	1.7
261.22226	9.4
267.15939	5.5
277.21555	2.9
283.15451	3.7
285.16989	2.3
301.16479	100.0
301.47101	1.4
302.16769	2.6
317.24722	1.7
335.25824	71.6
336.26221	3.9
421.52734	1.5
527.37158	5.0
543.36255	2.8
561.37952	39.4
561.46735	2.0
562.37653	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
53.65549	0.9
55.01876	11.6
55.05512	33.4
56.38078	0.8
57.03440	22.0
57.07074	5.5
60.29512	0.9
61.02929	6.6
65.03934	4.3
67.05506	73.7
68.05837	1.0
69.03419	5.5
69.07069	21.7
71.01353	1.8
71.04987	4.6
71.49663	1.1
73.02922	5.4
79.05495	59.0
80.05855	1.2
80.06280	1.2
81.03420	16.9
81.07056	66.3
82.03766	1.2
82.04202	3.2
82.07398	1.7
83.04980	13.2
83.08624	14.0
85.02895	9.0
85.06531	2.6
86.09734	2.3
91.03964	2.2
91.04903	1.6
91.05480	41.4
93.07047	53.9
95.04973	14.3
95.08608	45.7
96.05758	1.1
97.02888	4.8
97.06535	9.4
97.10168	13.9
98.07292	5.4
99.04517	1.1
99.08077	1.6
101.06049	1.2
105.04533	1.7
105.07033	27.9
107.04961	5.6
107.07876	1.9
107.08595	32.9
108.09480	1.2
109.06512	4.1
109.10162	26.3
111.04427	2.1
111.08062	6.7
113.09693	0.9
116.04710	9.7
117.07024	10.0
119.07710	1.1
119.08582	23.8
121.06478	2.2
121.10141	24.4
123.08064	4.9
123.11729	5.6
125.00028	1.8
125.09631	14.4
127.11166	1.6
128.06235	1.1
129.05489	27.7
129.06940	4.6
130.07834	1.2
131.08575	18.0
133.06514	1.7
133.10124	18.6
135.08063	3.0
135.11700	17.1
137.09624	2.4
137.13271	1.3
139.11183	1.2
142.07687	1.1
143.07033	8.4
143.08517	2.4
145.10110	11.2
147.11697	13.3
149.09637	4.1
149.13266	9.4
151.11185	2.3
153.12740	1.2
155.08589	2.3
157.08606	11.4
157.10115	7.3
159.11681	7.1
161.09636	1.9
161.13272	5.4
163.11224	5.3
163.14832	2.9
165.12709	2.3
171.06560	1.0
171.10168	4.9
171.11534	1.5
173.11858	1.6
173.13284	5.8
175.11139	4.0
175.14799	2.7
181.12386	0.9
184.07361	6.2
185.11699	1.2
185.13248	1.9
187.14815	2.5
189.11223	7.0
191.10779	1.3
193.12219	7.8
199.13280	2.9
200.14108	2.2
209.11739	4.6
211.13251	5.2
227.12723	9.9
229.14352	3.2
243.21092	3.2
255.15733	1.2
259.20541	2.1
261.22122	14.4
267.15912	6.7
268.16211	1.4
275.20087	1.1
277.21704	4.3
283.15405	7.6
285.16885	1.5
301.16461	65.8
302.16776	1.6
313.21915	0.9
315.23306	1.3
317.24747	2.6
333.24146	1.4
335.25803	100.0
336.25885	4.4
351.25333	1.3
389.26685	1.8
435.32413	1.1
448.22247	1.1
487.33746	1.3
525.35858	1.9
527.37372	4.3
543.36877	7.8
544.37598	1.1
545.37915	1.9
547.39838	1.3
561.37860	80.7
562.38660	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	757.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01876	1.0
55.05507	2.7
55.24760	0.4
57.03445	2.2
61.02921	3.7
65.03927	0.8
67.05507	7.8
69.03438	2.2
69.07069	3.3
70.48915	0.5
71.01349	0.7
71.04993	0.8
71.49886	0.5
73.02924	2.3
79.05493	8.0
80.05849	0.6
81.03428	3.2
81.07057	7.8
81.07523	0.5
83.04979	2.0
83.08640	1.4
85.02908	3.2
86.09706	5.2
91.03963	1.9
91.05479	6.8
93.07048	7.9
95.01340	0.6
95.04965	2.3
95.08608	4.6
97.02914	3.3
97.06548	1.4
98.98484	0.6
99.04463	1.0
101.02354	1.3
105.07031	5.5
107.04952	2.0
107.08598	4.0
109.02898	0.6
109.06511	0.9
109.10151	2.1
111.08126	0.5
117.07049	2.3
117.96783	0.4
119.04945	0.6
119.08588	3.7
121.06478	0.7
121.10152	1.8
122.53919	0.5
123.08086	0.7
125.00005	3.4
125.05994	0.5
127.03908	1.1
129.07053	1.6
131.08595	1.8
133.10143	3.9
135.08084	0.6
135.11732	1.2
143.08577	0.6
145.10133	1.9
147.11720	2.0
149.09715	1.4
149.13271	0.6
155.45827	0.5
159.11717	1.5
161.09679	0.5
161.13335	1.6
163.11243	1.5
171.11720	1.3
177.12735	0.4
179.14323	1.0
184.07333	15.3
185.04189	0.5
203.05344	0.5
209.11813	0.5
235.68170	0.4
243.08508	1.7
247.13026	0.6
261.59021	0.5
269.17584	0.7
275.20050	0.9
281.17496	0.8
283.15591	1.0
284.17432	0.4
299.15079	0.8
301.16547	0.6
315.19363	3.4
335.25720	2.4
336.26434	0.6
371.21829	0.6
448.53021	0.4
463.30826	0.7
465.21008	8.7
533.27289	7.0
543.36713	0.9
561.38190	0.6
709.09363	0.5
757.41321	100.0
758.41693	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	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.7
55.01862	13.6
55.05521	43.0
57.03442	19.4
57.07067	3.9
59.04992	4.1
61.02928	4.8
63.05859	3.4
65.03952	6.0
67.05511	80.0
68.25632	3.7
69.07053	17.9
69.78636	8.1
69.79046	12.9
71.04974	8.7
77.59682	3.8
79.05493	87.3
81.03423	28.1
81.07063	72.4
83.01329	13.6
83.04982	19.8
83.08636	21.7
85.02888	14.0
85.06510	3.5
86.09698	7.6
91.05491	85.2
91.54303	3.9
93.07048	95.6
94.07378	4.0
95.04971	16.7
95.08620	46.1
97.06532	10.0
97.10159	10.5
98.20824	4.5
99.04480	4.9
105.07034	86.4
107.04969	23.8
107.08607	55.7
109.06515	10.5
109.10164	15.2
111.04441	4.6
111.08055	6.7
117.07030	35.6
119.08597	80.0
121.06484	7.1
121.10156	33.2
123.08075	13.4
125.00029	7.9
125.09641	7.4
129.07002	15.8
131.08589	36.9
133.10141	56.8
135.08046	4.3
135.11743	37.7
143.08548	15.4
145.10138	57.8
147.08018	4.7
147.11694	48.5
149.09625	5.6
149.13295	5.3
153.12674	4.8
155.08562	6.4
157.10112	17.5
159.11725	33.4
161.13278	27.9
163.11212	42.2
169.10162	4.7
171.11705	18.0
173.09641	6.8
173.13245	11.4
175.11105	5.5
175.14853	4.3
181.12253	6.7
181.47153	4.2
183.11685	5.4
184.07335	25.7
185.13336	12.8
187.14824	3.8
191.10706	5.9
193.12250	5.9
197.13252	7.3
199.14822	11.4
209.11624	19.0
227.12740	19.9
231.21062	6.6
241.19513	23.6
259.20587	69.3
267.15808	4.8
275.19958	10.4
283.15421	100.0
285.16977	6.5
297.21970	6.7
315.23105	10.9
333.24271	56.6
349.23904	4.3
431.29135	5.5
449.30792	7.3
467.31464	6.7
485.32404	6.4
523.34253	8.3
541.35291	85.6
542.35162	5.1
559.36151	29.9
664.78552	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01878	7.8
55.05508	23.5
56.05014	1.5
57.03441	10.2
59.05010	1.4
60.08163	3.7
61.02929	2.6
65.03931	2.9
67.05505	50.6
69.03436	8.0
69.07069	33.4
71.04980	3.6
71.07379	2.7
75.44401	1.1
79.05491	44.7
79.24110	1.5
81.03429	9.9
81.07054	60.1
81.63218	1.4
83.04971	6.1
83.08617	13.1
85.02898	2.1
85.06559	2.4
86.09708	19.2
91.03935	1.8
91.05480	34.3
93.07042	40.3
93.92657	1.6
95.04968	10.3
95.08613	22.9
97.02890	9.4
97.06508	6.5
97.10175	10.2
98.98477	2.9
104.10750	2.8
105.07034	20.2
107.04958	7.6
107.08589	25.9
109.06485	4.4
109.10135	10.9
111.04436	2.4
111.08072	4.4
117.07024	12.8
119.08566	15.3
121.06509	4.9
121.10135	12.3
123.08076	3.7
123.11686	4.4
125.00006	14.5
125.09648	7.4
128.06259	2.1
129.07028	3.7
131.08588	15.7
133.06512	2.4
133.10143	19.9
135.08060	5.0
135.11697	10.9
137.09618	1.6
143.08592	3.0
145.10133	8.3
147.08067	5.1
147.11688	6.5
149.09647	3.3
149.13252	13.2
151.11201	4.8
153.09157	1.6
153.12668	1.8
157.10117	4.4
159.08118	1.5
159.11679	8.2
161.09642	3.3
161.13234	2.6
163.11200	5.2
165.09128	1.6
169.12325	1.6
171.11687	2.9
173.13274	1.7
175.11227	2.9
177.12769	3.5
179.14255	1.5
181.12175	1.8
184.07349	60.0
184.09004	3.3
189.11194	4.0
193.12300	1.7
195.13808	9.2
205.12254	2.3
223.13264	12.9
227.12804	5.6
233.15265	1.6
241.19565	2.3
253.14316	6.6
255.17570	1.9
259.20554	4.1
263.19965	2.2
267.15970	3.1
269.14523	2.5
269.17465	49.6
273.18475	11.2
275.20108	1.7
277.21524	3.2
283.15439	11.7
291.19537	77.9
299.14801	2.2
333.24332	2.0
335.25922	1.8
347.22229	4.0
351.25247	4.8
365.23215	39.6
461.28906	2.2
465.28409	3.1
477.28363	2.9
479.30099	2.9
492.12088	1.4
541.34979	5.0
559.36310	100.0
560.36316	6.3
756.44159	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	756.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	4.5
55.05272	1.5
55.05514	17.1
57.03437	8.2
67.05188	1.2
67.05513	18.1
68.32474	1.1
69.03412	2.6
69.07058	4.4
70.19864	3.3
70.20248	2.2
71.04982	3.7
79.05077	1.4
79.05499	20.6
81.03423	45.6
81.07062	16.8
83.04961	4.0
83.08623	14.1
91.05487	14.5
93.07044	13.2
95.04971	19.2
95.08610	8.0
96.40062	1.1
97.02920	1.4
97.06515	3.8
97.10180	14.5
105.07042	9.8
107.04963	13.5
107.08595	11.5
109.06530	7.2
109.10164	5.0
111.04430	1.4
111.08099	4.9
115.05431	1.5
117.06995	4.3
119.08593	9.3
121.06526	11.1
121.10120	6.9
123.04385	1.8
123.08068	5.4
123.11685	1.2
125.06035	1.4
125.09640	12.8
129.07037	8.7
131.04886	1.6
131.08612	8.3
133.06490	4.7
133.10132	6.1
135.08035	3.7
137.06081	1.0
137.09619	1.6
142.07776	1.6
143.08588	1.9
145.06477	3.7
145.10107	4.9
147.04411	1.3
147.08049	3.7
147.11685	6.9
149.09621	3.9
153.09094	3.0
155.08559	2.1
157.06516	1.6
157.10162	6.0
159.08058	2.0
159.11702	1.2
161.06018	1.7
161.09628	2.3
163.11156	3.8
167.08405	1.2
169.10187	1.5
171.08133	1.4
171.10190	1.8
171.11644	2.3
173.09644	1.4
173.13187	1.2
175.11137	5.3
181.10164	1.4
185.09583	1.5
187.11198	1.2
189.11195	5.2
189.12737	2.2
191.14296	1.6
193.12273	12.7
195.11678	2.1
197.13284	1.2
211.11128	1.2
211.13216	1.6
215.14359	1.9
219.13795	1.7
223.13242	2.1
227.12689	3.1
233.15320	4.1
237.12680	2.1
255.13744	2.3
259.13138	1.5
267.15933	36.3
273.14798	6.8
286.20587	1.1
291.16119	1.7
293.17496	1.7
329.05353	1.2
339.23175	2.3
349.21686	5.0
357.24377	2.7
367.22714	15.0
385.23743	23.9
403.24866	8.0
405.24426	1.5
429.26270	1.3
441.26633	8.4
459.27435	100.0
460.28027	5.2
477.28513	90.3
478.28702	4.0
491.30035	12.0
491.56323	1.1
501.28421	2.5
509.31125	5.0
541.34058	1.7
567.28979	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	756.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01877	17.9
55.05515	46.0
57.03440	31.9
57.07082	3.5
59.04718	2.7
59.05004	45.3
60.31000	1.5
61.02923	5.9
65.03941	3.6
67.05510	100.0
69.03440	8.7
69.07084	11.8
70.54432	3.3
71.01350	1.8
71.04993	12.3
73.02910	7.1
79.05496	38.0
81.02980	2.8
81.03423	27.2
81.07061	38.0
82.04195	4.9
83.01314	1.7
83.04990	16.3
83.08626	20.9
85.02937	7.5
85.06546	5.0
85.78621	1.4
87.04478	53.5
91.03918	1.6
91.05482	26.2
93.07044	22.2
95.04975	18.2
95.08617	15.4
97.02902	9.3
97.06542	11.5
97.10170	27.5
98.07314	5.3
99.04463	13.0
99.08107	1.9
101.06033	1.9
103.03965	1.6
103.95444	1.7
105.07056	11.6
107.04961	6.7
107.08595	16.8
109.02869	2.2
109.06506	4.7
109.10162	80.6
111.04436	5.6
111.08076	8.7
116.04723	12.8
117.07016	5.9
119.08596	18.3
121.06530	4.4
121.10151	9.0
123.08067	5.1
125.09634	29.4
129.05492	25.8
129.06990	3.6
131.04988	1.6
131.08556	7.2
131.84488	1.6
133.10114	8.2
135.08072	4.2
135.11708	9.7
137.09621	5.8
143.07018	7.0
143.10699	2.8
145.10156	8.0
147.08022	2.7
147.11708	5.4
149.09668	4.4
153.09100	3.6
153.12770	3.6
155.10674	8.7
157.08611	13.6
157.10040	4.0
158.05774	2.1
158.72438	1.7
163.11180	14.5
171.06593	4.1
171.10210	3.8
173.09613	2.0
173.10162	1.9
173.11765	30.4
175.11243	4.7
181.12286	5.1
184.07321	2.6
185.08115	2.1
189.11249	6.9
191.10725	4.6
193.12247	6.8
199.09683	3.5
199.13303	14.3
200.14096	3.5
209.11723	12.8
210.12531	2.3
211.13235	3.1
217.14313	3.5
223.13274	2.9
227.12814	18.2
229.14362	71.0
241.14355	3.7
242.15036	2.3
255.15874	4.1
267.15952	12.5
269.17554	2.0
283.15411	14.9
283.18701	2.9
284.15897	3.0
285.17026	1.8
297.43646	1.7
301.16479	50.7
315.18085	4.6
326.24466	4.3
329.15900	2.7
421.25937	4.1
425.25854	3.1
437.25330	4.0
438.26010	6.8
443.26508	2.5
455.26385	44.5
456.26752	3.2
532.30707	1.8
541.30029	19.3
559.31287	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	754.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
55.88733	0.2
56.05050	0.9
57.03444	0.2
57.07074	0.3
58.06636	0.6
59.33027	0.2
60.08168	5.9
63.69481	0.2
67.05515	1.2
69.07072	0.4
69.91917	0.4
69.92319	0.6
71.07378	3.8
79.05494	0.8
81.03394	0.2
81.07050	1.0
83.08592	0.3
86.09708	31.1
87.10039	0.4
91.05489	0.5
93.07041	0.5
95.08600	0.7
97.02905	0.2
98.98473	3.3
104.10735	1.9
105.07062	0.4
107.08584	0.3
109.10162	0.6
117.07099	0.2
119.08588	0.5
125.00013	21.7
125.09561	0.3
129.88464	0.2
133.10104	0.2
135.56335	0.2
149.13249	0.2
159.11739	0.2
160.57687	0.2
184.07346	100.0
185.07687	1.4
203.38803	0.2
205.36815	0.2
223.13228	0.4
279.15933	0.2
297.16959	0.5
318.51007	0.2
331.11920	0.2
335.25626	0.5
340.24484	0.2
348.93225	0.2
557.38580	0.2
650.43866	8.3
651.44012	0.6
676.58618	0.2
754.36084	0.2
754.48767	4.2
755.47736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01880	19.6
55.05515	56.4
55.05791	2.7
57.03442	29.2
57.07075	3.4
59.04720	1.6
59.05008	46.5
61.02917	4.5
65.03939	3.7
67.05509	100.0
67.93387	1.6
69.03432	10.8
69.06770	1.5
69.07076	13.2
70.15559	3.3
70.15945	2.8
71.01340	2.4
71.04997	15.0
73.02929	7.4
79.05499	42.5
81.03423	25.2
81.07061	43.4
82.04184	5.0
83.04993	18.4
83.08630	21.9
85.02922	10.9
85.06525	5.5
87.04476	51.4
91.03963	1.8
91.05486	26.4
93.07049	25.0
95.04973	19.4
95.08609	18.7
97.02901	9.5
97.06538	10.2
97.10178	33.9
98.03645	1.4
98.07294	3.3
99.04467	19.6
99.08096	2.4
105.07036	11.7
107.04951	9.3
107.08598	23.1
109.02894	1.5
109.06493	4.9
109.10166	76.2
110.65736	1.3
111.04451	7.1
111.08100	8.1
115.05424	1.7
116.04704	11.6
117.05482	1.3
117.07030	4.5
118.10508	1.5
118.46304	1.1
119.08575	17.9
121.06521	3.2
121.10159	8.0
123.04494	1.5
123.08112	7.2
125.05984	1.6
125.09636	36.2
127.03939	2.2
127.11192	3.5
129.05492	30.6
129.07013	3.8
131.08594	7.0
133.06447	1.8
133.10126	6.3
135.08073	3.1
135.11685	7.4
137.09612	5.6
143.07072	8.0
143.10689	4.0
145.10138	8.6
147.08083	3.1
147.11658	6.4
149.09641	3.9
151.11258	1.7
153.09134	1.5
153.12755	4.2
155.10664	10.6
157.08611	18.0
157.10133	3.8
157.12234	1.7
158.05812	2.5
163.11217	14.1
165.12808	1.9
171.06511	3.2
171.10187	5.3
173.05974	1.6
173.09601	2.4
173.10123	1.9
173.11748	24.8
175.11177	3.2
181.12216	4.4
185.08081	1.9
185.11758	1.9
189.11226	6.2
191.10674	4.0
193.12219	8.0
199.09630	4.5
199.11426	1.8
199.13295	20.7
200.14050	3.3
202.47748	1.2
209.11720	14.4
210.12482	3.7
211.13225	2.6
213.11305	2.8
217.14401	3.8
223.13281	3.3
227.12769	16.9
229.14377	64.4
241.14340	3.9
255.15936	4.8
267.15912	8.5
269.17459	2.4
271.15286	1.4
275.71872	1.3
283.15399	13.2
283.18726	2.9
284.16110	4.1
301.16498	43.7
311.18561	2.1
315.18045	4.3
326.24573	4.4
329.15909	1.6
383.24442	3.5
421.25775	3.8
425.25244	2.9
437.25253	4.3
438.26105	5.3
443.26120	3.1
455.26465	36.8
456.26480	1.5
484.60855	1.3
541.30103	17.2
542.30328	2.6
559.31146	10.8
563.53546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.3
55.01867	7.0
55.05508	22.4
57.03426	11.4
65.03931	4.6
67.05510	76.3
69.07082	19.2
79.05494	91.8
81.03420	8.5
81.07063	63.8
83.04974	14.0
83.08608	10.0
84.64276	3.0
85.06504	3.6
86.09686	5.7
91.05481	91.5
93.07047	100.0
95.04959	17.7
95.08607	45.9
97.02884	4.5
97.10165	3.5
97.16131	3.2
103.22664	2.7
105.07037	78.7
107.04936	6.6
107.08586	31.0
109.06516	7.3
109.10152	15.2
115.05502	3.7
117.07011	23.3
119.08584	62.1
121.06523	3.7
121.10142	16.9
123.08041	7.3
124.99991	4.5
125.62145	3.0
128.06265	5.9
129.07008	20.5
131.08563	23.0
133.10135	47.1
135.08083	3.6
135.11719	15.5
143.08582	19.3
145.10123	29.5
147.08005	4.0
147.11697	59.0
149.09685	5.8
149.13263	8.4
157.10110	4.0
159.11685	19.7
161.09677	5.1
161.13248	37.2
163.11198	2.9
163.14761	4.9
171.11708	31.3
173.13275	9.7
175.14772	15.7
184.07312	16.7
185.13300	11.6
185.26448	3.0
189.12769	7.3
199.14722	5.4
207.13756	17.3
231.21132	4.1
234.77907	3.6
241.19492	27.9
257.19177	5.0
259.20584	55.5
261.22000	4.9
279.15967	14.8
281.17477	67.0
288.34338	3.2
297.16946	3.7
315.23328	4.3
333.24176	45.6
334.24524	3.4
447.32510	6.4
465.33548	7.4
529.38458	4.2
539.37396	62.9
557.38550	23.4
777.84314	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	754.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01871	2.7
55.05515	27.6
57.03447	16.1
57.07074	7.1
58.72015	1.0
59.05013	1.2
60.08167	4.9
61.02928	4.7
64.76946	1.1
65.03944	3.9
67.05512	66.3
69.03424	4.6
69.06742	1.2
69.07075	18.4
69.27186	6.7
71.04987	4.4
71.07365	3.0
71.08630	4.1
73.02896	1.7
73.05521	1.1
79.05500	46.8
81.03425	12.3
81.07064	52.7
82.07413	1.1
83.04992	7.9
83.08628	12.1
85.02914	7.4
85.06548	1.6
85.10199	2.2
86.09714	30.2
91.03922	1.8
91.05488	28.8
93.03409	1.2
93.07054	44.5
95.04976	18.8
95.08615	34.6
97.02883	4.3
97.06537	4.8
97.10184	15.4
98.98449	3.5
99.04449	1.5
99.08125	1.4
104.10753	1.7
105.06329	1.3
105.07042	22.5
107.04985	6.2
107.07883	1.7
107.08598	25.1
109.02888	1.4
109.06510	3.7
109.10171	24.1
111.08063	4.0
117.07030	15.1
119.08614	10.4
121.06505	4.7
121.10150	14.5
123.04443	1.2
123.08070	2.9
123.11720	3.7
125.00009	19.4
125.09634	13.1
128.06207	1.3
129.06967	3.4
131.08583	17.6
133.10141	9.4
135.08054	3.5
135.11707	9.5
137.09607	1.7
137.13237	1.1
139.11237	1.4
141.07050	2.3
143.08569	2.4
145.10147	9.5
147.11699	4.8
149.09639	1.6
149.13266	6.9
155.10619	1.3
157.10130	2.2
159.11717	10.1
161.09668	1.7
161.13254	4.6
163.11282	1.4
163.14819	1.5
169.10127	2.3
171.10188	2.9
171.11665	2.1
173.11777	2.6
173.13284	4.9
174.01448	1.2
175.14854	1.2
177.12762	3.5
183.11790	1.4
184.07359	100.0
185.13268	1.2
187.11156	2.8
187.14755	2.5
189.11276	7.0
193.12263	1.3
195.13864	1.2
199.13260	1.6
205.12245	3.5
213.14757	2.0
223.13309	50.0
224.13492	1.0
227.12801	7.8
229.14352	11.4
243.21114	3.0
261.22150	12.3
279.15930	3.2
297.16995	88.4
298.17203	1.4
301.16534	3.2
302.11295	1.3
310.58102	1.1
313.27502	11.0
315.23221	1.3
317.24854	1.4
329.24512	1.3
335.25830	59.5
336.26010	3.1
443.03967	1.1
455.37180	2.2
467.37299	2.9
470.01581	1.0
483.34653	1.7
489.35587	3.9
539.37933	5.0
557.38428	33.5
558.39093	1.9
650.43958	6.6
754.48499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01873	8.5
55.05509	11.1
57.03421	3.4
57.07058	1.0
59.04993	0.9
61.26139	0.9
65.03925	1.2
67.05186	1.6
67.05508	19.7
69.07070	14.6
69.19899	7.9
71.04997	1.7
79.05491	20.7
81.03419	8.1
81.06599	1.6
81.07057	30.6
83.01320	3.6
83.04978	6.2
83.08624	7.4
85.06543	1.1
86.09715	1.3
91.05483	31.1
93.07046	22.1
95.01353	5.1
95.04967	8.2
95.08607	14.5
97.04099	0.8
97.06541	13.1
97.10149	1.4
98.20791	1.4
98.21444	2.3
99.04488	1.0
103.05468	1.4
105.04495	1.1
105.07032	40.4
107.04969	11.2
107.08600	12.3
109.06507	4.7
109.10143	3.8
111.08019	2.2
117.07011	11.3
119.08593	20.3
121.06475	2.9
121.10164	4.7
123.04494	1.1
123.08052	4.3
125.00026	1.0
125.05959	0.9
125.09612	1.2
127.03617	0.8
129.07014	1.8
131.08577	11.9
133.10139	19.6
135.08037	3.3
135.11682	5.1
137.09637	1.6
139.07521	2.0
139.27098	0.8
143.08551	2.3
145.06425	1.1
145.10121	11.8
147.08049	1.1
147.11684	7.9
149.09584	4.3
149.13237	2.1
151.11147	1.1
155.08606	1.3
157.10129	1.6
159.11702	3.9
161.13252	2.7
163.11182	10.5
173.09615	1.0
173.13297	1.0
175.14809	0.9
179.14316	7.4
181.12221	1.2
184.07341	3.4
187.11168	1.0
209.11768	2.1
219.17401	2.4
227.12726	2.0
257.18967	3.3
275.20068	34.0
281.34995	1.0
283.15421	31.4
283.18591	1.7
293.21146	2.3
349.23685	16.1
461.29062	0.9
477.28070	1.0
539.33496	2.0
557.34753	100.0
558.35101	5.1
575.35657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01876	9.2
55.05509	29.2
57.03435	16.6
59.04994	1.7
64.76138	1.3
65.03938	3.2
67.05506	50.4
69.03428	18.1
69.07075	12.2
70.52489	4.9
71.01358	3.1
71.04988	10.8
73.02918	2.6
79.05495	41.1
81.03419	100.0
81.07055	40.7
82.04196	2.3
83.04987	24.2
83.08617	25.9
85.02901	18.3
85.06535	4.7
91.05479	43.0
91.06029	3.1
93.07043	28.4
95.04975	34.9
95.08607	18.4
97.02892	17.4
97.06536	10.3
97.10164	10.6
98.03684	7.9
99.04467	6.1
99.08106	3.0
103.05450	2.0
105.07034	28.5
107.04957	19.8
107.08591	18.0
108.82516	1.6
109.02877	8.1
109.06516	8.1
109.10152	20.3
110.07311	5.4
111.04440	10.9
111.08087	12.9
113.05999	4.8
115.05453	2.1
116.04729	2.6
117.07021	6.2
119.08577	25.6
119.09395	2.8
121.06483	3.3
121.10149	18.6
123.04433	6.9
123.08093	7.4
123.11716	1.9
125.06007	3.6
125.09620	12.4
127.03930	8.4
128.06270	2.1
129.05487	5.0
129.07011	12.2
129.68509	1.4
131.08562	14.6
133.06499	3.8
133.10139	15.0
135.04381	3.1
135.08101	3.0
135.11723	9.9
137.09636	3.8
142.07796	2.7
145.10165	10.8
147.08034	5.7
147.11678	17.4
149.09608	11.6
153.05453	1.9
153.09111	5.3
153.12767	5.5
154.42986	1.6
155.08533	1.9
155.10704	2.1
157.08711	2.6
157.10106	16.0
163.11208	15.8
165.12749	4.1
173.04463	18.9
173.09676	4.2
173.11758	6.8
175.11191	14.4
181.12248	6.1
181.62857	1.6
189.11191	5.2
191.10693	7.0
193.12247	40.9
193.13892	3.1
199.06018	7.6
199.13324	4.4
205.48357	1.6
209.11702	9.4
211.13303	48.6
224.14058	4.3
227.12733	12.9
229.14282	7.1
265.14359	3.0
267.15924	34.0
267.18658	2.8
273.14810	2.1
283.15332	11.8
285.16934	26.7
301.16415	5.5
315.18057	7.0
421.25803	8.9
427.27158	2.0
439.26968	38.7
439.32892	2.6
445.20679	5.2
457.25711	1.7
458.26740	2.1
459.27466	2.5
475.26831	6.6
476.27640	2.3
477.28494	2.3
493.27722	12.8
494.29126	2.5
507.29440	12.4
508.30151	3.7
511.29196	10.7
522.75726	1.6
621.32727	2.7
637.31995	2.0
639.33374	4.7
655.33008	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	753.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
55.01877	18.6
55.05508	24.2
57.03436	27.3
58.38333	2.7
61.02929	4.6
65.03938	3.8
66.42258	2.6
67.05505	79.0
69.03429	22.2
69.07075	22.8
71.01360	8.3
71.04987	10.2
71.34102	4.1
71.76336	2.9
74.27107	2.9
79.05489	64.8
80.06678	3.2
81.03420	100.0
81.07059	67.9
83.04980	34.8
83.08618	33.5
85.02922	15.9
85.06535	6.1
91.05485	76.0
93.07047	55.6
95.01329	3.7
95.04968	63.4
95.08617	42.0
97.02888	26.3
97.06509	14.8
97.10178	7.3
99.04453	5.7
99.08096	5.2
103.05449	4.4
105.07034	57.5
107.04956	62.3
107.08596	30.0
109.02880	9.7
109.06525	28.3
109.10168	17.9
111.04453	18.8
111.08073	17.2
113.06004	7.8
115.05478	6.1
117.07010	27.5
119.04937	5.9
119.08579	41.1
120.65041	3.1
121.06505	12.8
121.10140	19.6
122.07281	10.1
123.04376	5.9
123.08060	12.1
123.11710	4.0
125.05950	5.3
125.09614	5.6
127.03932	9.4
128.05299	3.0
128.06235	10.1
129.05511	5.9
129.07002	21.2
131.08563	38.3
132.71370	3.8
133.06522	19.5
133.10149	18.1
135.04391	3.9
135.08047	17.0
135.11650	14.7
137.09659	4.6
139.07715	3.1
141.06966	5.6
141.83627	2.9
142.07808	4.7
143.08531	17.8
145.06537	10.1
145.10104	20.9
147.08073	20.3
147.11711	16.6
149.09622	12.9
149.13245	5.8
151.11172	4.4
155.08551	5.8
157.10168	19.9
159.08044	4.8
159.11714	7.9
161.09616	18.0
163.11180	15.0
165.12758	4.1
167.31042	2.7
169.10117	6.6
171.11688	6.8
173.04468	5.1
173.09598	6.2
173.13237	4.2
175.11143	16.1
177.12770	6.3
185.13300	6.9
187.11200	8.6
187.14792	5.0
189.16339	3.1
191.10631	3.7
193.12228	39.1
195.13976	2.8
199.11304	2.8
203.14270	4.4
205.12271	3.7
205.15855	4.5
209.11681	4.2
211.13286	40.7
215.14398	3.6
227.12740	3.8
233.15382	9.4
249.14900	8.6
267.13297	4.7
267.15912	37.4
271.23441	3.3
273.18478	15.0
275.19983	4.0
279.15897	7.2
285.16962	17.7
289.17941	15.7
290.18817	7.6
291.19562	10.1
307.18997	4.5
323.18524	6.2
335.18631	4.1
347.22278	6.5
355.17676	3.4
363.21545	4.9
368.72919	3.1
381.22641	21.1
429.21140	24.3
441.91214	3.2
461.29041	3.1
462.29099	4.3
486.83542	5.3
489.47040	3.2
508.83243	4.7
515.29974	9.5
533.31189	4.7
544.37097	11.2
555.32996	3.5
573.34161	24.8
591.35016	5.2
718.91052	3.2
735.39130	13.9
753.00177	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	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.0
54.26383	2.3
55.01875	15.2
55.05280	2.6
55.05515	42.8
57.03439	16.6
57.07077	3.2
59.04991	3.6
62.63558	2.4
65.03928	6.3
67.05507	100.0
68.72348	2.0
68.98987	2.3
69.03434	24.5
69.07074	25.5
71.01351	4.1
71.04983	10.2
71.49391	2.5
73.02906	3.6
79.05498	50.6
81.03423	88.1
81.06605	3.0
81.07058	54.2
83.01332	2.1
83.04989	20.5
83.08625	31.0
84.27628	2.0
85.02905	44.2
85.06496	2.4
91.05480	38.0
93.07042	32.8
95.04976	27.3
95.08602	20.8
97.02876	21.1
97.06539	10.6
97.10152	21.6
99.04459	6.4
105.07034	23.0
107.04967	20.3
107.08613	20.1
109.02888	21.7
109.06506	7.1
109.10156	44.0
111.04473	10.9
111.08080	10.0
117.07007	8.6
119.04954	3.5
119.08583	23.2
121.06522	7.9
121.10130	13.8
123.04438	7.4
123.08086	4.0
123.11684	2.5
125.09637	17.3
127.03936	14.1
127.11118	3.1
128.06200	3.5
129.06990	12.7
131.03421	4.3
131.08575	14.6
133.06468	7.4
133.10117	8.7
135.08052	7.2
135.11705	8.6
137.09634	4.8
143.08624	2.5
145.06465	4.6
145.10098	8.9
147.08041	5.4
147.11687	14.6
149.09621	7.4
149.13239	2.7
149.75075	2.0
149.76431	2.4
155.10661	4.0
157.10132	9.2
159.08006	2.5
161.09639	3.2
163.11191	11.7
171.08032	2.6
171.10220	2.2
171.11720	3.3
172.72267	2.3
173.04486	9.7
173.09637	3.5
173.11748	9.8
175.11134	11.2
183.06557	3.6
187.11124	3.5
189.11182	5.8
189.12727	4.1
191.10622	4.2
193.12256	38.3
199.11342	2.3
199.13162	2.6
209.11694	6.6
211.13277	36.3
217.12270	5.5
223.13214	3.5
227.12717	9.9
229.14354	23.5
235.13275	4.7
252.82689	2.4
267.15994	13.1
273.18500	4.3
275.19974	4.1
277.14462	3.7
281.78317	2.5
283.15320	14.8
285.17047	5.4
289.17758	2.5
291.19540	10.3
301.16693	3.3
309.16925	5.1
349.23462	2.3
365.23712	2.6
421.25760	3.9
427.19260	3.3
439.26938	31.4
463.26917	3.5
490.36063	2.8
493.27728	3.1
735.38818	2.8
753.40283	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	753.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.4
69.03413	1.3
82.99890	1.1
85.02911	2.9
86.99329	1.0
89.03925	8.5
95.04980	1.1
97.02885	3.4
98.97579	4.4
100.00121	4.1
101.00882	6.9
107.04939	5.6
109.02883	1.5
113.00864	2.6
117.03381	6.9
118.01146	4.5
119.01920	7.1
119.04930	2.1
121.02882	1.3
122.03683	2.4
127.02450	2.7
131.01903	6.6
132.02594	1.0
133.03542	1.4
135.04417	15.0
136.04723	2.1
137.05988	32.7
142.01108	5.7
143.01894	8.3
145.02669	9.2
145.03687	1.5
147.04413	6.5
153.01833	1.1
154.01079	1.3
155.01910	6.2
156.02696	5.0
157.03461	2.7
160.02155	4.2
161.02997	7.9
161.06018	1.7
163.03909	100.0
164.04245	8.9
165.04193	1.1
168.02722	3.3
169.03471	1.6
171.04984	1.6
172.02168	2.7
173.03012	5.4
175.04512	1.5
177.03938	5.8
178.01109	4.2
179.01904	1.6
179.07021	2.1
181.03470	8.0
184.02203	4.3
185.01100	2.0
185.02870	2.1
186.03709	1.6
187.04538	1.6
193.03444	3.1
194.04286	2.9
195.05029	20.3
196.02188	10.5
197.02917	4.4
199.04543	1.4
201.00522	1.1
203.02122	1.8
203.03957	4.6
204.02681	2.9
205.03471	4.6
207.05136	2.4
209.02994	3.0
210.03789	1.8
211.04457	2.5
213.06050	1.7
214.03220	1.4
215.03912	2.0
217.03470	1.0
218.04193	4.8
219.05031	35.7
221.02956	28.2
221.05075	8.2
222.03667	6.0
223.04517	6.3
225.06052	2.8
226.03339	1.4
230.04149	1.7
231.05013	7.2
232.05698	1.6
233.06650	3.3
234.03706	1.3
235.04488	1.8
236.05315	5.4
237.02794	1.3
237.03397	1.4
237.06093	21.6
239.04062	6.4
240.04686	2.7
243.07253	2.6
244.04301	73.7
245.02637	1.5
245.04695	2.1
245.06712	1.6
246.03697	6.0
247.04640	6.9
248.05301	1.6
249.06056	5.6
252.04797	2.2
255.02017	1.4
257.04996	5.3
258.03647	2.4
259.04550	8.6
260.05237	1.7
261.03311	2.0
261.06079	14.5
262.05103	5.7
263.03955	3.4
263.07605	2.3
264.04825	14.2
265.05649	2.0
267.07104	2.4
271.04477	3.4
272.05304	1.8
273.05933	2.0
275.07538	1.5
276.04727	2.6
277.05710	2.2
279.07126	17.9
281.05167	6.0
283.06604	2.1
288.04691	1.9
289.05542	2.9
291.07245	5.3
293.08777	2.2
297.08383	7.1
300.04672	3.7
303.07159	1.7
305.05051	2.4
307.06680	16.9
309.08112	2.5
315.07123	4.4
317.04959	1.3
320.07629	1.6
321.08234	12.6
323.06067	3.3
331.06509	3.1
333.04782	1.9
333.08301	2.4
336.06989	8.2
339.06519	1.4
348.06912	44.3
349.07773	9.6
351.09134	4.5
357.08209	8.5
359.06158	2.5
363.09381	12.9
365.07214	12.3
366.08224	6.0
369.10663	5.9
374.07516	1.7
377.07111	10.3
379.07568	1.2
381.10312	34.9
382.10660	1.8
383.08374	2.0
389.10001	1.3
395.08340	11.9
399.11472	35.1
417.10782	12.1
437.09299	34.0
438.09686	1.2
439.61163	1.1
449.09686	1.2
455.10303	4.0
494.08923	2.0
497.11124	2.4
537.14178	2.7
539.12219	3.8
543.13104	3.3
555.14282	3.7
561.14679	28.1
569.13776	1.6
573.15131	11.6
579.15613	24.3
591.15710	4.6
615.14740	3.3
735.19708	9.8
753.08081	2.0
753.20746	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01871	1.6
55.05508	6.9
57.03443	14.3
57.06792	1.6
57.07077	30.6
58.65274	0.9
60.08161	1.3
60.09034	0.9
67.05502	14.4
69.03430	2.1
69.07078	6.8
69.91232	4.0
69.91651	1.6
71.05008	1.6
71.08630	22.8
73.25355	1.0
79.05499	10.1
80.57184	0.8
81.03419	60.7
81.07059	17.8
83.04978	3.1
83.08620	18.8
83.09117	1.2
85.10184	13.4
86.09702	4.0
89.06041	1.7
91.05479	12.0
93.07063	5.3
95.04974	18.6
95.08605	19.8
97.02890	1.8
97.06520	1.2
97.10147	5.3
103.07549	0.9
105.07014	9.2
107.04963	3.6
107.08578	3.3
107.19080	0.9
109.06522	1.8
109.10141	8.9
111.04453	1.4
111.08076	5.1
113.64000	0.9
115.05499	1.2
119.08585	10.2
121.06516	1.3
121.10157	4.2
123.04446	1.6
123.08106	1.2
123.11711	3.4
125.00030	2.3
129.07008	6.8
131.08556	6.8
133.06493	1.8
133.10138	2.5
137.09702	1.1
142.07805	1.9
142.37498	0.9
145.10162	1.7
147.08041	2.5
147.11693	6.8
149.09631	4.5
157.10135	8.8
165.12762	1.2
165.78268	1.0
167.36769	1.0
175.11189	7.0
184.07336	11.6
189.87102	1.0
193.12253	21.8
194.12445	1.1
211.13266	0.9
216.22507	1.0
225.15062	1.2
235.13327	1.2
239.23792	1.8
249.14821	1.8
257.24695	2.2
267.15921	100.0
268.16226	2.3
301.64249	1.1
309.17010	1.9
313.27374	91.8
314.27795	3.3
319.15253	1.0
349.75430	0.9
397.09677	1.0
505.38901	76.3
506.39172	4.2
526.00555	1.1
547.39801	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	752.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01879	11.0
55.05519	10.2
57.03431	3.4
63.52036	0.9
65.03933	1.4
67.05510	25.8
69.06726	1.6
69.07072	16.4
71.04994	2.0
73.10543	0.8
79.05499	30.2
79.76521	0.9
81.03428	7.0
81.07064	30.5
81.91983	1.2
83.04975	7.5
83.08628	5.6
85.06514	0.9
91.05489	37.8
91.74625	1.0
93.06487	2.0
93.07048	28.7
95.01322	4.5
95.04967	7.8
95.08617	18.5
97.06538	23.3
97.10185	2.5
98.21159	5.5
101.07347	1.1
103.05460	1.6
105.04491	1.1
105.07041	43.5
107.04977	10.0
107.08595	11.5
109.06527	2.7
109.10164	4.6
111.08110	1.2
117.07028	7.8
119.08588	21.5
121.06486	2.0
121.10162	4.1
123.08099	2.3
123.11715	1.8
128.06207	1.0
129.07050	7.1
131.08574	9.0
133.10144	22.5
135.08072	1.6
135.11682	3.8
137.09601	2.1
143.08572	4.1
145.10124	10.8
147.08037	1.5
147.11688	15.3
149.09631	4.2
149.13275	2.0
157.10158	1.6
159.11661	5.8
161.09637	2.8
161.13304	6.5
162.82376	1.0
163.11206	4.7
165.09167	1.1
169.10107	1.3
171.11726	8.3
173.13307	1.4
177.12721	1.4
179.14381	6.8
184.07271	1.9
187.11201	1.0
188.78273	1.0
189.12839	4.5
207.13783	5.2
209.11739	0.9
213.84370	0.9
257.19049	3.7
263.16492	1.1
275.20081	43.8
279.15942	3.6
280.51639	1.0
281.17496	30.8
293.21112	2.8
301.70273	1.0
349.23730	19.1
377.23221	1.2
537.35834	2.0
555.36841	100.0
556.37061	4.7
573.38080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.6
55.01872	23.2
55.05271	3.6
55.05511	43.7
57.03442	24.2
57.07071	4.9
59.04995	7.0
61.02938	3.4
61.78811	2.6
67.05507	87.1
69.03435	25.8
69.07068	19.3
71.01336	9.5
71.05000	17.0
73.02920	6.8
75.39861	2.4
79.05499	66.7
80.48221	2.9
81.03423	100.0
81.07061	62.3
82.04185	3.4
83.01332	10.7
83.04981	36.5
83.08615	35.8
85.02908	24.2
85.06529	8.1
87.04456	2.8
90.67256	3.4
91.03971	3.2
91.05482	53.4
93.06490	4.0
93.07057	55.3
94.07304	2.9
95.04968	39.0
95.08614	29.7
97.02895	29.3
97.06532	19.9
97.10165	19.5
97.87109	2.7
98.03651	8.5
98.07328	5.0
99.04456	10.5
105.07027	34.1
107.04962	28.8
107.08595	35.5
109.02864	14.1
109.06537	15.2
109.10157	45.4
110.07295	10.1
111.04476	15.3
111.08073	9.5
113.05994	5.5
115.05461	4.1
117.07017	21.5
119.08571	28.5
121.06496	7.1
121.10149	18.6
123.04420	10.2
123.08086	22.0
123.11655	4.2
125.06002	7.5
125.09645	25.3
126.61399	3.0
127.03919	16.1
129.05473	8.8
129.07001	12.2
131.08545	15.9
133.06453	3.5
133.10129	13.6
135.04404	5.0
135.08031	8.9
135.11688	20.0
137.09622	7.2
143.08546	6.0
145.06540	3.9
145.10124	25.4
147.08017	7.4
147.11641	15.5
149.09618	6.3
153.05437	4.1
153.09102	7.5
153.12714	14.0
155.08530	4.7
157.10103	6.5
161.09677	3.6
163.11205	38.8
165.12775	3.0
171.10258	4.2
173.04433	23.6
173.05766	5.1
173.09596	10.1
173.11746	12.8
175.11191	6.7
181.12202	10.8
189.11235	9.9
189.59854	3.3
191.10722	10.3
193.12283	20.9
199.06071	7.9
199.13283	4.3
209.11717	28.7
211.13239	19.7
224.14174	4.1
227.12819	31.8
229.14299	15.6
267.15909	15.0
283.15414	70.6
285.16885	12.4
301.16513	8.5
345.19003	10.0
427.19470	5.8
437.25424	82.6
439.26669	5.3
445.20441	5.0
456.16486	3.1
475.26648	5.9
491.26245	16.9
492.26813	4.6
506.28442	4.3
509.27423	22.7
528.26746	3.4
555.31830	26.0
636.30676	4.1
637.31586	11.9
653.30933	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	751.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.05518	18.3
57.03438	12.8
57.07079	40.7
61.02936	7.7
65.03941	4.4
67.05180	4.1
67.05508	47.5
69.03406	4.6
69.07073	23.2
69.20992	26.5
71.05012	3.4
71.08640	27.6
73.02919	3.1
78.50880	2.7
79.05493	37.8
81.03409	4.3
81.07057	48.1
83.05000	2.8
83.08615	15.5
85.02921	4.1
85.06565	3.4
85.10194	17.4
87.04478	3.8
91.05479	45.4
91.70346	2.9
93.07037	37.3
95.04987	5.4
95.08600	42.3
97.02888	4.6
97.10188	6.0
98.21582	5.8
99.25993	3.1
103.90920	2.8
105.07030	55.1
107.08592	22.5
109.06517	5.0
109.10165	16.2
117.07022	15.7
119.08585	45.0
121.10114	21.3
123.11722	6.7
128.06258	3.5
129.07011	4.6
131.08557	22.9
133.10120	34.9
135.11696	16.4
141.06944	3.0
142.07837	3.8
143.08548	7.3
145.10139	23.2
147.11668	44.9
149.13263	11.6
152.32141	3.7
156.09152	3.0
157.10132	9.8
159.11676	16.5
161.13261	30.0
163.11124	3.7
169.10208	4.6
171.11723	10.4
173.13286	14.4
175.11307	2.8
175.14845	12.9
185.13295	9.6
187.14807	5.2
189.12785	3.0
199.14867	6.4
213.16475	3.7
231.21133	9.2
239.23662	4.9
241.19502	32.2
259.20578	77.7
309.60883	2.7
313.27365	100.0
315.23071	4.1
333.24237	46.3
367.22675	6.9
403.24747	3.6
455.46713	3.2
567.72931	3.3
571.47052	7.6
589.48206	29.6
611.82312	3.0
679.49231	7.5
715.50616	6.0
733.51001	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	751.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.0
53.54486	2.4
55.01864	2.1
55.05508	18.3
57.03442	12.4
57.07083	53.2
61.02924	5.6
61.20591	2.3
65.79674	2.1
66.69191	2.0
67.05185	3.8
67.05510	48.8
67.24052	2.2
69.03428	3.1
69.07083	23.5
69.97245	5.3
69.97636	4.8
71.04989	4.2
71.08643	28.8
73.02927	2.9
78.01463	2.1
79.05499	37.6
81.03407	5.3
81.06606	2.7
81.07063	49.8
83.04971	3.0
83.08622	18.0
85.02900	6.3
85.06564	3.0
85.10187	16.9
87.04461	6.4
91.05481	43.4
93.07043	45.4
95.04973	4.0
95.08069	3.5
95.08621	45.2
95.09213	1.8
97.02896	4.6
97.06510	4.1
97.10157	7.6
98.20781	2.6
105.07036	59.3
107.08601	25.8
109.06526	2.8
109.10170	24.3
109.45737	2.2
111.08141	2.2
117.07010	19.6
119.08583	52.4
121.10147	20.1
123.08104	3.7
123.11712	5.3
128.06244	2.0
129.05550	2.4
129.07028	10.5
131.08577	26.0
132.36151	2.2
133.10130	39.1
135.11720	21.1
137.09621	3.2
137.13266	3.2
141.06915	2.9
143.08574	11.0
144.64731	2.2
145.10133	23.9
147.07988	3.1
147.11688	36.9
149.09648	3.0
149.13248	8.6
155.08568	5.3
157.10139	14.2
159.11708	23.1
161.13264	30.7
163.14836	2.7
169.10193	5.4
171.11707	15.3
173.13261	13.2
175.14832	13.9
177.12779	2.5
183.08061	2.5
183.11703	5.1
184.07364	6.3
185.13344	16.5
187.11287	3.4
187.14731	6.5
189.12724	2.6
195.11748	4.3
197.13251	2.6
199.14912	5.4
201.12932	2.6
207.11768	2.3
213.12581	2.1
213.16309	4.6
215.17741	2.5
231.17387	3.3
231.21056	9.5
239.23628	3.6
241.19551	28.9
257.24634	3.4
259.20581	84.5
271.20425	2.3
275.19916	3.4
289.21841	2.4
301.21609	4.5
304.26398	5.1
313.27365	100.0
315.23212	5.3
325.21530	3.8
333.24286	42.5
349.21545	3.9
367.22653	9.8
375.25223	3.8
383.90393	2.6
385.23825	6.9
403.24887	4.9
421.25644	2.8
459.27560	2.4
571.47052	10.8
587.46063	3.0
589.48181	30.8
655.48688	2.7
679.49261	7.8
697.50116	4.7
715.51703	4.7
733.52142	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	750.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01874	7.2
55.05514	15.4
57.03440	12.5
57.07080	46.2
59.04989	2.7
60.08168	3.0
61.02926	4.7
65.03918	1.7
65.07039	1.4
67.05509	29.6
69.03418	2.8
69.07074	14.9
69.90285	4.5
69.90686	2.3
71.01348	4.4
71.04998	6.8
71.08639	30.6
76.51485	1.3
79.05495	26.1
81.03423	32.5
81.07062	35.7
83.01308	2.0
83.04992	13.5
83.08623	17.6
85.02914	9.7
85.06541	3.5
85.10191	18.8
86.09717	7.6
87.04488	10.2
91.05487	19.0
93.06496	1.9
93.07051	25.5
95.04968	12.4
95.08613	31.8
97.02907	11.6
97.06519	10.1
97.10159	8.0
98.98497	1.3
99.04425	2.2
103.07581	1.3
105.07045	11.8
107.04299	2.0
107.04964	21.2
107.08608	11.5
108.95222	1.3
109.02866	3.1
109.06532	10.5
109.10169	13.2
111.04451	27.1
111.08079	4.2
111.11671	2.2
113.06006	1.6
117.07017	10.6
118.46719	1.4
119.08610	13.2
121.06492	8.1
121.10173	11.5
123.08115	7.7
123.08831	1.4
123.11668	4.1
124.99187	1.3
125.00012	5.3
125.06006	6.6
125.09597	2.4
127.03883	1.4
129.06975	4.1
130.07764	1.5
131.04907	2.4
131.08604	8.0
135.08057	4.5
135.11702	15.0
137.09686	2.8
145.06525	1.7
145.10133	21.1
147.08072	3.7
147.11719	2.2
149.09624	2.2
153.12761	10.7
155.08559	3.1
160.11214	2.5
163.11188	31.3
170.62785	1.3
173.09625	7.9
175.52025	1.3
181.12262	6.6
184.07358	23.9
184.81787	1.2
191.09032	1.6
191.10628	10.5
193.12245	3.1
194.12689	1.5
195.13879	2.8
209.11751	11.2
223.13301	22.6
227.12724	7.9
239.23671	3.1
241.14363	38.8
257.24741	1.9
258.09015	1.9
265.14359	14.7
267.15924	5.8
268.16177	2.4
283.15414	25.1
291.19876	1.3
291.29779	1.2
313.27383	100.0
314.27856	8.0
315.18048	51.9
336.31155	1.3
503.37329	14.3
506.39157	4.5
521.38440	92.3
522.38696	4.3
545.94025	1.6
553.40936	61.3
554.41156	3.2
679.52368	1.6
750.48834	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	750.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01866	1.4
55.05278	1.1
55.05514	17.9
57.03437	14.2
57.07077	10.8
60.08158	2.2
61.02911	1.4
63.20379	0.9
64.06583	0.9
67.05505	29.6
68.05833	0.9
69.03415	3.9
69.07070	24.3
71.04989	2.5
71.07354	2.2
71.08637	7.3
71.50212	1.7
73.02923	1.2
79.05493	17.7
80.05818	1.2
81.03422	69.7
81.07059	30.8
82.03748	1.2
82.07375	1.6
83.04977	6.1
83.08616	29.0
84.08949	1.0
85.02885	2.9
85.06523	1.8
85.10184	1.3
86.09710	15.5
87.04463	5.9
91.05484	20.0
92.83256	1.0
93.07049	15.7
95.04967	18.6
95.07998	1.1
95.08607	19.7
96.08944	1.7
96.51579	1.0
97.02864	4.7
97.06523	4.4
97.10175	9.1
98.98475	1.3
99.08090	1.7
104.10789	1.5
105.07046	11.5
107.04969	4.9
107.08607	11.1
109.02902	1.1
109.06490	4.0
109.10172	10.6
111.04453	1.5
111.08102	6.6
111.11733	2.2
117.07060	3.7
119.04952	1.0
119.08588	10.5
121.06503	3.0
121.10146	16.5
123.04459	1.2
123.08100	2.0
123.11713	3.9
125.00018	12.5
125.09631	2.5
129.07028	8.3
131.08565	7.2
133.06509	2.4
133.10162	5.2
135.08063	1.9
135.11705	7.8
137.09579	1.0
137.13243	1.5
142.07791	1.4
145.10097	3.3
146.10478	1.1
147.08058	1.7
147.11731	6.8
149.09618	3.7
149.13268	3.2
153.12781	1.0
155.08636	1.1
157.10153	8.4
158.10458	1.2
159.11662	1.9
163.11192	2.0
165.12804	1.1
173.13113	1.3
175.11151	7.8
184.07349	52.1
191.08643	1.0
191.10606	1.0
193.12250	19.1
194.12669	1.6
211.13316	3.2
219.21091	2.1
223.13301	1.4
227.12823	1.2
228.23871	1.0
235.13394	1.4
237.22072	2.5
239.23630	1.5
249.14966	1.3
267.15924	100.0
268.16290	4.2
275.19989	3.3
276.20374	2.2
285.16473	1.3
309.17038	2.2
311.25812	81.3
312.26096	1.5
313.27441	7.3
314.27661	4.9
429.33835	3.0
503.37347	68.5
504.37766	3.5
506.39310	2.4
521.38293	8.4
545.38428	1.6
588.46899	2.9
750.44196	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	750.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01886	0.2
55.05509	0.8
56.05033	0.8
57.03434	0.4
57.07077	2.0
58.06625	0.6
59.60644	0.2
60.08165	5.9
64.34525	0.2
67.05512	1.7
68.05849	0.3
69.03425	0.3
69.07074	1.0
71.04990	0.2
71.07376	3.8
71.08627	1.1
71.49969	0.2
73.02933	0.2
74.09735	0.2
76.67139	0.2
79.05506	1.2
81.03421	3.3
81.07062	1.7
82.07378	0.4
83.04996	0.4
83.08611	1.3
85.02899	0.7
85.10181	0.7
86.09708	31.4
87.04456	1.0
87.10028	0.3
90.79698	0.2
91.05483	1.3
93.07034	1.1
95.04955	1.1
95.08593	1.2
97.02856	0.2
97.10165	0.4
98.98470	3.8
101.31223	0.2
104.10735	2.4
105.07022	0.8
107.04946	0.3
107.08598	0.4
109.02924	0.3
109.06522	0.4
109.10162	0.7
111.04443	0.4
111.08067	0.5
111.11720	0.2
119.08594	0.7
120.08883	0.3
121.06514	0.3
121.10153	0.6
122.10471	0.2
125.00009	21.7
129.06998	0.3
131.08589	0.5
133.10159	0.3
135.11749	0.4
145.10164	0.3
147.07983	0.3
147.11674	0.4
149.09608	0.3
157.10139	0.3
159.11589	0.2
163.11189	0.2
175.11209	0.6
184.07343	100.0
185.07692	0.6
191.00140	0.2
193.12238	1.5
194.12541	0.5
211.13200	0.9
212.13651	0.5
239.23677	0.3
258.09024	0.2
267.15939	1.8
268.16245	0.9
277.21820	0.3
308.61371	0.2
311.25696	0.5
313.27319	1.9
314.27771	1.6
315.14786	0.2
384.38376	0.2
413.98819	0.2
428.50760	0.2
494.18146	0.2
496.33997	0.3
505.38779	0.3
506.39410	1.1
521.38293	0.4
523.39746	0.3
524.40198	1.0
525.29596	0.2
650.43903	1.0
700.44965	0.9
718.46667	1.2
750.49139	1.8
753.88025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.67191	0.4
55.01864	1.0
55.05508	3.1
57.03432	3.1
57.07077	3.1
59.04996	0.4
60.08171	0.8
61.02929	6.4
61.33769	0.4
67.05505	9.0
69.03429	3.9
69.07074	2.4
69.31300	2.3
69.31715	1.0
71.01350	0.6
71.04997	3.2
71.07342	0.4
71.08636	1.6
73.02911	4.2
77.72187	0.4
79.05499	5.0
81.03416	7.5
81.07050	7.1
83.01326	0.4
83.04974	1.2
83.08619	2.5
85.02908	6.2
85.06560	0.6
85.10191	0.7
86.09705	3.6
91.03969	3.4
91.05462	3.3
93.07040	5.8
93.07567	0.5
95.04966	2.0
95.08614	5.8
97.02898	6.2
97.06544	1.3
97.10194	1.0
99.04469	1.0
101.02380	1.7
103.03947	0.6
105.07025	2.6
107.04947	0.6
107.08605	2.4
109.02880	1.7
109.06567	0.7
109.10164	4.1
110.03727	0.4
111.04406	0.8
111.08099	1.0
117.07027	1.1
119.08618	2.0
121.10119	2.5
125.00011	1.6
127.03927	1.5
129.07001	0.9
131.08597	1.5
131.53102	0.4
133.10144	1.7
135.11719	1.9
137.09634	0.9
145.10114	0.8
147.11731	1.1
149.09644	0.6
149.13264	0.7
157.10170	0.5
165.48296	0.4
175.11189	1.0
181.12209	0.5
184.07332	8.8
185.04213	1.0
188.06981	0.4
191.00079	0.4
193.12241	2.4
195.00365	0.4
210.98457	0.4
211.13289	2.0
239.23718	0.8
242.05910	0.5
243.08458	1.8
253.14201	1.4
267.15976	3.4
285.16769	0.5
289.25684	0.4
313.27350	4.1
335.25833	0.6
471.21927	4.4
493.17059	1.0
505.38950	2.0
519.29266	7.8
523.40094	2.6
552.39697	0.5
749.44409	100.0
750.44751	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
53.55141	1.6
55.01869	4.6
55.05510	21.8
55.45300	1.6
57.03444	22.5
57.07077	48.0
65.03944	3.0
67.05505	41.8
69.03442	9.3
69.06805	1.4
69.07076	16.5
71.01340	1.9
71.04985	6.5
71.08635	37.0
71.89462	1.6
73.02906	2.1
79.05496	23.7
81.03419	92.7
81.07060	39.7
83.04990	15.6
83.08624	32.9
85.02907	12.9
85.06542	2.5
85.10187	19.9
86.09708	4.1
89.06050	2.7
91.05483	29.2
93.07048	18.1
94.04177	3.1
95.04974	28.5
95.08620	33.8
97.02892	7.3
97.06514	4.5
97.10178	9.0
98.20744	5.2
98.98466	2.6
99.04456	4.2
105.07027	22.2
107.04955	7.7
107.08589	10.4
109.02872	9.6
109.06525	6.1
109.10159	18.8
110.03664	4.5
111.04440	14.2
111.08071	11.1
112.78975	1.9
115.05434	2.9
117.07017	4.7
119.08572	18.9
119.76702	1.6
121.06495	4.4
121.10140	8.7
123.04437	2.6
123.11706	7.1
125.00027	2.2
125.09624	2.4
127.03891	3.4
129.07021	13.2
131.08557	15.1
133.06468	3.1
133.10126	9.1
135.11668	3.0
137.05954	7.2
137.09627	3.4
137.13254	3.0
142.07788	2.8
143.08591	2.1
145.10126	5.6
147.08051	6.4
147.11678	18.6
149.05946	1.9
149.09605	8.4
153.12793	2.5
157.10126	17.5
159.11708	2.4
163.11107	4.7
163.12398	1.7
165.12720	3.2
172.00966	1.8
173.13127	2.1
175.00603	5.9
175.11172	17.9
183.11729	2.0
184.07376	11.5
191.00072	7.3
191.10663	2.7
193.10455	3.1
193.12244	57.3
209.11749	1.8
211.13300	53.6
227.12775	5.9
229.14212	2.5
235.13271	7.9
239.17990	2.4
239.23714	13.9
249.14870	4.5
257.18912	2.0
257.24649	2.3
259.13434	2.2
267.15915	76.1
268.16202	3.3
275.20041	5.0
277.14240	1.9
285.17062	10.0
309.16895	4.0
313.27371	100.0
314.27539	2.0
349.23792	2.8
410.32642	1.6
419.13553	5.0
423.46609	1.9
428.49725	1.9
493.17252	18.0
505.38882	52.1
506.39236	2.0
523.39972	53.0
524.40265	2.9
539.28595	5.3
576.41510	1.9
583.65887	1.7
587.46375	6.9
590.44604	3.2
632.60437	1.8
682.63794	2.2
731.40479	2.1
734.64844	1.7
749.41095	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	748.512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01871	4.0
55.05515	25.9
56.05042	1.5
57.03446	5.6
57.07081	53.4
59.07707	1.2
65.03931	2.8
67.05511	54.6
69.03429	1.4
69.07072	27.8
69.29207	1.8
69.29604	9.3
71.05006	2.2
71.08638	52.0
79.05499	31.6
79.05968	1.4
80.05019	3.3
81.03429	6.0
81.07063	61.6
82.06581	2.7
82.07395	1.3
83.04988	8.4
83.08628	21.9
83.09113	1.4
84.08144	1.3
85.06541	3.0
85.09738	1.4
85.10194	19.6
91.05488	31.3
93.06485	2.6
93.07050	35.0
94.06570	1.2
94.92933	1.2
95.04981	9.1
95.08614	52.9
97.06528	7.7
97.10175	8.8
98.06044	3.2
98.98478	5.0
99.08102	15.8
105.04496	2.5
105.07042	20.5
107.04956	2.7
107.08603	17.9
108.08114	1.3
109.06516	4.2
109.10161	18.4
110.10507	1.2
111.08076	3.6
111.11720	2.3
113.09644	2.0
115.05462	1.7
117.07037	9.0
119.08589	11.0
121.10170	9.5
123.08134	2.0
123.11735	7.3
125.00006	1.4
125.09615	2.0
126.12801	2.7
129.07018	4.7
131.08617	8.0
133.10139	11.3
135.08022	1.7
135.11685	10.0
137.13257	3.7
139.11131	1.2
143.08556	1.9
145.10129	5.1
147.11708	5.3
149.09616	2.0
149.13272	8.2
151.11201	16.5
155.01122	1.7
159.11702	5.0
161.13281	8.3
161.95648	1.5
163.11186	12.5
165.12747	2.2
171.11694	3.7
175.14853	2.2
177.12769	5.9
179.14294	7.8
184.07372	5.1
195.13855	3.3
196.13338	1.4
217.15657	1.1
220.17014	13.7
224.10580	2.2
231.21164	1.7
233.15356	1.4
236.44168	1.1
238.18085	11.2
239.23715	4.4
241.19470	3.7
251.16469	4.5
253.18529	1.3
259.20630	3.2
269.17444	1.8
275.20035	2.2
277.21655	13.1
282.27887	7.0
283.15494	2.9
302.24823	3.9
313.27380	38.6
315.23181	3.5
318.14676	7.2
320.25824	6.6
333.24280	2.7
336.15744	1.9
341.30569	3.9
342.30905	1.7
351.25470	6.4
374.17435	3.1
392.18433	8.6
393.23660	1.3
401.03717	1.5
474.26233	1.6
491.41525	2.3
493.38922	3.5
507.40488	100.0
508.40598	4.9
532.42993	2.4
551.42285	2.2
571.47302	15.5
589.48315	79.0
590.48370	3.7
607.49579	13.1
630.41272	32.3
632.43054	1.5
650.44019	1.4
712.49304	6.7
716.99841	1.4
730.48865	1.8
748.46954	6.5
748.58282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01867	0.5
55.05507	2.0
56.83837	0.3
57.03442	2.5
60.08154	0.3
61.02930	6.1
65.03933	0.4
67.05141	0.3
67.05503	5.6
69.03432	3.8
69.07076	1.6
71.01360	0.8
71.05006	0.7
71.32136	0.3
71.49644	0.5
73.02923	4.1
76.89927	0.3
79.05500	4.0
81.03425	2.6
81.07062	5.4
83.08617	0.9
85.02911	5.9
85.06546	0.3
85.15815	0.3
86.09714	1.5
87.04494	0.7
88.07848	0.3
91.03959	3.6
91.04474	0.4
91.05484	3.2
93.07047	4.2
95.04975	0.7
95.08610	4.0
97.02899	5.2
97.06527	0.5
99.04475	1.0
101.02363	1.8
103.03970	0.5
105.07034	2.0
107.04964	0.4
107.08612	2.1
109.02896	1.1
109.06569	0.4
109.10167	1.5
115.03919	0.3
117.07092	0.4
119.08603	1.2
121.10144	2.2
123.11691	0.6
124.98964	0.2
125.00027	1.0
127.03928	1.5
131.08597	1.1
133.10161	1.0
135.11713	0.9
145.05008	0.3
145.10150	0.4
147.11757	0.8
149.13258	0.6
159.11755	0.4
161.13278	0.4
163.11302	0.3
173.13240	0.6
175.11316	0.3
184.07346	3.6
185.04250	0.5
185.07791	0.4
193.12253	0.4
203.05321	0.4
229.06747	0.3
243.08452	1.9
251.12607	1.1
324.61865	0.3
335.25949	0.8
353.56363	0.3
469.20584	3.3
519.29291	8.1
519.37085	0.4
704.58527	0.4
747.42914	100.0
748.43207	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	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05518	1.1
57.03448	1.8
57.49383	0.4
61.02934	4.1
64.38579	0.3
65.03932	0.4
67.05514	3.6
69.03439	2.5
69.07083	0.8
69.20001	0.7
69.20403	2.6
71.01371	0.4
71.04989	0.5
73.02927	3.5
79.05497	2.9
81.03432	2.9
81.07062	3.8
83.08618	1.1
85.02918	5.5
86.09698	0.8
87.75857	0.4
91.03964	2.7
91.05505	3.1
93.07056	2.1
95.04983	1.2
95.08613	2.6
97.02900	4.4
98.20671	0.7
99.04482	0.7
101.02397	1.4
103.03919	0.4
105.07058	1.7
107.08613	1.0
109.02928	0.9
109.10155	0.8
109.33919	0.3
117.07032	0.4
117.43075	0.3
119.08613	1.4
121.10182	1.3
125.00041	0.4
127.03929	1.3
128.38286	0.3
131.08601	1.3
132.73943	0.3
133.10170	1.1
135.11749	0.7
136.60674	0.4
147.11707	1.5
149.13287	0.4
149.60667	0.3
157.10173	0.8
184.07372	2.7
185.07762	0.4
193.12199	0.8
201.29163	0.4
243.08493	1.5
251.12474	0.5
469.20511	8.0
470.20874	0.5
519.29431	3.6
657.85059	0.4
747.42950	100.0
748.43280	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	747.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
54.07029	0.7
55.01872	1.2
67.05493	1.7
69.03096	0.5
69.03434	3.3
71.01347	1.0
71.03263	1.1
71.03610	0.7
71.04993	1.0
72.94386	0.5
77.03935	1.1
79.05492	5.3
81.03419	2.9
81.07043	1.7
85.02911	3.1
91.05486	3.0
93.07050	4.1
95.04974	64.4
97.02891	9.4
101.66353	0.5
103.05476	3.8
105.03390	0.9
105.04485	1.6
105.07040	0.7
106.47601	0.6
107.04960	41.8
109.02885	22.0
109.06540	1.3
119.04952	1.4
121.06509	9.5
123.04436	13.7
125.02357	23.5
125.05986	3.9
127.03922	2.5
131.04939	2.9
131.05853	0.6
133.02846	1.8
135.04433	2.3
137.06003	1.3
145.04987	0.6
149.05988	13.0
151.03909	100.0
152.04227	1.6
153.05476	7.3
159.04416	1.7
167.07022	0.9
175.03912	1.1
177.05486	22.3
181.04892	0.6
193.04991	1.9
195.06543	55.4
196.06905	0.5
211.06020	7.3
213.07600	13.4
219.29788	0.8
229.07036	1.9
295.08020	1.3
303.08734	0.9
321.09491	0.9
339.10718	4.4
357.11850	3.6
416.34149	0.6
507.67953	0.5
591.21783	0.6
651.15790	0.6
662.68280	0.7
775.38293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01869	0.9
56.03504	0.6
62.18749	0.5
67.05490	2.2
69.03433	3.5
71.01353	1.3
71.04984	0.8
71.09740	1.2
77.03894	1.6
79.03616	0.6
79.05491	5.2
79.40746	0.6
81.03417	3.9
81.07059	2.0
81.38924	0.5
85.02898	3.5
91.05515	2.7
93.07055	4.3
95.01303	0.7
95.04971	63.4
97.02896	9.6
97.06561	0.9
99.04494	0.7
103.05460	4.5
105.04518	1.8
105.07055	1.3
107.04960	45.8
109.02881	21.2
109.06522	1.3
111.04472	0.6
115.66836	0.5
119.04929	0.7
121.06508	9.1
123.03577	1.0
123.04433	13.9
125.02356	21.4
125.03280	1.1
125.05959	4.0
127.03909	2.7
131.04962	2.9
133.02806	1.5
133.06548	0.7
135.04414	3.2
147.04369	1.5
147.96675	0.8
149.05980	15.2
149.49005	0.5
151.03908	100.0
152.04234	1.2
153.04291	1.0
153.05453	6.8
159.04465	2.7
167.07069	0.9
177.05482	21.9
193.04913	2.8
195.06540	55.3
196.07011	1.1
209.94333	0.6
211.06033	8.0
213.07588	12.9
229.07108	2.2
256.89633	0.6
295.08096	1.3
303.08469	0.6
321.09628	1.0
324.12421	0.5
339.10684	3.8
352.16843	0.6
357.11774	2.7
523.14374	0.6
620.27002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.4
55.01882	2.5
55.05274	2.3
55.05516	26.8
57.03439	12.6
57.07083	10.0
61.02928	3.9
65.03957	1.6
67.05509	38.3
69.03428	4.4
69.07069	27.9
71.04991	4.8
71.08637	3.9
71.49422	2.5
79.05495	24.1
81.03422	45.6
81.07061	37.8
82.19527	1.4
82.70429	1.3
83.04978	14.7
83.08622	35.7
85.02912	19.7
85.06539	2.2
85.10171	2.8
86.09701	5.6
89.06022	2.6
91.05484	26.4
91.06025	2.1
93.07049	23.0
95.04974	20.3
95.08614	27.2
97.02888	5.3
97.06526	4.5
97.10191	12.0
99.08075	1.7
105.07040	17.6
107.04953	4.8
107.08592	8.4
109.06517	3.2
109.10151	11.6
111.04443	1.6
111.08083	8.4
111.11707	2.0
113.05972	1.9
115.05526	1.7
117.07051	2.4
119.08596	16.7
121.10142	16.5
123.08076	2.6
123.11698	3.5
125.00044	2.7
129.06972	7.8
131.08553	9.1
133.06621	1.3
133.08588	2.8
133.10121	8.4
135.11731	8.8
139.11163	1.5
145.10097	2.3
147.07988	2.9
147.11710	10.3
149.09605	5.8
149.13303	3.1
157.10136	10.5
165.12772	2.3
175.11180	10.8
184.07373	13.6
193.12271	35.0
195.00288	1.8
211.13292	54.7
218.22815	1.5
246.69899	1.4
247.00409	1.5
265.25244	3.0
267.15915	19.3
285.16977	69.9
286.17310	2.4
294.88947	1.5
339.28958	72.0
340.29419	2.6
451.13379	1.6
491.37170	2.1
531.40387	13.4
549.41541	100.0
550.41705	6.0
575.38800	1.6
746.43884	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	746.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
53.94745	1.8
55.01866	8.4
55.05510	36.8
57.03431	5.9
57.07076	70.2
62.06080	3.8
65.03934	5.4
67.05506	88.4
69.06692	2.9
69.07069	54.5
69.19240	11.0
69.19666	9.9
71.04967	4.2
71.08632	48.4
79.05492	57.0
80.05010	4.2
81.03412	8.8
81.07056	99.0
82.06557	5.0
83.04971	10.6
83.08614	36.6
85.06547	3.8
85.10182	28.9
86.09711	4.2
89.06026	4.4
91.05477	55.2
93.07040	59.2
95.04959	11.4
95.07987	4.3
95.08607	88.8
96.08128	2.3
97.06551	12.8
97.10165	13.7
98.98450	6.3
99.08075	2.6
103.05485	2.0
105.04517	4.1
105.07031	47.2
107.04946	11.0
107.08586	30.7
109.06517	8.3
109.10156	27.7
111.08089	5.7
113.09628	4.5
115.05463	3.7
117.07021	25.0
119.08583	31.7
121.06496	6.2
121.10152	14.0
123.08075	2.7
123.11698	9.4
125.00010	5.4
125.09591	2.6
128.06232	2.6
129.06981	11.2
131.08578	23.7
133.06505	3.1
133.08577	2.4
133.10155	20.7
135.08055	5.0
135.11685	11.7
141.06996	3.8
143.08574	8.3
144.09312	2.8
145.10115	23.4
147.08015	2.8
147.11708	14.2
148.20972	2.6
148.72729	1.7
149.09604	21.5
149.13237	8.8
151.11159	3.4
153.66757	1.9
155.01018	4.5
155.08498	3.3
157.10141	5.4
159.11710	16.6
161.09615	1.9
161.13281	6.1
163.11195	17.1
165.12762	2.1
169.10132	5.4
171.11694	9.1
173.13275	7.6
175.11217	2.9
177.12743	5.3
177.96443	1.9
179.14305	6.2
184.07353	20.6
185.13190	3.6
191.10622	2.4
195.13747	4.6
197.13225	5.0
199.14722	3.3
220.16974	14.0
222.08842	6.0
229.19571	3.1
233.15451	2.6
238.18010	8.7
239.17967	6.9
239.23717	6.9
251.16624	3.6
257.19073	12.6
272.30908	2.2
275.17435	1.7
275.20056	47.4
275.22842	3.6
282.27960	15.7
293.21152	6.0
300.23260	2.9
310.97662	2.1
313.21786	3.9
313.27338	52.1
318.14569	8.1
318.24210	6.1
331.22565	3.5
336.25143	2.3
349.23676	10.9
374.17477	3.6
392.18173	10.3
431.42294	2.0
436.28116	2.3
467.37350	3.3
493.38928	26.9
507.40445	100.0
508.40176	5.4
532.43628	2.5
547.43726	7.7
569.45807	17.7
587.46692	92.3
588.47247	4.7
605.47614	30.4
616.39331	2.7
630.41345	31.8
658.03357	2.4
710.47064	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	746.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05038	0.5
58.06631	0.5
60.08164	5.9
67.05498	0.7
69.07088	0.2
69.88658	0.8
70.06590	0.2
71.07372	3.5
79.05499	0.5
81.03429	0.2
81.07050	0.5
82.89154	0.2
86.09705	30.7
91.05499	0.4
93.07047	0.4
95.04951	0.2
98.21497	0.2
98.98459	3.3
102.01553	0.2
104.10743	2.0
105.07060	0.2
107.08586	0.3
125.00005	20.4
131.08571	0.2
137.19434	0.2
143.01031	0.2
184.07339	100.0
185.07678	0.7
192.56345	0.2
629.40619	0.2
728.44971	7.6
729.46472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
58.06367	0.2
58.06637	0.4
59.07397	0.1
60.08169	6.1
67.05508	0.3
70.06617	0.1
71.07379	3.5
71.46346	0.1
71.49075	0.1
77.86811	0.1
79.05486	0.1
79.46281	0.1
79.77177	0.1
81.07054	0.3
86.09711	31.7
87.10065	0.2
91.05479	0.2
93.07032	0.3
95.08631	0.2
98.98471	3.1
104.10742	2.7
105.07080	0.1
109.10209	0.2
125.00014	21.3
131.08591	0.2
133.10168	0.2
143.01010	0.3
146.60052	0.1
166.02638	0.1
173.92711	0.1
184.07352	100.0
185.07658	0.8
197.04373	0.1
257.45059	0.1
362.37891	0.1
450.22556	0.2
535.89630	0.1
728.44983	9.1
729.45135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.19041	0.3
55.01865	0.8
55.05517	1.7
55.07776	0.3
57.03439	2.4
57.07075	0.3
61.02652	0.6
61.02935	6.5
66.01324	0.3
67.05502	5.2
69.03427	3.5
69.07069	1.2
71.01355	0.4
71.04994	0.8
73.02922	4.5
75.64761	0.3
79.05492	4.2
79.75166	0.3
81.03423	1.8
81.07066	5.1
82.07408	0.4
83.01352	0.5
83.04993	1.0
83.08630	0.8
85.02909	6.8
86.09724	0.5
87.04478	0.6
91.03967	3.5
91.05478	2.8
93.07043	4.5
95.05006	0.6
95.08601	3.8
97.02892	5.1
97.06544	0.5
99.04456	0.8
101.02378	1.9
105.07048	1.3
107.05000	0.5
107.08580	2.1
109.02916	0.9
109.10158	1.9
115.03957	0.6
117.07050	0.6
119.08577	1.5
121.10159	2.3
123.08071	0.4
123.11716	0.6
125.00031	0.4
127.03905	1.6
131.08617	0.5
133.10120	0.6
135.11702	1.9
141.21985	0.3
145.10159	0.8
145.16649	0.3
149.13242	0.3
163.11240	1.3
174.74437	0.3
184.07413	1.3
185.04253	0.6
203.05341	0.6
229.26953	0.3
243.08434	1.7
249.11131	0.6
258.08899	0.7
335.25830	0.9
409.82458	0.4
467.18851	3.9
496.67661	0.3
519.29297	10.6
563.03571	0.3
745.41302	100.0
746.41504	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05509	1.6
57.03445	2.8
60.08161	0.9
61.02929	6.0
61.28890	0.5
67.05507	5.5
69.03438	3.2
69.07072	1.8
70.60165	0.7
70.60483	0.8
71.04996	0.9
71.07383	1.2
73.02917	3.6
79.05501	4.2
81.03430	2.4
81.07054	6.1
83.04986	0.6
83.08615	1.0
85.02911	5.4
86.09705	7.1
87.10039	0.8
91.03946	2.3
91.05490	3.3
93.07056	5.0
95.04995	1.0
95.08622	5.7
97.02903	4.7
98.09733	0.4
98.98485	1.2
101.02402	1.5
105.07051	1.3
107.08605	2.1
109.02908	1.3
109.10187	2.0
116.03455	0.5
117.07032	1.2
119.08593	1.6
121.10178	1.7
123.11680	0.5
125.00012	5.5
127.03928	1.0
131.08612	0.9
133.10129	1.2
135.11693	2.6
145.10178	1.3
149.13339	0.6
159.11787	0.5
163.11226	1.3
170.44191	0.4
179.45929	0.4
184.07350	25.0
185.07686	2.8
213.13985	0.5
219.10016	0.5
227.12875	1.3
243.08481	1.9
249.11011	9.8
305.09476	0.5
305.13556	1.0
335.26102	0.5
467.18918	4.8
489.42050	0.4
519.29364	8.3
547.39087	0.6
548.39526	1.3
745.41315	100.0
746.41559	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52517	0.4
53.03948	1.0
55.01868	0.5
55.05516	2.6
55.25357	0.4
56.63255	0.4
57.03436	2.4
60.83207	0.4
61.02929	4.7
65.03949	0.6
67.05505	6.5
68.05851	0.5
68.70450	0.4
69.03431	4.0
69.07072	1.4
69.86872	2.2
71.01333	0.7
71.04980	0.9
73.02918	3.4
79.05495	4.3
81.03409	4.0
81.07053	6.7
82.07411	0.5
83.04996	1.2
83.08622	2.0
85.02904	6.2
86.09712	0.5
91.03955	3.4
91.05504	3.1
92.05820	0.4
93.07048	4.1
94.07406	0.5
95.04987	1.3
95.08613	4.3
97.02892	4.5
97.06542	0.7
98.21466	0.5
99.04470	0.8
101.02378	2.3
105.07049	1.7
107.04933	1.0
107.08619	2.5
109.02873	1.1
109.06540	0.6
109.10156	2.0
111.08096	0.8
117.07034	0.7
119.08601	2.0
121.06549	0.4
121.10168	1.6
123.08071	0.8
123.11716	0.6
125.09647	0.5
127.03947	1.6
131.08615	1.2
131.10275	0.4
133.10129	0.8
135.11719	1.4
145.10132	1.9
147.11694	0.7
163.11241	1.6
177.16409	0.5
178.92401	0.5
184.07375	2.2
185.04324	0.6
193.12239	1.1
194.12685	0.5
211.13359	1.4
243.08463	1.8
267.16000	0.6
283.15347	0.8
285.16971	1.2
304.29092	0.4
319.98221	0.4
337.27484	1.9
338.27795	1.8
339.63419	0.4
433.85675	0.5
467.18890	8.3
474.28146	0.5
490.36047	0.9
519.29321	4.7
547.39960	1.4
548.40375	4.2
745.41296	100.0
746.29608	0.3
746.41785	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	745.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
53.96013	0.7
54.62713	0.7
56.53997	0.8
57.03440	2.0
57.07069	1.0
57.80304	0.7
61.02930	4.2
62.53614	0.7
67.05503	2.6
68.49453	0.7
68.60806	0.7
69.03427	2.6
69.07017	1.2
71.05000	1.6
73.02922	3.4
79.05501	3.0
81.03426	3.9
81.07062	1.8
83.04951	0.9
83.08585	1.1
85.02922	4.3
91.03972	2.7
91.05495	2.3
93.07072	1.9
95.08609	0.9
97.02895	4.5
98.20811	2.0
99.04499	1.0
101.02407	2.3
105.07060	1.5
107.05010	1.1
107.08619	1.7
109.10194	0.9
110.20735	0.7
111.08079	0.8
119.08606	1.5
121.10184	2.2
127.03912	1.7
129.05486	2.3
129.07030	1.1
137.06012	1.8
147.11739	1.6
147.95653	0.8
149.09641	1.1
156.01918	0.8
167.06964	0.9
175.11191	1.0
181.04977	0.9
185.04247	5.1
186.07037	0.8
193.12280	1.7
194.94890	0.8
196.40546	0.8
201.03714	1.5
207.13670	1.1
211.13399	1.0
225.14786	0.8
243.08307	3.8
251.12589	1.3
253.14291	0.9
267.15967	0.9
283.15192	12.4
301.08936	17.6
309.16788	3.8
315.10580	5.8
323.18420	4.4
341.12067	1.2
355.14328	1.0
357.15335	1.9
369.15302	1.0
373.10950	6.0
381.18826	7.7
383.17166	1.7
385.18408	9.3
399.20013	3.8
415.15775	1.3
427.19464	9.7
429.17368	2.0
433.77716	0.9
441.21198	1.8
443.19064	1.7
465.28235	4.5
469.20572	3.0
483.22083	2.5
485.20319	1.7
499.21597	5.5
501.23251	24.1
502.22903	1.0
511.29117	2.4
516.21686	1.8
517.22565	1.5
529.22589	17.7
543.24554	0.9
545.22266	1.7
567.31421	1.1
571.28009	1.1
573.25256	14.3
587.27094	3.1
601.28534	4.1
613.32227	3.7
615.30060	2.8
629.31079	1.6
639.34406	0.8
641.31311	3.1
643.32996	6.5
683.35864	1.4
727.35095	3.3
728.35486	1.2
745.36194	100.0
746.36401	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	745.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44533	0.5
54.22117	0.5
55.05507	1.1
55.76245	0.4
57.03431	1.5
59.04982	0.7
61.02929	4.8
63.97584	0.4
65.86450	0.4
67.05507	5.8
69.03442	2.5
69.07082	0.6
69.39914	2.1
69.40351	1.7
71.04980	0.8
73.02920	2.9
79.05500	1.4
81.03425	4.8
81.07061	2.2
83.05006	0.9
83.08620	1.5
85.02909	5.4
91.03953	2.4
91.05507	2.5
93.07072	1.5
95.05001	1.5
95.08603	0.8
97.02898	4.3
101.02374	1.0
105.07047	1.9
107.08613	0.7
109.02911	1.0
109.10168	6.2
111.08095	0.9
119.08614	1.4
121.10145	1.1
127.03936	1.3
131.08548	0.9
133.10135	0.9
136.98814	0.5
137.05984	0.8
147.11708	0.5
155.10704	1.2
157.10155	0.9
158.61371	0.6
173.11739	2.5
175.11177	0.9
193.12251	1.7
211.13371	0.7
226.50276	0.5
229.14423	1.6
243.08386	3.2
250.73827	0.5
251.12633	1.4
307.15350	0.7
413.17871	10.0
469.20425	10.7
585.47247	0.6
641.31458	100.0
642.31665	5.3
699.36273	0.6
727.34827	1.3
729.74902	0.5
745.36060	12.3
746.36646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01873	2.1
67.05500	3.1
69.03423	3.8
69.45886	4.7
69.46294	1.5
71.01356	1.3
71.04974	1.9
77.03928	1.5
79.05495	7.2
81.03419	5.0
81.07051	2.5
85.02921	3.6
91.05485	5.3
92.92201	0.8
93.07062	4.5
94.49095	0.9
95.04973	69.6
97.02888	9.0
97.06528	0.9
102.26665	0.8
103.05470	7.0
105.04522	3.3
105.07027	2.6
107.04964	47.0
109.02888	29.4
109.06526	2.8
111.04472	1.0
116.96221	0.9
121.06504	11.3
123.04427	15.6
125.02356	31.5
125.05984	4.6
127.03919	3.8
131.04945	4.7
133.02844	1.0
133.06500	1.4
135.04422	3.2
137.05975	13.1
137.06950	1.3
139.03896	1.2
144.08092	1.6
145.04962	1.2
147.04399	0.9
149.05992	17.1
151.03911	100.0
152.04300	1.4
153.05478	9.2
159.04434	4.8
163.03943	1.0
165.05540	5.5
167.07063	5.6
175.03984	1.5
177.05484	32.3
181.04956	1.4
191.07172	1.4
195.06546	66.8
209.08153	3.5
213.07574	12.9
219.68813	0.9
227.09193	3.5
295.08112	2.0
321.09625	2.0
339.10788	7.5
357.11942	4.3
387.14471	4.3
603.01331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01875	5.2
55.05516	21.3
57.03440	11.4
57.07078	6.8
57.32760	1.0
59.04996	2.1
61.02922	3.8
65.03954	0.7
67.05505	19.8
69.03429	0.9
69.07071	19.7
69.83811	4.2
71.04990	2.8
71.08637	3.4
73.02923	1.6
79.05495	17.4
81.03436	6.3
81.07059	23.7
83.01340	5.0
83.04977	8.9
83.08150	1.6
83.08624	21.5
85.02915	4.4
85.06571	2.3
85.10178	1.6
86.09719	2.2
91.03973	1.7
91.05497	8.9
93.07049	19.9
95.04970	6.1
95.08611	18.6
97.02908	3.0
97.06525	4.9
97.10170	9.5
99.04462	2.2
99.08105	0.9
105.07037	7.6
107.04965	7.3
107.08607	12.3
109.06538	5.4
109.10161	6.4
111.04456	2.7
111.08089	1.9
111.11731	2.1
113.06041	0.7
117.07018	6.0
119.08582	6.0
121.06538	2.6
121.10153	11.9
123.08059	6.2
123.11699	1.8
125.00015	1.6
125.05985	1.5
125.09676	1.2
130.07777	0.9
131.08566	2.1
133.10164	1.8
135.08031	1.7
135.11711	12.6
139.11159	0.7
145.10139	11.7
147.11610	0.9
149.09625	1.1
149.13281	2.1
153.12779	2.4
163.11189	16.3
163.14784	1.3
167.47421	0.8
169.93973	0.8
173.09634	1.6
181.12262	1.6
184.07373	8.4
191.10706	2.1
209.11726	6.0
227.12808	2.4
249.39169	0.9
258.41788	0.8
265.25220	1.6
275.20258	0.8
283.15414	100.0
284.15744	2.5
290.26144	0.8
291.19354	1.8
307.36890	0.8
339.28961	70.9
340.29276	2.3
399.16849	0.8
547.39960	43.9
548.40137	2.2
643.84857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01855	1.1
55.05315	1.1
55.05516	13.2
56.32875	1.2
57.03458	6.5
57.03698	1.6
57.07083	2.1
59.05010	2.7
61.02916	3.8
65.03936	2.6
67.05510	93.8
69.03429	2.7
69.07075	12.3
69.99872	3.1
70.00264	2.8
71.05002	21.1
79.05077	2.2
79.05502	35.6
81.03415	3.1
81.06597	2.4
81.07059	39.7
83.04977	4.7
83.08626	7.2
85.02889	1.9
85.06528	2.8
86.09706	1.5
91.05490	25.3
93.07049	37.3
95.04965	3.7
95.08614	30.4
97.02883	1.3
97.06513	4.5
97.10178	2.6
105.07041	9.5
107.08605	22.0
107.61894	1.3
109.06524	2.0
109.10168	59.0
111.08064	3.9
117.07035	6.0
119.07836	1.5
119.08586	16.6
121.10156	16.5
123.08054	1.5
123.11720	1.7
131.08562	5.6
133.10095	6.1
135.11705	15.4
137.09634	11.8
139.11206	1.3
143.08611	1.3
145.10191	6.1
147.11678	4.8
149.13252	3.6
155.10663	4.5
157.09982	1.3
159.11690	3.8
161.13226	3.3
163.11179	4.3
173.11723	5.1
173.13173	2.3
179.14322	1.3
181.12262	2.2
184.07372	5.6
187.13312	1.4
192.78590	1.1
201.16304	1.5
211.13321	1.2
213.14793	2.3
243.15964	2.7
255.15892	5.0
261.22183	3.1
287.18512	21.0
335.25815	25.9
379.30032	2.1
397.31009	1.7
423.32657	1.7
471.34753	5.1
489.35776	100.0
490.35959	5.6
503.37128	4.6
515.37305	13.3
547.40009	70.8
548.39899	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01871	4.2
55.05510	25.9
57.03439	19.0
57.07066	3.1
61.02910	5.1
65.03925	4.3
67.05506	75.9
68.05880	1.2
69.03416	4.4
69.07069	23.9
70.01109	5.7
71.04996	8.2
73.02895	1.7
78.04715	1.1
79.05494	36.6
81.03423	50.5
81.07059	64.2
83.04984	15.4
83.08620	26.4
85.02907	22.4
85.06552	1.7
86.09694	4.1
91.03945	2.3
91.05481	36.7
93.06483	2.3
93.07045	32.3
94.73602	1.4
95.04969	22.1
95.08612	44.4
97.02875	4.9
97.06506	6.7
97.10171	9.8
99.08091	1.9
105.07034	28.4
107.04961	7.9
107.08599	18.1
109.06501	6.3
109.09476	2.6
109.10155	27.1
111.04526	1.3
111.08107	8.0
113.05974	1.6
115.05445	2.0
117.07026	2.2
119.04974	1.7
119.08578	23.7
121.06530	1.3
121.10160	14.0
123.08067	3.1
123.11725	6.9
124.99998	2.5
125.09639	1.5
129.07004	9.0
131.08578	8.9
133.06453	1.9
133.10146	11.8
135.11668	7.2
137.09599	2.4
142.07785	2.1
145.10141	1.8
147.08115	1.8
147.11707	13.9
149.09627	5.1
149.13257	2.4
157.10124	12.3
159.11760	1.3
161.13281	3.2
163.11163	3.5
165.12762	2.9
171.11719	1.2
175.11206	12.0
175.14813	2.0
179.14304	1.2
182.14923	1.2
184.07315	14.1
189.11282	1.4
193.12241	36.7
208.57330	1.2
211.13298	57.8
232.84116	1.3
245.22723	2.5
263.23599	3.7
267.15930	15.4
285.16949	63.1
286.17328	2.0
287.18430	4.0
335.25766	3.7
337.27380	62.0
338.27945	1.8
355.95636	1.4
489.35776	13.3
503.37860	1.8
529.38818	12.0
547.39948	100.0
548.40338	5.5
744.45752	4.6
745.40613	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
53.04150	1.0
55.01864	2.7
55.05514	25.4
56.48122	0.9
57.03198	1.4
57.03440	15.7
57.07069	3.2
58.96511	1.1
59.04999	1.4
61.02933	5.5
65.03929	2.0
67.05507	66.4
69.03410	4.1
69.06737	1.4
69.07072	19.7
71.04992	8.0
73.02905	1.1
77.97751	1.0
79.05495	32.7
81.03424	45.0
81.07059	62.7
83.04984	15.3
83.08153	1.9
83.08620	24.8
85.02437	1.7
85.02908	20.3
85.06510	2.7
85.10166	1.1
86.09715	3.6
91.03955	1.3
91.05490	34.9
93.07050	30.1
94.07402	1.1
95.04980	17.9
95.08612	39.9
97.02893	3.1
97.06519	4.7
97.10177	7.0
97.51875	1.0
98.21503	4.0
99.08064	1.9
105.07036	21.5
107.04958	6.3
107.08588	14.6
109.06522	3.3
109.10155	21.2
111.04449	1.0
111.08105	8.7
111.11726	1.1
113.05992	2.0
117.07039	3.4
119.08572	18.9
121.06483	2.0
121.10143	13.9
123.08057	2.6
123.11736	6.4
124.99989	4.3
125.09638	2.5
127.03959	1.1
129.07033	8.2
131.08565	11.7
131.82201	1.0
133.06511	1.8
133.10130	12.7
135.11697	6.2
137.09576	2.9
137.13205	1.5
139.11143	1.0
142.07709	1.6
145.10129	4.1
147.08052	2.5
147.11716	14.7
149.09622	4.2
149.13293	1.3
153.12675	1.1
157.10121	9.1
161.13274	2.3
162.38727	1.1
163.11148	2.1
163.14807	1.5
165.12772	3.0
175.11206	10.7
175.14830	1.4
184.07324	10.7
193.12259	36.6
199.79962	1.1
211.13297	62.1
234.44313	1.1
245.22670	2.3
263.23660	2.6
267.15958	16.1
285.16983	71.3
286.17249	3.0
287.15335	1.2
287.18521	3.2
319.26221	1.1
335.25781	7.9
336.26166	1.4
337.27371	66.3
338.27771	2.1
357.08432	1.2
489.35608	18.9
515.37598	1.6
529.38843	11.1
547.39990	100.0
548.40308	5.4
656.77271	1.2
671.90881	1.1
744.45221	2.9
745.40845	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	744.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01891	2.0
55.05523	12.8
56.06816	0.8
57.03430	1.3
57.07083	17.8
67.04817	1.9
67.05203	3.6
67.05516	19.5
69.03428	2.6
69.06738	1.6
69.07080	22.1
70.61790	0.9
70.96531	0.9
71.05008	1.4
71.08641	12.5
71.49338	1.3
79.05502	11.5
81.03429	3.4
81.07064	17.5
83.04993	1.6
83.08639	8.6
85.10197	5.6
91.05505	7.3
92.66393	1.0
93.07063	9.0
95.04984	3.5
95.08068	1.3
95.08622	14.1
97.02898	3.6
97.06541	2.2
97.10184	7.4
98.06085	1.0
98.73417	0.9
98.98495	2.2
105.07053	5.3
107.04970	3.7
107.08590	6.1
109.06520	2.4
109.10176	9.1
110.36761	0.9
117.07020	3.3
119.08617	5.7
121.06470	1.1
121.10181	1.4
122.40396	0.9
123.08089	1.2
123.11713	2.6
125.00020	2.1
125.09651	4.0
129.07005	0.9
131.08559	3.2
133.10138	2.9
135.08073	2.0
135.11703	1.4
143.08594	1.8
145.10138	2.8
147.08080	1.9
149.09584	1.0
155.01044	1.5
156.09500	0.9
159.11751	1.6
165.09174	0.8
177.12695	1.1
184.07362	5.0
185.13348	1.1
205.12376	1.7
223.13324	9.9
228.58987	1.3
239.23692	2.0
249.14963	0.8
273.18469	6.7
282.27936	3.3
283.71222	0.9
291.19583	42.2
292.20163	1.7
309.44797	0.9
310.62271	0.8
313.27402	6.1
334.23764	2.2
365.23257	4.1
393.23734	0.9
427.19040	1.4
521.38483	1.2
535.39624	1.3
585.44897	3.2
603.46259	100.0
604.46704	5.7
612.47717	1.0
691.96893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01853	2.4
55.05511	7.8
57.03444	5.5
60.08159	5.9
61.02913	1.1
61.59312	0.7
61.60736	0.7
63.60112	0.7
65.03942	1.0
67.05505	26.8
69.03432	1.5
69.07066	8.4
71.01331	1.1
71.04971	2.3
71.07360	3.4
71.49150	1.2
73.39989	0.7
75.23352	0.8
79.05495	21.7
81.03414	4.7
81.07056	20.2
83.04978	4.3
83.08620	3.6
85.02890	1.4
85.06550	1.5
86.09708	32.1
91.05485	14.2
93.07042	26.3
93.31784	0.8
95.04992	3.7
95.08610	9.6
97.02882	1.6
97.06517	6.1
97.10143	3.9
98.98444	3.7
99.08075	0.8
104.10716	2.5
105.07031	8.2
107.04958	2.5
107.08585	15.9
109.06518	0.9
109.10152	4.0
111.04478	0.9
111.08062	1.6
117.07021	4.5
119.08600	6.5
121.06517	1.6
121.10147	5.9
123.08070	1.0
123.11659	1.0
125.00007	19.9
125.09625	1.4
129.07002	2.1
131.08597	4.3
133.10077	5.5
133.41321	0.7
135.08047	1.4
135.11694	16.5
137.09579	0.9
143.08583	1.2
145.10114	4.9
147.11711	1.9
149.09602	2.1
149.13245	3.2
157.10120	1.5
159.11682	3.0
160.32242	0.8
161.13223	1.0
163.11180	3.9
169.10223	0.9
172.18161	0.8
173.13223	1.5
177.12735	1.3
179.14281	0.8
181.12225	3.1
184.07343	100.0
185.07684	0.8
195.13863	1.0
247.20453	0.8
255.15916	28.8
257.18970	2.4
269.17502	6.2
275.20035	6.8
349.23846	4.1
377.19635	0.9
435.27448	9.9
449.28998	44.5
450.29453	1.4
502.81985	0.7
529.35333	7.7
547.36395	3.6
726.43750	4.4
744.43817	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	744.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01866	4.7
55.05518	17.4
57.03441	17.6
57.07064	2.1
60.08170	6.8
61.02920	1.8
65.03923	3.4
67.05508	59.0
69.03424	5.7
69.07071	23.6
69.83720	6.5
71.01357	3.5
71.04993	5.5
71.07368	3.7
76.09602	1.9
79.05495	53.3
81.03411	9.8
81.07060	48.7
83.04987	13.3
83.08614	11.4
85.02902	4.0
85.06552	5.3
86.09225	2.4
86.09710	32.5
91.05485	32.7
91.40005	1.3
93.07047	66.7
95.04981	6.9
95.08607	17.8
97.02894	3.6
97.06539	18.2
97.10162	9.9
98.98477	3.0
99.04439	3.3
99.08080	2.5
100.72279	1.5
104.10784	2.3
105.07033	22.0
107.04960	6.9
107.08596	39.0
109.06541	5.3
109.10153	9.1
111.04464	1.5
111.08072	4.3
117.07032	11.6
119.08595	16.3
121.06472	3.6
121.10149	13.3
123.08087	3.0
123.11739	2.3
125.00025	21.6
125.09644	4.4
127.03928	2.2
129.06961	1.8
131.08578	12.3
133.10115	14.5
135.08092	2.4
135.11697	49.5
137.09602	2.4
143.08557	3.1
145.10118	17.2
147.11685	7.9
148.50389	1.4
149.09657	10.5
149.13220	8.0
153.12778	1.6
157.10069	3.3
159.11668	9.8
161.13225	2.9
163.11206	10.4
165.12778	1.3
171.11717	2.8
173.04442	1.5
173.13359	3.4
177.12775	4.1
179.14314	2.7
181.12202	9.1
183.11707	2.5
184.07349	100.0
187.11140	1.6
189.11240	1.9
195.13864	2.7
227.12811	4.7
239.18004	2.7
255.15909	58.8
257.19000	8.8
269.17450	9.2
275.20062	22.5
293.21124	1.6
331.22769	1.4
349.23776	11.3
353.39105	1.4
409.25598	1.5
425.25555	2.6
435.27441	18.0
449.29022	63.6
450.29303	2.1
529.35223	26.1
547.36322	6.5
553.67255	1.5
726.43213	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	744.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09099	1.7
53.03934	5.8
55.01853	2.7
55.05513	17.1
57.03439	16.4
60.08153	5.3
61.02921	4.4
65.03924	3.8
67.05505	55.4
69.03417	6.7
69.07066	20.4
69.80836	8.6
71.01336	3.3
71.04983	4.9
71.07382	3.3
72.79191	1.5
73.02923	1.9
79.05495	54.8
81.03416	9.2
81.07063	41.4
83.04973	13.5
83.08621	6.6
85.02903	6.4
85.06533	4.3
85.16925	1.5
86.09705	34.4
90.64896	1.6
91.05481	46.3
92.05827	2.4
93.07041	59.5
95.04983	10.5
95.08611	21.0
97.02888	4.1
97.06522	14.2
97.10191	7.5
98.21260	4.7
98.98461	2.9
99.08103	3.5
105.04515	2.3
105.07030	31.5
107.04981	9.4
107.08594	37.6
109.06499	2.0
109.10171	9.2
111.08086	3.4
117.07011	15.8
119.08595	24.2
121.06492	4.3
121.10164	16.9
123.08069	4.2
123.11678	1.9
125.00003	22.5
125.09660	2.9
127.03948	1.8
128.06207	1.5
129.05515	2.2
129.07021	5.0
131.08553	12.0
133.10124	24.4
134.10478	2.0
135.08044	3.1
135.11699	45.3
137.09602	2.1
143.08543	7.0
145.10118	19.3
147.07948	2.1
147.11679	18.3
149.09590	5.6
149.13263	6.5
153.12839	1.9
157.10112	3.9
159.11688	12.6
161.13248	10.4
163.11165	8.9
171.11679	6.7
173.13275	6.1
175.14850	4.3
177.12732	2.7
179.14316	1.7
181.12181	10.3
184.07343	100.0
185.07642	2.6
185.13237	4.0
189.11198	2.0
195.13802	2.9
199.14879	2.4
213.98116	1.7
231.21086	2.6
241.19548	10.4
253.14392	5.0
255.15923	52.5
257.18991	3.7
259.20563	27.2
269.17471	6.1
275.20050	8.6
291.19562	2.3
293.21060	1.6
333.24234	13.4
349.23782	3.7
372.55124	1.6
439.32220	2.6
449.28979	21.4
450.29398	2.2
513.35779	15.2
529.35168	3.2
531.37170	8.7
535.00659	1.7
547.35187	2.0
697.55756	1.7
744.43610	3.2
745.40717	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	744.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05513	0.5
56.05036	0.9
57.03442	0.4
58.06604	0.5
60.08168	7.3
67.05508	1.3
68.61761	0.2
69.07072	0.4
71.07376	3.8
71.50005	0.3
71.50351	0.2
79.05490	1.3
81.03421	0.4
81.07049	1.3
83.08608	0.5
86.09709	32.7
91.05486	1.0
93.07053	1.3
95.08634	0.4
98.98470	3.8
100.41499	0.2
104.10745	3.1
105.07033	0.6
107.04946	0.5
107.08576	0.8
117.07015	0.3
119.08601	0.5
121.10249	0.3
125.00011	23.0
129.07008	0.2
131.08586	0.5
135.11682	0.8
140.31758	0.2
145.10127	0.3
147.11700	0.3
163.11203	0.2
184.07347	100.0
185.07690	1.6
227.37033	0.2
255.15971	1.1
260.70901	0.3
275.19910	0.5
346.36710	0.2
435.27753	0.2
449.28973	0.9
463.98962	0.2
529.35168	0.4
726.41772	0.4
744.44458	6.8
745.44360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00779	0.2
54.24959	0.2
55.05518	0.3
56.05032	0.8
58.06370	0.2
58.06612	0.4
60.08168	5.6
67.05512	0.8
69.07075	0.4
70.06591	0.3
70.77993	0.2
70.78353	0.6
71.07381	3.6
79.05501	0.6
81.07066	0.9
83.04978	0.2
85.86076	0.2
86.07099	0.3
86.09713	31.4
91.05489	0.7
93.07047	0.8
95.04955	0.2
95.08612	0.7
98.98478	3.9
104.10754	2.6
105.07043	0.5
106.58527	0.2
107.05043	0.3
107.08604	0.5
109.10188	0.4
121.10159	0.3
125.00014	20.6
133.10107	0.4
135.11694	0.3
145.10152	0.3
165.15424	0.2
184.07355	100.0
185.07704	0.8
186.07924	0.2
253.19695	0.2
449.28848	0.4
547.35754	0.2
592.49231	0.2
726.43359	5.0
727.43341	0.4
744.43518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05040	0.8
57.03441	0.2
57.08235	0.1
58.06622	0.5
60.08165	6.5
67.05513	0.8
69.07058	0.3
70.06575	0.2
71.06984	0.2
71.07373	3.4
71.33749	0.2
71.34076	0.2
79.05506	0.6
81.03408	0.3
81.07045	0.6
85.10259	0.1
86.09707	31.7
86.90859	0.1
87.10041	0.3
91.05475	0.5
93.07016	0.6
95.04969	0.2
95.08625	0.2
97.10187	0.2
98.98467	3.9
104.10743	3.1
106.29828	0.1
107.04948	0.1
107.08572	0.5
109.10193	0.2
116.99486	0.2
119.08605	0.2
121.10138	0.2
125.00005	22.2
129.06943	0.1
131.08591	0.1
135.11687	0.4
143.01024	0.2
147.11723	0.2
157.10106	0.2
166.02731	0.2
176.58826	0.2
184.07343	100.0
185.07677	0.9
192.06197	0.1
255.15944	0.4
275.20081	0.3
293.16782	0.1
360.42502	0.1
449.29004	0.3
480.84860	0.1
529.35052	0.3
547.37128	0.2
575.94220	0.1
614.52405	0.1
616.56921	0.2
690.13824	0.1
726.43091	0.2
744.44470	6.1
744.58105	0.3
745.44568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01877	0.9
55.05509	1.6
57.03440	2.0
61.02930	5.1
67.05507	6.7
67.79729	0.4
69.03440	2.9
69.03761	0.5
69.07070	1.1
70.18003	1.8
71.04993	0.8
71.08643	0.6
73.02921	3.0
79.05497	6.2
81.03429	1.6
81.07059	5.4
83.04973	1.0
83.08637	1.4
85.02903	4.7
87.04454	0.4
91.03965	2.7
91.05492	4.1
93.07058	6.0
95.04979	0.9
95.08605	3.7
97.02893	3.3
99.04446	1.0
101.02430	1.3
105.07057	2.9
106.41674	0.4
107.08601	2.3
109.06561	0.6
109.10183	1.7
115.03940	0.8
117.07072	0.6
119.08607	1.9
121.10171	1.5
127.03946	1.6
129.07024	0.7
131.08578	1.0
133.10175	1.3
134.97253	0.4
135.11726	1.6
145.05049	0.4
145.10109	1.2
146.09680	0.5
147.04398	0.4
147.11700	1.6
161.09692	0.5
161.13277	1.2
171.11768	0.7
178.12355	0.6
179.12648	0.5
184.07423	1.6
185.04260	0.5
243.08466	1.4
247.13200	1.6
276.09952	2.4
277.10529	0.9
335.25937	0.7
465.21017	4.8
471.08289	0.5
487.26804	0.5
519.29279	7.0
545.38605	1.0
743.43420	100.0
744.43652	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	743.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05508	1.4
57.03427	1.5
59.04992	0.8
61.02935	4.4
64.38644	0.4
67.05182	0.7
67.05511	8.1
69.03434	2.8
69.07067	0.5
71.05001	0.9
73.02930	3.0
76.19659	0.5
76.44415	0.4
79.05492	1.8
81.03419	3.1
81.07063	2.4
82.63077	0.4
83.04988	1.0
83.08615	1.3
85.02923	5.2
91.03957	3.2
91.05477	1.5
91.07610	0.4
93.07055	2.2
95.04973	1.2
95.08611	1.3
97.02901	4.2
99.04470	1.0
101.02376	1.7
105.07047	1.0
107.04954	1.1
107.08616	1.2
109.02912	1.0
109.10176	5.8
111.04414	0.5
111.08101	0.6
115.03913	0.5
119.08595	1.4
121.10141	0.7
123.08071	0.9
125.06047	0.6
127.03931	2.3
129.63551	0.6
131.08548	0.7
133.10159	0.6
135.11703	1.2
135.89781	0.5
137.06041	0.5
137.09625	1.1
145.05029	0.5
145.10146	1.8
155.10712	1.4
163.11227	2.3
173.11769	2.1
184.07379	0.6
185.04274	0.6
195.09950	1.2
224.56532	0.4
229.14430	1.5
243.08513	2.0
249.11014	0.6
251.12669	0.6
283.01874	0.6
283.15601	1.0
302.63278	0.5
305.13770	0.6
413.17914	9.4
434.85522	0.5
467.19019	8.9
558.78375	0.5
639.29907	100.0
640.30273	4.1
694.79059	0.5
743.34955	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	742.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.78334	0.9
54.16117	0.9
55.05504	5.9
56.05020	3.1
57.07062	3.5
59.33842	1.0
60.04508	2.0
67.05505	15.2
68.05011	1.2
69.03407	1.3
69.07077	6.9
70.06571	1.4
71.08630	1.9
76.99167	0.9
79.05489	11.6
80.05011	2.7
81.05775	1.4
81.07053	10.6
82.06586	7.0
83.08616	5.2
84.08152	1.2
85.02888	1.6
85.10179	1.2
91.05481	9.0
93.07040	11.3
94.06566	18.8
95.04981	1.1
95.07347	9.4
95.07907	1.2
95.08607	8.3
96.08115	4.2
97.02869	1.6
97.10155	2.2
104.26775	0.9
105.07026	8.1
107.08578	6.2
108.08109	3.7
109.10136	2.9
119.08563	5.7
121.10123	3.8
122.09657	2.5
124.99997	1.2
133.10146	3.6
135.11673	2.3
147.11690	2.2
149.13130	1.5
163.14876	1.5
184.07343	2.1
228.35269	1.0
229.24196	1.1
233.22614	3.6
245.22610	4.6
250.25285	8.3
262.25296	100.0
280.26294	5.5
282.28018	1.9
300.28952	5.6
532.50720	4.3
544.50970	31.3
546.52405	4.8
562.51959	13.8
588.47382	1.0
724.56311	3.3
742.46075	1.3
747.04376	1.1
753.07764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01883	1.2
55.05516	9.5
56.05038	4.4
57.03436	0.8
57.07077	5.1
60.04520	3.0
65.03937	1.6
67.05505	18.1
69.03429	1.6
69.06723	1.3
69.07070	11.5
69.24025	4.2
69.24440	2.7
69.54118	0.8
70.06574	2.1
71.08636	3.0
77.53902	0.7
79.05499	17.3
80.05013	2.2
80.33006	0.8
81.03414	1.1
81.05804	1.6
81.07059	17.4
82.06575	6.6
83.08611	7.4
85.02911	2.7
85.10198	1.6
86.09723	1.2
91.05478	13.8
93.07053	15.3
94.06568	19.1
95.04982	3.0
95.07355	8.4
95.07917	0.9
95.08035	1.1
95.08607	13.0
96.08131	5.5
96.08956	0.8
96.91057	0.8
97.02917	1.4
97.06557	1.8
97.10170	3.3
98.20661	0.9
98.98463	1.6
105.07030	11.2
107.04902	0.9
107.08600	7.6
108.08123	3.1
109.06496	1.1
109.10154	5.9
114.87005	0.8
117.07024	1.8
119.08595	6.8
121.10140	8.2
122.09669	3.3
123.08023	1.0
123.11705	2.4
125.00033	1.2
131.08534	1.1
133.10139	5.3
135.01143	0.8
135.11685	4.6
137.13208	1.2
147.11699	3.1
149.13263	1.5
159.11652	1.1
161.13295	0.9
171.11633	1.2
175.14827	1.0
184.07332	6.4
207.13881	1.8
233.22652	3.6
245.10478	0.9
245.22661	3.6
250.25308	6.6
262.25311	100.0
263.25635	3.4
280.26358	7.8
281.17517	4.7
282.28049	1.0
300.29001	4.9
308.29309	1.1
339.28864	4.3
342.30426	1.0
489.89209	0.9
532.51019	5.7
544.50952	30.6
545.42145	8.4
545.50342	1.5
546.52429	5.7
562.51965	14.2
588.47070	1.3
724.56927	3.7
742.46130	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61265	1.1
53.03939	3.4
54.01917	1.0
55.01870	7.0
55.05515	31.0
56.00888	1.1
57.03162	1.4
57.03440	19.4
57.07073	4.6
57.86880	1.0
59.04997	2.9
61.02925	6.6
65.03944	1.8
67.05509	67.6
67.74401	1.2
69.03434	2.0
69.07075	26.3
71.05002	5.5
71.08630	2.1
71.49346	1.2
73.02911	2.4
79.05495	34.5
81.03420	13.4
81.07062	70.8
82.07402	1.1
82.11947	1.1
83.01346	6.7
83.04984	12.0
83.08621	21.7
84.22918	0.9
85.02911	9.3
85.06527	2.4
86.09704	1.1
91.03957	2.6
91.04979	1.8
91.05488	23.7
93.07047	37.1
93.07645	2.2
95.04981	8.1
95.08613	50.3
97.02892	5.2
97.03453	1.0
97.06539	7.0
97.10160	7.5
97.62469	1.0
99.04464	2.2
99.08115	2.2
105.07032	20.4
107.04960	7.4
107.07885	1.6
107.08597	24.7
109.06514	7.2
109.10170	18.3
111.04434	1.9
111.08092	2.3
111.11692	2.7
117.07014	8.1
119.08592	13.3
121.06536	2.6
121.10147	13.8
123.08056	9.7
123.11728	7.6
125.05958	1.3
125.09607	1.3
129.06999	2.5
130.07822	1.4
131.08627	6.2
133.10138	8.5
135.08047	3.0
135.11699	15.1
137.09628	3.3
137.13272	1.4
139.11145	1.1
145.10129	13.3
147.08131	1.5
147.11740	6.5
149.09637	2.0
149.13269	3.0
151.11209	1.2
153.12769	2.7
161.13251	3.2
163.11189	21.5
165.12773	1.4
167.14240	1.3
173.09610	2.8
173.13246	1.3
174.94751	1.1
175.11159	2.1
175.14853	1.9
177.16325	1.0
180.70856	1.0
181.12231	3.7
184.07372	5.2
191.10632	2.9
193.12209	1.7
209.11713	6.3
211.13263	2.0
227.12776	6.9
245.22655	2.6
261.22137	3.6
263.23819	5.5
267.15991	2.3
276.10004	2.0
283.15414	97.9
284.15765	2.8
285.16974	17.0
297.28464	1.1
301.25415	1.4
335.25809	15.3
337.27383	100.0
338.27603	2.1
427.31729	1.1
435.32727	1.2
453.33545	2.1
527.37360	4.2
545.38409	88.5
546.00250	1.2
546.38702	3.5
659.44177	1.4
742.45026	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01854	2.9
55.05518	27.9
57.03439	22.0
57.07069	2.2
61.02921	5.0
63.56420	1.7
65.03941	4.8
67.05506	66.4
69.03430	5.4
69.07066	17.6
69.80715	6.6
69.81133	2.9
71.04971	4.7
73.02911	2.0
79.05499	55.1
81.02930	2.5
81.03420	57.5
81.07055	62.6
83.05000	14.6
83.08627	23.2
83.76136	2.0
85.02906	24.2
85.06530	2.9
91.05484	43.7
93.07049	54.4
95.04964	25.1
95.08614	45.3
97.02906	3.9
97.06528	5.6
97.10151	3.8
98.21480	1.9
105.04511	2.2
105.06392	2.8
105.07037	29.3
107.04964	5.2
107.08609	22.4
109.06502	6.6
109.10162	20.2
111.04441	3.1
111.08084	8.6
113.06004	3.8
115.05511	1.7
117.06970	6.0
119.08575	26.2
121.06548	2.3
121.10136	22.2
123.08083	3.2
123.11737	5.0
125.09640	3.1
129.07031	10.5
131.08563	16.3
133.06506	2.3
133.10124	15.8
135.11693	11.0
145.10123	8.1
147.07997	1.9
147.11674	18.3
149.09598	6.9
149.13268	4.9
155.08513	1.8
157.10150	12.0
159.11667	4.1
161.13246	4.9
171.11716	1.6
173.13246	3.4
175.11201	11.8
175.14769	2.4
181.54593	1.7
187.14833	2.1
193.12257	36.4
211.13287	51.6
211.15311	3.3
243.21049	3.0
261.22134	10.2
267.15894	12.8
285.16949	53.9
293.19287	1.9
317.24353	1.6
335.25809	88.0
336.26123	4.5
389.53839	1.5
527.37396	9.6
545.38361	100.0
546.38879	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83177	0.6
52.09139	0.6
53.03941	1.7
53.72337	0.6
55.01877	7.3
55.05514	19.1
57.03198	0.9
57.03442	11.1
57.07083	3.5
59.04981	1.9
61.02925	3.9
65.03927	1.4
67.05508	37.0
69.03410	2.0
69.06736	1.0
69.07075	14.2
69.23250	5.9
71.01338	0.8
71.04977	2.6
71.08615	1.2
73.02895	1.1
73.06587	0.6
79.05495	22.9
81.03419	7.8
81.07059	39.6
83.01347	4.7
83.04976	8.6
83.08624	14.9
85.02918	6.1
85.06538	0.9
86.09689	1.0
91.03950	1.4
91.05480	14.9
92.06300	0.7
93.07050	26.8
93.07649	1.5
95.04973	4.3
95.08612	26.2
96.82901	0.7
97.02870	3.8
97.06558	4.2
97.10157	4.4
99.04462	1.6
104.50140	0.6
105.07044	10.1
107.04954	6.4
107.08609	13.5
109.06506	4.8
109.10164	10.4
111.04483	1.4
111.08067	2.1
111.11760	1.3
111.47575	0.8
117.07034	5.1
119.08588	9.3
121.06495	2.9
121.10150	9.1
123.08071	7.5
123.11719	3.1
125.06017	1.4
125.09622	2.5
127.11087	0.8
129.07031	1.4
130.07805	1.4
131.08572	3.5
133.10138	5.5
135.08073	1.3
135.11671	9.5
137.09595	1.5
137.13229	2.0
143.08682	0.8
145.10139	10.5
146.09656	1.5
147.08031	1.0
147.11673	3.1
149.13249	1.2
151.11272	0.9
153.12766	2.2
155.08524	1.4
161.13292	2.8
163.11194	15.8
163.14844	1.1
173.09598	2.2
175.14795	1.3
181.12247	2.0
184.07433	3.2
187.14867	0.7
189.11252	0.8
191.10672	2.3
193.12219	0.8
209.11702	6.0
211.13266	1.0
227.12860	5.2
245.22653	2.1
261.22284	0.9
263.23669	3.8
267.16040	0.9
276.09933	2.7
283.15414	100.0
284.15802	2.1
285.17056	1.3
301.25113	0.9
335.25757	1.7
337.27380	68.1
338.27695	1.7
376.62091	0.7
453.33423	2.0
464.71021	0.7
479.63116	0.8
517.39130	0.8
527.37170	2.4
545.38391	45.1
546.38464	1.0
563.39355	0.9
742.44525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01856	3.2
55.05512	26.0
57.03439	21.4
60.75165	1.6
61.02908	5.6
61.39553	1.6
65.03925	2.1
67.05505	72.9
69.03426	5.6
69.07067	14.2
69.74953	10.8
71.04988	5.5
73.02879	2.3
73.83482	1.9
77.03919	1.9
79.05495	51.2
81.03417	66.2
81.06593	3.7
81.07056	59.0
83.04979	19.9
83.08154	2.5
83.08614	24.5
85.02908	30.3
85.06526	4.8
91.03913	2.5
91.05484	46.3
93.07044	48.4
95.04979	25.3
95.08608	42.7
97.02889	6.5
97.06530	5.2
97.10181	4.2
99.08123	2.6
105.04491	2.8
105.07034	35.4
107.04941	6.5
107.08595	21.2
109.06505	4.9
109.10161	14.4
111.04435	2.0
111.08074	12.8
113.05992	2.9
115.05466	2.5
117.06986	7.1
119.08566	22.9
121.10143	23.0
123.08092	6.1
123.11702	5.1
125.09601	2.8
129.07021	13.0
131.08577	19.9
131.26135	1.7
133.06462	1.8
133.10143	16.3
135.11674	10.3
137.13312	2.2
142.07764	3.7
145.10106	6.8
147.07977	3.3
147.11702	21.4
149.09622	6.1
149.13246	3.9
157.10126	12.1
159.11673	4.6
161.13264	4.4
163.14874	2.4
165.12758	2.3
171.11690	2.2
173.13206	4.4
175.11183	13.6
184.26804	1.8
187.14856	2.1
193.12253	58.4
211.13300	89.7
213.31804	2.2
217.75153	2.1
243.21043	4.1
261.22141	13.3
267.15958	14.8
285.16974	80.9
317.24637	3.4
335.25797	85.8
435.32678	3.0
453.33621	2.8
506.00009	1.7
527.37378	12.4
545.38373	100.0
546.38434	3.6
676.42462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00375	1.0
53.03945	5.1
53.59367	0.9
54.14434	1.1
55.01879	2.9
55.05272	1.5
55.05516	20.1
57.03444	12.2
57.07065	1.4
60.08165	1.6
61.02923	2.4
65.03944	3.8
67.05511	41.1
69.03425	4.4
69.06779	1.1
69.07079	11.2
70.11639	3.8
71.04991	3.6
73.02924	1.7
77.65253	0.9
79.05500	34.1
81.02930	1.9
81.03425	46.8
81.07062	47.5
83.04974	11.9
83.08627	22.8
85.02910	16.7
85.06546	2.5
86.09705	4.7
91.03954	1.4
91.05487	26.1
92.05804	1.1
93.07050	30.2
95.04974	22.3
95.08617	29.1
97.02885	3.6
97.06551	4.2
97.10172	3.8
99.08127	1.3
105.07038	21.9
107.04971	4.6
107.08598	15.4
109.06529	3.3
109.10167	10.2
111.04451	1.4
111.08081	7.5
113.06008	1.5
115.05492	1.4
117.06997	5.2
118.07358	1.0
119.08588	17.4
121.06496	1.3
121.10157	12.2
123.08076	2.2
123.11713	4.1
125.00009	4.0
126.66248	1.0
127.12290	1.0
129.07027	7.0
131.08574	9.8
133.06529	1.5
133.10146	11.1
134.91991	1.1
135.11707	7.4
137.09622	1.4
137.13290	1.7
145.10110	4.8
147.08003	1.3
147.11700	14.4
149.09634	2.9
149.13263	3.9
157.10135	11.0
159.11714	3.5
161.13245	2.3
163.11237	2.9
164.11438	1.2
165.12776	2.8
173.13286	1.1
175.11220	9.7
184.07358	20.3
186.91820	1.1
187.14854	1.0
193.12267	30.7
204.14423	1.0
207.93834	1.0
211.13292	49.9
227.12794	1.9
228.13051	1.0
243.21080	1.8
261.22263	5.1
267.15933	10.1
283.15530	2.2
284.15689	1.3
285.16977	44.0
314.26218	1.0
317.24866	1.5
335.25845	50.1
336.26062	3.1
419.64456	1.2
435.32565	1.9
471.34277	1.2
527.37189	7.7
545.38391	100.0
546.38843	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	742.466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.9
58.06359	0.2
58.06621	0.5
60.08166	6.2
67.05506	0.8
68.05849	0.2
69.07064	0.2
71.06989	0.3
71.07377	3.9
79.05491	0.7
81.03426	0.3
81.07052	1.0
83.04990	0.2
83.08590	0.2
86.09707	32.1
87.10048	0.2
91.05477	1.0
93.07049	0.9
95.08587	0.5
97.06510	0.2
98.20895	0.8
98.98466	3.4
104.10742	2.7
105.07026	0.6
107.08590	0.5
109.10175	0.3
111.08186	0.2
115.86229	0.2
119.08586	0.6
120.99697	0.2
125.00008	20.9
131.08626	0.4
133.10097	0.6
135.11668	0.3
163.11179	0.3
184.07343	100.0
185.07600	0.9
193.10074	0.1
219.05051	0.2
253.14278	0.3
269.67935	0.2
273.61142	0.2
319.11514	0.2
527.37366	0.3
545.34192	0.3
724.45465	7.4
725.45001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.2
55.05514	19.4
57.03446	12.3
58.10240	1.9
62.12502	1.7
63.52509	2.0
67.05512	26.4
68.10468	1.6
68.58750	1.6
69.03423	4.0
69.07062	6.3
71.04988	6.0
71.49971	2.7
79.05498	28.9
81.03424	58.3
81.07055	28.6
83.04977	5.6
83.08621	16.0
83.15777	1.7
85.02911	3.8
85.06594	1.7
86.09731	2.1
91.05489	24.0
92.45958	2.0
93.07047	23.7
95.04968	28.9
95.08605	13.9
97.02879	2.1
97.06529	6.0
97.10169	15.8
105.07032	16.4
107.04964	23.4
107.08607	15.1
109.06519	17.0
109.10148	6.7
111.04443	3.7
111.08074	5.5
112.35336	1.6
115.05466	2.7
117.07020	7.1
119.04929	1.8
119.08571	14.3
121.06527	11.9
121.10130	15.4
123.04422	3.1
123.08078	6.4
123.11707	2.5
125.06017	2.6
125.09647	13.9
129.07004	6.8
131.08563	14.4
133.06509	3.4
133.10132	7.1
135.08052	7.4
135.11758	2.6
137.05989	5.0
139.11148	3.2
143.08566	4.8
144.08064	3.6
145.06493	6.8
145.10143	7.2
147.04381	1.8
147.08014	4.9
147.11662	9.0
149.09647	6.6
153.09068	4.2
155.08504	3.0
157.10114	7.2
159.08073	2.1
159.11682	3.0
161.09601	2.5
163.11168	5.1
165.12724	2.5
169.10182	2.5
171.07957	2.3
171.11653	2.9
173.09642	2.1
173.13344	2.0
175.11194	7.7
184.07343	5.3
185.09653	3.0
189.09129	1.8
189.11229	6.4
191.14357	3.8
193.12248	19.4
199.07393	1.8
199.11322	2.7
205.12341	1.7
209.11754	2.7
211.13255	4.2
213.12723	2.4
219.13770	12.3
227.12753	3.8
233.15540	4.1
248.18729	2.0
259.15433	6.4
267.15930	49.3
268.16315	2.5
273.14850	6.0
275.16129	2.0
283.15485	3.0
285.16913	3.4
293.17426	4.1
349.21664	4.0
367.22693	16.0
385.23682	21.5
403.24789	9.7
441.26413	9.3
451.26941	4.1
459.27444	100.0
460.27646	4.5
477.28500	89.3
478.28732	3.4
491.30295	10.2
495.29449	8.3
546.58350	2.2
567.29639	2.3
623.84619	1.9
713.29413	1.7
752.70624	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.05510	0.7
56.05036	0.8
57.03439	0.4
58.06358	0.2
58.06612	0.5
60.08165	6.0
67.05508	1.9
69.03422	0.2
69.07062	0.5
71.04986	0.3
71.07377	3.5
71.11521	0.2
71.43275	0.3
79.05495	1.2
81.03416	2.2
81.07066	1.5
83.04997	0.6
83.08630	0.8
85.02911	0.3
86.09708	28.1
91.05483	1.9
93.07052	1.2
95.04980	1.4
95.08607	0.3
97.06528	0.5
98.98469	3.3
104.10739	2.1
105.07048	1.0
107.05031	0.3
107.08607	0.5
109.06538	0.3
109.10155	0.9
111.04485	0.5
111.08077	0.3
117.07063	0.3
119.08597	0.6
121.10165	0.5
123.08053	0.3
125.00012	17.5
125.09656	0.5
129.06973	0.5
131.08569	0.8
133.10143	0.8
135.08081	0.3
135.11661	0.4
145.10120	0.4
147.04390	0.6
147.08113	0.3
147.11700	0.4
149.09636	0.6
151.11188	0.3
157.10083	0.3
163.11189	0.4
167.07141	0.3
175.11098	0.3
176.20767	0.2
184.07349	100.0
185.07692	0.6
193.12326	0.5
199.13547	0.2
209.11751	0.7
211.13222	0.3
227.12805	0.2
229.14447	0.3
267.15854	1.4
283.15387	0.8
285.16998	0.6
301.16458	0.3
385.23804	0.5
385.60165	0.2
436.19070	0.3
459.27267	2.9
477.28546	1.7
494.27295	0.3
509.27481	0.4
642.34045	13.0
643.34186	0.6
750.21759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01865	6.1
55.05515	39.0
57.03425	3.3
57.07075	15.9
67.05504	33.5
69.07070	37.4
71.05018	2.3
71.08624	8.2
79.05495	19.4
81.03416	2.0
81.07062	29.6
82.46082	1.7
83.04978	1.6
83.08622	25.5
85.06521	2.1
85.10178	4.7
91.05489	30.2
93.07057	21.8
95.04953	2.8
95.08608	23.2
96.00811	1.8
97.06548	2.4
97.10159	21.4
98.54931	2.0
98.98478	15.5
99.08115	1.8
105.07034	37.3
107.08604	16.4
109.10171	7.4
111.11713	3.7
113.49109	1.8
117.07029	9.3
119.08596	30.9
119.42996	1.8
121.10152	8.8
123.08060	2.9
123.11681	4.2
129.06981	6.6
131.08582	18.5
133.10129	25.2
135.11691	8.9
143.08545	5.4
145.10117	17.1
147.11707	20.7
149.13261	5.2
155.01076	4.9
155.08688	2.1
157.10127	7.2
159.11697	12.5
161.13258	17.0
163.14827	4.1
163.79916	1.7
171.11713	10.4
173.13277	11.3
175.14821	4.6
179.14307	4.3
185.13297	7.2
187.14861	4.9
198.41397	1.7
199.14877	4.7
205.16374	2.0
213.16365	2.1
215.17975	3.7
217.19525	5.4
231.21056	4.0
237.22156	2.9
239.17889	3.9
241.19513	24.4
243.21201	3.3
249.22043	2.0
257.19000	5.1
259.20563	15.5
265.08365	1.9
277.21817	2.6
311.25812	52.1
313.21637	12.4
313.27316	10.4
315.23126	15.7
331.26260	9.1
333.24191	5.7
365.26941	2.8
387.28851	3.9
495.42252	2.4
569.45721	100.0
570.45911	9.3
587.46619	4.2
600.50641	2.4
643.53119	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	741.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65367	0.7
56.05034	1.2
58.72134	0.7
68.04994	0.8
71.49321	0.8
79.05518	0.6
91.05521	1.5
95.04977	0.6
108.08141	1.5
109.63482	0.7
111.22792	0.6
112.14996	0.7
117.06998	2.8
128.06328	0.6
130.06544	0.6
137.05986	1.1
143.07349	1.5
144.08089	100.0
145.08467	1.3
155.06049	1.4
156.08073	1.5
158.09709	2.4
163.03951	0.7
167.07101	2.0
170.09666	2.7
178.08685	4.2
181.05016	1.1
182.09680	1.2
187.26888	0.7
190.08656	1.2
199.12299	2.2
208.09731	1.3
210.11266	6.1
213.08923	0.7
215.14479	0.7
222.11197	6.2
251.15498	1.0
311.58035	0.7
321.16013	2.5
353.18610	97.1
354.18912	3.5
579.39618	0.9
693.84985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01870	7.7
55.05276	1.6
55.05517	20.8
57.03442	16.7
57.07080	2.0
59.05000	2.4
59.18579	1.2
60.08155	2.8
61.02913	5.0
63.18841	1.2
65.03944	2.3
67.05511	45.7
69.03400	2.4
69.07062	12.1
69.26917	12.2
70.96091	1.5
71.04987	5.0
71.07362	1.4
75.36256	1.2
78.34463	1.5
79.05075	2.5
79.05499	35.7
81.03427	10.6
81.07061	47.0
83.01360	8.7
83.04988	10.2
83.08623	14.1
85.02927	7.5
86.09719	13.4
87.10007	2.8
91.03953	2.9
91.05491	22.0
93.07051	47.0
95.04969	6.6
95.08621	32.2
97.02900	4.4
97.06529	3.9
97.10166	5.6
99.04480	1.9
101.45655	1.3
105.07042	17.9
107.04952	5.8
107.08609	22.4
109.06519	5.6
109.10175	12.1
111.08109	2.5
117.07049	10.3
119.08594	10.2
121.06506	2.9
121.10139	16.0
123.08079	6.9
123.11678	2.5
125.00026	9.6
125.05986	1.9
125.09641	3.6
129.06960	3.3
130.07805	1.3
131.08568	10.3
133.10132	9.9
135.11705	16.8
137.09618	2.7
143.08534	2.3
145.10147	18.0
147.08067	2.0
147.11667	4.5
149.09563	1.8
149.13242	4.9
153.12737	3.8
155.08569	1.8
159.11725	4.0
161.13310	2.4
163.11194	20.8
163.14851	2.1
173.09618	2.2
173.13257	3.2
181.12195	2.9
184.07359	44.3
184.08998	2.2
185.07692	12.0
186.07829	4.9
187.14883	2.1
191.10725	3.2
209.11681	7.4
227.12730	8.3
243.21065	4.1
261.22144	14.4
283.15421	100.0
299.23639	4.3
317.24719	4.6
335.25830	60.3
336.26025	2.3
371.95581	1.7
379.57907	1.5
451.31903	2.6
462.99414	1.5
469.33322	2.3
525.35828	3.8
543.36835	38.9
544.37482	2.4
657.03540	1.5
679.12396	1.7
690.45471	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	2.3
55.01871	3.2
55.05512	14.6
57.03438	8.8
57.07043	1.6
61.02888	1.7
65.03901	2.2
67.05506	39.6
69.03387	1.8
69.07064	11.8
69.53246	3.4
71.04948	2.1
73.02875	1.8
77.03899	0.6
79.05494	36.2
81.03415	4.0
81.07058	40.8
83.01308	1.1
83.04988	3.4
83.08618	9.3
85.02861	1.5
85.06527	1.1
86.09725	3.4
91.05485	14.6
93.07045	48.4
94.07360	0.7
95.04962	5.1
95.08608	49.7
97.02881	3.0
97.06526	3.8
97.10123	1.9
99.04401	2.1
99.08064	1.1
100.10330	0.6
103.05454	0.8
105.04498	1.0
105.06435	0.8
105.07037	11.7
107.04959	5.9
107.08597	30.1
109.06532	3.3
109.10160	11.2
111.04406	1.3
111.08041	1.0
113.05996	0.7
115.05453	0.8
117.07026	8.8
119.08582	12.2
121.06518	4.5
121.10143	16.8
123.08029	1.5
123.11689	2.8
125.00000	1.3
125.05956	1.6
125.09601	0.7
129.06982	0.6
130.07768	1.5
131.08563	5.0
133.10141	5.5
135.08023	2.2
135.11697	37.2
137.13239	0.8
139.07506	1.2
143.08499	0.8
144.06216	0.6
145.10124	22.0
147.11743	2.5
149.13277	3.5
153.12703	1.0
155.08536	0.8
159.11639	2.3
161.13232	2.4
163.11183	39.9
163.14806	1.4
164.11438	1.0
171.11737	0.7
173.09624	1.3
173.13249	2.0
175.14845	1.1
177.16275	0.8
181.12250	5.9
184.07352	9.4
187.14754	1.2
191.10533	0.6
199.99040	0.5
202.92334	0.5
205.38205	0.6
209.11656	2.1
227.12778	50.8
243.21021	3.0
261.22156	7.1
283.15396	54.4
284.15955	1.1
317.24792	2.4
333.35938	0.5
335.25806	100.0
336.26132	3.2
543.36816	75.4
544.37219	4.4
561.38721	0.7
599.48975	0.7
650.43683	0.7
686.51068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47055	1.3
53.03945	6.7
55.01884	7.3
55.05271	1.9
55.05516	24.8
57.03438	18.4
57.07076	2.7
59.04998	2.2
61.02930	7.1
65.03938	3.8
67.05511	58.8
69.03394	1.8
69.07070	15.0
69.26970	11.9
71.04993	5.2
73.02911	2.2
79.05498	52.9
81.03414	10.6
81.07060	60.1
83.01344	8.6
83.04990	12.6
83.08627	18.2
85.02913	8.8
85.06551	1.6
86.09714	3.1
91.03951	2.4
91.05487	30.3
93.07050	57.5
95.04971	10.1
95.08616	42.7
97.02901	7.6
97.06556	6.3
97.10165	4.8
97.30016	1.5
99.04435	1.9
104.10754	1.4
105.07044	21.1
105.07723	2.6
107.04957	7.3
107.08597	35.4
109.06549	11.2
109.10163	15.3
111.04483	2.2
111.08073	2.1
111.11707	1.6
117.07012	12.3
119.08589	17.0
121.06493	2.3
121.10152	27.7
123.08089	9.0
123.11695	6.5
124.99973	2.4
125.05992	1.7
125.09646	4.4
129.07022	2.3
131.08568	12.4
133.10107	11.0
135.08047	2.5
135.11688	22.5
136.87122	1.5
137.09576	1.7
137.13255	2.0
145.06418	1.4
145.10139	19.2
147.08066	2.3
147.11699	6.5
149.09697	1.5
149.13225	7.9
151.11217	1.5
153.12747	4.9
155.08553	3.1
159.11703	7.9
161.13268	5.0
163.11205	22.9
163.14804	4.3
171.11734	1.9
173.09665	2.6
173.13287	7.4
175.11252	1.4
181.12335	3.0
184.07346	12.8
185.07652	2.1
187.14870	2.5
191.10655	3.1
196.50742	1.4
200.16075	1.4
201.16356	1.9
209.11755	6.1
211.13324	1.3
227.12735	9.2
228.35217	1.5
243.18730	1.5
243.21089	4.6
261.22156	17.1
283.15411	88.3
284.15549	2.9
294.43329	1.4
299.23660	3.7
317.24860	4.1
333.24234	1.9
335.25818	100.0
336.26321	3.2
364.39218	1.6
404.60922	1.4
415.76224	1.4
433.31125	2.6
469.32919	2.1
525.35706	3.6
543.36877	69.0
544.37018	3.4
561.36957	2.2
690.44531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01875	1.7
55.05520	7.5
57.03444	4.9
59.04990	1.0
61.02917	0.8
65.03936	1.1
67.05511	23.0
69.03424	2.5
69.07073	5.4
69.39294	2.5
69.39723	3.9
71.05000	13.1
77.66447	0.8
78.76037	0.8
79.05066	1.5
79.05498	15.4
80.05783	0.9
81.03426	19.9
81.07063	28.7
83.04975	3.4
83.08619	5.4
85.02896	3.0
85.06544	3.5
91.05488	14.9
93.07055	12.3
95.04987	13.1
95.08621	6.3
97.02896	1.0
97.06524	3.6
97.10183	2.8
98.21563	1.6
99.04408	0.8
105.03358	1.0
105.07040	8.9
107.04296	1.1
107.04966	8.6
107.08596	8.1
109.06527	7.1
109.10184	5.1
111.04391	0.9
111.08067	3.0
117.07043	3.7
119.08595	6.9
121.06526	9.4
121.10148	4.8
123.08086	1.7
123.11699	4.3
125.09657	3.2
129.05522	1.0
129.07054	4.3
131.04930	1.1
131.07706	1.2
131.08598	6.9
133.06500	2.3
133.10129	8.3
135.08083	2.6
135.11693	2.7
137.02335	2.9
137.09564	1.3
143.08612	1.5
145.06483	3.0
145.10135	3.2
147.08089	1.8
147.11667	3.4
149.09636	2.5
149.13289	1.7
151.11192	3.1
157.10136	4.3
159.08113	0.8
159.11726	2.9
163.03981	0.9
163.11185	3.6
165.12628	0.8
171.11685	1.5
173.13258	1.4
175.11179	2.8
175.50026	0.8
177.12756	1.8
183.11781	1.4
183.13826	0.9
184.07416	1.4
185.09676	0.7
187.13298	1.0
189.11279	1.2
191.14330	2.1
193.12277	3.1
205.12289	0.9
217.15909	1.1
219.13806	3.3
223.13252	1.7
231.14200	1.0
243.16139	0.9
247.00072	0.8
249.14781	1.8
267.15887	7.2
269.17563	1.2
275.16516	1.5
275.19977	1.0
276.67966	0.8
293.17746	0.8
301.19968	4.3
303.04935	1.7
315.04984	4.9
325.21677	1.4
327.04764	0.9
339.04929	1.7
341.02762	1.0
341.06467	1.4
343.22778	4.0
353.06555	1.0
362.61008	0.8
369.24045	2.4
371.25775	1.0
383.11835	1.2
387.25345	1.1
395.11380	2.2
417.26538	3.9
425.26791	2.6
435.27481	13.5
443.27902	9.6
461.29025	100.0
462.29218	5.0
493.31357	5.2
521.17920	1.0
555.29517	0.9
577.24713	6.1
595.25073	2.2
643.24799	0.9
669.26196	1.6
687.28223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01884	13.7
55.05516	26.4
57.03444	22.7
59.05003	2.4
61.02913	1.5
65.03926	3.5
67.05144	2.0
67.05510	40.5
67.22440	1.1
69.03439	7.1
69.07067	9.7
71.01340	1.9
71.05000	3.7
71.21922	2.0
73.02912	2.5
77.03944	1.5
79.05502	30.8
81.03424	100.0
81.07059	25.3
82.04208	4.3
83.04992	20.9
83.08626	26.1
85.02902	4.3
85.06572	2.2
91.05489	35.6
93.07049	22.9
93.07631	1.4
95.04976	32.1
95.08614	11.2
97.02901	6.0
97.06543	9.1
97.10166	16.0
98.07328	5.2
99.08098	2.7
103.05481	1.5
105.07036	21.2
107.04965	16.1
107.08597	16.6
109.06530	5.0
109.10162	13.2
111.04443	7.8
111.08067	9.4
113.05933	1.5
116.04742	9.9
117.05502	3.6
117.07024	5.1
119.04991	3.0
119.08590	17.6
121.02858	4.8
121.06522	5.4
121.10155	12.4
123.08095	5.3
125.09654	16.1
129.05502	21.7
129.06990	10.7
130.07838	2.2
131.08582	12.3
133.06485	6.1
133.10139	9.0
135.04442	3.1
135.08063	4.2
135.11664	8.9
137.06033	1.6
137.09654	4.4
142.07771	1.8
143.07047	5.7
145.06522	2.0
145.10114	6.9
147.04417	9.0
147.08060	5.8
147.11691	10.5
149.09641	6.5
151.11157	1.5
153.09149	2.1
153.12755	17.4
155.08574	2.6
157.08609	10.6
157.10144	12.6
161.09665	1.4
163.11198	16.0
164.11975	1.8
165.12819	3.4
171.10191	6.5
173.09668	1.7
173.11722	3.2
173.13197	1.6
175.11217	14.3
181.12259	13.0
189.11244	11.0
189.12778	1.6
191.10686	8.2
193.12250	26.0
193.13921	2.2
199.13278	4.0
201.12843	2.8
201.14796	2.5
209.11638	6.3
210.12523	1.5
211.11481	2.1
211.13248	9.4
212.13498	1.3
219.13821	4.2
221.69243	1.3
227.12766	32.2
229.12331	2.7
229.14346	12.2
231.13884	1.6
243.37215	1.4
247.13316	25.4
249.14912	3.1
255.15880	2.7
259.13306	1.6
265.14288	1.8
267.15945	67.3
268.16278	2.8
283.15411	15.1
285.17065	1.9
301.16489	33.9
321.16949	7.9
347.20126	1.4
355.22946	1.6
383.22147	4.3
401.23056	2.3
457.26016	2.5
458.26608	1.8
459.27414	2.2
475.27084	11.4
476.27621	3.5
493.28030	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
55.01880	13.7
55.05515	42.1
57.03441	33.8
59.05012	26.7
61.02929	4.2
65.03944	5.0
67.05511	98.8
69.03437	11.2
69.07069	12.5
69.80263	12.2
71.04996	12.3
73.02921	3.5
79.05496	43.1
81.03426	100.0
81.07064	50.4
82.04195	2.3
83.04985	25.4
83.08630	38.4
85.02901	19.1
85.06558	6.3
87.04475	42.7
91.05490	49.6
93.07050	34.9
95.04974	42.3
95.08597	20.4
97.02889	11.2
97.06542	10.6
97.10180	16.5
99.04478	10.3
103.03942	2.9
105.07045	31.4
107.04968	19.8
107.08617	19.3
109.06510	9.2
109.10165	66.9
111.04443	10.4
111.08070	12.5
115.05399	2.8
116.04752	10.8
117.07020	6.7
119.08587	36.6
121.06523	6.5
121.10165	11.5
123.04409	3.0
123.08092	6.0
125.09640	18.4
129.05508	16.6
129.07005	17.9
131.08585	14.7
133.06453	3.5
133.10135	16.2
135.11688	8.8
137.09616	6.5
142.07823	3.8
142.55527	2.6
143.07024	3.8
145.10126	9.9
147.08054	5.9
147.11707	18.4
149.09631	8.5
153.12781	10.5
155.10687	9.0
157.08635	7.4
157.10146	20.0
163.11224	11.2
165.12761	3.5
171.10147	4.8
173.09671	4.1
173.11771	21.1
175.11205	20.7
181.12302	10.8
189.11269	6.9
191.10759	6.0
193.12262	64.5
199.13284	6.7
209.11739	7.0
211.13306	73.6
219.13820	3.7
227.12814	21.5
229.12119	4.4
229.14369	66.5
234.94440	2.4
247.13249	15.2
249.14888	3.6
255.16075	2.6
267.15948	67.0
283.15375	14.2
285.16962	41.1
301.16516	25.3
315.17987	4.5
401.23087	2.9
409.26190	3.1
421.25861	18.5
427.26718	2.8
439.26932	69.8
440.27213	3.9
475.26999	15.6
476.27655	4.1
493.27908	20.1
525.30316	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	740.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01862	6.7
55.05273	3.2
55.05512	47.9
55.26830	2.9
57.03439	28.1
59.04755	2.7
59.05005	30.8
61.02910	5.5
65.03954	3.1
66.12420	2.6
67.05509	100.0
69.03413	8.8
69.07069	14.6
69.07365	2.6
71.04993	15.3
79.05502	51.8
81.03426	68.0
81.07058	49.7
83.04987	22.8
83.08620	35.7
85.02911	26.9
85.06545	4.5
87.04474	42.2
91.05487	50.5
93.07050	28.8
95.04967	32.8
95.08627	18.4
97.02876	9.1
97.06543	6.0
97.10180	21.9
98.20788	4.9
99.04459	19.0
105.07043	31.6
107.04964	14.1
107.08595	19.1
109.06511	8.8
109.10159	64.5
111.04438	3.5
111.08075	15.6
117.06984	4.4
119.08582	22.1
121.06547	2.5
121.10135	7.8
123.08018	2.6
125.09620	14.8
129.07036	14.8
131.08539	15.9
133.06499	3.8
133.10173	12.7
135.11726	2.6
135.93561	2.1
137.09612	5.0
145.10118	7.4
147.08026	5.9
147.11676	14.5
149.09637	7.6
155.10674	7.6
157.10135	15.6
163.11197	7.4
165.12755	5.8
173.11771	16.5
175.11191	20.2
191.10733	3.7
193.12254	58.1
194.12547	3.6
199.13271	10.7
209.11703	5.8
211.11348	5.2
211.13306	87.0
215.83342	2.4
227.12698	5.4
229.14366	69.9
241.14276	4.7
260.17175	2.2
267.15900	36.0
283.15402	6.4
285.16971	60.6
313.16263	3.2
315.17923	6.2
350.22540	2.6
409.25690	4.6
421.26053	18.7
427.26743	8.9
439.26956	83.2
439.33014	4.1
440.27191	2.9
456.94193	2.5
475.27200	12.6
525.30359	4.3
543.31439	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01879	28.9
55.05519	41.3
57.03437	20.0
57.07071	5.4
60.34325	2.8
61.02906	11.7
65.03938	7.6
65.26704	3.5
67.05508	95.1
69.03434	16.8
69.07056	23.4
71.04984	10.5
73.02911	9.5
78.54185	2.9
79.05495	84.2
81.03420	77.4
81.07061	100.0
81.07533	6.2
83.04994	25.7
83.08627	34.1
85.02913	35.5
85.43826	3.6
88.06161	3.6
91.03932	6.1
91.05489	88.3
93.07045	62.8
94.07345	3.5
95.04973	47.0
95.08598	36.1
97.02888	21.2
97.06527	28.4
97.10173	16.7
98.21535	7.3
99.04452	6.5
103.05470	4.7
105.07030	74.2
105.92083	3.3
107.04959	22.0
107.08597	50.0
109.02868	8.2
109.06522	17.4
109.10175	26.3
111.04449	8.9
111.08101	19.6
115.05444	5.9
117.07025	22.3
119.08588	60.2
121.06512	11.1
121.10139	29.2
123.04399	4.2
123.08059	10.0
123.11706	7.4
125.09624	16.6
128.21521	3.6
129.07039	23.2
131.08571	39.2
133.06512	5.5
133.10156	46.7
135.08018	8.2
135.11668	12.4
137.09583	5.3
143.08572	9.4
145.06490	5.5
145.10126	28.7
147.08069	6.0
147.11679	34.7
149.09596	26.7
149.13300	8.0
151.11255	4.3
153.09055	4.6
157.10129	17.9
159.11722	17.5
161.09575	4.1
161.13307	4.9
163.11200	13.5
165.12807	5.3
169.10139	6.1
171.10246	4.1
171.11624	7.5
173.04387	7.4
173.09598	3.9
173.13229	7.3
175.11218	18.5
179.10678	3.6
183.11725	5.9
184.07417	3.4
187.11333	4.7
189.11241	4.7
193.12234	43.9
195.13672	3.6
197.13210	6.2
211.13272	51.2
227.12704	20.0
229.14284	5.9
239.17886	5.4
245.13914	3.9
257.19025	7.8
267.15945	38.8
269.17480	7.9
275.20081	71.2
283.15436	4.6
285.16995	53.9
293.21140	6.8
349.23792	49.7
367.24887	3.8
369.55887	4.2
455.26373	4.0
461.28656	4.8
463.30765	4.5
464.68182	3.4
479.30167	9.7
541.35309	24.8
559.36292	37.3
577.37378	23.6
623.34851	5.8
721.41040	4.1
739.40857	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01879	28.9
55.05519	41.3
57.03437	20.0
57.07071	5.4
60.34325	2.8
61.02906	11.7
65.03938	7.6
65.26704	3.5
67.05508	95.1
69.03434	16.8
69.07056	23.4
71.04984	10.5
73.02911	9.5
78.54185	2.9
79.05495	84.2
81.03420	77.4
81.07061	100.0
81.07533	6.2
83.04994	25.7
83.08627	34.1
85.02913	35.5
85.43826	3.6
88.06161	3.6
91.03932	6.1
91.05489	88.3
93.07045	62.8
94.07345	3.5
95.04973	47.0
95.08598	36.1
97.02888	21.2
97.06527	28.4
97.10173	16.7
98.21535	7.3
99.04452	6.5
103.05470	4.7
105.07030	74.2
105.92083	3.3
107.04959	22.0
107.08597	50.0
109.02868	8.2
109.06522	17.4
109.10175	26.3
111.04449	8.9
111.08101	19.6
115.05444	5.9
117.07025	22.3
119.08588	60.2
121.06512	11.1
121.10139	29.2
123.04399	4.2
123.08059	10.0
123.11706	7.4
125.09624	16.6
128.21521	3.6
129.07039	23.2
131.08571	39.2
133.06512	5.5
133.10156	46.7
135.08018	8.2
135.11668	12.4
137.09583	5.3
143.08572	9.4
145.06490	5.5
145.10126	28.7
147.08069	6.0
147.11679	34.7
149.09596	26.7
149.13300	8.0
151.11255	4.3
153.09055	4.6
157.10129	17.9
159.11722	17.5
161.09575	4.1
161.13307	4.9
163.11200	13.5
165.12807	5.3
169.10139	6.1
171.10246	4.1
171.11624	7.5
173.04387	7.4
173.09598	3.9
173.13229	7.3
175.11218	18.5
179.10678	3.6
183.11725	5.9
184.07417	3.4
187.11333	4.7
189.11241	4.7
193.12234	43.9
195.13672	3.6
197.13210	6.2
211.13272	51.2
227.12704	20.0
229.14284	5.9
239.17886	5.4
245.13914	3.9
257.19025	7.8
267.15945	38.8
269.17480	7.9
275.20081	71.2
283.15436	4.6
285.16995	53.9
293.21140	6.8
349.23792	49.7
367.24887	3.8
369.55887	4.2
455.26373	4.0
461.28656	4.8
463.30765	4.5
464.68182	3.4
479.30167	9.7
541.35309	24.8
559.36292	37.3
577.37378	23.6
623.34851	5.8
721.41040	4.1
739.40857	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	738.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
53.52388	0.6
55.05271	1.0
55.05516	12.8
57.03429	1.9
57.07067	2.6
65.03927	2.1
67.05508	52.5
69.07073	15.1
71.04987	1.2
71.22776	1.1
77.03925	0.8
79.05493	26.8
80.97101	0.6
81.03408	0.7
81.07059	45.8
83.04976	0.8
83.08627	5.6
85.05281	0.9
86.06053	0.8
91.04980	1.3
91.05488	13.8
93.07050	26.7
95.04971	2.5
95.08612	32.4
97.06551	2.1
97.10169	2.6
98.06063	9.0
105.04540	1.1
105.07042	8.6
107.08599	10.8
109.06546	0.6
109.10162	11.3
112.07626	1.5
117.07034	1.8
119.08573	6.0
119.90558	0.6
121.10153	10.2
123.11696	4.1
127.90724	0.7
131.08571	2.9
132.01587	0.7
133.10136	6.1
135.11685	4.4
137.13255	0.9
145.10138	1.3
147.11711	2.7
149.13297	2.4
151.14835	0.7
154.12361	1.0
159.11707	1.7
161.13300	1.9
163.14854	1.3
173.13336	1.3
175.14880	1.1
208.17120	0.7
217.89893	0.7
261.22263	1.2
263.23871	2.0
304.26358	35.6
305.26758	1.1
306.27921	40.5
317.24872	1.7
319.26346	0.9
335.25848	11.7
337.27356	13.7
337.31143	1.0
488.04681	0.7
526.69073	0.6
597.48822	100.0
598.49292	3.8
681.75916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75037	0.2
56.05023	0.8
58.06630	0.4
60.08165	5.8
65.97878	0.2
67.05485	0.2
69.42146	0.2
70.00014	0.6
70.00382	0.3
71.07378	3.1
71.08653	0.2
71.50182	0.1
82.93185	0.2
86.09709	29.7
98.98467	3.5
104.10740	2.2
125.00009	18.5
184.07347	100.0
185.07686	0.8
256.97018	0.2
334.49829	0.1
472.17847	0.2
688.45416	6.1
689.45154	0.5
741.76672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63549	1.4
53.03942	2.2
54.39030	1.3
55.01874	9.0
55.05516	28.1
57.03442	21.9
59.04721	2.0
59.05006	32.0
61.02909	5.0
65.03934	2.7
67.05508	74.0
69.03416	5.5
69.07079	7.9
70.73845	3.0
70.74188	1.7
71.01365	2.8
71.04992	8.1
73.02879	2.1
79.05499	28.7
81.03416	16.7
81.07059	28.4
83.01347	7.3
83.04987	13.4
83.08623	19.0
85.02899	10.1
85.06524	2.5
87.04471	50.8
89.15448	1.2
91.03923	1.5
91.05486	20.2
93.06483	2.6
93.07048	29.5
95.04977	9.8
95.08614	18.4
95.09197	2.4
97.02905	7.6
97.06526	4.5
97.10175	9.8
99.04458	14.4
105.04538	1.5
105.07034	11.2
107.04945	9.4
107.08600	16.2
109.06526	6.4
109.10160	58.4
111.04424	4.8
111.08063	4.0
113.06001	1.7
117.07015	8.5
119.08591	14.2
121.06484	4.3
121.10164	10.1
123.08031	6.3
125.06006	2.0
125.09639	9.0
127.03932	2.7
129.06984	2.2
131.08582	3.6
133.10106	2.4
135.11694	15.3
137.09637	3.8
143.08575	1.5
145.06529	2.0
145.10123	18.6
147.08052	3.3
147.11678	1.4
149.09555	1.7
153.12704	5.3
155.08586	2.5
155.10712	7.4
157.10135	1.8
163.11177	32.4
163.12543	1.7
173.09602	4.5
173.11757	17.8
181.12245	6.5
185.66075	1.5
189.11337	1.7
191.10716	3.8
193.12206	3.6
199.13231	7.5
209.11713	12.4
211.13420	1.5
223.13251	2.6
227.12770	25.8
229.14359	60.9
230.14771	3.0
241.14412	2.6
246.57384	1.3
257.13760	2.2
267.15866	7.0
283.15408	75.2
284.15829	1.8
311.14844	4.2
315.17999	5.3
331.07019	1.6
381.03207	1.3
407.24237	2.4
425.25491	9.5
429.20941	1.5
437.25385	100.0
438.25742	5.0
459.27322	3.3
465.24506	1.7
491.26266	2.3
518.71686	1.5
523.29187	1.7
624.54681	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01875	9.7
55.05512	31.5
57.03441	19.2
57.07067	1.7
59.04710	1.7
59.05002	33.1
61.02920	3.0
65.03935	1.8
67.05506	64.5
69.03436	5.5
69.07067	6.0
69.54715	1.8
69.55116	4.9
71.01348	3.2
71.04995	9.7
72.77810	0.8
73.02898	1.6
79.05494	27.1
81.03425	16.1
81.07057	25.6
83.01346	6.2
83.04980	11.4
83.08617	16.7
85.02913	9.7
85.06543	2.5
87.04472	50.4
91.03926	1.2
91.04912	0.9
91.05489	17.7
91.07040	0.8
92.05771	1.1
93.07051	22.5
95.04969	9.3
95.08617	10.5
97.02909	5.0
97.06493	4.5
97.10176	9.6
99.04461	13.1
105.07040	11.3
107.04958	9.3
107.08594	14.9
109.02881	1.0
109.06536	6.3
109.10156	49.7
111.04467	3.6
111.08098	4.6
113.06049	0.9
115.03927	1.2
115.05463	1.1
117.07005	6.8
119.08578	13.9
121.06515	3.8
121.10149	7.2
123.04401	1.0
123.08094	7.5
125.05965	1.5
125.09647	8.2
127.03954	1.0
129.05496	1.2
129.06998	2.5
130.07796	1.7
131.08575	4.6
133.10155	2.1
135.08063	2.1
135.11702	10.0
136.22630	0.8
137.09602	4.2
143.10651	1.4
145.06479	1.6
145.10133	13.3
147.08047	2.8
147.11670	1.3
149.09601	1.8
153.12735	4.3
155.08643	2.0
155.10643	6.0
157.10112	1.2
163.11177	23.2
173.09641	3.5
173.11749	16.5
175.11256	1.0
181.12241	3.4
189.11250	1.0
191.10718	4.4
193.12294	2.5
199.13287	7.5
209.11749	9.7
211.13354	1.6
223.13391	1.4
227.12773	9.6
229.14368	55.7
230.14763	0.9
241.14325	2.5
257.13867	2.8
267.15970	6.5
283.15402	72.5
284.15759	1.7
285.16992	1.1
311.15076	4.0
315.18027	5.1
385.23404	1.0
400.34464	0.9
407.24402	2.4
425.25317	10.1
426.25500	1.1
437.25363	100.0
438.25708	3.5
459.27286	5.1
477.28485	3.6
491.26172	1.0
521.51270	0.9
541.29852	1.4
558.34998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.0
53.03945	6.8
55.01873	6.5
55.05513	22.0
57.03443	17.8
59.03353	1.8
59.05011	2.7
67.05511	26.8
69.03434	7.0
69.07069	6.5
69.18228	17.0
71.04978	4.4
73.01668	1.4
79.05498	27.4
81.03423	82.3
81.07068	32.3
83.04988	10.0
83.08632	27.5
85.02906	7.4
85.06580	3.0
87.04465	2.7
91.05485	37.6
93.07056	29.2
95.04976	33.8
95.08623	11.5
97.02909	8.5
97.06532	8.7
97.10177	7.2
99.00823	15.4
103.05464	2.5
105.07037	29.9
107.04972	13.9
107.08598	17.0
109.02886	11.9
109.06529	7.4
109.10165	6.5
111.04462	5.9
111.08093	12.0
115.05455	2.8
117.07014	8.6
119.08597	22.0
121.06496	8.8
121.10157	11.0
123.04474	3.8
123.08069	4.0
123.11687	3.1
125.09657	6.0
127.03971	2.6
129.07024	10.1
131.08569	11.7
133.06485	4.4
133.10149	35.7
135.08035	2.8
135.11713	5.5
137.06021	2.2
137.09653	2.7
139.07509	2.8
142.07788	2.6
143.08592	5.9
145.06485	3.1
145.10172	8.0
147.08044	3.3
147.11745	8.9
149.09639	5.3
151.11153	9.8
157.10162	9.5
161.09619	15.0
163.11205	7.0
165.09131	1.9
171.08066	3.8
173.09593	2.0
175.11217	10.0
179.10686	7.1
189.09126	8.5
189.11252	3.6
193.12256	24.6
197.11720	2.4
207.10245	2.3
209.11771	7.5
211.13304	9.3
219.13828	7.1
225.11244	8.9
227.12817	5.0
249.14793	3.1
267.15939	100.0
268.16153	2.6
281.13757	2.9
283.15305	10.6
284.72183	1.9
285.17056	6.0
299.14893	71.1
301.16522	5.5
367.22632	2.8
381.20837	3.7
385.23904	2.9
437.25119	2.7
445.25949	9.8
459.27539	17.9
463.26843	4.4
473.25446	22.5
474.25662	2.4
477.28467	12.6
491.26413	87.3
492.26782	4.5
509.27133	8.2
533.27307	2.8
673.29517	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.5
55.01875	8.2
55.05520	38.9
57.03441	11.9
57.07081	3.4
57.70224	1.9
58.26661	2.0
61.02660	2.3
61.02938	26.0
65.03945	4.6
65.66791	2.2
67.05511	70.4
69.03437	14.7
69.07079	24.3
71.05012	12.7
71.21671	3.8
73.02917	13.7
75.74506	2.9
79.05074	4.0
79.05502	57.5
81.03442	19.3
81.07066	66.0
83.04987	9.7
83.08634	20.7
83.83289	2.6
85.02926	20.5
85.06533	7.1
91.03979	14.9
91.05492	51.1
93.06486	3.7
93.07056	53.0
95.04980	11.0
95.08619	39.3
97.02897	19.5
97.06541	9.1
97.10185	20.8
99.04507	3.5
99.08138	4.1
101.02374	3.8
103.05463	3.5
105.04552	3.2
105.07043	44.2
106.52088	2.4
107.04984	5.6
107.08611	30.1
109.02876	3.0
109.06526	8.4
109.10165	24.2
111.08096	3.7
115.03910	3.2
115.05450	5.4
117.07024	24.7
119.08596	35.5
121.06537	9.0
121.10179	21.2
123.08062	8.8
123.11716	5.5
125.09658	18.3
127.03918	4.8
128.05305	2.5
128.06247	9.0
129.07016	24.1
130.07816	2.8
131.08591	40.4
133.06517	6.0
133.10149	27.6
135.08054	9.1
135.11707	8.5
141.07016	8.6
142.07780	5.1
143.08597	25.1
145.10143	32.5
147.08040	7.4
147.11723	13.2
149.09634	6.5
149.13322	3.3
151.11197	5.5
154.07767	3.1
155.08591	18.2
156.09325	4.5
157.10144	27.0
159.08078	3.1
159.11703	25.6
161.09633	7.8
161.13274	7.8
163.11200	6.8
167.08582	9.8
169.10147	21.7
171.11682	19.4
173.09628	6.3
173.13287	16.0
175.11224	8.3
179.08562	3.6
181.10062	13.6
182.10904	2.8
183.11755	16.8
185.09726	2.8
185.13309	16.0
187.11371	5.0
187.14862	5.6
189.11201	6.7
189.12752	2.9
193.10175	5.8
193.12190	5.2
195.11694	9.5
195.13338	2.5
197.13283	10.8
199.14813	9.3
201.12624	3.7
203.14238	2.5
207.11734	5.4
209.13293	9.1
211.13237	4.9
211.15050	4.5
213.12871	2.8
213.16528	5.0
217.15860	2.7
219.11746	2.9
221.13272	7.0
223.14853	6.8
227.12781	15.3
229.14287	3.8
235.14966	2.9
239.18135	3.2
247.17079	2.9
267.15991	4.3
273.18481	7.6
275.20068	3.3
283.20737	4.1
285.22244	6.3
291.19601	9.8
297.18710	2.9
297.22086	5.1
299.20395	4.0
299.23727	11.7
321.22052	3.7
325.21518	4.6
339.23297	3.1
351.23337	2.8
361.24243	2.6
365.23926	3.0
415.29935	7.1
421.25943	4.8
433.31088	22.6
443.28049	6.6
451.31976	17.3
461.28802	4.5
469.33087	10.4
483.34970	2.9
489.33783	3.1
490.42041	2.5
499.34146	4.8
507.34753	13.8
517.35236	24.5
525.35815	90.9
526.36005	4.5
539.37207	2.8
543.36890	100.0
544.37268	2.9
557.38849	22.5
575.39600	35.8
679.40771	3.0
687.41150	5.2
698.21405	3.1
705.41394	2.9
719.40302	3.8
737.43738	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	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.2
55.01882	17.5
55.05515	30.0
57.03436	25.3
59.04998	4.0
61.02919	5.4
65.03933	4.4
67.05508	78.1
69.03439	26.0
69.07077	27.1
71.04997	17.5
71.48929	3.9
73.02921	3.6
73.59772	2.5
79.05498	70.2
80.05816	3.3
81.03423	100.0
81.06592	4.9
81.07059	73.5
82.03764	4.1
83.01309	3.0
83.04981	28.8
83.08629	30.6
85.02905	26.7
85.06546	8.0
86.54764	2.8
87.04465	7.3
91.05487	72.1
93.07051	58.8
95.04974	50.5
95.08616	32.9
96.08977	2.5
97.02901	24.8
97.06545	26.3
97.10178	11.9
99.04445	9.0
99.08089	25.1
101.02360	2.7
105.07042	47.6
107.04969	25.6
107.08591	35.1
108.08940	2.3
109.02876	15.6
109.06525	32.0
109.10160	19.9
111.04428	14.5
111.08087	15.4
113.06001	8.0
115.05457	5.4
115.07569	6.1
117.07008	20.5
119.04979	2.5
119.08598	40.8
120.08846	3.4
121.06516	15.0
121.10166	21.8
123.04423	5.3
123.08067	11.4
125.09634	10.6
127.03909	14.3
127.07550	10.2
128.06230	4.1
129.05476	3.7
129.06987	15.9
131.04948	3.9
131.08565	32.3
133.06491	7.9
133.10138	27.6
135.08072	19.5
135.11670	16.1
137.05997	3.2
137.09615	8.6
139.07518	3.4
141.06966	5.0
142.07803	5.2
143.08549	11.3
145.06458	6.1
145.10107	21.4
146.10674	3.0
147.08060	14.8
147.11687	23.6
149.09644	17.4
149.13277	4.7
151.11145	3.9
153.12769	8.7
155.08566	6.2
157.10139	14.7
159.08061	8.3
159.11688	10.7
161.09619	8.0
161.13327	3.6
163.11131	16.9
165.01897	2.4
165.09209	2.5
165.12718	4.5
167.08476	3.5
169.10141	5.6
171.11703	9.5
173.04483	6.1
173.09621	8.2
173.13310	5.9
175.11174	14.3
177.12814	3.6
181.10042	3.1
181.12236	9.4
183.11743	6.2
184.20184	2.7
185.13356	3.7
187.11127	3.0
189.08990	3.0
189.12790	4.0
191.10654	7.3
193.12221	37.6
195.11650	3.1
199.11272	3.6
199.14847	3.6
201.12718	3.6
203.10583	3.1
209.11609	3.7
211.13271	36.2
215.14366	3.6
217.15849	11.5
219.13699	4.9
227.12718	16.9
229.14365	9.8
245.19046	3.6
247.13365	2.7
255.17488	4.0
265.14282	3.0
267.15936	22.8
268.16284	4.4
273.18460	28.1
275.20026	16.1
283.15387	25.2
285.17059	17.7
286.17294	3.3
291.19534	42.6
315.19415	3.5
347.22153	9.1
349.23578	6.8
365.23218	14.9
367.24951	3.7
384.44693	2.9
411.20139	2.6
427.20068	3.5
429.21259	9.6
437.25510	9.6
447.28751	2.8
461.28839	2.4
465.30240	5.3
476.27203	3.4
483.31158	3.7
491.26007	2.9
494.27893	5.2
517.31671	2.6
539.33423	7.3
557.34821	36.1
575.27325	3.8
575.35840	34.3
593.36572	3.7
638.32178	6.9
701.38275	6.7
719.40051	14.2
737.41284	17.7
737.66119	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	19.0
53.04163	3.8
55.01876	30.2
55.05518	53.6
57.03435	24.3
61.02911	9.6
65.03938	4.0
67.05510	96.8
69.03429	33.6
69.06733	3.3
69.07069	35.6
70.77688	8.7
71.01339	4.6
71.04986	11.0
73.02906	8.1
74.16726	2.8
74.32798	3.5
76.80234	3.0
77.03900	5.1
79.05499	86.1
81.03428	88.9
81.06599	5.1
81.07063	100.0
83.04989	36.8
83.08630	35.3
83.35249	3.3
85.02913	18.9
85.06551	4.9
87.04371	2.9
88.03809	3.1
90.23318	2.9
91.03966	6.4
91.05491	93.4
93.07050	76.4
93.61725	3.3
95.04984	36.9
95.08617	45.2
97.02895	24.5
97.06548	22.4
97.10194	24.1
99.04450	9.7
99.08085	3.9
105.06399	5.5
105.07041	65.4
107.04956	31.8
107.08605	58.6
108.78815	2.9
109.02866	12.9
109.06522	19.2
109.10149	28.7
111.04449	9.7
111.08056	13.9
115.05370	6.2
117.07018	32.5
119.04926	3.0
119.08586	59.2
121.06518	17.8
121.10146	32.3
123.08074	23.8
123.11720	9.7
125.09655	25.0
127.03903	10.3
128.06233	6.3
129.05557	6.0
129.07033	21.5
131.08575	28.2
133.06468	12.0
133.10136	38.2
135.08032	11.9
135.11720	18.3
137.05931	3.2
137.09602	10.8
141.07027	3.5
143.08592	16.1
145.06479	8.0
145.10152	36.6
147.08031	15.7
147.11746	19.9
149.09605	16.2
149.13254	5.1
151.11211	4.1
153.06973	3.1
153.09158	4.6
153.12732	7.8
155.08505	6.6
157.10152	16.3
159.08008	4.3
159.11702	12.7
161.09663	9.3
161.13252	3.9
163.03874	6.0
163.11197	26.5
165.12711	6.4
169.10110	4.5
171.08057	3.7
171.10330	5.2
171.11708	10.4
173.04448	4.6
173.09644	8.2
173.13252	6.8
175.11159	13.3
177.12761	3.6
181.12213	8.8
183.11743	5.5
185.09688	2.9
185.13239	5.0
187.11185	4.4
189.11272	15.3
191.10643	7.6
193.12212	27.8
199.11258	4.9
201.12761	3.6
203.14253	4.3
209.11610	6.6
211.13286	30.7
214.48680	3.1
215.14345	3.9
223.13249	10.0
227.12766	33.0
229.19563	3.3
234.54530	3.5
245.18806	3.4
249.14845	5.5
255.17578	4.5
257.18948	8.5
267.16010	21.3
273.18478	21.4
275.20102	51.0
279.12195	3.5
283.12842	4.6
283.15451	45.3
285.17017	14.3
291.19547	58.3
297.18542	4.4
313.21396	4.8
331.22873	4.0
347.22385	5.5
349.23703	23.9
354.45908	3.1
365.23224	14.8
429.20245	6.3
435.24072	3.8
465.29791	3.3
477.28583	10.4
483.31430	3.7
528.37408	12.8
539.33130	5.0
557.34772	42.6
575.35931	43.8
701.38776	8.1
719.39941	24.0
737.40259	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	18.4
55.01870	26.2
55.05514	44.9
57.03442	17.4
57.07077	5.7
61.02923	7.8
65.03934	4.7
65.46086	2.5
67.05508	100.0
69.03430	35.9
69.07080	34.3
69.45302	20.2
71.01345	3.1
71.04983	16.6
73.02917	8.5
74.01233	3.0
79.05496	70.8
81.03421	85.3
81.07058	94.9
83.04987	21.4
83.08628	24.5
85.02913	24.9
85.06532	5.5
91.05486	79.4
93.07047	56.6
95.04980	36.7
95.08610	47.0
97.02900	23.3
97.06548	18.6
97.10160	14.8
99.04464	8.2
99.08113	4.7
103.05445	4.2
105.04494	4.8
105.07033	56.2
107.04964	18.8
107.08588	38.7
109.02888	17.0
109.06506	15.2
109.10163	37.1
109.64339	2.7
111.04444	12.8
111.08076	12.1
115.05373	4.1
117.07017	25.6
119.08587	50.0
121.06495	10.9
121.10141	30.4
123.04427	4.6
123.08065	10.4
123.11699	7.5
125.09639	14.7
127.03935	13.7
128.06219	9.8
129.05515	3.5
129.07013	24.9
131.08580	28.1
133.06555	6.7
133.10155	29.5
135.08055	7.2
135.11681	10.5
137.09621	9.7
139.11174	3.3
141.07019	8.4
143.08580	16.4
145.06508	3.2
145.10143	28.9
147.08073	9.8
147.11737	24.3
149.09636	15.0
149.13298	4.8
151.11252	4.0
153.12709	3.5
155.08534	10.3
155.10590	4.5
157.10127	20.2
159.08145	4.6
159.11760	17.8
161.09622	8.0
161.13219	6.7
162.15375	3.1
163.11162	9.8
165.09099	3.6
165.12787	5.1
166.07805	3.2
169.10104	5.6
171.11716	11.7
173.04471	12.8
173.09680	5.2
173.11719	7.4
173.13297	8.9
175.11212	11.4
177.12753	5.2
181.10161	4.8
183.11630	6.1
185.13307	8.3
187.11234	3.4
189.11209	6.2
191.10713	3.8
193.12248	19.0
195.11652	4.5
197.13350	3.2
209.11644	4.6
209.13420	3.2
211.13202	17.4
213.12904	4.1
227.12849	13.8
229.14357	17.5
239.17986	3.4
247.20543	5.6
257.19049	4.5
267.15933	14.5
269.17459	4.7
273.14951	4.0
273.18509	11.3
275.20074	32.4
283.15491	7.2
285.16800	6.9
291.19659	17.0
301.16516	4.9
303.00500	2.9
349.23700	9.8
365.23380	5.0
433.30942	4.4
439.27002	6.8
453.28442	5.6
503.33658	5.6
517.35272	5.4
525.35797	20.8
539.34064	2.8
543.36957	21.9
557.34753	12.9
575.35437	14.7
639.33002	3.3
719.39850	8.6
737.40009	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26150	3.5
52.67135	3.9
53.03933	14.9
55.01876	22.8
55.05519	40.6
57.03444	32.9
61.02934	5.9
65.03927	9.8
67.05514	100.0
69.03426	27.0
69.07067	29.5
71.01367	4.2
71.04985	14.8
71.47813	6.0
73.02911	3.5
79.05093	5.3
79.05503	78.0
81.03423	91.4
81.06604	4.2
81.07066	83.4
83.04996	30.0
83.08616	26.4
85.02919	21.2
85.06544	11.9
91.05485	79.0
93.07049	64.7
95.04976	82.2
95.08616	42.5
97.02896	25.3
97.06544	22.6
97.10155	12.3
99.04448	8.0
102.82327	3.4
105.07042	57.4
107.04962	28.8
107.08604	40.3
109.02877	11.5
109.06528	49.3
109.10168	19.8
111.04440	15.7
111.08076	12.3
113.06017	25.9
115.04015	4.6
117.07044	29.3
119.08598	46.4
121.06505	13.8
121.10161	20.8
123.04423	4.7
123.08040	9.3
123.11694	7.0
125.06049	5.7
125.09641	8.5
127.03920	13.9
128.06186	6.4
129.05492	8.3
129.07047	21.5
131.08604	35.9
133.06477	8.6
133.10152	30.0
135.08044	52.4
135.11655	17.2
137.09633	5.9
141.07019	5.8
142.07779	7.5
143.08549	14.0
145.06473	5.5
145.10143	29.8
147.08031	11.9
147.10658	3.4
147.11710	18.5
149.09657	18.0
149.13281	7.2
155.08612	5.7
157.10136	18.8
159.08102	5.3
159.11705	16.3
161.09604	10.3
161.13297	5.3
163.11174	17.7
165.09171	3.8
165.12784	5.5
169.10123	5.0
171.11694	8.5
173.04475	4.9
173.09662	7.7
173.13255	9.3
175.11191	12.7
177.12750	6.3
181.12234	6.1
185.09639	6.3
185.13310	7.2
187.14845	4.0
189.11188	5.6
191.10672	7.0
193.12263	25.6
199.14838	7.6
209.11781	7.1
211.13245	26.0
217.15845	14.3
227.12840	16.7
229.14316	4.2
245.19026	6.1
257.19003	9.1
267.15942	28.7
273.18512	41.8
275.20029	30.4
283.15442	10.0
285.16980	7.4
291.19556	99.2
292.19812	4.1
308.74799	3.7
323.21817	3.7
347.22162	11.6
349.23660	9.2
365.23407	17.1
429.21347	19.5
465.28995	3.7
496.63391	3.4
539.33356	8.3
557.34833	41.8
575.35895	21.9
701.39026	9.9
719.40533	23.1
737.39264	11.9
740.02618	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	736.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
55.05516	9.9
57.03438	1.2
57.07076	1.2
62.06103	1.0
64.10709	0.8
65.03951	1.4
67.05510	35.3
69.07077	9.4
69.33766	3.0
69.34177	2.1
71.05013	1.4
71.08619	1.1
74.09725	12.7
77.03928	0.9
79.05502	35.7
81.07066	29.5
83.05000	1.5
83.08609	3.3
85.05273	1.3
91.05488	17.9
93.07052	35.3
95.04974	3.0
95.08617	24.9
97.06530	0.9
97.10182	1.1
98.06067	4.7
105.04506	1.6
105.07037	8.0
107.08607	15.2
109.10165	7.7
111.08121	1.2
112.07627	0.8
117.07039	2.9
119.08585	7.1
121.10148	12.8
123.11698	0.8
124.01643	0.8
125.00008	0.6
131.08572	6.9
133.10138	5.0
135.11723	7.0
137.09656	0.8
138.47963	0.7
145.10129	2.5
147.11737	2.4
149.13222	1.6
159.11717	2.1
161.13292	1.7
173.13319	2.1
184.07391	1.8
187.14987	0.7
201.16518	0.7
208.17102	0.8
261.22150	3.5
304.26373	33.9
317.24667	1.6
334.90085	0.7
335.25839	15.3
466.84589	0.8
595.47247	100.0
596.47870	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	736.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
55.05502	0.3
56.05037	1.0
57.03433	0.1
57.07078	0.5
58.06621	0.4
59.07383	0.2
60.08166	7.0
67.05505	0.6
69.07053	0.2
70.06586	0.2
71.07376	4.1
71.08617	0.3
71.49095	0.1
79.05502	0.5
81.03409	0.1
81.07061	0.7
83.08618	0.2
85.10184	0.1
86.09708	35.7
87.10040	0.2
90.58173	0.1
91.05487	0.3
93.07037	0.4
95.04978	0.1
95.08610	0.4
97.02872	0.1
97.06506	0.1
97.10175	0.2
98.98465	4.4
104.10746	2.6
105.07041	0.2
107.08589	0.3
109.10165	0.2
111.04435	0.2
117.07020	0.2
119.08598	0.2
121.10152	0.2
123.11697	0.1
125.00006	23.7
126.00375	0.1
129.06946	0.1
131.08583	0.2
135.11682	0.2
143.01073	0.2
143.42097	0.1
145.10155	0.2
153.12723	0.1
157.48763	0.1
163.11198	0.2
166.02660	0.2
184.07341	100.0
184.43974	0.1
185.07726	0.7
209.11790	0.3
227.12715	0.1
283.15433	0.4
301.16470	0.4
312.26370	0.1
313.27292	0.8
354.43521	0.1
359.26080	0.1
400.11963	0.1
479.78897	0.1
485.35117	0.1
496.34412	0.2
504.13846	0.1
521.38312	0.2
539.39478	0.3
595.47003	0.3
704.44934	0.3
725.36694	0.1
736.47559	6.9
737.47247	0.4
752.23254	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	736.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01880	13.1
55.05519	23.9
57.03440	22.0
57.07082	2.3
59.05007	3.1
61.02927	2.0
65.03918	2.6
67.05186	3.0
67.05514	48.1
69.03431	14.4
69.07065	9.6
71.05009	10.6
71.49546	2.4
79.05082	3.1
79.05505	52.7
81.03430	90.7
81.07064	43.6
83.01335	3.9
83.04996	26.7
83.08627	27.8
85.02925	22.8
85.06536	5.2
86.09712	3.3
87.04429	2.1
91.05495	48.2
93.07051	44.7
95.04981	36.5
95.08619	18.9
97.02888	10.9
97.06544	11.0
97.10165	8.1
98.14348	1.6
99.04459	6.4
99.08104	2.4
103.05461	2.3
105.07047	32.5
107.04312	2.8
107.04975	26.8
107.08602	21.6
109.02885	6.0
109.06555	9.3
109.10159	12.7
111.04469	9.4
111.08083	13.6
117.07041	10.4
119.08601	25.1
121.06509	8.8
121.10159	12.7
123.08085	9.9
125.09612	7.2
127.03912	7.4
129.07045	14.8
131.04901	3.4
131.08589	17.8
133.06467	5.3
133.10170	13.7
134.06859	2.0
135.08069	5.9
135.11708	15.0
137.09665	4.3
139.07512	2.8
142.07762	3.9
143.08586	2.7
145.06468	3.3
145.10153	16.7
147.08044	6.1
147.11707	14.7
149.09608	8.0
151.11143	2.4
153.12724	8.4
155.08624	2.3
157.10155	12.4
163.11203	20.7
165.12813	3.7
171.11777	2.9
173.04633	2.1
173.05971	2.7
173.09637	5.9
173.11749	3.4
175.11220	10.8
181.12254	3.8
184.07344	5.1
189.11185	3.1
191.10707	4.5
193.10652	3.2
193.12277	30.3
209.11752	7.6
211.13330	35.0
223.13289	6.5
227.12735	12.4
229.14415	12.3
236.96066	2.5
247.13341	2.8
265.14380	8.4
267.13104	2.0
267.15948	36.0
273.18469	2.1
283.15442	28.6
285.17068	19.4
291.19589	3.0
297.17014	5.8
353.15823	4.5
383.22131	3.5
421.25763	12.1
427.19611	16.8
457.25888	9.7
461.28796	2.9
471.27490	3.6
475.26935	28.3
489.28549	10.4
493.28027	100.0
494.28101	4.4
507.29965	2.3
619.30579	6.9
637.32220	38.8
655.33240	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	735.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	13.9
55.01873	12.9
55.05516	36.8
57.03445	15.3
57.07069	2.9
58.59773	2.9
61.02927	3.5
61.75858	2.5
65.03948	3.1
67.05509	82.9
69.03433	13.8
69.07076	25.2
71.04976	8.9
75.49254	2.5
76.36465	2.5
79.05496	96.0
81.02999	3.5
81.03428	30.7
81.07057	97.9
83.04993	23.7
83.08632	15.1
85.02895	9.7
85.06523	6.6
91.05484	100.0
93.07047	84.2
95.04976	31.8
95.08608	47.8
97.02881	9.7
97.06513	17.1
97.10159	9.7
98.21534	4.8
99.08124	3.6
103.03995	2.5
103.05454	3.3
105.04507	4.0
105.07037	75.3
107.04965	18.8
107.08600	34.3
109.02888	4.1
109.06521	9.7
109.10168	15.7
111.04438	4.9
111.08123	6.2
115.05455	4.9
117.07008	30.3
119.07806	4.7
119.08588	56.7
121.06508	10.4
121.10146	21.3
123.08051	11.1
125.09647	5.9
127.03899	10.3
128.06215	3.4
129.07001	23.0
131.08566	27.2
133.10146	35.3
135.08032	9.3
135.11696	9.9
137.09631	4.1
141.06966	4.3
143.08528	16.6
145.06500	4.4
145.10117	26.9
147.08032	6.0
147.11685	34.0
149.09627	10.4
149.13269	4.8
151.11316	3.0
155.08534	4.7
157.10094	7.2
159.08015	3.8
159.11716	15.8
161.09686	6.0
161.13301	12.3
163.11183	10.9
169.10127	7.8
171.11697	27.4
173.04346	6.3
173.09583	3.9
173.13289	7.4
175.11104	3.9
176.15660	2.6
183.11728	4.9
185.13194	3.3
189.12749	10.1
195.11731	3.7
197.13329	4.4
203.14359	3.5
207.13795	22.9
225.05463	3.1
227.12825	8.1
239.17993	3.4
247.20580	4.7
257.18942	9.4
260.31488	2.7
267.15982	3.9
275.20129	53.3
275.23087	2.5
281.17508	58.7
287.16534	3.8
291.19498	3.1
293.21185	2.8
346.15549	2.8
349.23801	27.9
453.74054	3.3
475.30527	27.9
537.35443	4.3
555.36786	36.3
573.37262	11.0
619.34552	4.3
735.41443	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	735.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.2
55.01875	15.6
55.05514	24.3
57.03437	14.5
59.50266	2.8
61.02928	5.2
65.03925	5.8
67.05511	73.3
69.03440	15.9
69.07070	27.2
71.04990	5.2
71.49255	2.8
71.49685	3.9
73.02950	2.9
74.27268	2.6
75.48067	2.4
77.03931	3.3
79.05498	100.0
81.03423	35.4
81.07059	94.5
81.07534	5.4
83.04989	20.5
83.08607	14.5
85.02891	9.7
85.06549	4.6
88.54668	2.7
91.05483	87.6
93.07048	87.0
95.04969	25.0
95.08617	53.9
97.02900	12.0
97.06533	15.5
97.10157	8.4
97.33080	2.6
98.94994	3.1
99.50813	2.8
103.05464	4.6
105.04466	4.5
105.07034	72.7
107.04958	18.9
107.08591	42.2
109.02885	6.7
109.06521	16.2
109.10159	16.9
111.08093	4.1
111.70372	2.9
115.05424	6.3
115.88670	2.8
117.07024	27.4
119.08584	52.2
121.06516	8.1
121.10155	18.8
123.02518	3.0
123.08054	8.0
123.11686	3.6
125.09607	3.6
127.03907	7.7
128.06213	5.6
129.05487	5.3
129.07010	26.7
131.08574	24.4
133.06483	4.2
133.10120	34.8
135.08061	8.1
135.11736	15.4
137.09616	6.7
141.07007	5.4
143.08554	14.6
145.06470	6.7
145.10132	25.8
147.08095	5.6
147.11688	39.6
149.09592	13.9
149.13254	7.9
155.08504	6.5
157.10101	10.2
159.08032	3.3
159.11736	18.3
161.09636	7.0
161.13245	13.3
163.11180	8.9
163.14716	3.4
169.10089	5.6
169.34773	3.1
171.11703	28.6
173.04454	10.6
173.13237	10.3
175.11336	3.1
177.12712	5.2
181.12170	2.8
183.11667	5.5
184.07217	2.8
185.13298	3.5
189.11172	4.3
189.12791	10.0
195.11806	4.0
197.13263	3.0
207.13799	23.2
219.13608	2.9
227.12743	6.8
229.19460	4.0
239.17899	3.8
257.19000	14.0
267.16000	4.9
275.20065	59.3
281.17484	56.3
287.39059	3.2
339.17719	3.5
349.23846	28.8
350.24536	3.0
389.99771	3.0
475.30557	35.8
537.35748	4.0
555.37000	41.7
556.37415	3.9
573.38135	16.3
619.34753	7.0
717.41675	4.5
735.41010	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	735.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.2
53.48300	3.1
54.44844	2.7
55.01875	27.2
55.05514	50.2
57.03442	25.6
57.07076	3.6
59.04983	6.2
61.02927	6.5
65.03932	7.8
65.62478	3.2
67.05507	86.5
69.03091	3.8
69.03433	45.8
69.07077	32.4
69.45526	6.1
69.45931	19.0
71.01338	3.7
71.04977	13.8
73.00550	2.8
73.02906	4.2
73.70737	2.9
79.05493	95.8
80.10699	3.2
81.03418	100.0
81.07061	75.2
83.01343	4.5
83.04977	37.5
83.08619	25.3
85.02917	22.6
85.06514	6.7
87.43872	3.4
91.05479	68.5
93.07050	75.1
95.04980	37.4
95.08601	40.8
97.02901	31.3
97.06524	13.5
97.10163	34.5
99.04451	11.1
103.84094	3.7
105.04503	6.5
105.07035	55.9
105.94222	3.4
107.04969	28.3
107.08599	51.5
109.02889	28.3
109.06531	22.4
109.10166	34.4
111.04468	24.0
111.08053	14.1
115.05433	6.3
117.07033	32.3
117.75802	3.2
119.08605	39.2
121.06501	14.0
121.10167	23.3
123.08054	14.8
123.11727	5.8
125.05980	5.5
125.09608	27.7
127.03938	23.6
128.06238	7.5
129.07005	16.6
131.08572	31.6
133.06500	10.6
133.10156	29.2
135.08057	8.8
135.11687	17.6
137.09589	7.8
143.08560	19.7
145.06445	9.9
145.10126	35.1
147.08040	16.9
147.11688	11.8
149.09612	17.4
149.13214	3.4
151.11162	4.5
153.09123	5.5
153.12744	10.3
155.08556	9.8
157.10136	13.8
159.08028	7.7
159.11656	9.5
161.09593	10.8
161.13313	3.5
163.11180	30.6
165.06924	3.8
165.09103	4.0
169.10130	6.7
171.11734	10.7
173.04501	7.5
173.09602	9.5
175.11156	10.6
177.12805	3.3
181.10139	3.7
181.12198	13.9
183.11685	6.1
185.09679	3.8
187.14868	5.2
189.11223	19.5
189.12700	4.7
191.10719	9.6
193.12274	7.8
195.11734	3.6
201.12749	6.7
209.11734	12.3
223.11403	3.3
223.13342	14.9
227.12767	44.4
245.18974	5.0
249.14783	6.6
267.15823	5.2
273.18463	30.2
275.20010	6.5
283.15369	40.1
291.19534	85.9
347.22339	10.3
365.23303	22.9
399.21582	4.8
427.19568	12.5
453.24893	5.5
461.29370	4.6
493.27802	4.9
541.35339	9.1
555.33173	12.5
573.34076	24.9
604.14783	3.6
699.37836	3.6
717.38245	41.3
735.39618	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05044	0.6
58.06364	0.2
58.06625	0.5
58.26836	0.1
59.07389	0.1
60.08166	6.1
60.66752	0.1
64.05385	0.1
67.05510	0.7
69.07067	0.3
70.06580	0.2
71.07377	3.9
79.05487	0.5
79.80921	0.1
81.03422	0.5
81.07067	0.6
83.04995	0.2
83.08614	0.3
85.02858	0.1
86.09709	30.9
87.10040	0.3
89.06065	0.3
91.05468	0.2
93.07059	0.4
95.08610	0.5
98.98464	3.3
104.10740	2.1
107.04964	0.2
109.10164	0.2
116.07109	0.2
119.08580	0.2
121.10159	0.2
125.00009	21.3
135.11697	0.2
143.01021	0.2
184.07347	100.0
185.07683	0.9
193.12210	0.2
221.83376	0.1
267.15991	0.6
311.25800	0.5
503.37207	0.3
522.35651	0.2
653.20258	0.2
732.48071	4.9
733.49524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	0.7
55.05524	1.7
57.03442	1.7
61.02930	3.5
65.03961	0.5
67.05504	4.5
69.03435	2.5
69.07076	1.3
69.64926	1.2
71.01382	0.3
71.04995	0.8
73.02928	2.8
79.05499	4.5
81.03411	1.7
81.07063	2.8
83.04991	0.4
83.08623	0.4
85.02904	3.1
87.04459	0.5
91.03951	2.2
91.05488	3.1
93.07052	5.6
95.04952	0.8
95.08602	2.1
97.02892	3.1
97.06537	0.8
97.10186	0.9
99.04484	0.8
101.02404	1.2
103.03947	0.4
105.04530	0.3
105.07022	2.7
107.04967	0.5
107.08584	3.3
109.02914	0.9
109.10169	0.8
111.08107	0.3
115.03928	0.3
116.27760	0.3
117.07030	1.2
119.08589	2.1
121.10165	1.2
125.09665	0.7
127.03935	1.3
129.05467	0.4
129.07033	0.8
131.08574	0.9
133.10162	1.7
135.11696	3.2
143.08611	0.3
145.10146	1.2
145.24396	0.3
147.11687	0.7
159.11684	0.6
163.11267	0.6
171.11774	0.6
185.04247	0.7
189.12874	0.3
221.11481	0.7
223.13432	0.4
227.20129	0.4
243.08408	2.4
249.14952	0.3
254.20865	0.3
255.15950	0.6
275.20023	0.5
287.93707	0.3
301.09045	1.1
317.21158	0.5
373.11261	0.7
373.23514	0.4
385.18558	0.3
429.17581	0.6
439.19431	8.0
465.21149	0.5
511.21732	0.9
535.28680	4.9
553.27454	0.4
571.36890	0.5
595.31116	0.7
663.33795	0.4
733.41327	100.0
734.41681	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	734.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
55.32513	0.1
56.05031	1.1
57.07068	0.3
58.06613	0.5
59.07372	0.2
60.08166	6.2
66.21916	0.1
66.40368	0.1
67.05500	0.3
68.13232	0.1
69.07066	0.3
69.83701	0.4
70.06577	0.1
71.07377	3.4
71.08620	0.1
79.05477	0.2
81.03419	0.3
81.07030	0.5
83.08581	0.3
85.10185	0.1
85.88506	0.1
86.09707	31.6
87.10044	0.2
91.05492	0.3
93.07048	0.2
95.04944	0.2
95.08594	0.2
98.98469	3.5
102.09158	0.2
104.10742	2.8
105.07040	0.3
107.08556	0.1
109.10221	0.1
119.08577	0.1
125.00008	21.2
143.01083	0.2
149.09634	0.2
184.07343	100.0
185.07686	0.9
193.12196	0.1
221.56180	0.1
224.79456	0.1
230.44748	0.1
267.15906	0.1
299.14951	0.1
313.27368	0.3
346.21002	0.1
443.97006	0.1
471.48721	0.1
485.17819	0.1
497.44641	0.1
505.38248	0.1
524.36804	0.2
734.49707	6.0
735.49738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.05047	0.9
57.07079	0.4
58.06626	0.5
60.08167	6.2
63.20988	0.2
63.60601	0.2
67.05513	0.5
69.58075	0.7
71.07372	3.6
71.08636	0.3
79.05499	0.5
81.07062	0.6
83.08616	0.3
86.09710	32.0
89.06005	0.2
91.05484	0.4
93.07047	0.4
95.08615	0.3
97.10135	0.2
97.13287	0.2
98.60600	0.2
98.98467	3.6
104.10744	2.1
105.07045	0.3
107.08611	0.4
109.10175	0.4
117.85768	0.2
125.00011	21.9
133.10089	0.2
163.11261	0.2
184.07349	100.0
185.07628	0.5
193.12325	0.3
194.83630	0.2
242.52800	0.2
291.19495	0.2
313.27234	0.2
377.46344	0.2
524.37000	0.2
732.35675	0.2
732.48126	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	732.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
56.05041	0.9
57.07054	0.2
58.06626	0.5
59.07400	0.3
60.08167	6.2
67.05519	0.6
69.07050	0.1
69.48099	0.5
69.48526	0.3
70.06612	0.2
71.07379	3.1
71.08651	0.2
79.05499	0.2
81.07049	0.4
83.08624	0.2
86.09711	30.4
87.10048	0.2
89.06042	0.9
91.05487	0.2
93.07063	0.2
95.08611	0.3
98.98470	3.8
104.10746	2.4
105.07027	0.2
105.56686	0.1
107.08628	0.2
119.08632	0.1
125.00011	21.2
133.08601	0.6
143.01083	0.2
177.11293	0.2
184.07350	100.0
185.07681	0.8
185.19461	0.1
188.93564	0.1
195.46126	0.1
379.61920	0.1
397.81625	0.1
446.87549	0.1
452.72989	0.1
456.75668	0.1
468.23752	0.3
491.36835	0.2
504.34430	0.1
533.07117	0.1
603.35565	0.1
631.72198	0.1
732.35358	0.2
732.47955	4.1
733.48389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
51.67746	0.6
52.33149	0.6
52.35484	0.6
53.03951	4.5
55.01857	2.1
57.03432	0.7
58.80594	0.6
67.05495	2.5
69.03436	4.2
70.94462	1.7
71.01360	0.8
71.04993	1.3
77.03933	1.0
79.05499	6.9
81.03416	4.9
81.07047	1.5
83.04984	0.8
85.02910	3.2
91.05470	3.9
93.07040	3.8
95.04977	72.0
97.02898	11.4
103.05469	6.4
105.03404	0.9
105.04523	1.6
105.07001	0.7
107.04964	55.4
109.02888	26.9
109.06514	2.3
109.97083	0.6
121.06530	10.6
123.03579	1.1
123.04439	14.1
125.02364	30.5
125.06029	4.7
127.03948	4.1
131.04959	2.6
133.02876	1.8
133.06531	0.9
135.04404	3.1
137.06013	0.8
145.04956	0.9
147.04355	0.8
149.05995	18.0
151.03915	100.0
152.04276	1.1
153.05481	10.2
155.33168	0.7
159.04428	3.6
167.07040	0.7
171.02713	0.7
177.05482	26.9
195.06548	73.7
196.06918	1.5
213.07590	21.5
213.09552	1.4
295.08252	1.4
321.09738	2.2
339.10736	5.6
357.11835	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.3
55.01897	0.9
56.95881	1.0
57.81004	0.9
67.05511	2.0
69.03418	4.7
70.69880	1.8
70.70214	2.3
71.05002	1.3
76.68001	1.0
79.05506	7.3
80.61581	0.9
81.03429	6.5
81.07045	2.6
85.02901	2.0
91.05492	3.9
92.64929	1.1
93.07047	4.6
95.01276	1.4
95.04983	75.4
97.02900	12.9
98.21164	2.5
99.28611	1.3
103.05475	7.0
105.04517	3.0
107.04968	58.1
108.89917	1.0
109.02890	28.6
109.06539	2.6
113.16728	1.1
121.06531	10.6
123.04449	14.3
123.77787	1.0
125.01475	2.3
125.02370	33.7
125.06023	3.8
127.03915	3.6
131.04959	4.0
133.02870	2.2
135.04433	4.5
137.05980	1.3
145.04962	1.8
149.05994	19.0
151.03922	100.0
151.59581	1.0
152.04298	1.3
153.05469	10.4
159.04468	3.5
175.26418	1.1
175.91277	1.2
177.05490	29.3
195.06554	72.7
196.06940	1.3
213.07584	18.6
269.06424	1.3
295.08075	1.4
321.09824	1.1
328.98749	1.0
339.10791	6.0
357.11880	4.9
363.46118	1.1
380.56750	1.4
396.03387	1.0
460.76218	1.1
747.71985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03943	3.4
55.01865	2.7
55.43933	0.7
57.03444	1.2
58.67907	0.7
59.45963	0.7
60.87122	0.8
61.31321	0.8
61.41377	0.9
65.03915	0.9
65.14410	0.7
67.05513	3.9
69.03429	5.8
69.98305	0.8
69.98624	3.5
71.01366	1.1
71.60358	0.7
77.03931	1.1
79.05498	7.8
81.03416	4.2
81.07055	2.1
83.01345	1.1
85.02908	3.6
90.61976	0.8
91.05484	7.5
93.07040	4.4
95.04975	50.4
95.08581	0.9
96.80127	0.7
97.02911	7.8
103.05478	5.1
105.03412	3.8
105.04520	2.5
105.07045	4.3
107.04964	30.2
108.05202	1.0
109.02886	18.8
109.06519	3.0
115.05452	1.4
116.06248	1.0
117.07032	3.7
119.04927	1.3
119.08575	1.8
121.02849	1.0
121.06504	8.2
123.04427	11.5
125.02364	29.4
125.06001	3.4
127.03940	3.7
128.06224	2.8
129.05455	0.8
129.07014	7.4
131.04970	5.4
131.08565	4.4
133.02866	2.0
133.06473	2.9
135.04431	5.2
137.05957	1.4
141.06961	1.9
143.08595	1.0
145.04961	1.1
145.06480	2.6
147.04379	2.0
147.07988	6.3
149.02321	1.1
149.05992	16.0
151.03914	100.0
152.04277	1.1
153.05481	9.4
153.06970	2.8
155.08571	1.3
157.06477	3.4
158.07220	0.8
159.04419	3.6
159.08075	1.3
161.05956	2.6
163.03900	1.4
165.06989	2.6
166.07747	1.6
166.43378	0.8
169.05109	1.6
169.06462	1.3
171.08032	0.9
175.03918	2.3
175.07503	4.7
177.05478	20.5
177.09070	1.2
181.05026	0.9
181.06549	2.7
181.10129	1.2
183.08136	1.4
185.05917	3.9
185.09583	1.1
187.07602	1.1
191.06966	0.9
191.08548	1.6
193.08601	1.5
195.06544	42.5
197.05954	0.8
199.07561	2.0
201.05475	1.7
202.07841	1.1
203.03320	1.7
203.07013	6.5
205.04933	1.8
209.06033	1.8
209.09694	1.4
211.07628	1.5
213.05672	1.5
213.07585	3.3
217.10078	1.1
218.07216	0.8
221.08093	5.3
227.07100	1.7
231.06618	1.2
233.09657	1.6
237.05516	2.0
237.09129	1.2
239.06996	1.7
251.10847	1.6
255.06500	2.7
255.10327	1.5
257.08109	3.2
261.09103	1.5
261.77924	0.8
265.05170	0.9
265.08319	1.2
273.07553	2.8
275.09235	5.0
279.10144	2.0
283.06070	1.9
283.09720	1.3
289.08618	1.6
295.08218	1.3
297.11200	0.9
301.07065	3.2
301.10730	2.5
307.09534	2.0
309.11218	0.9
317.08057	1.0
319.08331	4.0
321.09570	1.3
325.10742	3.7
327.12262	0.9
335.09198	1.7
339.10754	3.9
343.11942	1.8
353.10202	5.7
357.11951	4.5
361.12848	1.7
371.11197	7.7
389.12369	10.5
407.12936	1.1
489.14044	1.1
666.83307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03945	3.6
55.01859	1.4
67.05511	2.2
69.03433	6.2
71.01353	1.6
71.05021	1.7
77.03928	1.6
79.05496	7.1
81.03432	5.0
81.07058	1.2
85.02904	3.1
85.24786	1.0
91.05483	3.7
93.07030	6.3
95.04977	70.3
97.02901	10.6
97.06509	1.3
101.56281	1.1
103.05483	5.9
105.03380	1.4
105.04503	1.9
106.67700	1.1
106.96419	0.9
107.04964	58.5
109.02148	2.0
109.02888	35.0
109.06523	3.4
110.26140	1.1
113.85758	1.1
118.75426	1.1
121.06515	10.8
123.04436	14.1
125.02363	41.0
125.05963	4.9
127.03891	6.4
131.04968	4.3
133.02846	2.0
135.04407	2.9
149.06009	23.2
151.03914	100.0
153.05525	9.1
159.04414	3.1
177.05490	36.1
195.06552	74.9
200.54431	1.0
213.07600	11.9
260.73911	1.2
264.15295	1.0
295.08286	2.1
303.08664	1.2
339.10718	8.2
357.11902	9.4
479.29474	1.2
526.87616	1.0
702.16223	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	730.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62160	0.1
55.05505	0.2
56.05040	0.7
58.06630	0.6
60.08167	6.6
67.05496	0.4
69.07080	0.2
70.06609	0.1
71.07378	3.9
76.91988	0.1
79.05497	0.2
81.07048	0.4
85.90675	0.1
86.09710	32.5
87.10065	0.1
91.05480	0.3
93.07049	0.2
95.08608	0.2
98.98469	3.8
104.10752	2.6
105.07004	0.2
105.42853	0.1
109.10158	0.2
112.59409	0.1
119.08588	0.1
125.00012	23.4
143.01114	0.2
145.10165	0.1
179.58763	0.1
184.07350	100.0
185.07715	0.8
335.25775	0.2
520.33759	0.2
585.95062	0.1
681.70343	0.1
712.45929	0.1
730.46582	4.8
731.46704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44146	0.1
55.05523	0.1
56.05034	0.9
58.06630	0.4
60.08163	5.8
67.05503	0.2
69.39604	0.6
70.06592	0.1
71.07373	3.9
78.32786	0.1
79.05476	0.2
81.07047	0.2
85.02932	0.1
86.09705	29.0
87.10042	0.3
91.05503	0.2
95.08618	0.2
98.98468	3.6
104.10741	2.3
114.74162	0.1
117.99953	0.1
125.00005	21.3
133.10071	0.1
160.84439	0.1
168.45052	0.1
170.02116	0.1
177.12105	0.1
184.07339	100.0
185.07703	0.9
468.23346	0.2
569.54565	0.1
573.84998	0.1
681.51923	0.1
695.85010	0.1
717.24725	0.2
730.46588	3.6
731.46448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
56.05039	0.7
57.07083	0.4
58.06612	0.4
59.04997	0.3
60.08167	6.1
67.05513	0.5
69.07082	0.2
70.10556	0.2
71.07377	3.3
71.49979	0.3
79.05495	0.6
81.07055	0.8
83.08604	0.3
85.10185	0.3
86.09710	29.7
89.06019	0.4
91.05507	0.4
93.07050	0.6
93.65058	0.2
95.08610	0.3
98.98466	3.9
101.91171	0.2
104.10749	1.8
105.07022	0.3
109.06441	0.2
121.10163	0.3
125.00010	19.8
133.08620	0.3
137.02249	0.2
184.07349	100.0
185.07613	0.4
218.19176	0.2
227.41318	0.2
255.23293	1.7
287.60352	0.2
589.48029	0.4
633.59821	0.2
644.68372	0.3
730.46637	3.2
731.45398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54182	0.2
55.05505	0.2
56.05037	0.7
57.07053	0.2
58.06355	0.1
58.06610	0.3
60.08164	6.4
61.08477	0.2
65.70871	0.1
67.05506	0.5
67.37867	0.1
70.06591	0.2
71.07376	3.5
71.50071	0.1
79.05496	0.2
81.07056	0.5
86.09705	28.9
91.05471	0.3
93.07047	0.3
95.08604	0.4
98.98466	3.3
98.99055	0.3
104.10732	2.2
121.10171	0.2
125.00004	21.4
135.11690	0.2
149.27240	0.1
184.07339	100.0
185.07689	0.6
221.91551	0.2
367.84973	0.2
466.21964	0.3
676.02136	0.2
730.35052	0.2
730.46478	3.3
731.45850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01908	0.5
55.05511	0.9
57.03443	1.8
59.04996	0.8
61.02932	3.5
67.05502	2.5
69.03435	2.1
71.05006	1.1
71.21296	0.5
71.21626	0.8
73.02923	2.7
76.43801	0.5
79.05499	2.3
83.04990	0.8
83.08640	1.2
84.68354	0.5
85.02917	3.6
91.03959	2.3
91.05498	3.2
93.07067	2.1
95.04996	1.8
95.08635	1.0
97.02900	2.8
97.06596	0.8
101.02388	1.5
105.07053	2.1
105.46648	0.5
107.04987	0.8
107.08583	1.2
109.02922	0.9
109.10146	0.6
109.77633	0.5
111.08108	0.7
119.08609	1.8
121.10168	1.5
127.03958	1.2
129.07060	1.3
131.08620	1.7
133.10146	1.4
147.11728	1.2
149.09648	1.7
157.10178	1.3
175.11188	0.9
181.98579	0.5
185.04305	0.8
193.12270	2.5
200.39334	0.5
207.30278	0.5
211.13351	0.7
225.14960	0.6
243.08578	2.2
251.12531	0.6
267.15952	0.7
283.15332	3.2
308.06516	0.6
469.20566	8.9
501.23187	8.2
729.36719	100.0
730.36957	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	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01868	1.9
58.04075	1.2
65.03945	13.0
67.05504	1.7
69.03427	3.1
71.48407	2.0
79.05476	5.6
82.04176	2.4
85.02897	3.7
91.05482	8.8
93.03413	8.4
95.01315	1.9
95.04974	2.7
97.03851	1.2
103.05479	3.1
105.07047	6.3
107.04969	8.8
109.02850	2.5
110.03669	12.4
111.04439	9.1
115.05432	2.6
117.07031	2.9
119.04951	8.0
122.03642	2.0
122.05569	1.5
123.04424	5.8
125.06015	17.4
128.06194	2.0
129.07008	4.9
131.04933	4.5
132.05699	2.6
133.02869	1.6
133.06494	4.3
137.06009	12.8
144.08076	3.8
145.06418	2.7
147.04405	8.1
147.08083	1.5
149.06020	3.1
151.03906	5.3
151.07532	2.8
153.05478	70.8
155.04889	2.2
159.08037	7.8
161.05974	8.2
162.06723	1.5
163.03896	5.4
167.07054	49.4
172.05267	2.1
175.07558	13.9
176.06352	1.3
177.05467	4.0
178.07773	2.3
179.07024	5.5
181.04964	2.4
185.05972	2.4
186.06808	2.1
187.07565	9.9
187.64229	1.3
189.05455	4.3
189.07004	3.0
189.09016	3.1
190.07823	3.8
191.07018	4.8
191.08603	3.8
195.06538	1.6
199.07561	5.2
202.07796	3.8
203.08553	4.7
205.06473	2.8
205.10228	1.6
206.07318	2.0
207.08145	1.8
208.08789	1.5
215.06960	3.5
216.07829	5.2
217.08624	1.3
218.07217	5.6
219.08096	12.1
220.08850	4.7
221.05948	3.4
221.09587	4.5
229.06477	2.3
229.08600	7.8
231.08063	4.3
232.08694	2.4
233.05927	3.7
233.09613	4.0
234.06833	3.4
234.10349	1.5
235.07497	6.2
236.08267	5.2
237.09023	3.2
245.06038	2.1
246.06947	2.3
247.07561	5.4
248.08347	6.0
249.09061	7.3
250.06001	1.9
250.10059	1.7
251.07036	3.6
251.10643	10.8
259.07639	1.8
260.08386	3.7
261.05548	3.4
261.09158	4.5
262.10013	1.5
263.07169	4.4
263.10617	2.7
264.07925	9.4
265.08618	12.7
266.09265	1.9
274.06256	1.5
275.06979	4.3
276.00473	1.4
276.07767	11.2
277.08658	6.7
278.09265	4.3
279.10141	10.0
280.10739	1.9
281.08282	2.4
281.11743	4.1
282.51508	1.4
289.08517	3.0
290.09296	2.1
291.10043	4.0
292.07315	2.4
293.08029	7.9
293.11288	2.8
294.08859	2.4
295.09744	1.8
304.07303	3.2
305.08145	1.8
306.08847	2.5
307.09653	37.2
308.10190	7.6
309.07962	2.4
309.11081	9.1
311.12698	3.0
319.09769	9.4
320.10330	2.6
321.11038	3.9
323.12738	7.6
329.19028	1.4
337.10474	2.3
339.12292	100.0
340.12698	4.4
341.13855	11.2
351.12286	38.0
352.12808	2.5
353.13776	7.9
369.13303	2.9
371.14868	3.7
499.17612	1.6
637.88281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01863	1.0
58.98222	1.1
65.03656	1.3
65.03945	13.7
67.05504	2.0
69.03414	3.2
70.34492	1.6
70.34821	2.1
78.04726	2.4
78.91524	1.2
79.05481	4.7
81.03428	1.8
82.04195	3.1
85.02906	4.0
91.05492	7.2
93.03412	10.7
95.01320	2.3
95.04967	4.4
97.02898	1.5
98.21477	1.3
103.05473	4.0
105.03388	1.5
105.07027	7.4
106.04138	1.5
107.04957	7.9
108.02058	1.3
109.02881	2.3
110.03668	11.4
111.04460	11.1
115.05441	4.0
117.07016	1.5
118.04155	2.6
119.04962	5.9
119.08611	1.9
121.06561	1.8
122.03609	1.3
123.04424	5.3
124.05177	1.8
125.02354	2.1
125.05996	16.5
127.05400	1.2
128.06245	2.2
129.07007	4.7
131.04947	4.4
132.05714	1.7
133.02873	3.2
133.06467	6.1
134.03654	1.2
135.04420	2.8
137.05963	8.7
143.04921	1.1
144.05757	1.9
144.08136	3.0
145.06476	2.1
146.03665	1.6
147.04414	7.3
147.08023	2.1
149.05934	2.4
151.03926	6.6
151.07538	2.3
153.05470	71.2
154.05836	1.7
159.08063	4.9
161.06003	8.0
162.06754	1.9
163.03935	3.4
163.07500	2.2
165.05551	1.6
167.07053	46.4
169.06419	1.6
171.04453	1.8
175.07549	15.0
176.04695	1.3
177.05446	4.3
179.06972	5.7
181.05023	3.3
185.05995	2.2
186.06708	1.8
187.07518	10.0
189.05434	4.7
189.07043	4.4
190.07799	3.3
191.07059	5.7
191.08623	5.0
193.08539	1.9
194.07201	1.7
195.06485	2.0
195.08136	1.5
199.07526	5.6
202.07759	3.9
203.08583	4.3
204.09258	1.6
205.06554	1.8
206.07208	2.2
207.06418	2.1
207.08118	3.3
208.08820	2.1
209.08051	1.9
215.06943	2.1
215.08734	2.4
216.07762	6.9
218.07326	5.6
219.08073	11.5
220.08894	5.4
221.06029	4.4
221.09631	4.0
222.06731	1.5
229.08604	7.4
231.07977	4.1
232.08900	1.8
233.06017	3.2
233.09567	5.8
234.06755	4.5
234.10310	1.8
235.07564	5.9
236.08287	5.2
237.09143	3.1
245.06139	1.3
246.06761	4.7
247.07413	6.2
248.08321	5.6
249.05515	1.7
249.09190	7.0
250.06284	2.2
250.09795	2.8
251.07088	2.9
251.10683	11.8
259.07507	3.0
260.08340	3.7
261.05533	2.3
261.09137	4.1
262.10019	1.2
263.07101	3.8
263.10486	3.0
264.05338	1.8
264.07782	8.9
265.08618	13.3
266.09308	2.5
274.06213	1.5
275.07043	3.1
276.07809	9.9
277.08627	10.3
278.06213	1.6
278.09341	5.3
279.06760	2.0
279.10159	9.3
280.11041	1.5
281.11655	4.7
288.07977	2.4
289.08569	4.4
290.09427	1.7
291.10165	4.7
292.07410	1.8
293.08099	6.0
293.11548	2.4
294.08694	1.8
296.10495	1.3
304.07382	2.9
305.07962	2.4
306.08850	3.8
307.09668	38.5
308.10464	8.4
309.11200	7.6
311.09177	1.4
311.12759	2.4
319.09659	12.1
320.10403	3.0
321.11121	6.6
323.12686	8.5
324.09921	1.9
336.09702	1.5
337.10449	2.2
339.12274	100.0
340.12717	3.8
341.13821	11.8
351.12292	37.2
352.12924	2.7
353.13834	5.6
369.13263	3.4
371.14709	3.3
499.17307	2.4
504.32626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
70.62263	13.5
79.05499	12.5
79.21974	4.2
89.03930	6.5
95.04983	17.6
103.05476	5.1
105.07037	5.7
107.04953	58.2
109.02882	7.7
117.60563	4.3
121.57229	4.6
123.04503	5.4
125.02364	12.0
129.15021	4.8
135.04451	16.7
145.02820	10.7
147.04410	17.2
149.05994	6.9
151.03896	52.9
153.05489	5.3
161.05952	7.0
161.27118	4.1
163.03922	100.0
176.09114	4.8
177.05447	13.9
182.87775	4.5
187.50401	4.8
195.06557	16.6
210.24620	4.4
213.07597	19.7
218.99666	8.2
237.00772	10.3
284.14719	4.4
342.12567	5.0
371.70648	5.5
461.71182	4.7
495.14978	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	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
55.05512	29.7
56.04983	2.5
57.03447	25.4
60.08139	3.0
61.02930	3.5
62.40245	2.5
66.18049	2.7
67.05508	74.2
69.07079	17.8
69.50876	2.9
71.01352	5.2
71.04978	8.8
77.03969	3.2
79.05499	84.3
81.03407	9.0
81.07057	53.0
83.04977	10.1
83.08599	12.5
85.02901	5.2
85.06532	7.0
86.09715	26.8
91.05491	65.5
93.07049	89.2
95.04967	9.5
95.08617	29.3
96.59187	2.9
97.02888	3.1
97.06522	14.8
97.10171	11.6
99.08122	3.7
105.04509	3.6
105.07041	65.1
107.04939	2.9
107.08601	56.5
109.10183	18.4
117.07017	19.8
117.35045	2.8
118.99302	2.5
119.08594	53.9
119.38770	2.7
121.06513	3.0
121.09448	3.2
121.10168	29.0
124.99999	12.4
128.72293	2.6
129.07001	12.7
131.08562	20.2
133.10138	49.5
135.11700	69.3
142.07724	2.9
143.08559	11.5
145.10133	30.0
147.11700	47.2
149.09622	3.0
149.13202	9.6
157.10106	12.0
159.11717	19.6
161.13246	29.0
163.11166	11.1
163.14822	3.3
171.11710	14.2
173.13278	13.1
175.14876	14.2
181.12216	16.5
184.07353	59.4
185.13240	14.7
187.14821	6.7
199.14844	4.7
213.16457	3.4
217.69786	3.1
229.49315	3.4
231.21086	4.5
241.19543	32.8
253.14301	10.5
255.15924	98.3
259.20581	100.0
278.66473	2.9
315.23242	7.3
333.24234	51.4
396.21988	2.7
421.30994	6.7
439.32587	5.7
513.35809	64.0
517.95215	3.2
531.36780	19.0
684.16150	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	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91597	1.1
53.03942	2.1
55.01863	2.4
55.05511	7.2
56.08244	1.2
57.03426	3.8
57.07074	1.9
60.08178	5.8
61.02921	1.5
65.03957	2.1
67.05510	35.3
69.03416	2.9
69.07069	8.4
69.83147	1.9
69.83489	5.6
71.04987	3.4
71.07383	5.2
71.08607	1.6
74.95442	1.0
79.05071	1.6
79.05498	18.4
81.03417	1.5
81.07066	32.3
83.04980	4.6
83.08611	4.0
85.02892	2.3
85.06528	3.7
86.09713	34.1
91.05486	21.9
93.07051	20.5
95.04971	4.3
95.08615	14.3
95.55807	1.1
97.06527	3.0
98.98467	2.6
99.04482	1.2
104.10777	2.4
105.07042	19.9
107.08598	22.4
109.06501	2.1
109.10171	33.6
113.06017	1.1
117.07005	2.6
119.08564	5.8
121.10156	6.8
123.11675	6.3
125.00014	24.1
127.07554	1.1
128.06233	1.2
131.08588	3.5
131.75681	1.1
133.10152	36.1
135.11673	4.7
145.10120	2.5
146.98166	1.3
147.11639	1.4
149.13246	2.4
151.11194	18.8
159.11801	1.4
161.09624	1.5
161.13309	1.0
169.12224	3.3
173.13261	1.3
184.07361	100.0
215.12914	1.9
224.61287	1.1
231.74020	1.1
233.22668	1.1
243.21126	2.6
253.14375	64.8
254.14757	1.5
261.22318	6.4
271.15408	20.0
317.24597	1.4
335.22083	2.2
335.25851	30.7
404.43741	1.2
439.32095	1.6
457.33475	1.3
513.35785	3.7
531.36841	33.2
532.37201	1.5
545.38110	2.1
669.37488	2.6
728.44312	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	728.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01859	4.0
55.05508	6.0
56.05035	1.4
57.03436	6.2
57.07068	1.1
57.29712	1.0
60.08179	4.6
61.02905	1.6
65.03917	1.5
67.05508	34.2
69.03420	2.8
69.07064	9.3
71.04996	2.3
71.07367	3.4
71.49928	1.6
74.09706	1.3
79.05496	16.5
81.03416	2.4
81.07061	29.9
83.04977	4.7
83.08607	1.6
85.06533	2.8
86.09709	32.9
91.05486	17.7
93.07044	17.5
95.04967	3.6
95.08613	14.3
97.06513	2.0
98.98458	4.3
99.04456	1.2
104.10748	1.2
105.07034	17.4
107.08595	18.2
109.06507	1.8
109.10161	30.8
117.07027	2.2
119.08578	4.5
121.10134	6.8
123.08136	1.2
123.11711	5.6
125.00015	19.7
127.07532	1.5
131.08554	3.9
133.09123	1.8
133.10136	36.4
135.11694	3.4
143.08502	1.2
145.10123	2.4
146.98120	1.3
147.11757	1.9
149.13245	1.3
151.11203	16.0
159.11702	1.9
163.11230	1.2
169.12257	3.6
173.13182	1.7
180.27368	0.9
184.07349	100.0
185.07678	1.5
192.62318	1.1
215.12791	1.1
243.21187	1.6
253.14368	70.1
254.14563	1.3
261.22168	8.9
271.15402	19.4
290.52930	1.0
307.83231	1.1
316.73886	1.0
335.25809	33.2
336.26169	1.5
439.31845	1.6
457.33423	1.6
513.35803	4.6
524.64319	1.1
531.36847	33.6
532.37622	1.3
545.37744	1.6
587.46686	1.3
669.36230	1.9
728.45325	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	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65664	0.1
56.05040	0.7
58.06311	0.2
58.06625	0.5
59.07362	0.1
60.08166	6.4
62.43221	0.1
62.90165	0.1
67.05495	0.2
70.06602	0.1
71.07377	3.9
74.26999	0.1
79.05487	0.4
81.07043	0.3
86.09708	32.8
87.10038	0.1
91.05468	0.2
93.07040	0.2
95.08638	0.2
97.06516	0.1
98.98466	4.3
104.10742	2.5
105.07036	0.2
107.08601	0.2
119.08620	0.1
121.10148	0.1
125.00008	23.1
131.08603	0.1
133.10025	0.1
143.01041	0.1
184.07344	100.0
185.07710	0.8
340.88519	0.1
350.79767	0.1
354.04211	0.1
458.74283	0.1
468.23569	0.2
531.35651	0.1
539.51801	0.1
728.45013	3.2
729.45453	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	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21556	0.1
55.01885	0.1
55.05507	0.2
56.05037	0.7
58.06624	0.3
60.08168	6.6
67.05505	0.4
67.35828	0.1
69.07072	0.2
69.30260	1.1
70.06601	0.2
71.07379	3.4
79.05519	0.2
81.07074	0.3
83.08619	0.1
86.09711	31.1
87.10039	0.3
91.05491	0.2
93.07048	0.2
93.07649	0.1
95.08652	0.3
95.17030	0.1
98.98470	3.7
104.10752	2.1
105.07042	0.2
107.08587	0.2
124.00307	0.1
125.00011	20.9
133.36833	0.1
143.01007	0.1
145.10223	0.1
156.56949	0.1
184.07350	100.0
185.07813	0.6
335.25613	0.2
482.77481	0.1
520.33795	0.2
610.54858	0.1
728.44989	3.4
729.44678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.8
58.06307	0.2
58.06615	0.5
59.07393	0.1
60.08165	6.3
67.05498	0.4
70.06596	0.1
71.07374	3.8
72.07653	0.1
75.77373	0.1
79.05482	0.3
81.03391	0.1
81.07047	0.4
86.09707	32.4
87.10048	0.3
91.05442	0.2
93.07021	0.3
95.05017	0.1
95.08609	0.1
98.98467	4.1
104.10738	2.3
105.07030	0.1
119.08561	0.1
125.00005	23.2
126.00354	0.1
133.10100	0.2
143.01041	0.1
161.21527	0.1
166.02725	0.1
184.07339	100.0
185.07709	0.8
392.34906	0.1
458.57336	0.1
492.52979	0.1
518.32654	0.2
728.44965	4.2
729.45355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05036	0.8
58.06366	0.2
58.06629	0.4
59.07388	0.2
60.08163	6.2
62.23406	0.1
67.05511	0.4
70.06579	0.1
70.19708	0.2
70.20094	0.2
71.07375	3.5
79.05488	0.3
81.07060	0.5
86.09705	31.2
87.10044	0.4
93.07051	0.4
95.08621	0.2
98.20842	0.2
98.98465	3.9
104.10741	2.3
105.07039	0.2
107.08607	0.2
114.87627	0.1
125.00004	20.8
133.10117	0.2
134.53835	0.1
137.86176	0.1
143.01056	0.2
166.02736	0.1
184.07338	100.0
185.07701	0.6
466.21909	0.3
531.37195	0.2
624.27319	0.1
728.45020	3.1
729.44788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01874	1.1
55.05507	1.2
57.03432	1.4
59.05016	0.8
61.02932	4.1
64.67701	0.4
66.24168	0.4
67.05506	3.5
69.03433	2.9
69.61145	1.1
69.61562	1.2
70.48257	0.4
71.04998	1.2
73.02924	3.2
79.05499	3.1
81.03422	3.9
81.07058	2.8
83.01328	0.4
83.04989	1.2
83.08624	1.2
85.02908	3.8
85.06539	0.7
86.09717	1.2
91.03967	1.9
91.05486	3.0
93.07054	3.2
93.29825	0.4
93.93437	0.4
95.04990	1.7
95.08619	1.3
97.02908	3.8
97.06536	0.6
99.04469	0.9
101.02370	1.9
103.05604	0.4
105.07035	2.1
107.04966	1.1
107.08615	1.2
109.02892	1.0
109.06528	0.7
109.10167	1.0
111.08128	0.7
115.03953	0.5
117.07016	0.5
119.08585	1.1
121.10182	1.6
123.08098	1.0
125.00018	1.1
127.03960	1.2
129.06976	0.8
131.08604	1.5
133.10182	1.1
135.11714	0.7
145.10156	1.3
147.11725	1.1
149.09660	2.0
157.10167	1.0
163.11201	2.4
175.11241	0.8
184.07350	3.0
185.07816	0.6
193.12306	1.3
197.15463	0.6
202.13004	0.4
209.11740	0.7
243.08482	2.2
243.10611	0.4
249.11142	0.7
267.16000	1.0
283.15253	3.6
303.99615	0.4
305.13513	0.5
339.17825	0.6
447.27536	0.8
448.27960	1.9
467.18893	7.5
480.30142	0.5
501.23019	8.0
695.32739	0.6
727.35144	100.0
728.35284	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	726.479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89938	1.2
53.03947	5.6
55.01865	2.0
55.05312	1.3
55.05516	15.5
57.03437	18.2
57.07075	4.2
61.02919	3.0
65.03936	2.4
67.05510	70.4
69.03433	1.6
69.07073	22.9
70.98802	1.2
70.99121	3.0
71.04984	4.9
73.02903	2.8
79.05500	43.9
81.03424	2.6
81.07063	85.2
81.96902	1.3
83.04977	5.2
83.08629	13.8
85.02890	2.7
85.06558	5.2
86.09695	3.2
91.05485	26.0
93.07052	66.7
94.70609	1.5
95.04957	2.8
95.08610	39.0
97.06550	10.0
97.10166	3.3
99.08085	3.0
105.07045	12.3
107.08605	29.8
109.06561	2.7
109.10173	11.7
111.08071	5.5
113.09655	1.8
113.18941	1.4
117.07038	8.0
119.06081	1.5
119.08610	10.7
121.06582	2.0
121.10152	23.6
123.11709	4.1
125.00010	2.5
131.08580	12.0
133.10161	10.5
135.11685	13.2
137.13225	1.6
137.40500	1.4
139.11195	2.4
145.10139	4.2
147.11691	4.5
149.13266	30.7
150.19786	1.3
151.11230	1.6
159.11694	13.3
161.13219	2.5
163.14795	1.5
173.13303	3.5
177.12804	5.6
178.66510	1.6
184.07336	11.4
187.14821	1.9
192.73053	1.4
195.13799	10.7
234.96861	1.5
243.21129	2.6
246.81752	1.5
261.22189	7.7
269.17502	100.0
270.17587	1.6
317.24847	2.2
335.25827	61.7
455.35031	2.8
529.38940	98.5
530.39099	4.6
726.45081	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	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.0
53.03929	2.9
55.05515	13.7
55.09645	0.9
57.03440	13.3
57.07059	2.0
61.02932	4.6
65.03931	4.5
67.05506	68.7
67.11330	0.9
69.03432	2.6
69.07069	18.3
70.10806	3.7
71.04993	1.7
73.02883	1.3
77.03889	1.1
79.05497	46.8
81.03411	2.6
81.07059	79.1
83.04962	4.1
83.08169	1.0
83.08626	13.2
85.02893	4.4
85.06524	2.3
86.09708	1.3
89.67337	1.0
91.03917	1.7
91.05479	24.7
93.07045	53.3
95.04961	3.8
95.08608	40.7
97.02878	1.7
97.06505	5.3
97.10147	2.6
105.04535	1.5
105.07030	14.6
107.07885	1.5
107.08599	29.7
109.10169	13.2
111.08073	2.6
117.07014	9.0
119.08585	9.1
121.06458	1.3
121.10146	17.3
123.08064	1.2
123.11703	6.4
125.00000	1.5
125.09570	1.1
131.08566	12.6
133.10132	15.2
135.11688	13.9
139.11163	0.9
145.10118	5.4
145.68404	1.0
147.11671	4.0
149.13257	10.4
151.11105	1.4
159.11705	11.1
161.13269	3.2
163.14821	1.7
173.13271	4.2
177.12752	3.0
183.67274	1.0
184.07362	6.8
187.14833	1.4
195.12541	0.9
195.13867	9.6
201.33607	1.1
208.59129	1.0
213.14804	1.3
233.22693	1.2
243.21048	2.8
251.95964	1.0
258.12384	0.9
261.22159	7.4
267.15933	1.2
269.17480	60.9
270.17679	1.1
317.24667	2.5
335.25809	100.0
336.26099	3.6
437.34662	1.3
529.38898	93.8
530.39099	5.2
547.39703	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	726.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05510	0.6
56.05036	0.7
57.03432	0.2
58.06382	0.2
58.06632	0.4
60.08170	5.5
67.05505	2.0
69.07070	0.7
70.06591	0.2
71.07381	3.5
75.34771	0.2
75.43963	0.1
79.05487	1.3
80.44799	0.1
81.07061	2.0
83.08621	0.3
86.09711	31.2
91.05491	0.8
93.07042	1.4
95.05008	0.3
95.08597	1.0
97.06532	0.2
97.10227	0.2
98.97868	0.3
98.98475	3.8
104.10764	2.2
105.07039	0.5
107.08610	0.7
109.10189	0.6
117.07014	0.2
118.45405	0.2
119.08579	0.3
121.10149	0.7
123.11764	0.2
125.00014	21.4
129.07126	0.2
131.08554	0.2
133.10129	0.5
135.11731	0.4
135.48407	0.2
138.45784	0.2
143.00989	0.2
144.00600	0.2
147.11728	0.2
149.13223	0.3
159.11653	0.3
161.13249	0.2
184.07352	100.0
185.07680	0.6
195.13884	0.3
209.67493	0.1
227.12622	0.2
237.22531	0.2
239.47342	0.1
255.23230	0.2
261.22092	0.2
269.17438	1.4
335.25848	2.0
462.43604	0.2
529.38940	1.4
632.46704	0.2
726.47003	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	726.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05042	0.9
57.03445	0.2
58.06624	0.5
60.08165	6.4
67.05175	0.2
67.05504	1.9
69.07056	0.7
69.84684	0.1
71.07378	3.7
73.41603	0.1
79.05486	1.2
81.03450	0.2
81.07055	2.0
83.04948	0.2
83.08609	0.4
86.09707	31.5
91.05475	1.0
93.07045	1.4
95.04948	0.3
95.08624	1.0
97.06523	0.2
98.20719	0.3
98.98466	3.6
104.10742	2.9
105.07043	0.6
107.08595	0.5
109.10155	0.4
117.06998	0.3
119.08593	0.3
121.10169	0.3
123.11685	0.2
125.00007	20.5
131.08560	0.3
133.10162	0.2
135.08051	0.2
135.11687	0.3
143.01024	0.2
146.19203	0.1
147.11664	0.2
149.13248	0.3
159.11703	0.3
184.07343	100.0
185.07716	0.6
195.13907	0.2
261.22214	0.2
269.17456	1.4
304.79959	0.1
335.25778	1.7
529.38696	1.6
726.47015	4.8
727.47662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87561	0.1
55.05506	0.2
56.05034	0.9
57.39796	0.1
58.06630	0.4
58.82653	0.1
59.05008	0.1
59.07388	0.2
60.08166	6.6
61.22900	0.1
63.62896	0.1
67.05497	0.3
69.07098	0.2
69.27683	0.1
70.06584	0.1
71.07373	4.3
79.05493	0.3
79.66592	0.1
81.07071	0.4
86.09708	32.6
87.10040	0.5
91.05484	0.2
93.07043	0.3
95.08609	0.2
98.21638	0.2
98.98469	4.3
104.10744	2.1
107.08558	0.2
119.08568	0.2
125.00007	22.5
126.00346	0.2
161.47040	0.1
163.01505	0.1
184.07343	100.0
185.07706	1.5
186.07820	0.5
229.41998	0.1
432.70535	0.1
503.69321	0.1
601.08887	0.1
651.55414	0.1
690.45581	0.2
726.43439	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	726.434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
58.06637	0.4
59.07402	0.1
60.08165	6.1
67.05502	0.3
69.07059	0.2
69.59409	0.2
69.59820	0.5
70.06576	0.2
71.07376	3.6
79.05516	0.2
81.07045	0.3
86.09707	32.5
86.53851	0.1
87.10026	0.3
91.05466	0.1
91.86836	0.1
93.07047	0.4
94.89169	0.1
95.04974	0.1
95.08627	0.1
98.21557	0.1
98.98466	4.0
101.70700	0.1
104.10746	2.0
105.07027	0.1
107.08580	0.1
119.08566	0.2
125.00006	22.3
152.94046	0.1
184.07343	100.0
185.07681	0.9
213.90428	0.1
259.05688	0.1
269.17542	0.1
301.14859	0.1
319.04410	0.1
407.37738	0.1
466.21964	0.2
726.43420	2.4
727.43634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99384	0.7
53.03944	1.7
55.01853	2.5
55.05522	6.0
57.03448	4.5
59.04999	1.3
65.03925	1.7
67.05511	28.3
69.03427	2.2
69.07085	3.7
69.32982	6.3
71.05000	10.7
79.05085	0.8
79.05505	11.3
81.03425	19.2
81.07066	13.1
83.04993	3.5
83.08630	7.1
85.02907	1.6
85.06538	1.0
91.05488	12.4
93.07050	10.7
95.04977	11.1
95.08602	6.3
97.02898	1.8
97.06522	3.4
97.10166	3.0
103.05502	0.7
105.07030	4.8
107.04971	6.8
107.08618	6.9
109.06527	8.1
109.10171	21.0
109.10921	1.1
110.97043	0.7
111.04493	1.0
111.08089	3.0
117.07027	3.9
119.04923	1.1
119.08589	7.1
121.06525	6.2
121.10162	3.0
123.08072	1.4
123.11738	0.7
125.09628	2.8
125.46418	0.7
129.07033	2.7
131.04941	0.8
131.08565	6.4
133.06520	1.8
133.10173	5.0
135.08054	4.3
135.11679	4.2
137.09607	3.2
139.11165	0.8
143.08606	1.5
145.04692	0.9
145.06516	1.5
145.10130	4.0
147.08061	2.9
147.11676	4.1
149.09656	2.5
155.08441	0.9
155.10655	1.2
157.10130	2.8
158.69707	0.9
159.07933	1.1
159.11650	1.7
160.08894	0.8
161.09630	1.6
163.11186	3.2
165.12813	0.9
170.01289	0.8
173.09659	1.3
173.11795	1.9
173.13347	2.2
175.11205	3.3
181.10075	0.8
185.13182	1.0
189.08923	1.0
189.11234	1.8
191.14317	1.9
193.12289	4.6
199.11099	0.9
203.10768	1.0
205.12363	0.7
211.13266	0.8
219.13892	3.8
223.44612	0.8
229.14400	0.9
243.16017	1.1
249.14986	1.7
255.15901	0.9
257.15240	1.0
261.14841	0.8
263.86337	0.8
267.15988	7.8
268.16248	1.8
275.16473	0.9
287.18594	3.8
301.21594	0.9
305.34998	0.9
311.20111	1.5
329.21091	4.7
337.21573	1.5
355.22818	2.0
378.77243	0.7
403.24677	3.5
411.25604	1.2
421.25909	13.4
429.26361	7.8
447.27469	100.0
448.27921	3.8
461.28735	3.8
479.29880	5.4
726.33893	2.8
727.31378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01873	9.2
55.05518	26.5
57.03446	22.7
57.07077	5.7
61.02927	32.6
65.03951	4.7
67.05507	86.2
69.03430	17.2
69.07072	32.2
71.01368	2.5
71.05000	15.2
73.02911	9.7
75.04464	3.5
75.49930	2.2
79.05499	82.2
81.03414	23.7
81.07059	85.6
83.04990	15.7
83.08621	16.4
85.02908	45.2
85.06554	5.3
91.03965	31.2
91.05488	71.0
93.07044	100.0
95.04961	18.5
95.08614	46.9
97.02899	32.6
97.06544	19.1
97.10192	6.2
99.04462	3.1
99.08094	6.8
103.03972	2.5
105.04536	4.4
105.07034	62.2
105.07700	4.6
107.04978	7.4
107.08603	55.7
109.02906	4.9
109.06526	6.8
109.10172	16.9
111.04472	4.1
111.08107	8.2
112.69730	2.1
113.06038	2.7
113.09689	3.1
115.05459	3.0
117.07009	21.0
119.08595	51.8
121.06515	8.3
121.10155	33.0
123.08111	4.6
123.11740	4.6
125.09640	4.0
127.03936	19.5
128.06201	2.3
129.05501	6.1
129.07018	13.8
131.08571	36.0
133.06491	5.6
133.10138	51.8
134.10432	3.0
135.08072	8.1
135.11697	35.2
137.09596	3.4
139.07538	2.9
141.26346	2.2
143.08548	11.9
145.04930	19.8
145.10138	22.7
147.11685	28.1
149.09631	18.1
149.13266	29.3
151.11137	2.5
153.09142	2.7
155.08522	3.2
157.10187	8.4
159.11674	30.5
161.09599	3.2
161.13292	20.9
163.06038	9.2
163.11180	10.5
163.14812	5.1
165.12730	2.7
167.29768	2.4
171.10268	2.7
171.11694	10.7
173.11859	3.1
173.13287	9.3
175.14838	5.7
177.12778	15.5
179.14351	3.3
184.07343	3.4
185.13242	8.9
187.14848	3.3
189.11290	2.5
189.12770	3.1
193.08624	10.6
193.12283	4.3
195.13832	10.3
199.14891	4.0
213.03146	2.4
213.16672	3.2
219.13824	2.9
229.14366	2.4
231.21054	3.1
233.31802	2.5
234.06252	2.3
239.17944	6.1
241.19528	15.4
243.12338	3.0
255.15976	2.8
257.19141	6.1
259.20593	43.2
267.15991	6.5
269.17493	83.1
275.20157	21.3
277.21664	5.0
281.17484	3.1
283.15747	3.0
333.24307	10.4
349.23740	26.7
351.25302	86.1
395.20779	2.9
410.01715	2.6
431.22543	2.8
435.26880	2.9
441.26596	4.8
453.28198	2.9
461.29056	14.7
477.28857	3.5
479.29889	4.3
495.29596	7.3
726.34210	21.8
727.33044	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	725.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01875	0.7
55.05515	5.4
57.03436	3.8
59.04989	3.0
60.06276	0.5
60.96036	0.4
61.02930	4.0
63.71034	0.4
64.00226	0.4
65.03935	1.0
67.05509	13.1
68.05834	1.6
69.03434	3.2
69.07073	3.1
71.04991	3.3
71.49596	0.7
73.02931	3.2
79.05499	9.4
80.05852	0.9
80.06282	0.5
81.03421	4.7
81.07062	12.2
82.07394	1.4
83.04990	2.0
83.08620	2.6
84.08955	0.6
85.02908	6.0
85.06535	1.0
87.04472	3.8
91.03964	2.1
91.05491	8.1
92.05801	0.8
93.07042	8.7
94.07367	1.1
95.04983	2.9
95.08603	3.7
96.08939	0.5
97.02896	3.7
97.06534	2.0
97.10181	1.4
99.04455	2.5
101.02384	0.9
101.29015	0.4
103.03920	0.5
105.07048	4.9
106.23981	0.4
107.04979	1.2
107.08595	4.2
109.02923	0.9
109.06519	1.0
109.10163	5.1
110.10497	1.2
110.61631	0.4
111.08134	1.2
117.07047	1.1
119.08584	3.3
121.06480	0.6
121.10151	3.0
123.08100	1.0
125.09667	1.5
127.03953	1.8
129.07040	2.0
131.08578	1.9
133.10164	1.9
135.11737	1.3
137.09686	0.5
145.04958	0.6
145.10172	1.4
147.11716	1.9
149.09645	2.0
149.13277	1.3
150.13573	0.8
157.10135	1.1
158.10394	0.5
159.11711	1.1
161.13261	0.6
163.11293	0.5
171.11691	1.2
173.11771	1.1
175.11227	0.8
181.12140	0.5
186.39510	0.4
193.12311	1.5
195.13902	1.2
196.14177	0.6
199.13336	1.0
227.12846	0.5
229.14412	2.8
230.14738	1.7
243.08408	2.7
247.13127	1.1
267.15945	0.6
269.17453	3.8
270.17825	3.6
283.15277	3.0
299.05606	0.6
303.15469	0.7
315.18195	1.0
339.18027	0.8
394.26141	0.5
411.27200	0.5
412.28015	0.7
423.27481	3.6
424.27740	7.3
465.21008	9.2
501.22968	7.6
725.37207	100.0
726.37408	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	724.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
55.05512	0.3
56.05038	0.8
57.03451	0.2
58.06612	0.3
59.07392	0.2
60.08167	5.6
67.05513	0.7
69.03424	0.2
69.07075	0.2
71.07378	3.0
71.76579	0.1
77.78685	0.1
79.05487	0.5
81.03410	0.4
81.07059	0.8
83.08572	0.1
86.09708	28.8
87.10046	0.3
91.05504	0.4
93.07046	0.4
95.08606	0.4
98.20725	0.4
98.98465	2.8
104.10738	2.2
105.07016	0.3
107.08577	0.2
109.10154	0.3
118.02876	0.1
119.08572	0.2
121.10117	0.2
125.00009	19.1
126.00270	0.2
128.36798	0.1
135.11697	0.2
141.41466	0.1
157.10130	0.2
184.07346	100.0
185.07695	1.4
186.07796	0.4
229.28915	0.2
496.33777	0.2
527.96356	0.2
688.45392	5.3
689.45654	0.4
724.46106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01870	2.6
55.05515	21.5
57.03442	20.4
57.07079	3.3
61.02929	4.4
65.03959	3.6
67.05511	65.4
69.03421	5.9
69.07073	17.4
71.04987	5.5
71.23600	4.3
74.51991	2.2
79.05494	51.3
81.03426	93.3
81.07063	68.9
83.04987	7.4
83.08624	23.2
85.06539	3.0
86.09760	2.6
91.05486	41.1
93.06480	4.0
93.07055	47.9
95.04983	32.0
95.08619	48.3
97.02884	5.9
97.10191	8.5
105.07034	26.1
107.04948	9.5
107.08608	31.8
109.02890	3.1
109.06570	8.1
109.10164	20.4
111.08108	6.2
115.75569	1.9
117.07016	8.7
119.08586	25.0
121.06531	2.5
121.10146	21.8
123.08088	4.4
123.11712	6.6
125.09650	4.8
127.04691	2.2
129.07024	12.0
131.08594	21.3
133.10129	14.3
135.08015	3.0
135.11725	17.4
136.39319	2.3
137.09573	3.8
137.13203	2.1
142.07765	3.2
143.08560	3.3
145.10173	9.7
147.08060	4.0
147.11710	15.9
149.09589	5.4
149.13284	9.4
157.10147	8.9
159.11728	8.0
160.11253	3.1
161.13289	5.5
163.14830	5.5
165.12685	2.9
173.13280	6.7
175.11261	11.0
175.14874	2.4
184.07417	4.2
187.14787	2.8
193.12239	23.8
209.13341	3.1
227.12843	8.0
235.13312	4.3
243.21098	4.9
258.08923	4.1
261.22171	16.1
267.15936	100.0
275.20584	2.6
299.23819	2.4
301.25348	7.0
307.86099	3.1
317.24780	3.9
335.25821	96.0
435.32220	3.4
453.33847	6.8
471.35049	3.7
527.37384	42.1
528.37561	2.7
545.38434	20.5
569.38171	4.3
649.55591	2.3
665.08374	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	724.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05509	0.5
56.05036	0.8
57.03439	0.3
58.06633	0.6
59.07387	0.3
60.08168	6.1
67.05517	1.1
68.05846	0.2
69.07072	0.4
69.26831	0.8
69.27256	0.5
70.06599	0.1
71.07375	3.7
79.05495	0.8
81.03429	0.4
81.07056	0.9
83.04996	0.3
86.09712	31.6
87.10031	0.8
91.05488	0.5
93.07035	0.7
95.04984	0.3
95.08609	0.5
97.10154	0.2
98.98477	3.6
104.10757	2.6
105.07047	0.5
107.08614	0.4
109.10181	0.3
119.08582	0.3
121.10184	0.3
125.00013	20.6
125.58259	0.1
126.00367	0.3
129.06995	0.1
133.10214	0.2
143.01044	0.2
145.10144	0.3
147.11658	0.2
184.07352	100.0
184.54337	0.1
185.07707	3.8
186.07799	1.4
265.34070	0.1
284.15738	0.2
335.25824	0.2
336.26184	0.3
407.38559	0.1
544.36646	0.2
664.48413	0.2
724.45520	4.3
725.45587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21325	0.1
53.74023	0.1
55.05501	0.4
56.05041	0.8
57.03438	0.2
57.07101	0.1
58.06366	0.2
58.06631	0.4
59.07392	0.2
60.08168	6.7
62.74154	0.1
67.05501	0.9
69.07061	0.2
70.06599	0.2
71.07379	3.4
71.50588	0.1
79.05487	0.6
81.03422	0.4
81.07055	0.7
83.04996	0.2
83.08623	0.1
83.48650	0.1
86.09711	32.4
87.10036	0.2
91.05479	0.5
91.16580	0.1
93.07053	0.6
95.04976	0.4
95.08563	0.3
97.02854	0.1
98.20688	0.2
98.98473	3.9
104.10749	2.6
104.64757	0.1
105.07076	0.3
107.04949	0.1
107.08614	0.3
109.10128	0.2
119.08566	0.2
121.10175	0.3
125.00011	22.5
131.08559	0.2
133.10187	0.2
143.01100	0.2
147.11740	0.1
184.07350	100.0
185.07750	0.7
211.13293	0.3
222.65038	0.1
229.20923	0.1
251.61513	0.1
285.17157	0.1
300.40555	0.1
307.39734	0.1
378.71402	0.1
464.24139	0.2
545.38232	0.2
673.89374	0.1
724.45392	2.7
725.45447	0.2
734.17133	0.1
754.62366	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	724.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01874	2.0
55.05513	9.0
56.43117	1.2
57.03433	8.1
66.43433	0.9
67.05509	12.9
69.03419	3.5
69.07063	3.5
69.82999	4.6
71.05000	2.2
79.05490	16.6
81.03419	67.1
81.07059	16.0
82.03745	1.4
83.04969	7.0
83.08625	19.7
85.02901	10.1
85.06550	1.7
91.05485	18.6
93.07047	9.4
95.04970	20.2
95.08600	5.5
97.02882	2.2
97.06528	2.5
97.10188	4.0
105.07032	13.4
107.04960	7.3
107.08611	6.0
109.06528	3.9
109.10174	3.0
111.04465	1.6
111.08085	6.7
117.07081	2.2
119.08583	13.2
121.06501	2.6
121.10128	6.8
123.08067	2.2
123.11681	1.4
125.09618	1.9
128.06247	1.0
129.06996	8.7
131.08583	8.6
133.06487	2.1
133.10167	6.0
135.08029	1.2
137.09654	1.5
142.07805	1.6
143.08580	1.9
145.06496	4.3
145.10167	2.1
147.08070	2.6
147.11690	8.6
149.09624	3.3
151.24368	1.0
155.08549	1.5
157.06465	1.2
157.10146	10.0
159.08174	1.1
165.12762	2.2
171.05460	1.2
175.11192	11.0
180.04851	1.2
193.12263	27.4
200.15320	1.1
211.13287	15.6
214.13272	1.1
231.13556	1.1
249.14767	1.6
255.13802	1.6
267.15918	100.0
268.16263	1.5
273.14871	4.1
285.16956	14.4
339.23163	1.7
341.21262	1.4
349.21722	2.9
367.22662	9.3
372.15121	1.1
385.23651	10.1
400.53311	1.1
403.24631	2.9
405.24539	1.4
412.94083	1.2
433.25873	13.4
441.26459	7.2
459.27432	62.8
460.27682	2.5
477.28513	38.3
648.79181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01628	1.4
55.01873	15.2
55.05513	23.3
57.03198	1.3
57.03441	17.7
57.07080	5.1
61.02927	7.2
61.26383	1.2
65.03930	2.5
67.05508	33.1
69.03440	6.2
69.07068	8.9
70.61040	2.7
70.61391	1.3
70.62988	0.8
71.01331	1.6
71.04985	2.0
73.02918	6.6
79.05496	30.1
81.03423	22.4
81.07059	23.5
82.03774	1.3
82.04198	7.2
83.01342	1.5
83.04561	1.4
83.04989	15.5
83.08629	11.5
84.02113	1.1
85.02902	5.4
85.06521	2.8
87.04453	1.3
91.03957	2.1
91.05489	21.7
93.07044	15.7
94.04186	1.1
95.04967	18.8
95.08610	9.4
96.05731	1.2
97.02889	7.8
97.06537	7.5
97.10173	17.2
98.07310	8.5
99.08083	2.1
101.06023	1.2
103.05469	1.2
105.07041	11.3
107.04962	6.0
107.08595	14.6
109.06532	5.3
109.10155	12.9
110.07311	1.3
111.04450	2.9
111.08064	5.1
113.06014	1.3
116.04718	15.4
117.05531	1.8
117.07034	6.3
119.08585	11.3
121.06500	4.0
121.10169	5.7
121.99912	0.9
123.08064	9.6
123.11715	1.0
125.05935	1.3
125.09632	25.0
126.10449	1.0
127.11184	1.3
129.05484	39.1
129.06892	6.2
131.08553	7.1
133.06383	1.2
133.10138	9.1
135.08049	4.2
135.11703	6.3
136.08826	1.9
137.09595	3.9
138.71741	1.0
139.07574	1.1
142.07741	1.4
143.07030	7.8
143.10754	1.2
145.06461	1.3
145.10152	7.1
147.08058	1.6
147.11676	5.7
149.09554	1.6
151.11148	1.1
153.09090	2.8
153.12724	2.5
157.08592	18.9
157.10086	4.5
158.05777	1.4
163.11209	10.0
164.11876	1.5
165.12775	1.6
168.33525	1.0
171.06537	1.4
171.10208	7.4
173.09599	1.1
173.11761	3.1
175.11163	4.2
181.12160	2.5
182.89626	1.2
184.07292	3.1
184.16035	1.1
185.11708	1.7
189.11252	9.5
191.10677	2.8
193.12247	7.6
199.13300	10.0
200.14023	4.2
200.53546	1.0
201.14870	1.0
209.11746	9.2
210.12459	1.7
211.13234	2.4
217.14337	2.0
223.13474	1.0
227.12788	19.9
228.13547	1.3
229.14275	5.0
241.14258	1.2
255.15829	2.3
267.15936	12.0
283.15457	9.6
283.18817	1.6
284.16064	1.8
285.16779	1.8
301.16470	100.0
302.16705	2.1
385.22794	1.1
388.34399	1.1
425.25464	1.8
443.26462	2.7
455.26434	5.0
459.27249	4.6
464.06451	1.1
476.27457	1.2
477.28122	6.7
493.27887	4.1
509.27393	3.2
510.28082	4.2
527.28540	53.1
528.28705	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	724.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87753	0.5
70.88081	0.5
80.35771	0.3
83.04976	0.5
88.50559	0.3
93.03426	0.6
95.04959	0.3
106.67527	0.3
111.04456	0.7
117.03372	0.3
135.04440	0.4
137.02284	0.4
151.50916	0.3
160.05199	2.0
161.05945	0.4
163.03915	3.0
165.07101	0.4
179.03325	0.3
181.06464	1.4
185.63353	0.3
187.03874	0.3
193.06454	0.5
195.08093	0.6
197.05974	0.4
205.06461	2.2
206.06786	0.3
211.07487	0.5
221.05994	19.0
223.07527	5.4
233.05963	1.5
234.06790	0.4
239.07056	0.9
249.05481	15.9
250.06017	0.9
251.07057	8.3
252.07617	0.3
253.05060	0.5
267.06546	2.5
269.08124	5.4
271.05975	0.9
277.04993	3.0
281.04385	0.4
285.07608	3.1
295.06030	100.0
296.06369	2.5
313.07077	12.0
314.07346	0.3
323.05533	1.7
341.06543	3.0
349.72424	0.4
469.11450	1.0
487.12305	0.7
515.11804	1.1
673.21680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01874	3.5
55.05507	23.2
57.03429	5.8
57.07059	4.8
59.04992	2.2
63.52409	2.1
65.03941	6.0
67.05504	72.3
69.03433	13.4
69.07065	15.2
71.04987	17.8
79.05495	43.3
79.05964	2.7
81.03416	24.6
81.07056	100.0
83.04977	16.1
83.08620	8.4
85.02911	3.5
85.06543	8.8
86.09709	4.8
91.05487	38.1
92.88200	2.0
93.07040	47.0
95.04961	7.4
95.08617	30.0
97.02878	6.2
97.06542	6.9
97.10155	6.2
98.20808	5.3
99.04462	2.3
99.08113	3.0
102.97392	2.2
105.07018	21.9
107.04943	3.2
107.08581	23.5
109.02869	2.9
109.06467	4.5
109.10158	20.7
111.04456	4.0
111.08080	3.3
117.07034	9.6
119.08601	16.8
121.06461	2.5
121.10145	19.2
121.83557	2.0
123.08080	3.3
123.11719	14.5
125.00050	2.6
129.05469	8.4
129.06984	4.4
131.08569	13.1
133.10135	21.3
135.08051	3.5
135.11763	10.7
139.11198	2.1
143.08556	5.1
145.10126	7.9
147.08046	3.4
147.11693	8.9
149.13254	7.5
151.11223	5.4
152.69334	2.1
157.10132	5.2
159.11647	11.5
161.13268	5.2
169.12312	2.5
171.11566	2.7
173.04453	7.0
173.13341	4.0
175.05814	2.1
175.11246	2.3
176.48288	2.2
177.12784	3.3
183.13739	3.9
184.07352	12.8
187.13301	11.0
187.14804	3.2
190.82704	2.2
193.12195	2.2
193.59888	2.3
195.11809	2.5
195.13791	2.9
201.14798	4.3
213.98563	2.3
225.14647	2.8
243.16040	4.2
257.17343	2.3
259.20721	2.2
261.22162	2.7
267.15869	2.4
269.17581	8.2
277.21451	2.1
285.17151	2.1
335.25677	15.9
339.18018	3.0
351.23438	2.0
369.24438	3.1
440.98611	2.3
445.24756	3.3
503.37390	32.9
504.37094	3.0
505.39166	10.5
517.38611	4.3
529.38849	8.8
561.41461	28.9
595.40082	2.6
625.44806	3.2
673.43091	4.5
693.45581	2.7
705.45428	5.9
723.43475	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.0
55.01868	8.9
55.05511	33.5
57.03434	15.6
59.79353	4.3
61.02941	7.2
61.55409	4.5
67.05511	73.3
69.03440	10.2
69.07071	22.8
69.74230	24.5
71.04984	16.7
79.05502	53.8
81.03424	32.1
81.07063	60.6
83.04977	16.8
83.08611	21.2
85.02914	9.9
85.06566	11.8
91.05490	67.0
93.07047	50.8
95.04973	13.6
95.08609	48.7
97.02917	7.2
97.06535	12.2
97.10167	13.6
97.36189	4.4
102.65379	5.1
105.07031	57.6
107.04935	6.8
107.08604	33.9
109.06499	5.5
109.10159	29.9
111.08118	5.0
115.05482	4.4
117.07022	28.1
119.08614	42.1
121.06576	7.0
121.10152	16.4
123.08054	6.9
123.11710	6.7
125.09682	8.5
127.03962	7.1
128.06198	6.6
129.06985	29.5
131.08568	41.8
133.10120	24.3
135.08070	6.0
135.11682	10.2
137.09602	7.5
141.07004	9.6
142.07759	5.6
143.08580	19.7
145.10152	31.3
147.11694	19.1
149.13257	7.3
155.08545	14.5
157.10155	26.3
159.08009	4.8
159.11705	20.7
160.86195	4.0
161.13239	6.8
163.11182	8.6
167.08562	8.0
169.10161	18.8
171.11691	19.7
173.13277	9.7
181.10155	10.5
183.11688	13.8
184.07486	4.8
185.13287	13.8
187.14848	6.9
193.12253	9.9
195.11694	12.8
197.13356	13.2
209.13271	6.7
211.13318	12.1
211.14998	5.7
223.14925	6.3
227.12880	8.8
229.14336	10.0
237.16370	5.7
241.19518	8.1
247.14793	5.2
259.20624	15.3
267.15936	9.0
275.20035	7.6
285.17010	6.0
297.22186	5.4
315.23138	6.5
333.24274	9.7
340.41360	4.9
349.24048	4.3
367.33075	5.2
373.85248	4.6
405.31891	4.5
415.30048	5.4
433.30997	21.3
451.32053	17.8
469.32751	6.3
485.32510	5.6
503.33121	5.2
507.34692	8.7
525.35779	50.6
543.36835	100.0
561.37708	36.1
705.42615	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	722.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46388	0.8
52.04212	1.1
53.03952	1.0
55.05515	8.0
57.03444	5.6
57.07082	33.8
59.04990	2.0
60.08154	4.0
61.02913	3.0
65.03921	0.9
67.05508	69.8
69.03422	1.6
69.07072	9.9
70.10501	2.0
70.10907	3.5
71.04670	1.3
71.05001	19.6
71.07372	1.7
71.08253	1.2
71.08638	23.3
73.51688	0.9
77.66875	1.0
79.05505	9.5
81.03383	1.5
81.07067	22.7
83.04977	3.6
83.08624	11.8
85.02887	2.0
85.06522	3.4
85.10185	15.1
86.09712	15.4
90.42771	1.0
91.03964	1.2
91.05492	10.0
93.07058	12.6
95.08616	26.2
97.02880	1.7
97.06504	2.7
97.10155	5.5
99.04477	1.3
105.07024	1.8
107.08577	6.6
109.06494	1.6
109.10162	63.5
111.08079	2.1
117.07025	1.4
119.07957	0.9
119.08601	9.0
121.10114	2.6
123.11676	3.8
125.00015	10.8
131.08620	1.2
133.10141	1.3
135.11713	8.5
137.09605	8.5
137.86311	1.0
145.10118	2.4
155.10645	3.0
163.11174	3.5
169.12196	1.6
173.11763	9.0
181.12265	1.7
184.07356	50.3
209.11812	1.0
239.23792	1.7
243.15855	1.4
255.15926	4.6
257.24902	1.2
287.15564	1.8
287.18533	22.5
313.27411	25.1
414.66470	1.4
446.25845	1.1
467.37366	100.0
468.37662	3.4
481.38867	3.7
493.38907	5.4
525.41534	94.4
526.41846	3.1
722.47009	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	722.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00949	0.2
55.05499	0.3
56.05032	0.9
57.07067	0.4
58.06370	0.2
58.06616	0.3
60.08167	5.6
67.05500	0.6
69.07082	0.3
70.43924	0.4
70.44262	0.2
71.07381	3.3
71.08625	0.2
74.09721	0.2
79.05510	0.3
81.03376	0.2
81.07069	0.9
83.08622	0.3
86.00576	0.2
86.09710	29.2
87.10072	0.2
91.05455	0.3
93.07044	0.6
95.04950	0.2
95.08607	0.4
98.98473	3.3
104.10744	2.3
105.07025	0.3
107.08595	0.2
125.00011	20.0
133.10167	0.2
145.10104	0.2
153.37538	0.2
163.11192	0.2
180.20486	0.2
184.07347	100.0
185.07678	0.7
191.97112	0.2
233.19470	0.2
247.88356	0.2
313.27444	0.2
481.38547	0.5
525.40747	0.4
535.43878	0.2
690.46515	0.6
722.49603	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	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01682	0.6
55.01878	6.2
55.05511	13.9
57.03441	9.6
57.83556	0.7
59.04998	1.6
61.02909	0.9
67.05178	1.5
67.05508	14.6
69.03423	2.7
69.07063	3.2
69.74451	4.0
71.01362	1.0
71.04988	2.8
79.05499	16.0
80.28869	0.8
81.03422	41.5
81.07056	15.2
82.72852	0.7
83.01350	3.9
83.04980	6.8
83.08624	12.6
85.02907	3.3
85.06541	1.4
90.44318	0.8
91.05485	13.5
91.55595	0.8
93.07055	15.2
95.04976	14.7
95.08615	6.5
97.02874	2.1
97.06527	2.8
97.10172	6.7
99.04482	1.1
105.07043	10.2
107.04974	6.8
107.08587	8.4
109.06519	4.9
109.10169	4.6
111.04438	2.5
111.08086	3.8
115.05443	1.2
117.07022	5.8
119.08588	10.0
121.06528	4.2
121.10126	5.9
123.08063	5.7
125.05977	1.0
125.09615	4.0
129.07004	5.5
131.04912	0.8
131.08565	6.5
133.06500	2.3
133.10133	3.4
135.08031	1.6
135.11699	5.5
137.06013	1.3
137.09636	1.2
141.06946	0.8
142.07819	0.9
143.08607	1.3
145.06503	2.2
145.10115	7.6
147.04413	1.3
147.08060	3.0
147.11668	2.8
149.09653	2.7
153.12764	0.9
155.08501	1.3
156.22299	0.7
157.10126	4.7
157.19467	0.9
161.05980	4.0
161.09625	1.1
163.11192	10.1
171.08176	0.9
173.09595	3.1
175.11229	3.5
181.12202	2.1
185.09596	1.0
189.05447	0.9
189.09227	0.9
189.11214	1.3
191.10724	2.2
193.12254	10.0
205.12262	1.5
209.11734	2.4
213.12704	1.0
227.12787	2.9
231.13832	1.0
243.13852	0.9
249.14735	1.0
265.14575	1.0
267.15936	24.4
271.13361	1.5
273.14877	2.6
283.15378	19.4
289.14404	2.7
337.21411	1.1
355.22806	1.6
365.21146	2.7
381.93707	0.8
383.22208	17.9
401.23163	7.4
419.24173	1.1
431.24097	2.1
439.24542	1.8
457.25824	30.1
458.26096	1.0
475.26959	100.0
476.27316	5.1
493.28024	8.5
517.27667	1.7
518.09784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
54.96095	2.8
55.05515	24.8
57.03429	9.5
57.07076	3.0
65.03947	6.0
66.36671	2.9
67.05508	71.0
68.22624	2.9
69.07069	30.3
71.04977	4.8
79.05495	89.0
81.03427	9.4
81.07062	72.0
83.04980	14.6
83.08637	9.5
84.04650	3.3
85.06538	7.0
85.07695	3.3
86.09714	6.9
91.05486	72.3
93.07046	85.5
95.04974	20.3
95.08612	45.4
97.06570	6.6
97.10172	5.8
98.20804	7.8
105.04486	4.4
105.07031	45.9
107.04958	9.2
107.08607	28.4
108.86678	3.0
109.06557	5.2
109.10175	13.9
117.07037	9.3
119.08588	28.5
121.10197	14.5
123.08095	5.8
124.13765	3.1
125.00034	5.0
128.06218	4.1
129.07011	13.4
131.08556	10.2
133.10168	11.9
135.11688	8.3
143.08560	7.6
145.10069	15.5
146.65622	3.4
147.11703	36.6
149.13254	3.1
159.11705	4.3
161.09712	7.1
161.13312	16.0
169.10257	3.5
171.11763	18.7
184.07332	19.1
187.14854	3.1
189.12766	8.1
207.13820	32.9
243.21339	3.3
261.22128	9.1
281.17517	68.1
335.25836	56.1
460.11475	3.6
470.83804	3.1
524.40405	6.2
541.38928	100.0
542.39087	3.8
715.93951	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	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
55.01873	10.9
55.05517	31.9
57.03434	9.4
61.02927	9.6
67.05179	4.2
67.05509	51.5
69.03430	11.5
69.07061	19.4
69.83876	9.4
71.04993	5.7
79.05499	38.4
81.03425	27.7
81.07063	46.3
83.04987	10.6
83.08637	18.7
85.02908	11.2
85.06524	3.3
86.09716	2.5
86.44471	2.9
88.07642	2.3
91.05484	38.1
93.07044	36.2
93.96712	2.6
95.04990	14.2
95.08627	21.4
97.02900	12.6
97.06532	9.8
97.10178	22.3
99.04467	3.7
103.46352	2.3
105.07036	40.1
107.04947	6.9
107.08604	25.9
109.02892	4.8
109.06526	5.4
109.10139	13.3
111.04453	2.7
111.08060	3.2
115.05482	2.8
117.07020	21.9
119.08589	26.8
121.06519	4.4
121.10154	12.0
123.08086	2.9
123.11700	2.4
125.09644	21.2
127.03933	4.0
128.06181	4.5
129.07005	17.5
131.08562	28.3
131.83508	2.4
133.06509	2.8
133.10136	16.5
134.41707	2.0
135.08041	7.3
135.11711	7.1
137.09659	2.8
141.07001	5.5
143.08560	16.6
145.10124	25.0
147.08173	3.0
147.11693	11.9
149.09679	3.3
149.13261	3.5
155.08578	7.4
157.10114	15.5
159.08095	4.1
159.11722	14.9
161.13188	4.7
163.11165	4.6
165.12761	2.5
169.10089	11.4
171.08202	2.9
171.10330	3.7
171.11710	14.7
171.12965	2.4
173.13264	9.6
175.11194	4.1
175.14792	3.4
183.11710	6.7
184.07291	3.8
185.09631	3.0
185.13257	8.3
187.11194	3.3
189.11211	8.2
193.04926	2.9
193.12341	5.8
195.11734	6.3
197.13278	7.1
199.14815	4.5
207.11626	2.8
209.13324	5.7
211.13243	7.0
212.45055	2.2
212.97214	2.2
213.16350	3.9
223.14789	2.7
227.12747	24.2
241.15956	4.0
245.13814	2.5
256.26303	5.5
257.19043	3.9
259.20609	4.9
267.15955	4.0
275.20084	13.7
283.15378	6.2
291.19504	2.9
297.22043	12.4
311.19711	2.8
315.23260	8.1
349.23843	5.8
421.30814	3.0
429.21347	3.9
431.29297	6.4
449.30472	10.1
467.31448	7.4
485.32666	5.8
513.36005	3.4
523.34473	14.2
531.36755	5.3
540.33551	2.7
541.35297	100.0
550.45929	2.5
559.36389	68.3
703.40039	10.5
721.38586	15.2
721.56409	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	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03111	3.6
53.03951	20.5
55.01871	32.3
55.05519	40.5
57.03428	17.0
65.03935	6.7
67.05504	77.9
69.03423	30.7
69.07065	34.3
69.91901	17.6
70.47346	4.4
71.04982	13.6
79.05491	61.2
80.58410	3.8
81.03423	100.0
81.07055	82.8
83.04978	25.1
83.08611	28.0
85.02902	25.8
85.06522	5.4
91.05482	96.2
93.06491	5.0
93.07050	65.7
95.04968	30.5
95.08611	33.8
97.02897	27.1
97.06532	33.9
97.10193	11.4
99.04430	9.2
103.05489	5.0
105.07030	80.8
107.04946	28.4
107.08614	31.7
109.02878	19.3
109.06519	13.7
109.10137	26.7
111.04453	13.1
111.08063	12.4
111.40168	4.4
115.05473	5.3
117.07020	21.2
119.08585	67.9
121.06478	9.7
121.10120	19.8
123.04435	4.9
123.08070	8.9
123.11733	4.7
125.09655	10.9
126.83016	3.8
127.03901	17.6
129.06998	19.2
131.08591	35.1
133.06519	8.3
133.10133	36.2
135.08049	11.6
135.11667	11.1
137.09625	9.3
143.08565	12.6
145.06476	6.7
145.10126	26.7
147.08038	10.1
147.11690	38.8
149.09619	19.5
149.13237	6.1
155.08537	4.6
157.10139	19.9
159.07977	4.3
159.11703	19.9
161.13263	6.8
163.11189	14.9
169.10185	8.7
171.11644	5.6
173.04492	15.2
173.09647	5.1
173.11749	4.0
173.13272	7.1
175.11232	14.6
177.12796	4.0
179.14330	5.2
181.12193	6.7
183.11694	5.1
185.13322	5.7
187.11218	6.3
191.10585	6.2
193.12231	32.6
197.13347	5.3
211.13272	48.1
227.12767	9.6
229.14311	4.9
247.20580	8.2
249.14958	4.2
257.18976	11.7
267.15930	25.0
275.20056	85.3
285.17032	20.0
293.21249	11.1
349.23785	39.8
355.17630	4.9
429.20956	18.8
541.35278	53.9
559.36444	33.7
703.40375	36.6
721.40210	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	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.6
53.03950	16.1
55.01872	22.2
55.05278	3.0
55.05515	40.4
56.44671	2.7
57.03437	17.7
57.07063	3.7
61.02906	4.4
65.03938	3.6
67.05508	69.8
69.03433	24.1
69.07060	22.9
69.61142	16.3
71.04984	13.7
73.02927	3.1
79.05070	4.8
79.05495	62.4
81.03421	100.0
81.07059	79.9
83.04985	32.3
83.08625	18.8
85.02902	26.8
85.06538	6.5
91.05489	71.4
93.07044	60.4
95.04980	32.8
95.08611	43.9
97.02914	23.1
97.06538	21.5
97.10155	12.7
99.02239	2.8
99.04457	11.8
99.08080	3.8
103.05515	4.2
105.07036	61.2
107.04978	18.1
107.08591	35.3
109.02892	11.9
109.06543	15.6
109.10139	16.3
111.04448	12.1
111.08094	9.5
115.05488	6.8
117.07026	21.1
119.08585	46.2
121.06491	11.3
121.10119	18.9
123.08057	7.9
123.11702	6.3
125.09624	11.0
127.03899	13.3
128.06248	2.9
129.05490	6.0
129.06985	18.8
131.08568	32.4
133.06558	4.6
133.10129	35.1
135.08055	11.7
135.11708	10.8
137.09598	6.4
141.06990	5.5
142.07773	3.7
143.08549	8.9
145.06493	4.0
145.10127	28.1
147.08066	10.0
147.11702	29.3
149.09647	18.1
149.13208	4.6
153.12691	3.5
155.08568	5.3
155.10669	2.9
157.10107	23.3
159.08002	3.0
159.11693	17.6
161.09662	4.1
161.13324	4.6
163.11188	12.7
165.12743	5.1
169.10152	8.4
171.11696	8.2
173.04555	16.1
173.05833	3.9
173.09769	3.5
173.13243	7.6
175.11206	8.6
177.12857	4.3
181.10143	3.6
183.11757	4.1
185.13257	4.2
187.11226	6.8
189.11302	3.1
189.16360	3.4
193.12256	33.4
197.13351	3.8
205.12141	3.1
211.13274	43.7
226.00861	2.6
227.12779	11.7
239.17845	4.3
257.19031	8.1
267.16006	14.9
273.18436	3.1
275.20074	73.7
285.17001	20.8
293.21115	8.8
313.21820	2.9
349.23764	31.9
411.20245	5.7
429.20767	5.8
467.31320	3.8
485.32675	3.3
523.33923	4.3
541.35236	35.2
559.36230	32.9
623.33081	3.3
685.39063	4.6
703.41199	17.1
703.52161	3.2
721.40967	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01854	2.3
55.05269	1.3
55.05511	16.2
57.03438	18.8
57.07077	38.3
59.04995	0.9
61.02927	5.5
65.03930	1.5
67.05505	27.8
69.03444	4.5
69.07069	11.5
69.90937	4.6
71.04996	5.1
71.08631	25.7
73.02911	2.1
73.09383	0.8
79.05495	19.0
81.03420	53.8
81.07058	35.5
83.04573	1.0
83.04992	12.8
83.08624	28.7
85.02908	24.0
85.06503	1.7
85.09728	1.2
85.10188	13.9
86.09692	1.5
89.06023	0.9
91.03935	2.5
91.05483	26.8
93.06498	1.0
93.07053	14.8
95.04973	22.0
95.08606	22.3
97.02900	5.7
97.06511	3.6
97.10172	8.1
98.20909	1.0
105.06404	1.4
105.07037	19.3
107.04959	4.3
107.08585	5.6
109.06514	4.1
109.10164	12.3
111.04427	2.6
111.08081	10.5
113.05988	1.3
115.05463	1.1
117.07008	1.6
119.08588	14.9
121.06479	1.7
121.10128	7.9
123.08056	1.4
123.11694	3.7
125.00030	1.5
125.09604	1.3
129.07024	8.8
131.08549	9.5
133.06454	2.5
133.10109	8.4
137.09601	1.6
137.13304	1.1
142.07773	2.7
145.10106	2.1
147.08051	2.8
147.11679	12.7
149.09659	5.8
157.10126	11.8
165.12746	2.8
175.11201	11.2
184.07391	5.0
193.12248	39.4
194.12666	1.0
211.13306	62.8
212.13644	1.0
239.23682	2.5
249.14668	0.9
257.24719	2.8
267.15933	20.1
284.06229	1.0
285.16974	70.3
286.17410	1.4
313.27377	76.6
314.27649	1.6
343.38440	1.0
465.35623	1.0
466.45038	1.0
505.38840	11.8
507.12369	1.2
523.39972	100.0
524.40649	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	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01873	1.5
55.05515	9.8
57.03441	8.9
57.07080	18.8
61.02925	1.7
67.05507	13.8
69.03414	2.4
69.07069	7.3
71.04988	2.1
71.08636	12.8
71.49348	0.6
71.49792	0.7
79.05500	9.5
81.03423	33.6
81.06599	1.0
81.07063	19.5
83.04981	6.3
83.08154	1.4
83.08620	15.9
85.02443	0.9
85.02906	11.1
85.06546	0.9
85.10188	6.9
86.09698	1.6
89.06018	0.7
91.05486	12.2
93.07043	8.0
95.04977	13.4
95.08612	14.1
96.08920	0.7
97.02892	2.4
97.06520	1.6
97.10194	4.0
99.08058	0.9
105.07037	9.3
107.04962	2.6
107.08596	4.0
109.06531	2.3
109.10162	5.0
111.04451	1.8
111.08105	4.3
113.06059	1.1
117.07007	0.8
119.08592	7.2
121.06516	1.2
121.10150	4.8
123.08114	1.5
123.11731	2.0
124.17602	0.6
124.93822	0.7
125.00075	1.1
125.09668	0.8
129.07001	3.8
131.08563	5.6
133.06480	1.4
133.10114	3.8
135.08070	0.8
135.11708	1.5
137.13239	0.7
142.07793	1.4
145.10118	1.4
147.08046	1.1
147.11708	5.3
149.09636	2.7
155.08644	0.7
157.10141	6.2
163.11293	1.0
164.11584	0.8
165.12791	1.4
165.16380	0.8
175.11176	6.7
184.07367	4.4
193.12262	22.3
211.13303	30.9
214.66232	0.6
229.55750	0.8
239.23793	1.7
257.24969	1.0
267.15964	7.6
268.04715	0.8
283.15427	1.0
284.15866	1.0
285.16968	26.8
313.27380	41.6
314.27786	2.8
315.28125	1.1
446.96362	0.7
476.21637	1.5
505.38950	7.9
522.38458	1.2
523.39960	100.0
524.39984	4.1
566.50195	0.6
622.27875	1.4
623.28235	5.1
700.13861	0.7
702.48688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.2
55.01871	11.5
55.05513	36.9
57.03433	15.2
57.07066	7.1
61.02922	15.2
65.03941	4.1
67.05180	6.2
67.05511	80.2
69.03432	8.6
69.07064	26.1
69.19197	36.5
69.75449	4.0
71.04987	9.2
74.34518	4.0
75.72863	3.8
79.05499	79.4
81.03426	24.6
81.06601	7.8
81.07060	80.8
83.04982	13.2
83.08614	16.3
85.02911	15.8
85.06528	5.5
91.03961	6.7
91.05485	100.0
93.07052	89.2
95.04964	14.7
95.08620	52.2
97.02870	5.9
97.06527	8.4
97.56358	3.9
98.20744	8.1
99.08083	4.7
105.04523	6.0
105.07040	82.7
107.04943	14.4
107.08598	41.5
109.06562	10.7
109.10149	13.5
111.70380	3.9
117.07034	25.9
119.08595	62.6
121.06496	5.2
121.10162	18.9
123.08109	6.7
128.06265	4.4
129.06996	27.1
131.08565	39.0
133.06538	4.9
133.10124	43.6
135.11667	13.5
137.09541	4.5
141.06975	6.5
142.07785	5.5
143.08534	26.6
145.10143	36.6
147.11684	57.2
149.09625	5.0
149.13335	8.3
155.08504	9.4
157.10156	20.5
159.11743	16.6
161.09669	4.7
161.13272	27.6
169.10088	13.6
171.11679	33.7
173.13257	12.8
175.14822	11.7
181.10187	11.9
183.11632	10.2
185.13245	16.5
187.11250	5.3
189.12708	13.2
193.04256	4.4
193.10164	7.4
195.11719	10.5
197.13246	10.5
199.14931	9.5
207.13795	15.9
209.13269	9.9
211.14854	7.6
213.16440	4.5
221.13371	5.7
223.14999	6.0
237.16376	4.9
241.19592	20.8
243.20975	5.8
259.20602	50.2
275.20050	8.2
279.16010	8.4
281.17447	49.2
333.24112	23.3
343.81512	4.0
437.34137	9.8
447.32681	12.5
448.43991	4.0
465.33783	12.0
483.34750	9.3
521.36041	5.4
529.39099	5.1
539.37360	91.1
557.38446	57.1
701.42224	11.5
719.43805	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	719.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	2.7
53.03959	18.9
55.01884	17.1
55.05518	45.1
55.67366	2.3
57.03446	14.8
58.77821	2.4
60.54654	2.8
65.03949	4.9
67.05512	75.6
69.03438	30.3
69.07083	26.4
69.13117	22.7
69.13523	6.5
71.04990	9.5
79.05500	69.2
81.03429	100.0
81.07069	73.3
83.01336	6.1
83.04994	25.6
83.08630	28.0
85.02912	18.2
85.06535	4.1
91.05489	73.8
93.07055	60.3
94.35081	2.3
95.04987	30.3
95.08614	37.8
97.02901	26.3
97.06539	13.4
97.10189	17.0
98.21512	6.9
99.04456	9.7
105.04568	3.1
105.07047	50.7
107.04999	16.4
107.08610	35.0
109.02892	20.4
109.06510	11.7
109.10172	21.7
109.82336	2.4
111.04467	9.9
111.08092	9.2
115.05469	5.3
117.07038	23.0
119.04970	5.8
119.08590	38.3
121.06522	12.0
121.10149	20.7
123.04443	3.7
123.08082	8.9
123.11730	8.2
125.09628	14.2
127.03912	18.9
128.06226	5.4
129.07010	11.5
130.07777	3.5
131.04895	4.2
131.08601	28.8
133.06441	7.3
133.10146	27.0
135.08057	12.0
135.11700	17.1
137.06035	2.9
137.09630	5.2
142.07765	4.1
143.08559	12.2
145.06470	6.0
145.10147	27.1
147.08057	8.6
147.11722	18.2
148.28116	2.6
149.09618	7.2
149.13231	4.9
151.11243	4.2
153.12775	5.6
155.08539	5.0
157.09010	3.0
157.10107	13.8
159.08089	2.8
159.11725	13.7
161.09656	4.9
163.11197	20.2
165.09134	4.0
169.04941	2.4
169.10175	4.6
171.10332	2.9
171.11710	10.1
173.04434	11.8
173.09619	7.0
173.13322	5.7
175.11176	9.4
177.12798	4.5
181.10161	3.9
181.12254	7.2
183.11729	4.3
187.11023	3.6
189.11243	9.8
189.12804	3.2
191.10634	7.5
193.12227	10.9
197.13235	5.3
199.11354	2.5
201.12790	3.9
209.11754	7.7
211.13254	15.9
223.13150	3.7
227.12775	20.2
247.20503	3.8
257.19012	9.4
267.15884	6.4
273.18466	15.3
274.04251	3.0
275.20090	40.2
283.15436	17.8
291.19489	29.2
293.20981	4.8
306.67157	3.2
313.21484	3.8
349.23929	12.9
353.16043	3.5
388.69376	4.0
413.35052	2.6
424.28021	5.4
427.19504	4.2
465.30380	3.4
528.37695	5.8
539.33569	9.0
557.34814	28.2
575.35449	4.7
683.37964	6.1
701.38867	16.6
719.39996	46.7
720.38617	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35325	1.9
53.03943	12.6
55.01876	42.4
55.05512	24.2
57.03427	10.1
59.04977	2.3
65.03951	4.1
67.05510	63.8
67.27581	2.1
68.89921	2.2
69.03442	19.1
69.07075	31.3
69.49282	16.5
71.05022	11.1
73.23389	2.3
75.37746	2.1
79.05499	53.0
81.03426	60.8
81.07062	60.7
83.01351	2.9
83.04984	24.0
83.08634	12.3
85.02887	8.5
85.06559	3.4
85.29688	2.0
86.09710	4.0
87.04434	3.0
91.05488	57.3
93.07052	53.7
95.01347	4.8
95.04971	18.7
95.08072	2.9
95.08620	38.0
97.02895	20.1
97.06536	60.2
97.10162	4.3
99.04463	4.9
105.07037	66.4
107.04963	27.1
107.08598	26.2
109.02863	14.6
109.06523	7.6
109.10169	14.0
111.04453	11.4
111.08072	6.6
115.05392	2.4
117.07025	21.7
118.88702	2.1
119.08584	38.0
121.06509	10.0
121.10134	14.2
122.64669	2.2
123.04404	4.5
123.08054	5.0
123.11729	2.9
125.00018	2.4
125.06055	2.8
125.09631	5.2
127.03938	15.8
129.06999	5.3
131.08580	25.4
133.10139	34.9
135.08040	4.9
135.11749	15.0
137.09612	5.6
138.10106	2.2
139.07533	3.9
143.08553	10.1
145.06497	3.0
145.10136	28.6
147.11681	17.1
149.09607	9.6
149.13260	7.7
151.11128	3.3
153.12761	10.7
155.08551	7.4
157.10098	6.1
159.11726	12.6
161.09572	3.1
161.13290	6.8
163.11163	21.7
165.09108	2.6
169.10089	4.5
171.11603	5.4
173.09645	5.8
173.13251	4.1
177.12694	4.8
179.14346	16.7
181.12247	10.1
184.07368	6.0
187.11224	2.9
191.10664	7.7
195.13730	2.4
201.12756	3.0
209.11702	6.6
220.61745	2.3
227.12807	18.1
229.14220	3.0
239.17944	3.3
247.20508	4.2
257.18994	8.4
265.14319	7.6
275.20065	100.0
283.15427	7.3
293.21014	6.5
349.23755	26.5
353.15884	9.2
427.19653	49.4
460.82962	2.6
520.55151	2.5
539.33777	10.4
557.34753	21.3
701.38928	52.4
719.40314	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	719.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03607	0.6
53.37093	0.5
63.02372	0.6
69.03441	0.7
70.75896	1.4
79.05499	0.6
81.03435	0.6
82.99827	0.5
85.02905	0.6
86.99323	0.5
89.03920	5.5
95.04967	3.5
97.02898	0.9
101.00872	6.9
107.04927	1.6
109.02844	0.6
113.00868	2.1
115.02423	0.6
117.03379	6.0
119.01923	9.7
121.02862	2.0
122.01411	0.5
127.02425	2.7
129.04027	0.6
131.01909	4.3
133.03491	1.0
135.04417	11.9
137.02943	1.2
139.02429	1.0
139.03882	0.7
141.57594	0.5
143.01907	11.6
145.02788	6.8
145.03563	4.6
147.01363	0.8
147.04353	0.9
153.04004	1.1
155.01912	7.4
157.03500	3.5
161.02972	9.3
163.03906	99.2
164.04224	3.3
167.01915	5.0
169.03482	4.2
171.01508	0.6
171.05057	2.9
173.02982	8.7
175.04526	0.6
179.01913	3.3
181.03500	1.5
185.01175	1.3
185.02965	20.6
187.04538	3.7
193.03471	2.0
195.05048	1.7
197.02985	10.3
199.04517	1.0
203.01938	4.5
203.04034	4.3
205.03540	0.8
209.02953	3.6
211.04619	0.8
213.02321	0.7
215.03969	5.3
221.02969	50.3
222.03253	1.3
223.04628	0.7
227.04080	4.2
229.03804	0.6
233.05107	0.6
239.04025	11.3
245.02995	2.2
245.05093	34.7
246.05229	1.0
247.04582	1.2
248.04742	0.6
249.06142	0.6
257.05103	13.4
259.04523	1.6
261.06143	0.7
263.03741	4.9
263.06461	4.6
271.04501	11.7
271.64902	0.6
273.06055	2.4
275.06213	5.0
277.05609	2.6
281.05045	12.5
281.07788	0.8
282.05460	0.6
283.06763	0.9
285.05911	1.7
287.03998	3.2
289.05756	4.7
291.07190	2.6
293.07416	1.1
295.06979	4.4
297.02548	1.0
297.05933	1.2
299.03467	2.6
303.07236	1.2
305.04633	4.1
305.07938	2.4
307.06796	4.6
309.08142	2.0
313.05438	2.8
315.03525	2.5
315.07156	3.9
317.05072	2.4
323.03598	1.6
323.06189	2.6
323.09891	1.2
325.07266	0.6
331.06555	6.1
333.04477	2.4
333.08200	6.1
335.05759	0.6
341.04892	3.3
349.07697	16.1
350.07922	0.6
351.05664	3.6
351.09357	2.5
359.05972	6.9
365.07343	6.6
367.08691	3.6
369.06619	4.4
371.08212	1.1
377.07147	30.0
378.07532	1.3
383.08316	1.7
395.08264	28.0
396.08737	0.8
407.09277	0.7
413.09366	1.2
437.09311	100.0
438.09735	3.8
449.02744	0.9
449.09311	17.5
450.09814	0.8
455.10477	12.5
461.09271	1.6
467.10391	23.4
468.11020	0.7
479.10501	5.0
481.11786	1.7
485.11307	1.3
491.10690	0.6
497.11469	5.7
509.11526	0.9
521.11560	1.1
531.08563	1.1
539.12573	17.1
549.09503	1.0
557.13318	2.0
583.11841	1.1
719.18439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14439	0.7
53.03916	2.1
55.01885	2.9
55.05511	10.3
57.03436	9.1
57.07076	30.2
59.04974	0.7
61.02903	1.4
65.03919	0.7
67.05507	18.7
69.03402	1.4
69.07069	11.3
69.48461	0.6
69.48808	4.5
70.06568	0.9
71.05012	2.9
71.08633	22.1
73.02917	1.3
77.54826	0.6
79.05492	18.7
81.03387	2.6
81.07061	22.8
83.04947	2.6
83.08624	15.9
85.02887	1.4
85.06524	0.9
85.10183	13.5
86.09662	1.6
87.04473	0.9
89.06055	4.1
91.05489	5.6
93.07048	27.1
94.07334	0.7
95.04984	4.6
95.08608	46.2
97.02898	3.3
97.06518	2.9
97.10167	4.3
99.04467	3.7
99.11724	0.6
103.07571	1.2
105.07042	5.9
107.04958	7.3
107.08599	20.5
108.64816	0.7
109.06474	1.8
109.10162	8.8
110.45728	0.7
111.04410	1.4
111.08044	1.8
111.11680	0.6
116.07037	1.7
117.07026	9.6
119.08591	8.1
121.06516	4.1
121.09325	0.9
121.10145	11.0
123.11685	2.6
124.99958	0.9
125.05957	1.9
125.09575	0.8
130.07735	1.6
131.08543	1.2
133.08566	1.6
133.10121	2.5
135.08043	2.2
135.11696	46.8
137.13216	1.7
139.07509	1.5
143.08469	1.0
145.10136	25.6
153.12712	0.7
155.08556	0.9
163.11182	57.2
164.11485	1.6
173.09680	1.0
181.12238	8.7
184.07310	4.5
208.72459	0.6
209.11697	2.0
210.60751	0.6
227.12787	59.0
228.13153	1.2
239.23660	1.7
257.24716	2.0
283.15405	93.9
284.15759	1.3
309.00391	0.6
313.27368	100.0
314.27737	3.4
521.38397	93.3
522.38849	5.1
718.46216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01870	3.1
55.05513	26.6
56.47520	0.9
57.03440	15.4
57.07078	7.1
61.02922	3.8
65.03934	2.3
67.05505	35.2
67.30514	1.1
69.03428	4.8
69.06734	1.8
69.07074	24.4
69.94175	5.0
71.04986	4.8
71.08638	2.6
73.06465	0.9
79.05498	26.7
81.03419	48.2
81.06591	2.2
81.07060	39.6
83.04978	14.9
83.08619	32.8
85.02908	22.7
85.06550	1.3
85.10168	2.0
86.09698	3.5
91.03972	2.1
91.05479	25.5
93.07043	23.2
95.04972	18.0
95.08606	21.4
97.02887	3.4
97.06530	6.1
97.10165	9.9
98.21550	1.2
99.08080	1.7
105.04630	1.3
105.07027	15.1
107.04936	4.3
107.08591	10.4
109.06548	2.5
109.10163	8.9
111.04458	1.4
111.08102	8.1
111.11739	2.7
115.05466	1.6
115.96743	1.0
117.06937	1.2
119.08592	17.1
121.06526	1.7
121.10152	17.1
123.08051	1.7
123.11720	4.2
125.00015	2.9
125.09666	2.0
129.06995	7.1
131.08537	6.8
133.06505	2.7
133.10124	9.6
135.11732	7.5
137.09538	1.6
137.13258	2.5
139.11281	1.1
142.07750	1.9
145.10110	3.0
147.08070	2.1
147.11696	11.0
149.09631	6.2
149.13269	2.2
157.10144	11.0
165.12759	2.4
175.11185	10.4
184.07324	11.6
193.12244	35.4
205.35509	1.2
211.13292	58.1
237.22131	3.4
267.15912	19.1
285.16962	67.0
286.17044	1.1
311.25809	75.9
312.25925	1.7
503.37366	15.9
521.38391	100.0
522.38727	4.8
563.53796	1.3
577.41254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05041	0.9
57.07079	0.2
58.06625	0.5
58.47635	0.1
59.07400	0.2
60.08168	7.0
63.77021	0.1
67.05505	0.4
68.32806	0.1
69.07072	0.2
69.71106	0.1
69.84122	0.6
70.06592	0.3
71.07378	4.3
71.08634	0.1
79.05490	0.3
81.03407	0.1
81.07050	0.5
83.08590	0.2
84.69962	0.1
86.04059	0.1
86.09711	32.6
91.05490	0.4
93.07047	0.2
95.08607	0.6
95.91496	0.1
97.10188	0.1
98.98469	3.6
101.07158	0.2
104.10754	2.5
107.08612	0.2
109.10188	0.2
116.07122	0.2
125.00014	21.6
131.08574	0.1
147.11801	0.2
184.07350	100.0
185.07726	0.5
283.15582	0.4
308.54688	0.1
313.27466	0.3
359.25900	0.3
521.38635	0.2
718.46582	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.6
55.01878	5.6
55.05513	11.4
57.03439	12.2
57.07077	24.4
59.04961	2.2
59.37159	0.5
61.02927	4.3
67.05505	14.0
69.03389	1.7
69.07069	7.1
69.15949	5.1
71.01324	0.7
71.04948	2.1
71.07331	0.5
71.08631	17.2
73.02874	1.9
79.05493	12.1
81.03416	7.2
81.07057	19.9
83.00928	0.6
83.01344	6.5
83.04985	8.1
83.08617	13.2
85.02909	6.1
85.06509	1.0
85.10184	9.7
86.09666	1.5
89.05987	1.8
91.03910	2.0
91.05486	9.1
93.07043	15.3
95.04977	5.1
95.08608	15.9
97.02891	3.7
97.06532	2.4
97.10179	3.0
99.04406	1.8
99.11716	0.6
103.05447	0.7
103.07534	1.1
105.07033	6.1
107.04339	0.4
107.04970	5.3
107.07895	0.6
107.08587	8.1
108.72565	0.5
109.06516	4.6
109.10155	6.7
111.04418	1.7
111.08054	1.6
111.11731	0.7
114.86620	0.6
117.07025	4.2
117.09140	0.9
119.08570	5.0
121.06453	1.5
121.10153	5.1
123.08080	5.7
123.11672	2.1
124.99989	1.3
125.05988	1.1
125.09598	0.8
129.06908	0.6
130.07666	0.8
131.05003	0.6
131.08533	2.1
133.10123	1.0
135.08038	1.1
135.11682	7.6
137.09560	1.4
137.13254	0.7
143.08556	0.6
143.38208	0.5
145.06427	0.7
145.10129	9.0
147.08008	1.2
149.09514	0.6
153.12711	2.1
155.08522	1.1
163.09880	1.0
163.11185	15.8
173.09575	2.0
181.12218	2.2
184.07343	6.4
185.07628	0.7
191.10629	1.8
209.11728	5.3
227.12778	2.2
239.23689	1.5
246.94505	0.5
257.24734	1.1
283.15399	100.0
284.15741	1.9
313.27365	80.4
314.27728	2.4
498.23315	0.5
521.38373	48.2
522.38611	2.3
718.47125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	21.7
55.01871	13.7
55.05519	33.9
57.03445	11.5
57.07063	4.2
65.03950	8.5
66.42780	2.9
67.05508	95.6
69.03439	28.1
69.07074	35.0
69.93136	13.3
71.05002	15.2
71.33765	3.6
72.75138	2.7
77.03934	3.6
79.05501	96.0
81.03426	75.3
81.07063	97.1
83.04989	27.5
83.08636	15.3
85.02915	15.7
85.06553	5.0
86.09711	5.4
91.05489	100.0
93.07053	92.9
95.04967	27.2
95.08623	53.1
95.19688	3.1
97.02896	19.1
97.06541	17.7
97.10168	6.2
99.04459	7.3
105.04500	4.5
105.07040	83.0
107.04949	19.0
107.08603	43.4
109.02868	18.7
109.06526	16.1
109.10186	25.1
111.04442	3.8
111.08115	4.0
115.05460	7.2
117.07031	25.4
119.08580	52.8
121.06507	7.7
121.10104	20.3
123.04445	3.1
123.08044	11.1
123.11723	6.7
125.00056	3.4
125.09648	4.3
127.03919	16.3
128.06255	10.3
129.07010	25.3
131.04945	3.9
131.08571	31.0
133.06503	6.1
133.10152	41.2
135.08072	11.4
135.11697	9.1
137.09651	9.8
141.06996	5.8
143.08568	19.2
145.06474	7.9
145.10120	33.6
147.08044	6.3
147.11708	42.0
149.09604	10.4
149.13237	4.5
151.11325	3.1
155.08502	7.4
157.10147	10.7
159.08147	5.0
159.11746	19.4
161.09666	8.7
161.13295	13.3
163.11194	12.7
169.10110	6.6
171.08086	5.7
171.11719	26.7
173.04457	21.9
173.09712	6.4
173.13292	7.3
175.11247	6.1
179.14368	3.6
183.11748	8.2
184.07353	17.5
185.13307	6.1
187.11215	4.8
187.14867	5.4
189.12817	11.1
195.11768	5.0
197.13255	5.5
207.13876	25.8
211.14818	4.4
229.14267	4.3
239.18034	5.2
247.20599	9.4
257.18994	11.8
269.15417	4.5
275.20093	60.3
275.22824	5.3
281.17477	36.1
291.19278	3.5
293.21127	6.8
331.22690	4.3
336.79816	3.2
349.23877	17.2
365.20859	3.7
419.24374	5.5
475.30624	4.8
537.36029	7.5
555.36890	37.5
619.34753	4.6
674.69049	3.4
681.39124	4.9
699.40802	12.9
717.42291	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	717.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.7
55.01866	13.3
55.05518	35.2
57.03441	13.4
57.07070	3.4
62.39430	2.9
62.73584	3.0
65.03945	6.1
67.05508	82.5
69.03426	28.6
69.07066	31.8
69.26524	5.8
69.26926	22.0
71.01361	5.7
71.04978	12.8
79.05494	100.0
81.03419	64.4
81.06602	4.6
81.07062	86.3
83.04988	23.0
83.08617	11.6
85.02898	13.4
85.06543	5.9
91.05489	88.4
93.06493	6.1
93.07050	85.6
95.04969	29.1
95.08613	49.6
97.02888	18.6
97.06542	15.2
97.10155	8.2
98.21272	13.7
99.04453	7.6
101.07139	4.2
103.05453	4.6
105.04524	4.3
105.07032	75.0
107.04977	19.1
107.08594	37.7
109.02862	12.9
109.06519	15.4
109.10152	20.2
111.04430	4.1
111.08088	6.5
115.05463	4.4
117.07018	28.0
119.08596	43.6
121.06495	7.5
121.10165	14.7
123.04479	3.0
123.08092	7.2
123.11699	4.4
125.09613	4.9
127.03966	13.4
128.06192	7.4
129.05505	6.7
129.07039	24.5
131.04926	4.5
131.08578	34.4
133.06458	5.6
133.10146	29.4
135.04489	3.5
135.08044	9.3
135.11678	9.2
137.09572	4.8
141.07007	7.8
142.07826	3.9
143.08572	13.5
145.06467	8.7
145.10117	27.8
147.08070	8.1
147.11710	37.5
149.09589	13.6
149.13194	4.7
155.08546	6.5
157.06448	4.8
157.10124	14.3
159.08043	3.7
159.11707	18.4
161.09616	11.9
161.13237	16.8
163.11217	6.7
165.09227	3.3
169.10159	8.4
171.08093	5.1
171.11673	32.2
173.04462	19.7
173.13264	6.6
174.73566	2.8
175.11142	5.1
177.12776	4.0
179.14430	4.2
181.10216	3.1
183.11636	2.6
184.07315	12.6
185.09579	4.9
185.13329	3.7
187.11148	4.9
189.11237	3.9
189.12747	12.2
191.14407	2.6
197.13304	4.9
201.12752	4.5
203.14366	3.0
207.13791	26.8
213.16266	3.5
239.17940	5.1
247.20662	5.2
255.17593	6.0
257.18994	18.8
275.20068	46.3
281.17453	40.5
287.16113	3.9
293.20944	4.6
349.23697	16.7
475.30728	16.9
537.35620	8.2
541.31665	3.7
555.36902	30.2
584.20355	3.4
619.34454	8.3
663.39417	3.8
699.41571	5.6
717.42181	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	717.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.5
55.01880	23.9
55.05515	22.5
57.03431	8.1
65.03930	3.9
65.38210	2.2
67.05186	3.9
67.05515	58.6
68.77029	2.6
69.03443	14.1
69.07077	30.8
69.27891	6.1
69.28294	17.0
71.04997	5.7
71.08620	3.8
76.19656	2.3
79.05084	2.8
79.05510	49.8
81.03430	39.6
81.07066	69.1
83.04989	17.2
83.08625	10.0
84.89685	2.8
85.02894	6.2
91.05495	91.2
93.06493	3.6
93.07056	55.3
95.01327	11.7
95.04992	27.3
95.08059	3.8
95.08625	43.1
97.02905	6.9
97.06544	37.2
97.10162	4.7
101.02392	2.9
103.05477	3.0
103.06184	2.4
105.07046	94.3
107.04958	32.5
107.08607	22.7
109.02875	5.9
109.06522	7.9
109.10155	8.5
111.08086	5.2
115.05441	3.6
116.44849	2.2
117.07041	28.3
119.08605	49.2
121.06499	7.8
121.10146	9.9
123.04436	4.8
123.08080	7.0
125.09609	4.0
127.03936	3.3
128.06227	6.0
129.07016	21.0
130.07848	2.6
131.04916	4.2
131.08574	33.7
133.06473	6.6
133.10152	39.8
135.08041	7.1
135.11713	12.2
141.06960	4.8
143.08582	13.3
145.06410	6.1
145.10136	24.0
147.08015	3.7
147.11697	22.6
149.09630	7.9
149.13280	3.5
155.08644	5.5
157.06479	3.0
157.10100	10.0
159.08098	4.7
159.11696	13.6
161.09587	4.3
161.13281	9.4
163.11130	5.9
165.09154	2.6
169.10161	4.7
171.11697	9.1
173.04489	7.2
173.13281	8.4
177.12784	6.0
179.14365	16.9
181.09982	3.5
183.11751	6.3
184.07387	13.7
185.07794	2.5
185.13277	6.2
187.11206	5.5
189.12759	4.9
191.08679	2.6
197.13213	3.0
199.14838	3.4
207.13847	5.7
247.20674	4.1
251.14140	3.0
257.18954	6.4
269.15427	8.7
275.20099	100.0
279.15988	8.0
281.17535	8.7
287.16492	8.0
293.21295	4.2
305.17609	2.6
308.60001	2.8
349.23871	25.8
361.20007	4.1
407.20511	3.1
425.21643	12.9
537.35455	3.8
555.36926	36.2
699.40668	8.7
700.41949	3.1
717.41815	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
53.88735	2.3
55.01850	3.0
55.05517	19.9
57.03434	6.6
57.07081	21.8
65.03939	2.8
67.05505	33.9
69.07068	17.4
71.04994	3.1
71.08624	16.2
75.90166	2.2
79.05499	41.4
81.03414	5.1
81.07059	41.7
83.04980	5.8
83.08625	14.4
85.10170	9.1
86.09682	2.6
89.06024	7.5
91.05480	34.3
92.15780	2.6
93.07046	41.1
95.04993	14.4
95.08623	27.7
97.06541	5.8
97.10183	3.3
99.11697	2.5
99.82994	2.5
103.15211	2.0
104.48512	2.2
105.04544	2.3
105.07022	24.9
107.04963	6.4
107.08577	18.1
109.06512	6.2
109.10149	8.8
111.08090	3.6
115.05410	2.5
117.07025	9.7
119.08587	22.3
121.10150	7.0
123.08052	5.1
123.11737	3.0
129.06998	7.7
131.08588	6.5
133.08607	5.5
133.10120	9.3
135.08046	4.1
135.11662	4.2
143.08592	3.2
145.10141	9.2
147.08159	2.7
147.11705	17.2
149.09525	3.5
161.09634	4.8
161.13242	8.5
163.11160	2.9
171.11752	14.2
177.12784	2.4
184.07361	12.4
189.12740	3.1
193.12138	3.4
207.13774	19.5
229.08017	2.6
275.20108	15.9
281.17493	47.4
289.18140	5.8
313.27359	44.6
519.40424	100.0
520.40674	4.1
575.49896	5.6
601.15509	3.1
717.46887	3.9
725.79828	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	716.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01872	5.6
55.05515	16.8
57.03442	10.8
57.07079	5.0
59.04993	2.1
60.08168	1.0
61.02932	3.8
65.03941	0.6
67.05135	1.0
67.05505	19.7
69.03413	1.5
69.07069	16.5
69.64824	2.8
71.01345	0.6
71.05012	2.5
71.08617	2.3
72.13470	0.5
73.02904	1.4
79.05493	15.8
79.94385	0.4
81.03419	6.3
81.07056	21.9
83.01347	5.9
83.04974	6.8
83.08618	16.3
85.02908	5.9
85.06538	1.4
85.10168	0.6
86.09709	4.2
89.06007	0.7
91.03961	1.6
91.05476	8.2
93.07048	21.8
95.04973	3.9
95.08611	13.6
97.02905	2.6
97.06522	3.7
97.10162	6.5
98.98452	0.8
99.04465	0.9
99.08086	0.7
100.11243	0.5
101.97504	0.5
105.07038	5.7
107.04944	4.5
107.08597	12.1
109.06525	4.6
109.10146	5.5
111.04437	1.4
111.08054	2.4
111.11716	1.5
117.07006	4.1
119.08574	4.2
121.06506	2.3
121.10143	11.2
123.04420	0.6
123.08072	4.4
123.11703	2.3
124.99991	2.6
125.05975	0.9
125.09634	2.3
130.07796	0.8
131.08595	1.9
133.10106	1.1
135.08051	0.9
135.11687	11.7
137.09630	1.1
137.13266	1.3
145.06503	0.8
145.10129	8.9
147.08018	0.7
149.09579	0.9
149.13257	2.0
153.12714	1.6
163.11182	13.8
163.14769	0.8
172.70534	0.5
173.09615	2.0
181.12222	2.1
184.07335	12.3
185.07639	1.1
189.11198	0.7
189.54129	0.6
191.10699	2.4
195.00304	0.6
209.11755	5.5
219.21115	1.0
227.12776	3.3
228.34601	0.5
237.22214	1.6
259.15393	1.2
283.15408	100.0
284.15683	2.1
311.25800	74.4
312.26163	1.8
335.25677	1.3
506.11032	0.5
519.36835	45.5
520.36945	2.5
544.37177	0.6
717.41779	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	714.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05519	5.5
56.05052	4.2
57.07064	2.2
58.06567	1.0
60.04519	2.8
65.03898	0.8
67.05505	10.2
68.05025	1.3
69.03425	0.7
69.06739	0.7
69.07070	7.2
69.89928	0.6
70.06577	1.7
71.08626	2.4
78.56110	0.6
79.05493	10.3
80.05026	4.5
81.05796	1.7
81.07055	10.1
82.06581	6.8
83.08614	4.8
85.02892	2.0
85.10178	0.9
91.05489	8.3
91.06027	1.1
93.07046	9.6
94.06572	16.7
95.04972	0.8
95.07361	7.3
95.08604	8.0
96.08131	5.1
97.02863	0.8
97.06534	0.9
97.10158	2.6
105.04447	0.6
105.07043	4.9
106.93697	0.6
107.08602	4.7
108.08113	2.3
108.39149	0.6
109.10139	3.7
110.09670	0.8
111.11702	0.7
119.08570	4.9
121.08904	0.9
121.10144	5.6
121.82309	0.6
122.09645	2.4
123.11745	1.0
133.10103	4.5
135.10580	0.7
135.11670	3.5
136.11247	1.0
147.11688	1.7
149.13254	1.2
181.82835	0.6
233.22644	2.9
234.22015	0.9
245.22676	4.9
250.25308	9.5
254.24783	0.9
262.25305	100.0
263.25668	2.6
264.26730	0.8
272.25821	5.9
280.26309	6.5
296.27078	0.7
301.72214	0.7
387.43954	0.6
504.47839	5.3
516.47772	27.8
517.47699	1.8
518.49359	6.2
534.48816	16.1
696.54004	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	714.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05518	6.4
57.03425	0.7
57.07084	19.3
65.03928	0.9
67.02583	0.7
67.05509	21.1
69.07073	6.0
70.14317	0.7
71.05003	0.8
71.08640	10.7
71.49173	1.3
73.59209	0.7
79.05502	17.7
79.83549	0.7
81.07065	20.6
83.08630	7.3
85.06499	1.4
85.10193	6.4
91.05486	9.8
93.06482	1.6
93.07053	21.7
95.04984	1.7
95.08618	17.7
97.10177	2.9
99.08049	0.7
105.07030	7.3
107.08612	9.4
109.10183	7.5
117.07030	3.4
119.08602	5.1
121.10157	4.9
123.11715	2.8
131.08595	5.1
133.10146	3.1
135.11713	4.3
145.10139	3.1
147.11693	2.5
149.13289	2.9
159.11725	2.1
161.13242	2.0
163.42247	0.8
173.13332	1.9
175.14867	1.6
184.07381	1.4
187.14917	1.2
239.23779	2.4
243.21152	2.3
261.22098	3.7
282.27997	3.2
299.23752	1.1
304.26392	4.6
313.27451	3.7
317.24802	10.3
335.25873	2.1
573.48822	100.0
574.48950	6.0
602.44507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71150	0.4
51.79552	0.4
53.03947	0.6
54.58397	0.4
55.01869	0.6
55.05507	1.5
57.03435	2.1
59.04965	0.4
59.56939	0.4
61.02929	4.0
67.05500	5.1
69.03435	3.2
69.07066	1.3
71.04996	4.1
73.02910	3.6
79.05492	2.6
81.03418	3.1
81.07050	6.3
83.04975	1.0
83.08627	1.0
85.02909	5.6
85.06560	0.7
89.28555	0.4
89.76102	0.4
91.03941	3.2
91.05489	4.5
91.95688	0.4
93.07045	3.7
95.04994	1.5
95.08620	1.3
97.02891	4.7
97.06577	1.1
98.21588	0.7
99.04453	1.0
101.02402	1.7
105.07042	2.6
107.04945	0.7
107.08614	1.7
109.02897	0.6
109.06538	0.7
109.10175	1.2
111.08085	0.5
115.04027	0.5
117.07021	0.6
119.08579	1.1
121.10144	1.1
123.08070	0.7
123.11746	1.3
127.03953	1.1
131.08560	1.3
133.06519	0.4
133.10101	1.9
135.11751	0.6
136.02551	0.5
137.05957	0.7
145.10173	0.5
147.11746	0.9
149.13295	0.8
151.11227	1.1
157.10161	0.9
159.11722	0.9
183.13718	0.5
185.04254	0.6
187.13269	0.6
193.12366	1.4
195.13953	0.5
243.08308	2.8
251.12589	0.6
257.17532	0.7
267.15796	1.2
283.15201	0.7
285.17038	0.5
441.21060	0.5
453.20944	2.0
469.20483	4.6
485.23636	7.2
501.23322	1.5
641.31012	1.2
667.33551	0.5
713.37250	100.0
714.37518	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	713.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05504	1.8
57.03435	3.1
59.05005	0.6
61.02921	4.1
67.05495	2.2
69.03439	2.9
69.07049	1.2
69.75099	0.5
70.04701	2.3
71.04993	0.6
73.02922	3.5
77.49963	0.5
79.05507	3.5
81.03427	4.4
81.07061	2.2
83.01064	0.8
83.04991	0.8
83.08625	1.4
85.02898	5.7
91.03959	3.6
91.05486	1.9
93.07049	1.3
95.01108	0.9
95.04959	1.7
95.08614	1.1
97.02895	5.5
99.04466	0.7
101.02387	1.3
103.03925	0.7
105.07041	1.1
107.04987	0.6
107.08609	1.0
109.10175	1.1
111.08089	0.7
117.05507	0.5
119.08567	1.1
121.10175	1.1
122.03600	1.1
123.04259	1.0
125.00027	0.6
125.09653	0.7
127.03921	2.3
129.05496	2.3
129.07019	0.8
131.08522	1.1
133.10161	0.6
135.11688	0.7
137.05975	7.7
139.03688	0.9
145.04935	0.8
145.10110	0.6
147.11711	0.7
151.03874	1.1
156.03931	0.8
157.04787	0.7
163.11185	0.7
170.36394	0.5
181.04794	1.8
184.03511	0.9
184.07344	3.2
185.04185	6.4
193.12273	2.5
199.05707	0.6
199.13354	0.8
201.03734	2.6
201.14857	0.6
203.05359	0.8
206.12735	0.5
211.13332	1.5
223.09584	0.6
227.05322	0.5
241.06866	1.2
243.08412	5.1
251.12505	3.8
265.14413	0.6
277.14191	2.3
291.10654	0.6
291.15790	1.6
301.08926	19.5
307.15054	0.8
315.10565	4.9
321.17120	0.6
327.10638	1.5
329.12421	1.0
341.12186	1.9
343.13571	1.1
349.16122	4.2
355.13803	1.1
357.15399	1.1
363.17761	1.0
367.17316	1.8
369.15225	1.4
371.16919	1.4
373.10980	6.2
383.16739	4.0
385.18411	9.7
387.12750	1.7
395.16769	3.8
401.14172	0.7
413.18021	1.3
423.19818	0.8
429.17593	2.1
433.25381	3.4
439.19537	2.0
441.21167	1.1
443.18851	5.6
444.20078	0.7
457.20651	1.2
467.19006	1.0
469.20499	18.8
470.21582	0.9
479.26239	1.2
483.22177	1.6
484.19455	0.9
485.19608	5.9
489.28690	0.5
499.21179	3.9
511.21896	1.6
513.23279	0.7
527.28406	1.6
528.21710	8.0
541.22467	10.4
555.24615	2.1
569.25232	3.5
583.31451	2.8
611.30457	6.2
612.31079	4.9
625.32391	1.5
651.33331	1.9
653.31268	1.9
667.33295	1.6
668.33264	0.8
695.32764	3.4
696.33020	1.5
713.33636	100.0
714.33820	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	713.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
52.75756	0.6
53.03950	3.4
55.01862	1.8
56.24897	0.6
57.03430	0.6
60.09434	0.5
61.02937	0.7
65.03941	0.8
67.05499	3.7
68.45609	0.7
69.03431	9.0
69.52993	3.6
71.01337	2.1
71.05000	1.2
73.02928	0.8
79.05495	8.0
81.03416	5.6
81.07045	2.0
83.04967	0.8
83.59841	0.6
85.02907	3.7
90.28548	0.6
91.05474	3.6
93.01989	0.7
93.07045	4.4
95.04968	48.6
97.02896	12.9
97.06541	1.1
98.21547	1.2
99.04483	1.0
103.05473	6.3
105.03380	1.4
105.04504	1.5
105.07039	1.3
106.59378	0.6
107.04955	53.1
108.05295	0.6
109.02881	39.2
109.06511	3.0
119.04975	0.6
121.06505	12.0
123.04436	13.4
125.02353	51.3
125.05996	4.4
127.03922	6.0
131.04922	5.7
133.02885	1.0
135.04427	5.3
145.04968	2.2
147.04404	1.0
149.05981	21.5
151.03903	100.0
152.04237	1.7
153.05486	9.4
159.04427	6.3
159.05672	0.9
167.06984	0.9
175.03906	1.7
176.69067	0.6
177.05473	44.7
184.80640	0.6
189.07568	1.4
195.06529	66.9
196.06862	1.0
201.05370	0.6
213.07603	6.5
251.09259	0.5
269.06577	0.8
277.07199	0.7
287.68121	0.5
295.08188	3.8
303.08432	1.3
321.09634	3.3
339.10791	10.1
357.11816	8.0
489.13937	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	712.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
53.07312	0.5
55.01862	0.5
55.05516	8.3
57.03426	1.1
57.06800	1.1
57.07078	22.3
62.06101	0.5
64.21929	0.4
65.03928	1.2
67.05508	21.1
69.06742	0.8
69.07077	9.5
69.07445	0.4
70.10266	1.3
71.04983	0.7
71.08633	15.4
72.22337	0.4
79.05497	13.7
80.05802	0.5
81.07061	20.1
81.07538	1.1
83.04967	0.6
83.08624	7.7
84.04476	0.4
85.06525	0.8
85.10191	8.0
86.09685	0.7
91.05483	23.9
93.07048	13.1
95.04979	1.8
95.08610	20.7
97.06532	0.5
97.10166	3.3
98.06036	1.0
98.98463	1.5
99.08076	0.7
103.05461	1.1
105.04522	0.7
105.07036	25.8
106.07311	0.6
107.08601	6.8
109.06557	0.9
109.10167	7.5
110.09801	0.5
111.11739	0.6
115.05463	1.2
117.07018	8.2
119.08588	17.3
121.10156	3.7
123.08049	0.5
123.11713	2.0
124.01634	0.6
124.99998	0.6
128.06215	1.6
129.07007	4.4
130.07845	0.8
131.08571	10.7
133.09245	0.5
133.10143	12.5
135.11739	2.1
137.13286	0.7
139.11226	0.4
141.06911	0.4
142.07704	0.6
143.08557	3.7
144.09378	0.6
145.09061	0.9
145.10127	8.6
147.11699	6.3
149.09720	0.5
149.13286	0.5
150.72299	0.4
155.08549	0.8
157.10141	2.9
158.10814	0.6
159.11700	7.2
161.09612	0.5
161.13240	2.7
163.11180	0.7
163.14793	0.7
171.11681	2.8
173.13275	4.0
175.14931	0.8
177.12758	0.4
183.11690	0.8
184.07401	1.8
185.13286	2.3
187.14818	1.2
199.14830	1.6
213.16460	0.6
231.21086	0.6
239.23647	2.7
241.19585	1.7
246.41042	0.5
259.20605	6.0
282.27972	2.9
297.22159	1.6
302.24829	3.5
313.27341	7.0
315.23209	19.8
333.24280	1.8
341.63882	0.5
374.56699	0.5
436.28259	0.9
571.47235	100.0
572.47620	4.7
614.48663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01871	3.2
55.05516	17.1
57.03443	20.4
57.07067	4.0
61.02925	3.4
65.03931	2.0
67.05505	63.5
68.13390	1.2
69.06733	1.7
69.07069	18.8
69.90089	6.5
71.01356	3.3
71.04981	5.5
71.08632	1.7
73.02918	1.7
79.05494	54.4
81.03407	5.1
81.06595	2.4
81.07059	41.2
83.05003	8.3
83.05404	1.4
83.08615	5.6
85.02917	2.1
85.06542	4.1
86.09671	1.3
91.05484	26.8
93.07049	61.1
95.04970	5.4
95.08061	2.1
95.08613	25.0
97.02895	2.1
97.06541	12.5
97.10151	10.9
99.04472	1.4
105.07032	13.2
107.08596	39.8
109.06504	2.6
109.10154	12.9
111.08045	2.3
117.07029	5.2
119.08590	9.5
121.10159	17.4
123.11717	3.1
125.09600	2.9
129.06975	1.6
131.08592	6.4
133.10139	8.0
135.11696	51.9
145.10129	11.1
147.11708	4.0
149.13263	5.2
153.12740	2.2
159.11705	4.8
161.13255	2.9
163.11176	5.4
163.14815	2.1
171.11693	2.2
173.13254	4.0
181.12215	12.3
184.07326	1.8
199.13268	3.3
243.21146	2.1
253.14326	2.6
255.15919	100.0
256.12988	1.4
256.16315	2.9
261.22192	12.8
317.24866	1.5
335.25806	48.9
423.32669	2.7
439.33447	1.4
467.37134	1.5
515.37366	68.7
516.37646	2.9
533.38293	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	711.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
54.39254	0.6
55.01867	0.7
55.05505	1.1
57.03444	1.4
61.02935	4.4
66.14216	0.5
67.05502	5.0
69.03431	2.9
69.07097	1.2
70.67526	1.2
70.67860	0.7
71.01365	0.7
71.04980	3.7
73.02919	2.8
77.13287	0.5
81.03407	3.1
81.07056	5.6
83.04994	1.1
83.08613	1.4
85.02895	4.7
85.06526	0.7
91.03953	2.6
91.05471	3.7
93.07036	4.1
95.04967	1.2
95.08603	1.6
97.02898	4.4
97.06568	0.6
99.04459	1.1
101.02386	1.7
105.07043	1.7
107.04955	0.7
107.08612	2.3
109.02856	0.7
109.06570	0.9
109.10194	1.0
111.04522	0.6
111.08060	0.6
117.07016	0.8
119.08559	1.0
121.10162	1.3
123.08123	0.9
123.11737	1.1
127.03922	2.2
129.05504	0.6
131.08551	1.1
133.10143	1.7
135.11667	1.2
137.67761	0.5
145.10115	1.3
151.11211	1.2
159.11716	0.7
161.08708	0.5
163.11220	1.8
173.09621	0.6
197.25314	0.5
202.02498	0.5
209.11829	0.6
228.07777	0.5
243.08418	2.4
275.34906	0.6
283.15402	1.0
391.32477	0.6
453.21063	0.9
467.18863	7.6
485.23605	4.0
499.21988	0.7
711.35602	100.0
712.35925	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	711.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07288	1.0
53.03962	1.0
55.01872	2.3
55.05501	4.2
57.03432	4.1
61.02936	5.1
67.05512	8.8
69.03429	3.3
69.07063	2.0
69.95706	3.3
70.38166	0.9
73.02916	2.4
79.97052	1.1
81.03417	3.8
81.07066	7.1
82.07382	1.1
83.01079	1.5
83.04985	2.0
83.08630	2.1
85.02912	7.5
91.03968	3.5
91.05493	3.7
93.07043	4.1
95.05009	1.8
95.08594	2.0
96.01896	1.1
97.02895	5.3
97.06507	1.4
99.04475	1.1
99.73763	1.1
101.02358	1.6
105.07029	3.6
107.04958	1.5
107.08619	4.0
109.10172	2.6
119.08607	2.6
127.03920	2.8
129.05489	3.6
133.10152	1.2
135.11664	2.0
145.10112	1.5
146.14270	1.1
163.11185	2.4
181.04730	1.2
184.07317	6.5
185.04240	5.7
185.07689	1.4
189.26112	0.9
191.25446	0.9
199.05838	1.1
201.03757	2.4
227.12790	1.0
241.07021	1.2
243.08449	6.6
249.10979	2.3
251.07074	1.1
269.17575	1.3
283.15155	1.3
301.08969	17.5
313.08899	1.5
315.10583	4.0
317.08591	1.0
319.15082	1.2
327.10492	2.5
329.11957	1.6
341.12057	2.2
347.14725	2.5
351.38751	1.1
355.13660	1.9
357.15460	1.7
365.15567	3.5
369.15381	2.2
371.17102	1.4
373.11053	9.3
383.16748	1.9
385.18356	9.9
424.27805	1.9
427.12173	1.2
429.17136	4.5
431.24176	2.0
439.19238	1.8
449.24817	1.4
455.19135	1.8
457.20694	3.3
467.18921	14.8
469.20758	1.3
470.21344	1.5
485.20029	2.8
497.19937	6.3
498.20810	2.8
511.21609	1.7
513.26544	1.6
539.20612	6.2
553.23041	1.9
567.24396	2.5
581.29492	13.7
582.30920	1.7
609.29431	5.7
610.29718	1.4
637.31848	1.8
639.30353	1.6
665.31531	1.7
666.31348	1.4
693.31226	3.3
694.31635	1.9
711.31989	100.0
712.32465	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80881	1.7
55.01881	2.4
55.05513	14.8
57.03440	14.2
61.02912	1.7
66.08795	1.8
67.05504	25.7
69.03420	6.8
69.07064	5.3
70.08538	8.1
71.04984	4.0
79.05497	25.8
81.03421	86.3
81.07057	22.7
83.04987	12.1
83.08627	22.7
85.02894	12.7
85.06557	2.1
86.09703	6.4
91.05486	30.3
92.19479	1.6
93.07046	17.4
95.04970	31.4
95.08606	12.2
97.02883	5.8
97.06512	4.2
97.10189	6.1
99.08119	2.2
105.04430	2.1
105.07037	21.3
107.04961	10.7
107.08579	8.3
109.06509	6.3
109.10131	3.6
111.04430	4.6
111.08084	8.5
113.06029	2.6
117.07043	4.1
119.08587	20.9
121.06509	3.4
121.10183	9.8
121.93214	2.0
123.08024	3.1
125.00007	5.6
125.09608	3.8
128.13525	1.8
129.07016	13.7
131.04962	3.0
131.08577	12.5
133.06461	5.2
133.10167	8.4
135.08043	2.1
137.05960	5.1
137.09657	2.8
141.07031	2.2
142.07771	2.8
143.08514	2.7
143.66235	1.7
144.08107	2.4
145.06476	3.1
145.10092	5.3
147.08026	4.9
147.11688	13.0
149.09634	7.7
157.10175	15.2
163.03999	2.3
163.11156	2.7
167.07095	2.9
175.11162	15.3
184.07361	28.2
189.11266	2.0
193.08618	7.1
193.12268	34.9
211.13303	15.4
229.14291	2.2
231.13737	2.0
249.14938	3.3
255.13945	2.0
267.15927	100.0
273.14841	4.0
285.16888	15.7
349.21890	3.4
367.22546	7.0
385.23843	11.7
388.27060	2.0
403.24902	3.4
433.20529	2.0
433.25745	9.3
441.26208	7.1
459.27432	62.7
477.28442	42.4
519.29614	2.0
533.64526	2.5
640.80017	2.4
710.34033	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01873	3.0
55.05516	12.2
57.03436	12.5
57.85028	1.3
60.08152	1.0
65.03918	1.7
67.05505	19.3
69.03439	4.3
69.07064	5.1
70.06581	1.2
71.04986	2.8
71.50063	1.3
73.50375	1.0
74.27712	1.1
76.02218	1.8
79.05499	19.3
81.03423	79.8
81.07056	21.3
83.04977	10.0
83.08627	23.7
85.02911	11.8
86.09727	5.2
91.05485	25.3
93.07052	14.7
95.04971	29.2
95.08619	8.9
97.02882	4.0
97.06529	3.1
97.10168	6.5
105.07029	20.5
107.04951	7.9
107.08585	7.6
109.05820	1.3
109.06511	7.0
109.10135	3.2
111.04456	2.0
111.08086	7.4
117.07022	3.1
119.04920	1.5
119.08580	14.3
121.06508	4.1
121.10146	8.3
123.04478	1.1
123.08099	2.3
123.11697	1.7
125.00010	3.5
125.09631	2.7
129.07011	13.4
131.05008	1.0
131.08578	13.4
133.06497	5.5
133.10150	7.5
135.08041	2.2
135.11745	1.2
137.09688	1.6
142.07758	4.1
143.08539	2.1
145.06508	4.7
145.10181	2.0
147.08022	4.1
147.11707	8.7
149.09653	5.7
155.08530	1.3
157.10138	12.4
163.03920	1.8
163.11183	1.2
165.09129	2.2
165.12787	2.0
169.10033	1.2
171.08075	1.2
175.11208	11.7
184.07364	15.9
185.13206	1.2
193.08583	10.6
193.12247	30.6
205.12369	1.4
211.13297	19.1
249.14934	2.3
255.13850	1.6
267.15927	100.0
273.14993	4.5
285.16931	14.8
308.09125	2.1
327.16101	1.3
341.21136	3.2
349.21527	2.8
367.22739	9.7
385.23764	9.4
403.24722	3.9
433.25839	16.8
441.26230	5.2
459.27441	64.4
477.28494	44.1
477.33691	1.0
495.29489	2.2
553.11292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59369	0.2
55.05519	0.4
56.05038	0.7
57.03438	0.4
58.06627	0.5
60.08168	6.4
62.29642	0.2
67.05495	1.0
69.03438	0.3
69.07072	0.3
70.41627	0.5
71.05014	0.3
71.07375	3.2
79.05497	1.2
81.03410	2.0
81.07059	1.0
83.04977	0.6
83.08631	0.5
85.02921	0.4
86.09711	31.6
91.05496	1.5
93.07051	1.0
95.04998	1.0
95.08611	0.4
97.02905	0.3
97.06547	0.3
98.20817	0.2
98.98472	3.7
104.10754	2.5
105.07024	0.9
107.04950	0.3
107.08598	0.4
109.06526	0.3
109.10178	0.2
111.04440	0.2
111.08107	0.5
119.04993	0.2
119.08587	0.9
121.10161	0.2
125.00012	21.0
129.06963	0.3
131.04939	0.3
131.08574	0.7
133.10127	0.8
135.08052	0.2
145.10124	0.3
147.08023	0.2
147.11685	0.6
149.09604	0.3
157.10141	0.5
157.24086	0.2
175.11243	0.4
184.07349	100.0
185.07683	0.7
193.12271	1.0
211.13283	0.7
267.15955	1.8
285.16956	1.2
450.22443	0.2
459.27499	0.9
477.28394	1.2
495.29630	1.0
660.35071	9.9
661.34967	0.6
706.67914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01887	1.1
55.05500	2.6
63.02399	1.1
65.03949	5.4
67.05503	8.6
67.52993	0.7
68.99784	1.0
69.03434	6.2
70.09693	0.7
70.74011	1.5
72.35023	0.7
79.05493	1.5
83.04986	29.3
85.02911	9.3
87.04462	1.0
89.03917	7.0
92.43893	0.7
93.03415	15.0
95.04967	2.7
99.00815	3.7
107.04955	2.7
109.22202	0.7
111.04447	38.2
116.41381	0.7
117.01875	1.6
117.03386	8.6
121.02861	7.6
122.27028	0.7
123.04428	3.4
125.18007	0.8
129.05487	18.4
135.04417	18.0
137.02325	0.9
139.03902	27.2
142.45599	0.8
143.29086	0.7
145.02843	10.8
147.04431	1.2
157.04968	23.4
163.03912	100.0
164.04228	1.0
175.06032	16.6
177.07167	0.9
181.06439	2.3
195.08104	1.6
199.07574	1.3
203.03386	1.9
205.06500	6.4
223.07565	5.5
233.06018	8.0
245.07939	0.9
251.07068	14.9
252.07454	1.0
261.05466	3.4
269.08078	11.3
273.06027	10.0
279.06512	26.0
283.06076	2.2
289.04962	1.4
295.06076	1.8
296.06491	1.3
297.07581	23.1
298.07907	0.8
307.05972	8.5
312.76932	0.9
319.08185	0.8
325.07068	19.0
337.08865	1.1
343.08203	3.1
366.18549	0.8
447.11591	4.8
499.12323	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	708.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
53.07332	0.2
55.05512	0.4
56.05033	0.8
57.03449	0.2
57.07074	0.3
58.06359	0.3
58.06626	0.5
60.08166	5.9
67.05516	1.1
69.07069	0.5
69.27914	1.7
71.04986	0.2
71.07373	3.3
71.08633	0.3
79.05498	0.8
81.03418	0.7
81.07063	1.0
83.04996	0.3
83.08640	0.2
85.10226	0.2
86.09708	29.8
87.04451	0.2
89.25101	0.2
91.05467	0.8
92.80030	0.2
93.07045	0.9
95.04938	0.3
95.08611	0.4
98.98467	3.4
104.10732	1.9
105.07019	0.4
107.08636	0.6
109.10143	0.6
110.68602	0.2
119.08626	0.4
121.10123	0.3
125.00008	20.0
131.08586	0.3
133.10028	0.2
135.11702	0.3
138.81097	0.2
143.08629	0.2
145.10130	0.2
145.93460	0.2
171.35768	0.2
184.07344	100.0
185.07664	0.5
189.16380	0.2
229.14345	0.2
235.08125	0.2
236.92087	0.2
275.73865	0.2
313.27234	0.3
315.10400	0.2
467.37393	0.5
519.36749	0.4
530.40240	0.2
630.29083	0.2
676.44843	0.6
708.47980	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	708.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01873	1.2
55.05514	7.5
57.03440	9.6
57.07073	1.6
60.12292	0.9
61.02943	1.4
61.62904	0.9
67.05505	27.9
69.03423	1.9
69.07071	9.2
69.81373	2.8
69.81792	2.0
71.04984	4.1
79.05495	17.3
81.03421	46.1
81.07057	35.9
83.04973	4.1
83.08616	15.5
85.02901	1.5
85.06544	2.6
85.19561	0.9
91.05479	15.2
93.06490	1.7
93.07046	27.3
95.04966	15.0
95.08612	8.5
97.02909	1.7
97.06526	6.4
97.10164	1.8
99.08077	1.4
105.07028	9.1
107.04939	2.9
107.08604	15.9
109.06508	2.6
109.10151	3.3
111.08105	6.6
111.11694	0.9
117.07016	4.4
119.08613	6.5
121.06496	2.8
121.10151	9.0
122.73844	1.1
123.08096	1.1
123.11683	1.5
125.09612	1.5
129.06998	5.4
131.08580	8.2
133.06450	2.4
133.10132	6.8
135.11681	3.9
139.11214	1.1
145.10028	1.3
147.08044	1.6
147.11745	4.6
149.09628	1.9
149.13283	14.7
151.11205	1.2
157.10153	5.5
159.11693	4.2
175.11183	4.6
177.12703	2.6
185.15926	0.9
193.10620	1.5
193.12267	11.3
195.13802	5.8
211.13292	1.3
246.69551	1.0
249.14922	1.5
267.13040	2.4
267.15927	49.6
269.17487	53.5
315.77771	1.0
435.27472	4.5
443.27689	2.8
453.27325	1.4
461.29001	100.0
462.29276	4.7
479.29932	3.1
503.30072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69648	1.0
53.03944	2.5
55.01865	2.8
55.05270	1.9
55.05516	19.0
57.03441	11.8
59.05003	2.4
61.02917	3.6
65.03931	2.8
67.05512	59.3
69.03421	4.8
69.07069	10.0
69.68939	5.9
71.05003	25.5
73.02927	1.5
79.05499	31.7
80.47562	1.2
81.03427	42.6
81.07064	100.0
83.04997	13.6
83.08624	19.9
85.02916	20.0
85.06554	6.7
90.35313	1.2
91.05491	41.4
93.07058	29.9
95.04968	20.7
95.08615	14.0
95.53208	1.3
97.02896	4.3
97.06561	6.5
97.10165	5.1
98.20869	2.6
99.08095	3.3
105.07041	27.2
107.04957	9.1
107.08609	15.6
109.06525	6.4
109.10162	8.4
111.04417	1.6
111.08096	9.5
113.06030	1.9
115.05444	1.5
117.07034	5.0
119.08591	15.8
121.06532	2.3
121.10135	9.9
123.08089	2.8
123.11710	14.2
125.09649	1.8
129.07059	7.2
131.08577	12.8
133.10144	27.0
135.11708	4.1
142.07828	1.9
145.10115	2.8
147.08046	2.0
147.11710	13.3
149.09647	6.0
149.13297	7.5
151.11217	6.6
157.10146	11.0
159.11636	5.3
163.11121	2.2
163.84782	1.3
165.12740	3.1
175.11201	10.5
177.12730	2.0
183.13788	2.0
187.13313	3.5
193.12260	28.8
195.13817	4.9
201.14899	1.4
209.11697	1.2
211.13301	31.3
213.14917	1.8
225.14912	2.2
227.12784	1.5
243.16040	2.5
249.14873	1.5
250.33949	1.2
253.18036	2.7
257.17438	2.8
267.15927	27.2
269.17517	16.5
283.15427	1.8
285.16980	21.1
301.20148	19.5
343.22659	1.5
417.26428	2.5
435.27411	34.2
436.28024	2.1
443.27823	4.0
449.29056	1.7
453.28525	74.9
454.28580	2.6
456.68729	1.3
461.29044	65.9
462.29178	1.4
467.30115	12.9
479.30084	62.6
480.30225	2.2
493.31427	3.8
511.32816	48.7
632.22284	1.2
709.28223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01875	17.2
55.05511	29.5
57.03440	23.0
57.07061	2.7
59.05004	3.1
61.02919	9.0
67.05507	44.7
67.65320	2.5
69.03414	7.5
69.07068	8.4
69.53236	4.7
69.53634	12.0
71.01350	3.1
71.04989	5.5
73.02906	7.1
77.03903	2.4
77.98327	2.2
79.05499	39.3
81.03423	75.7
81.07068	45.0
82.04204	5.4
82.60081	2.1
83.04982	23.8
83.08627	31.2
85.02914	25.6
85.06549	4.3
91.05485	46.9
93.07059	27.2
95.04964	37.2
95.08625	17.3
97.02898	7.9
97.06523	7.7
97.10174	14.0
98.07320	5.9
99.08029	2.7
105.07030	24.6
107.04972	11.6
107.08580	16.9
109.06516	7.3
109.10178	11.7
110.64944	2.7
111.04462	5.5
111.08065	16.1
113.06006	2.1
116.04704	11.1
117.05434	2.5
117.07031	6.4
119.08592	26.7
121.06502	3.4
121.10150	11.0
123.08070	8.0
125.06085	2.0
125.09647	15.6
129.05495	27.8
129.07004	15.3
131.08577	18.2
133.06482	3.7
133.10156	16.5
135.08020	4.1
135.11655	4.6
137.09631	4.9
142.07831	2.6
143.07019	6.2
145.10083	5.5
147.08063	8.2
147.11674	18.6
149.09602	7.8
153.12799	5.6
155.10709	2.5
157.08600	11.0
157.10114	14.5
158.05762	2.5
163.11186	8.4
165.12737	2.6
171.10190	3.7
173.11856	3.6
175.11189	18.7
177.82437	2.5
181.12227	3.0
189.11241	4.0
193.12254	74.4
199.13275	19.6
209.11748	6.9
210.12515	3.2
211.13315	100.0
227.12798	10.0
247.13338	4.2
255.15926	3.5
258.35254	2.5
267.15942	31.8
279.08420	2.3
283.15292	12.1
285.16977	62.2
301.16455	66.7
427.26801	5.2
439.26929	13.0
459.27200	3.3
475.27057	2.8
476.27756	3.3
477.28674	5.5
493.27899	16.3
494.28580	8.2
511.29144	64.8
521.55646	2.6
733.14929	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
53.03954	10.9
53.72442	1.7
55.01864	7.0
55.05520	28.6
57.03446	13.8
57.07060	4.0
59.04993	3.1
61.02934	2.9
63.39271	1.6
65.03935	6.5
66.91816	1.7
67.05511	100.0
69.03428	12.4
69.07074	23.8
69.45115	12.0
71.04998	22.3
72.82544	1.6
73.02919	2.3
79.05500	69.6
81.02995	2.7
81.03429	32.2
81.07063	72.1
83.04984	13.7
83.08614	10.6
85.02902	6.7
85.06543	4.9
91.04916	2.5
91.05489	72.8
93.07050	76.7
95.04984	15.4
95.08613	47.1
95.09181	1.0
97.02922	8.8
97.06554	9.9
97.10157	8.0
99.04457	4.5
99.08094	4.2
103.05463	4.0
105.04523	2.6
105.07036	43.7
107.04955	5.1
107.08601	39.0
109.02876	6.1
109.06538	5.4
109.09480	3.1
109.10166	42.5
111.04488	3.2
111.08069	5.8
115.05458	5.1
117.07026	21.6
119.08596	41.5
121.06542	4.3
121.10155	27.4
123.04424	3.4
123.08070	5.9
123.11718	6.4
125.09627	3.4
127.03892	3.8
128.06207	4.2
129.05519	3.1
129.07022	16.2
131.08569	31.6
133.06488	3.9
133.10146	33.6
135.08028	3.5
135.11714	17.0
137.09644	7.3
141.07019	6.1
142.07791	2.4
143.08563	14.7
145.06490	5.4
145.10149	24.7
147.04419	4.3
147.08066	5.1
147.11714	18.4
149.09599	6.2
149.13280	8.2
151.11168	5.1
153.06952	4.4
153.12794	2.3
155.08565	7.1
155.10648	2.5
157.06519	5.3
157.10107	10.1
159.04475	2.8
159.08102	1.8
159.11674	20.5
161.05948	8.3
161.09647	5.3
161.13313	11.1
163.03906	11.2
163.07576	2.4
163.11203	5.5
163.14815	3.1
164.44177	1.7
165.07066	5.0
167.08588	5.4
168.09064	1.9
169.06477	4.0
169.10149	7.2
169.12315	1.8
171.08028	3.9
171.11658	9.7
173.02312	4.8
173.04466	10.6
173.05965	51.5
173.09624	3.3
173.11757	5.7
173.13269	12.4
175.03944	2.5
175.07558	4.2
175.11182	3.9
175.14835	6.6
177.12778	2.2
179.08478	3.9
179.10689	4.0
181.06514	6.3
181.10121	5.1
183.08018	2.3
183.11758	9.0
185.05959	6.5
185.09657	2.0
185.13210	8.8
187.03938	6.0
187.07576	7.1
187.11171	2.5
187.13249	2.3
187.14841	6.3
189.05530	5.2
193.10191	2.4
193.12274	3.7
195.08141	4.0
195.11731	2.5
197.05986	4.8
197.09676	4.2
197.11572	2.1
197.13290	7.6
199.03885	5.5
199.07541	14.7
199.14885	4.2
201.05489	23.6
201.09171	3.8
203.07019	2.5
205.10168	1.9
207.08076	2.4
207.11864	2.8
209.09534	2.2
209.13303	3.2
211.07497	6.0
211.13240	4.9
211.14986	3.4
213.05548	9.0
213.09125	5.2
213.16501	2.8
215.07037	4.5
217.04980	37.4
223.07498	2.9
223.14922	2.3
225.05482	2.5
225.09137	3.8
225.16435	2.5
227.07002	5.4
227.10579	2.2
229.04999	4.3
229.14319	5.0
237.09030	1.9
239.07036	3.7
239.10623	2.9
239.18036	2.8
241.08810	2.1
241.12170	4.4
241.19629	4.0
243.15889	4.6
249.12671	2.6
255.15932	2.6
257.19040	3.4
259.20557	13.5
261.22141	11.0
265.19641	2.1
267.13770	9.3
275.20010	3.1
277.21771	3.0
283.13248	5.0
285.14734	3.6
285.22104	2.0
289.21585	1.9
291.13632	2.2
301.21558	2.3
309.14996	3.1
311.12775	14.9
311.16220	3.3
313.14468	9.1
315.23413	2.9
317.24841	3.0
321.21909	1.9
325.21750	2.2
327.15891	5.0
329.10162	2.8
329.13901	34.9
329.17679	1.9
333.24246	6.0
335.25861	12.8
337.14291	6.6
355.15460	30.0
357.16861	2.7
367.22678	4.2
373.16495	4.9
385.16412	28.5
385.23932	3.2
395.29425	2.5
399.19904	2.0
401.19684	2.2
403.17297	4.6
421.30939	2.2
429.19153	30.2
430.19833	2.2
431.20694	2.7
447.20340	3.1
471.34888	3.5
487.34369	13.6
489.35886	36.6
490.35968	3.5
513.35822	26.8
519.36444	3.1
527.36469	2.8
529.35919	1.9
545.38202	9.5
553.33685	2.2
615.37006	4.7
633.37836	5.1
639.39069	2.7
653.40332	3.8
657.40192	3.6
661.41357	2.5
663.38660	7.0
671.40479	4.8
675.40607	7.4
679.41736	7.1
689.40881	20.8
707.41632	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.1
55.01856	10.1
55.05270	4.0
55.05514	44.7
55.43023	2.6
57.03441	17.1
57.30372	2.6
58.32484	2.7
61.02917	5.9
67.05508	90.8
69.03425	18.6
69.07066	20.3
69.54758	2.7
71.04980	10.3
73.43578	2.8
75.81500	2.9
79.05083	4.2
79.05498	72.1
81.03421	100.0
81.06599	4.5
81.07061	83.2
83.04978	46.8
83.08610	26.2
85.02914	22.9
91.05489	53.7
93.07045	65.3
95.04978	30.6
95.08607	62.7
97.02895	29.1
97.06522	8.4
97.10149	7.8
99.04444	6.9
101.83072	3.3
105.07034	49.4
107.04935	8.1
107.08598	38.1
109.02865	12.9
109.06535	6.2
109.09541	3.1
109.10174	25.8
111.04450	19.3
111.08069	12.1
117.07025	19.2
119.08582	37.3
121.06492	7.1
121.10154	25.6
123.04544	3.8
123.08105	5.2
123.11694	11.1
125.09603	5.0
127.03922	17.2
129.05492	16.2
129.06970	11.2
131.08571	28.5
133.06474	5.2
133.10135	26.6
135.08113	4.3
135.11742	16.3
141.06917	3.2
143.08569	5.8
145.05029	2.9
145.10133	20.7
147.04500	3.6
147.08040	6.6
147.11696	30.6
149.09598	11.7
149.13264	9.1
153.12677	7.2
157.10098	15.8
159.11662	10.6
161.13269	7.2
163.11168	12.9
165.12675	4.2
171.11723	4.0
173.13333	4.7
175.11168	12.4
181.12175	7.2
183.06618	3.5
185.13303	3.1
187.14835	5.4
191.10645	10.6
193.10649	2.4
193.12242	50.0
197.13304	3.6
199.14819	3.8
205.34166	2.9
209.11646	5.7
211.07571	5.0
211.13277	67.6
215.78329	3.3
227.12660	15.8
249.14931	3.1
259.20389	4.1
261.22137	13.7
265.05273	6.1
267.15875	8.9
282.06467	3.4
283.06366	20.5
283.15359	9.9
285.16904	19.7
301.07327	9.1
335.25806	43.7
337.27316	11.2
369.24338	8.4
429.20526	4.8
432.17307	3.4
468.95587	3.3
527.36810	10.6
545.38379	40.0
653.40649	3.4
671.40491	7.4
689.42346	26.1
707.42834	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.9
53.03950	10.5
55.01863	8.9
55.05514	36.7
57.03445	13.5
57.07068	3.8
61.02913	6.4
61.03225	1.4
65.03925	4.8
67.05507	77.4
68.05847	2.3
69.03093	1.6
69.03436	22.5
69.07071	19.1
70.99096	1.4
71.01337	1.7
71.04986	9.3
71.08624	2.3
71.49783	1.9
72.93784	2.0
73.02911	3.7
79.05495	63.4
81.03422	100.0
81.07060	78.5
82.07375	2.7
83.04500	2.8
83.04987	47.3
83.08625	20.4
85.02909	20.9
85.06532	4.9
91.03947	2.9
91.05486	51.6
93.06490	2.9
93.07048	57.6
94.07346	1.9
95.04967	23.7
95.08611	46.7
97.02904	20.0
97.06528	9.8
97.10149	8.2
99.04459	6.5
99.08086	3.6
101.02422	2.2
103.05441	2.4
105.07037	41.7
106.07352	2.4
107.04967	10.5
107.08599	29.4
109.02891	14.9
109.06554	8.7
109.07172	1.7
109.10159	24.6
111.04449	22.2
111.08094	13.1
115.05421	3.7
117.07030	13.8
119.04933	2.0
119.07722	1.8
119.08578	35.1
121.06526	4.6
121.10138	26.2
123.04395	3.2
123.08051	5.5
123.11715	9.2
125.09631	4.2
127.03920	9.9
128.06209	3.4
129.05493	10.6
129.06996	16.4
131.08569	24.0
133.06528	3.7
133.10126	20.8
135.08043	4.1
135.11700	15.3
137.05995	1.9
137.09610	3.4
137.13255	3.5
141.06955	3.0
142.07787	3.4
143.08549	9.0
145.06447	2.0
145.10115	16.6
147.04417	2.1
147.08044	4.9
147.11697	22.6
149.05951	2.5
149.09627	7.3
149.13269	7.8
150.83209	1.9
151.11189	1.9
153.12732	8.1
155.08539	3.0
157.06473	2.3
157.10144	14.2
159.04251	1.9
159.08009	2.4
159.11682	10.6
161.06078	2.4
161.09592	2.5
161.13272	5.3
163.03918	6.7
163.11206	13.5
163.14816	3.2
165.09351	1.7
165.12770	3.8
167.08586	3.6
169.10104	2.9
169.65968	1.9
171.08011	3.1
171.11646	3.2
173.05946	3.3
173.09572	2.9
173.11926	1.6
173.13203	8.1
175.11203	12.1
175.14810	1.9
175.67107	1.8
177.12828	2.6
177.16359	1.5
181.10152	2.2
181.12207	12.1
183.11670	4.2
184.07399	2.1
185.13205	4.7
187.03893	1.6
187.14893	2.4
189.05475	2.2
189.11240	2.7
191.10660	9.6
193.12256	31.9
195.11748	2.5
195.13812	1.9
197.13252	2.0
199.03943	4.4
201.05586	2.0
201.12791	1.9
207.11549	1.6
209.11676	5.1
211.07629	2.1
211.11400	1.8
211.13280	50.0
213.05418	2.6
219.13809	2.2
227.12730	14.3
229.14320	4.6
243.20990	1.8
249.14879	1.8
255.15665	1.7
259.20596	2.0
261.22211	10.7
267.16028	12.1
273.15067	1.6
275.20126	3.3
277.21542	2.1
283.06256	6.2
283.15421	9.0
285.16959	18.4
289.21671	2.0
291.23380	2.1
297.22189	1.6
301.07571	3.2
301.16577	2.1
301.21524	2.2
303.23288	1.9
311.12970	3.1
317.24808	4.0
323.23672	1.8
327.23129	2.8
333.14978	8.2
333.24280	2.6
335.25812	24.9
337.14084	3.1
337.27481	13.0
341.24557	3.4
345.24420	1.9
351.23206	2.9
355.15088	3.8
369.24292	4.6
387.25345	5.3
399.83020	1.7
405.26257	2.7
427.19360	2.7
429.20819	7.2
443.28064	3.0
461.28561	4.6
475.29883	2.1
479.29907	3.2
527.37488	10.3
545.38342	28.4
563.38501	1.9
653.40533	8.0
671.41144	5.4
679.41211	2.2
689.42206	18.5
690.41858	2.0
707.42224	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	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88729	2.1
53.03942	11.9
55.01863	9.6
55.05515	33.0
57.03447	15.6
57.07080	3.4
61.02946	2.3
65.03953	5.0
67.05516	79.6
69.03440	21.3
69.07087	21.2
70.73620	4.6
71.04997	9.4
73.02934	2.3
77.21500	2.0
79.05074	4.0
79.05499	51.9
81.03428	100.0
81.07063	70.6
83.04995	40.6
83.08629	24.5
85.02921	20.8
85.06527	5.4
86.09721	6.7
87.04483	2.7
91.05488	43.6
93.07054	53.1
95.04974	25.2
95.08611	47.3
97.02899	25.0
97.06532	6.7
97.10198	6.4
99.04466	7.4
105.07040	30.3
107.04993	7.4
107.08612	31.6
109.02909	12.3
109.06535	4.5
109.10179	18.5
111.04464	21.4
111.08099	15.1
113.06001	3.3
116.83442	2.8
117.07016	12.4
119.08590	30.9
121.06497	4.9
121.10177	25.1
122.08651	2.5
123.08102	4.6
123.11713	8.2
125.00024	4.4
125.09629	4.6
127.03941	10.3
129.05521	14.4
129.07050	11.0
131.08569	20.8
133.06508	3.4
133.10132	15.5
135.08099	2.7
135.11705	16.6
137.09636	3.9
137.13329	2.6
141.06978	3.1
143.08588	8.1
145.10110	13.1
147.08150	2.7
147.11713	24.6
149.09662	7.4
149.13200	3.5
153.12758	6.2
155.08583	4.7
157.06534	2.9
157.10178	16.0
159.11755	8.0
161.13271	3.9
163.03908	4.4
163.11203	9.6
163.14923	3.3
165.12769	5.6
169.10194	4.3
171.11723	5.7
173.09732	3.2
173.13312	6.4
175.11224	11.3
175.14890	4.7
181.12253	7.2
184.07368	16.6
185.13319	2.5
186.20650	2.4
187.14821	2.3
191.10699	9.3
193.12268	31.7
195.11795	3.2
201.16487	2.3
209.11761	3.8
211.13300	62.4
211.15277	3.5
227.12700	11.3
229.14296	6.0
243.21144	3.4
261.22104	12.1
267.15912	9.9
283.15521	8.3
283.20386	2.5
285.17047	15.1
315.23209	2.8
317.24911	3.8
335.25858	36.0
337.27438	10.0
353.15701	2.8
355.17435	3.9
369.24329	6.8
379.26318	2.3
390.73856	2.5
405.26517	2.3
411.19867	2.8
425.27335	2.8
429.21109	5.3
461.29074	3.1
479.29968	3.0
527.37195	8.9
545.38452	29.7
563.39703	3.4
653.40674	4.5
671.41290	3.4
689.42316	18.2
707.42957	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	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	19.6
53.97441	3.7
55.01871	9.2
55.05510	36.5
57.03437	19.9
57.07075	6.8
63.79206	3.0
65.03939	5.7
67.05511	83.1
69.03432	20.7
69.07072	21.9
69.44933	19.8
71.04994	9.3
72.05421	3.0
79.05495	61.3
81.03426	100.0
81.07056	84.9
81.07533	4.1
83.04985	47.3
83.08624	22.9
85.02917	15.7
85.06551	4.6
86.09695	10.6
86.10205	3.0
87.04494	19.3
91.05483	56.9
93.07045	58.5
95.04967	26.6
95.08607	53.8
97.02904	21.5
97.06529	12.6
97.10185	7.6
99.04445	7.9
105.06403	4.2
105.07048	46.1
105.44077	2.7
107.04963	8.6
107.08596	36.6
109.02867	10.5
109.06531	9.9
109.10160	24.0
111.04451	22.3
111.08103	17.7
115.05470	3.2
117.07034	15.1
119.08585	35.1
121.06540	7.0
121.10145	29.0
123.08106	6.7
123.11700	6.2
124.99997	5.6
125.09653	8.4
127.03909	8.8
129.05489	10.3
129.07011	15.1
131.08568	31.1
133.06531	5.7
133.10121	27.1
135.11707	13.7
137.09621	3.6
139.40350	3.2
141.07071	4.1
142.07745	4.2
143.08540	7.3
145.10097	23.2
147.08049	5.9
147.11705	26.3
149.09645	10.4
149.13249	9.3
153.12729	8.3
153.84019	3.2
155.08511	4.5
157.10175	16.8
159.08083	4.0
159.11752	16.5
161.13309	8.6
163.03906	8.2
163.11215	11.8
165.12759	6.2
169.10144	4.3
173.13298	10.9
175.11186	13.8
181.12268	8.8
183.11749	4.6
184.07387	24.3
187.14864	3.7
191.10645	10.5
193.12251	39.3
199.14867	4.4
201.58777	3.5
209.11664	4.3
211.13287	59.4
227.12828	14.2
229.14351	5.7
259.23917	3.5
261.22125	10.4
267.15970	13.7
283.15430	11.4
285.17014	20.0
301.21704	3.6
317.24661	3.5
327.64450	3.2
329.10666	3.2
334.26218	3.0
335.25760	25.9
337.14456	4.9
337.27338	14.0
351.23438	3.7
369.24591	5.1
387.25369	6.9
427.19431	5.4
429.20953	6.1
435.32556	3.8
443.28079	4.7
461.29089	4.9
524.21594	3.2
527.37183	11.7
545.38208	26.4
577.56451	4.0
653.40442	8.0
671.41058	6.1
689.42328	24.4
707.43018	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	707.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47511	1.3
51.02382	2.2
53.03939	8.7
55.01868	9.3
55.05513	34.0
57.03450	7.3
57.07082	2.7
65.03935	6.3
67.05507	87.2
69.03424	5.6
69.07068	20.3
69.53959	5.1
69.54386	5.2
71.04990	5.4
77.03912	2.1
79.05493	82.7
81.03421	43.9
81.07058	74.3
83.04981	8.6
83.08621	13.8
85.02891	2.2
85.06568	2.3
89.03913	2.8
91.04905	3.3
91.05481	68.1
93.07048	87.3
95.04979	19.1
95.08608	47.2
97.02883	3.5
97.06544	8.1
97.10165	8.6
103.05470	6.5
105.04520	3.3
105.07030	44.7
105.07694	3.0
107.04956	6.8
107.08595	36.9
109.06528	6.4
109.10163	22.7
111.08055	5.4
115.05461	6.6
117.03401	3.2
117.07030	14.4
119.08587	38.3
121.06521	3.7
121.10147	40.3
123.04411	8.1
123.08070	4.1
123.11734	9.1
125.09644	2.1
128.06252	3.8
129.07004	12.3
131.04941	4.8
131.08565	23.4
133.02808	2.8
133.06529	3.4
133.10147	25.4
135.04448	7.3
135.08102	2.2
135.11684	19.2
137.06082	1.7
137.13284	2.5
139.11249	2.3
141.07027	4.7
142.07854	2.4
143.08611	4.9
145.02879	5.2
145.06511	6.6
145.10118	16.5
147.04420	7.8
147.08057	2.4
147.11690	19.1
149.05963	7.3
149.09631	15.0
149.13261	8.5
151.11143	3.6
153.07024	5.0
155.04924	2.0
155.08583	4.4
157.06541	6.4
157.10159	7.4
159.04416	14.8
159.08067	3.0
159.11734	9.1
161.02304	7.3
161.05983	13.5
161.13289	7.9
163.03888	36.8
163.07527	2.2
163.11147	3.4
163.14883	2.4
165.05476	4.4
165.06879	3.7
165.12773	5.3
167.08589	3.1
169.06511	3.4
169.10144	3.1
171.08057	3.7
171.11784	3.8
173.02379	20.2
173.05977	52.3
173.13281	5.9
175.03909	2.7
175.07564	6.0
175.11237	5.8
175.14906	3.3
177.05513	2.6
179.08589	1.9
181.06485	7.8
183.08060	4.4
185.06007	7.4
185.09576	2.2
187.03915	23.9
187.07538	13.9
187.14934	4.1
189.05470	9.7
189.09241	3.0
191.10616	1.7
193.06497	2.9
193.10591	1.8
193.12248	10.3
195.08112	5.5
197.05942	8.3
198.06787	2.7
199.03896	11.6
199.07587	13.4
199.14806	1.9
201.05492	25.0
201.08963	3.2
203.03296	2.4
203.07042	3.5
205.05193	1.7
207.08035	2.1
209.09668	4.6
211.07568	13.5
211.11195	1.8
211.13347	5.5
213.05482	26.9
213.09145	6.4
213.12666	1.8
215.07069	6.3
217.04990	39.2
219.44086	1.5
221.09628	3.6
221.13354	2.1
223.07571	4.4
223.11197	2.5
225.05536	3.0
225.09132	7.3
227.07106	7.8
227.10605	2.8
229.05019	6.0
229.08711	2.4
231.06552	3.1
237.09166	3.6
239.07094	5.2
239.10681	2.8
241.04955	1.9
241.08582	1.9
241.12122	2.1
241.19652	2.7
243.06606	1.7
243.13832	2.6
243.21091	2.2
247.11229	2.9
249.09344	2.0
249.12724	3.2
251.10733	2.6
253.12392	1.8
259.20480	8.3
261.22168	10.0
263.10809	2.0
265.12231	4.8
267.13776	26.5
267.16025	2.3
275.20163	2.0
277.12402	3.1
277.21741	6.3
283.13211	7.7
285.14856	6.9
287.19962	1.8
289.21609	1.8
293.11908	8.0
293.15018	1.8
295.13641	3.0
305.15393	1.9
309.14926	6.3
311.12842	23.9
311.16504	10.4
313.14273	10.2
315.23309	2.0
317.24854	3.4
327.15958	11.4
329.13852	29.9
329.17307	1.9
333.24252	3.5
335.25748	21.5
337.14343	14.6
341.17532	2.5
355.15411	59.3
357.16989	11.8
373.16464	8.4
385.16425	32.2
385.21207	2.3
403.17603	2.9
411.17981	2.3
413.19299	3.0
429.19061	51.7
429.24707	2.8
431.20776	5.1
447.20294	6.1
505.35254	2.1
543.35767	2.0
545.38513	2.4
549.32947	1.9
579.34753	1.8
583.75073	1.6
587.37372	5.2
597.36041	5.6
605.38531	3.7
609.45667	1.6
615.36896	17.6
623.39453	2.6
633.37817	13.7
635.39148	2.3
643.40588	2.1
645.38153	3.5
661.41248	6.9
663.39093	4.6
671.39520	6.2
679.41962	17.7
689.40546	44.7
707.41522	100.0
708.41443	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.3
53.03940	9.9
55.01875	10.9
55.05516	32.9
57.03428	9.9
57.07075	2.9
59.31630	2.1
60.08181	2.2
65.03950	5.3
67.05506	88.9
68.59923	2.1
69.03433	8.3
69.07072	23.4
69.38694	4.8
69.39109	12.4
71.04990	5.0
73.59508	2.2
77.03914	2.5
79.05495	83.6
81.03423	58.3
81.03796	1.2
81.07059	81.8
83.05004	11.1
83.08615	19.9
83.99654	2.1
85.02875	3.2
85.06544	3.4
86.09707	10.7
89.03924	4.9
91.05489	65.5
92.05801	2.4
93.07048	87.7
95.04971	23.2
95.08612	46.5
97.02905	3.9
97.06541	6.8
97.10160	9.0
98.98472	3.9
99.08116	2.3
103.05458	3.5
105.04526	5.1
105.07037	51.6
107.04980	5.8
107.08589	38.7
109.06525	5.3
109.10163	24.6
110.13384	2.7
110.58092	2.2
111.04501	3.0
111.08098	6.1
115.05471	8.8
116.06305	2.2
117.03416	3.3
117.07027	15.2
119.08592	38.5
121.06511	4.7
121.10144	38.8
123.04402	10.8
123.08067	2.9
123.11736	8.7
125.00050	3.8
127.03937	2.4
128.06235	3.8
129.06993	17.6
131.04904	4.8
131.08577	29.0
133.02876	5.2
133.06528	4.2
133.10139	24.6
135.04443	6.7
135.08075	3.0
135.11711	15.9
137.09616	2.9
137.13217	2.3
141.06995	6.2
142.07735	2.1
143.04927	3.4
143.08490	5.0
145.02866	5.1
145.06490	4.7
145.10095	14.5
147.04417	6.4
147.08075	5.9
147.11703	20.4
149.06020	7.2
149.09659	15.4
149.13272	9.2
151.11229	3.5
153.07048	2.5
155.08614	3.1
157.06499	6.0
157.10159	9.9
159.04402	17.3
159.08084	4.5
159.11710	11.8
161.02354	10.2
161.06046	6.6
161.09686	2.6
161.13295	6.8
163.03906	43.8
163.07608	3.3
163.11241	2.1
165.05530	5.8
165.06995	3.1
165.12755	5.5
167.08577	4.4
169.06490	3.7
169.10165	2.2
171.08089	3.0
171.11792	5.1
173.02353	21.7
173.04713	3.3
173.05954	13.0
173.09650	4.1
173.13306	9.0
175.03951	5.7
175.07515	5.4
175.11221	9.4
175.14803	3.6
177.05441	2.8
179.14348	2.5
181.06473	4.6
183.08064	5.8
184.07321	27.7
185.06030	8.4
185.07614	3.3
185.13354	3.2
187.03885	24.3
187.07635	4.8
187.14848	3.9
189.05458	4.7
191.03517	2.5
193.12216	17.0
195.08029	5.5
197.05931	3.4
197.09546	4.3
199.03889	14.5
199.07578	6.1
201.05457	12.6
201.09195	2.4
203.03481	2.7
209.09776	4.8
211.07600	8.8
211.11517	2.5
211.13252	10.9
213.05487	24.6
213.09019	5.1
215.07043	3.6
220.08774	2.7
221.09601	3.5
223.07617	2.4
223.11299	2.5
225.05486	4.1
225.09109	4.7
227.07059	3.9
227.12654	3.2
229.04919	3.4
237.09058	4.0
237.12967	2.4
239.10768	4.0
241.08679	3.8
241.19547	2.5
243.21181	3.8
249.12799	3.1
253.12170	2.6
259.20612	8.4
261.22238	9.5
265.12430	4.8
267.13718	24.5
273.18430	2.7
275.19995	2.5
277.21744	9.0
283.13330	6.8
285.14972	2.6
293.11926	8.0
309.14966	3.1
311.12845	18.4
311.16504	8.3
315.23334	3.3
317.24857	3.9
327.16061	6.6
329.17502	3.4
333.24176	4.9
335.25903	24.2
337.14255	15.3
355.15393	47.5
357.17169	11.1
361.23953	3.2
373.16479	5.3
411.17984	2.7
423.25183	3.0
429.19110	43.4
431.20856	5.7
447.19632	2.8
494.61798	2.3
527.37988	2.6
545.38269	7.2
587.37665	6.6
597.35736	7.2
615.36768	19.8
623.39618	3.7
633.37659	25.3
651.38855	4.9
661.40900	5.7
665.40863	3.6
671.39380	4.5
679.42200	30.8
689.40436	63.5
707.41388	100.0
708.41595	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	707.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.05492	0.8
56.05020	0.4
62.01538	0.3
63.02367	0.3
65.03925	0.4
67.05506	0.6
68.05018	0.4
69.56686	1.2
69.57101	0.5
72.81377	0.3
79.05482	0.9
82.06575	0.5
83.04969	0.8
84.08155	0.5
85.02923	0.4
89.03896	1.2
91.05479	0.8
93.03383	0.4
93.07028	0.4
94.52107	0.2
95.04967	1.5
96.08111	0.6
103.05463	0.6
106.06612	0.4
107.02922	0.3
107.04926	0.8
107.64275	0.3
108.08136	1.8
109.02881	0.4
111.04433	1.2
115.05461	1.5
117.03392	2.0
117.05765	0.5
117.07024	6.3
117.07857	0.3
118.06490	0.3
120.08066	0.5
122.09641	0.5
123.04416	0.6
124.03970	1.8
127.05469	0.3
129.06947	0.5
130.06520	1.7
131.04965	0.3
133.06461	0.5
134.09663	0.5
135.04419	4.7
137.05972	0.4
139.03923	1.3
142.06561	0.4
143.07320	4.6
144.08089	100.0
145.02855	4.9
145.06474	0.7
145.08429	1.1
147.04466	0.3
153.05518	0.4
153.94215	0.3
155.06065	1.2
156.08078	1.8
158.09641	1.4
161.05984	0.6
162.09143	0.9
163.03909	38.0
164.04311	0.5
167.07098	1.0
168.08104	0.5
170.09636	1.6
178.08636	4.7
180.08073	0.8
181.04962	1.1
181.08749	0.5
182.09705	0.8
184.09956	0.3
185.10759	0.5
187.07576	0.4
197.05995	0.3
199.12294	0.8
206.09802	0.5
206.11836	0.3
208.09682	0.5
210.11226	2.8
218.09599	0.3
222.11148	1.9
225.13840	0.3
234.12912	0.4
251.15440	0.6
252.10370	0.4
266.11850	0.3
276.14011	0.3
278.11835	0.6
284.13034	0.4
293.16626	0.4
304.13443	0.4
321.16061	1.1
337.09180	14.2
353.18561	7.7
354.18613	0.4
367.22122	0.5
390.15799	0.4
445.21277	0.5
516.36774	0.3
518.19788	0.4
530.20032	0.4
533.22925	1.2
564.20667	0.4
661.27625	3.0
689.26898	1.7
707.28094	53.4
708.28522	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96095	0.4
51.85964	0.4
59.81685	0.4
69.20969	1.4
69.21384	2.5
70.99817	0.4
81.44073	0.4
82.99466	0.4
82.99821	2.0
94.99883	0.6
96.88337	0.4
97.02898	0.8
99.48012	0.4
101.00886	8.0
105.24714	0.4
110.01397	0.7
113.00874	2.1
119.00999	0.8
119.01921	7.8
122.01385	3.8
122.51451	0.9
127.02407	2.1
128.01416	2.5
129.00441	0.4
131.01918	8.3
131.51990	1.1
134.01418	0.7
137.01923	4.5
137.02898	0.9
137.51933	0.5
139.02397	0.8
143.01906	26.4
143.51964	1.0
144.01970	0.6
145.03482	5.4
147.01384	0.7
149.01985	2.0
152.02380	2.4
152.52530	0.6
153.03946	0.5
155.01892	12.1
157.03473	3.4
158.02438	1.3
161.01871	0.3
161.02960	11.8
164.02434	1.6
167.01880	11.0
169.03465	3.2
171.05037	1.6
173.02980	17.2
173.53020	1.4
174.02921	0.7
175.04552	0.8
179.01776	3.6
182.03470	0.7
185.02972	28.2
186.03113	0.7
187.04556	2.0
188.03554	0.7
194.03490	2.1
194.53561	0.5
197.02972	12.6
199.04512	0.7
203.04028	15.2
203.54160	2.0
204.03992	1.0
209.02844	1.9
212.04436	0.6
215.04025	6.7
221.05116	0.9
224.04527	2.4
224.54701	1.0
227.04041	9.3
239.03821	0.6
245.05092	100.0
246.05281	3.4
251.04010	0.4
254.05609	2.2
254.55763	1.0
257.05106	5.8
263.06149	11.3
275.06168	13.4
276.06454	0.5
284.06689	6.3
284.56799	1.9
285.06668	0.5
293.07169	2.6
305.07211	11.9
317.07004	1.1
335.08322	4.2
347.08411	1.3
365.09326	51.8
365.59415	1.6
366.09399	1.8
383.10468	1.9
407.10599	0.7
425.11441	36.0
426.11523	1.5
437.11551	2.7
455.12341	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	707.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47748	0.6
65.62696	0.5
69.03423	0.8
69.66171	3.0
70.51779	0.5
80.53958	0.4
83.04977	0.5
85.36218	0.4
87.05769	0.4
104.13558	0.5
111.04473	0.7
125.09524	0.5
160.05214	2.5
161.43414	0.6
163.03889	1.9
165.07005	1.1
181.06458	1.6
187.03883	0.9
193.06451	1.1
195.08040	0.7
197.06012	0.9
204.93672	0.6
205.06541	4.2
221.05991	27.5
222.06360	0.7
223.07573	8.7
233.06064	2.1
239.07143	1.7
249.05492	19.1
250.06065	0.8
251.07069	9.0
253.04965	0.8
267.06503	3.4
269.08084	6.3
271.06091	0.8
277.04910	3.9
281.04492	0.9
285.07614	4.0
295.06033	100.0
296.06400	2.4
297.07425	0.6
299.05505	1.2
313.07053	11.2
323.05527	6.9
341.06543	1.9
423.61984	0.5
469.11652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
56.68073	0.6
65.03931	1.2
67.05503	1.2
69.03423	0.9
69.43993	0.6
70.87944	1.3
77.28650	0.5
83.04975	2.5
85.02895	1.0
93.03405	1.6
95.04995	0.7
109.02855	0.6
111.04461	4.7
116.34980	0.6
135.04457	0.9
137.02332	2.5
139.03903	4.3
145.02792	0.9
147.04404	2.6
160.05153	0.8
160.89301	0.6
161.02367	0.8
163.03885	5.5
165.06956	3.0
177.06958	0.8
181.06459	1.4
185.71892	0.6
187.03860	2.1
193.06508	2.7
197.06015	1.1
203.03398	13.7
205.06485	3.4
211.07486	1.4
221.05981	30.8
222.06311	0.7
223.07527	7.1
225.05513	0.9
231.02780	1.4
233.05983	2.2
239.04768	0.6
239.06950	3.4
243.06470	0.7
249.05487	32.3
250.06117	2.2
251.07053	8.2
253.05002	1.2
255.06418	0.8
266.05472	0.8
267.06622	5.8
269.08194	4.0
271.05893	0.7
277.04980	15.3
278.05695	0.9
279.06580	2.9
281.04407	1.7
285.07571	3.0
295.06012	100.0
296.06265	2.9
297.07443	1.7
299.05545	2.8
305.04373	2.0
313.06747	5.1
323.05505	56.9
324.05737	1.3
327.75311	0.7
341.06598	10.8
377.08780	1.9
469.11380	1.4
497.10764	1.5
515.11719	3.1
535.06439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58982	0.2
55.05495	0.6
56.05029	0.8
57.03443	0.2
57.07059	0.5
58.06620	0.4
59.87783	0.2
60.08166	7.1
67.05498	1.2
69.03426	0.2
69.07066	0.5
71.07379	3.5
71.49661	0.3
74.09729	0.2
79.05479	0.7
81.03422	0.6
81.07063	1.1
83.04985	0.3
83.08594	0.3
84.20129	0.2
86.09707	31.3
87.04472	1.5
87.10023	0.6
87.44471	0.2
91.05468	0.7
93.07035	0.6
95.03294	0.2
95.04923	0.3
95.08616	0.7
95.53210	0.2
97.06554	0.2
98.98474	3.7
100.89864	0.2
104.10744	2.5
105.07031	0.5
107.04951	0.3
107.08605	0.5
108.15322	0.2
109.10175	0.3
116.99464	0.2
117.07018	0.2
119.08575	0.5
120.05857	0.2
121.10178	0.3
124.54047	0.2
125.00005	22.2
131.08560	0.3
131.81331	0.2
133.10158	0.4
134.86174	0.2
135.11650	0.2
145.10161	0.4
159.11839	0.3
184.07343	100.0
185.07709	2.2
186.07761	0.5
209.11754	0.2
237.11224	0.2
267.89648	0.2
275.20163	0.4
313.27203	0.3
424.31451	0.2
450.22986	0.3
609.26959	0.7
660.27869	0.3
706.46558	7.7
707.46710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
57.07057	0.2
58.06622	0.5
59.07385	0.2
60.08165	6.6
66.84603	0.1
67.05496	0.3
69.07073	0.1
69.70238	0.1
70.06609	0.2
71.07373	3.9
71.08608	0.1
79.05485	0.3
81.03404	0.2
81.07047	0.4
83.04970	0.1
86.09708	33.2
87.04465	0.3
87.09990	0.2
91.05485	0.2
93.07040	0.2
95.05080	0.1
95.08598	0.2
98.21540	0.2
98.98463	3.9
104.10749	2.8
105.07057	0.1
105.42554	0.1
111.04450	0.1
119.08573	0.1
125.00006	23.3
143.01079	0.1
165.25322	0.1
166.02702	0.1
184.07343	100.0
185.07713	0.7
189.25624	0.1
211.13300	0.1
229.12219	0.1
303.94806	0.1
496.34009	0.2
609.26447	0.1
688.44812	0.1
706.46527	5.6
707.46423	0.3
708.54651	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	706.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
55.05518	13.2
57.03442	13.3
61.02938	1.4
64.10091	1.0
65.03941	1.9
66.60213	1.0
66.60587	1.1
67.05511	20.2
69.03427	1.8
69.07062	6.0
71.04995	4.4
71.23241	1.8
71.94244	1.0
79.05504	21.8
81.03428	88.7
81.07062	21.9
81.09113	1.2
83.04982	10.2
83.08624	20.5
85.02908	10.7
85.06549	2.0
91.05492	25.9
93.07055	15.9
94.03872	1.2
95.04977	29.4
95.08627	9.0
97.02900	4.5
97.06536	2.6
97.10160	4.1
99.08097	2.4
101.21108	1.1
103.05468	1.4
105.07038	18.8
107.04971	8.3
107.08619	7.6
109.06531	4.4
109.10161	4.5
111.04448	4.1
111.08102	9.0
113.06000	2.3
115.05548	1.3
117.07022	2.6
119.08591	15.8
121.06522	3.4
121.10159	8.9
122.03889	1.0
123.08071	2.6
123.11742	1.8
125.09628	2.7
125.55116	1.2
126.76347	1.2
128.06212	1.5
129.07025	14.8
131.08603	13.0
132.01337	1.1
133.06506	3.6
133.10144	9.0
135.11743	2.7
137.09631	1.9
142.07794	2.5
143.08604	1.2
145.06508	3.8
145.10130	2.9
147.08063	4.3
147.11693	12.3
149.09662	6.4
155.08614	1.2
157.10159	11.8
163.11163	3.3
165.12781	4.5
175.11166	10.8
189.11212	1.8
193.12271	29.7
195.11656	1.3
209.11748	2.1
211.11317	2.1
211.13300	18.4
227.12729	2.5
229.14278	1.4
249.14963	2.3
255.13820	1.4
267.15936	100.0
268.16278	1.4
273.14871	5.1
283.15549	5.4
285.16983	16.3
339.23105	1.8
349.21707	3.9
367.22595	12.7
385.23697	9.9
403.24832	3.3
405.24216	1.3
433.25925	12.5
441.26276	6.3
459.27454	64.5
460.27722	4.1
477.28534	42.6
491.26514	2.3
509.27426	4.1
543.66266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46006	0.9
51.79031	1.0
53.03929	2.8
55.01877	6.8
55.05511	19.4
57.03442	7.9
57.07074	1.8
58.56538	1.0
59.04991	3.9
61.02908	3.8
62.10569	1.1
65.03947	2.5
67.05507	54.5
69.03417	3.5
69.07076	7.0
70.61579	2.5
71.01356	2.1
71.04993	24.1
73.02912	1.7
73.06567	1.0
74.44073	1.0
78.63235	0.9
79.05496	30.5
81.03423	14.4
81.07058	91.8
83.01364	6.3
83.04587	1.0
83.04990	11.7
83.08624	13.3
85.02907	7.2
85.06534	10.5
87.71841	0.9
91.03933	1.7
91.04918	1.1
91.05486	26.4
93.07045	32.0
93.07636	1.5
95.04973	7.0
95.08606	12.1
97.02890	4.1
97.06553	7.7
97.10166	3.0
99.04442	2.5
105.07037	18.1
107.04957	6.4
107.08604	20.0
109.06535	7.5
109.10149	7.7
111.04451	3.3
111.08066	3.6
117.07021	9.4
119.08576	9.8
121.06491	2.9
121.10146	11.3
123.08067	7.1
123.11704	13.1
125.05963	2.4
129.07014	1.8
130.07758	1.2
131.08600	5.9
133.10135	17.3
135.08032	1.2
135.11703	11.1
137.09619	1.4
145.10133	11.9
149.09563	1.6
149.13249	4.8
151.11188	6.8
153.12692	1.8
155.08522	1.5
159.11682	4.4
163.11186	19.9
169.12282	1.4
173.09549	3.1
177.12727	3.4
181.12184	1.9
183.13753	3.6
184.07240	1.2
187.13272	4.6
191.10612	2.5
195.13779	3.8
209.11824	5.4
225.05405	1.0
225.14880	1.3
227.12793	2.2
241.14442	1.3
265.14343	1.6
269.17499	9.3
283.15363	20.8
301.20096	15.9
315.17865	1.6
332.56516	1.1
433.25626	2.1
451.26910	100.0
452.27194	3.4
459.27277	4.3
465.28540	8.9
477.28473	48.2
478.28412	2.4
509.31125	99.0
510.31137	4.4
706.40759	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	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01870	21.2
55.05511	30.7
57.03443	26.8
57.07055	1.9
59.04992	4.0
61.02924	9.5
65.03944	1.8
67.05508	30.0
69.03417	5.5
69.07076	10.7
69.43127	10.8
70.22092	1.6
71.01344	2.4
71.04982	5.3
71.51226	1.4
73.02896	5.9
76.14262	1.5
79.05496	36.9
81.03424	24.8
81.07066	26.4
82.04190	3.5
83.01350	8.5
83.04984	19.8
83.08622	16.7
85.02905	12.3
86.09686	2.6
86.11266	1.4
91.03957	3.1
91.05482	23.1
93.07048	33.3
94.07809	2.0
95.04962	20.0
95.08606	11.9
97.02870	10.2
97.06534	10.1
97.10172	10.6
98.07284	5.9
98.20705	2.9
99.04437	4.3
104.06243	1.6
105.07036	16.2
105.51934	1.6
107.04930	11.6
107.08598	17.8
109.06525	8.0
109.10152	6.6
111.04450	3.6
111.08038	4.8
116.04725	13.5
117.07023	10.4
119.08588	13.4
121.06474	6.1
121.10171	9.3
123.08077	11.7
125.09624	17.2
127.03994	1.6
127.11213	1.8
129.05484	30.3
129.06982	6.2
131.08543	6.1
133.10106	5.3
135.08051	4.2
135.11703	15.4
137.09564	2.5
140.27007	1.5
143.07036	5.8
145.10124	16.5
147.07990	2.3
147.11664	4.8
149.09634	3.3
153.12732	3.3
153.29143	1.6
157.08640	13.3
157.09926	2.6
158.05803	2.2
163.11177	32.4
171.10176	5.1
173.09622	4.3
173.11696	2.0
181.12230	4.4
184.07385	5.4
189.11179	4.9
191.10669	4.9
192.11453	2.2
193.12239	2.9
199.13336	5.7
200.14114	1.6
200.57108	1.7
201.14809	1.9
209.11803	12.4
210.12511	2.6
211.13274	1.7
217.66405	1.5
227.12767	19.2
229.14246	1.8
234.08429	1.7
244.78423	1.5
267.15869	4.6
274.27316	1.8
283.15402	99.3
284.15829	4.6
301.16455	88.5
302.16763	2.2
306.67908	1.4
337.16483	2.1
365.19489	2.3
383.22339	2.8
413.45920	1.8
425.25275	1.8
433.75620	1.9
437.25461	7.4
457.25537	3.2
474.25989	4.5
475.26807	11.0
484.92950	2.0
491.26489	4.3
492.27026	6.7
493.28128	1.6
509.27484	100.0
510.27472	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	706.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.9
53.03942	4.6
55.01865	4.3
55.05517	21.9
57.03448	12.1
57.07080	1.5
59.04998	3.2
61.02924	5.4
67.05515	22.3
69.03439	5.1
69.07100	6.9
71.04995	4.0
73.02925	3.0
79.05075	2.0
79.05505	24.8
81.03429	48.6
81.07066	25.2
83.04993	11.4
83.08624	24.7
85.02914	19.2
85.06532	2.4
91.03928	1.9
91.05493	33.7
93.07053	18.9
95.04980	22.8
95.08620	8.7
97.02911	6.3
97.06577	6.9
97.10179	4.1
99.00836	12.1
99.04476	1.5
103.05498	2.2
105.07043	26.5
107.04984	10.7
107.08604	11.0
109.02881	9.2
109.06528	6.4
109.10161	5.1
111.04449	3.9
111.08088	11.1
113.06014	3.2
115.03967	2.4
117.07021	4.6
119.08595	20.7
121.06540	6.1
121.10155	6.1
123.04447	2.6
123.08081	2.8
123.11755	3.2
125.09660	1.6
127.03925	2.9
128.06232	3.5
129.07018	10.0
131.08606	8.7
133.06523	2.9
133.10152	37.8
135.08081	1.9
135.11708	2.5
137.05994	2.3
137.09671	1.5
142.07756	1.8
143.08586	3.4
145.10146	3.2
147.08025	2.9
147.11714	13.1
149.09630	5.4
151.11169	10.5
157.10164	8.7
161.09631	14.3
163.11156	3.9
165.12814	2.4
171.08127	2.3
173.22896	1.7
175.11223	10.1
179.10695	7.5
184.07375	2.4
189.09137	6.1
193.12280	37.5
197.11728	1.7
207.10373	2.2
211.13321	59.4
215.74855	1.9
225.11267	8.5
227.12863	2.5
241.29887	1.7
267.15964	24.4
281.13843	4.9
283.15518	7.1
285.16998	47.0
299.14920	58.8
301.16483	1.9
371.12180	1.6
385.23700	1.7
425.87817	1.5
459.27420	4.3
473.25436	2.9
477.28442	4.3
491.26169	17.0
495.29190	1.9
509.27542	100.0
510.27707	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
55.01868	7.7
55.05268	2.8
55.05512	30.6
57.03436	8.8
57.07059	3.3
61.02928	13.0
65.03933	4.5
67.05505	51.8
69.03425	15.5
69.07082	14.2
71.04987	8.1
73.02917	6.0
79.05499	47.0
81.03421	55.0
81.07059	45.8
81.07524	2.5
83.04987	17.1
83.08617	19.3
85.02890	13.0
85.06551	3.3
91.03988	3.8
91.05480	48.2
93.07041	42.4
95.04978	17.6
95.08608	23.2
97.02902	18.9
97.06525	5.7
97.10168	10.7
99.04453	4.3
103.05511	2.0
105.06320	2.4
105.07034	43.4
107.04949	6.3
107.08594	24.7
109.02882	8.1
109.06503	5.2
109.10151	16.8
111.04455	10.3
111.08100	7.7
112.07604	5.0
114.84567	2.0
115.05462	3.6
117.07024	23.2
119.04990	2.3
119.08585	33.8
121.06520	4.7
121.10145	16.9
123.04414	2.8
123.08104	3.7
123.11687	4.6
125.09645	9.6
127.03921	5.7
128.06255	3.9
129.05518	4.0
129.07004	15.1
131.08569	33.0
133.06502	3.9
133.10138	21.0
135.08032	6.1
135.11687	9.1
137.09587	3.9
141.07004	6.0
142.07809	4.5
143.08524	14.2
144.09172	2.5
145.06516	3.4
145.10129	25.6
147.08080	5.2
147.11697	18.6
149.09621	6.0
149.13229	4.4
153.12766	3.9
155.08582	7.6
157.10112	20.4
159.08171	2.9
159.11722	14.0
161.13283	9.1
163.11174	5.9
165.12843	2.2
167.08577	4.0
169.10135	8.8
171.07976	3.7
171.10368	3.1
171.11694	16.6
173.04530	3.2
173.06053	2.0
173.09642	5.6
173.13246	9.8
175.11200	8.3
175.14854	4.0
177.12805	2.0
181.10126	3.4
181.12253	4.0
183.08176	2.3
183.11731	6.6
184.07361	3.3
185.09654	3.4
185.13243	10.2
187.11230	2.7
187.14899	5.5
189.11176	2.8
189.12733	2.9
191.10684	6.0
193.05048	1.8
193.10519	2.5
193.12250	14.6
195.11749	4.1
197.13269	5.0
199.11137	2.8
199.13031	2.0
199.14883	5.4
200.18391	1.9
209.13342	2.8
211.13245	18.2
211.14914	2.1
213.12729	2.8
221.13289	3.4
223.11066	1.9
223.14861	3.4
227.12814	8.6
229.29088	2.7
231.21066	2.8
241.19481	6.6
257.19006	2.7
259.20648	18.5
261.22241	2.7
267.15930	3.8
273.18649	2.5
275.20135	3.0
283.15387	4.6
285.17072	5.9
297.22174	3.5
299.23727	6.4
307.20612	4.3
315.23209	5.0
333.24265	14.0
335.25790	3.3
339.23184	4.2
353.24973	2.4
367.22690	5.6
429.21066	3.1
433.31067	6.1
451.31967	7.1
469.32892	3.5
525.35767	22.5
541.35089	3.6
543.36823	100.0
555.36469	2.1
567.36523	3.2
585.37305	2.3
609.37799	2.3
613.35968	2.6
633.37341	2.8
651.38416	5.6
669.39740	6.4
677.02826	2.3
677.39996	2.9
687.40656	12.3
705.41833	24.4
706.40985	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01869	3.2
55.02127	0.7
55.02942	0.8
55.05269	1.4
55.05518	16.5
57.03440	5.3
57.07069	1.4
59.04996	1.6
61.02930	10.5
65.03934	1.7
67.05511	25.3
69.03439	10.8
69.07072	7.6
70.92672	2.8
71.04996	3.8
73.02929	6.0
79.05503	18.1
81.03426	20.1
81.07066	20.7
83.05002	8.6
83.08623	10.5
85.02911	9.3
85.06554	1.8
91.03962	5.0
91.05489	19.9
91.16849	0.8
93.07056	16.3
95.04964	7.3
95.08613	11.3
97.02919	10.6
97.06534	2.6
97.10194	5.6
99.04454	1.3
99.08090	1.1
105.07040	16.4
107.04962	4.3
107.08591	10.2
109.02889	2.1
109.06529	2.4
109.10185	8.9
111.04446	3.6
111.08099	4.2
115.03900	0.9
115.05434	2.0
117.07043	8.8
119.08582	14.1
119.95719	1.1
121.06516	3.1
121.10140	8.0
123.08079	1.6
123.11718	1.6
125.09618	4.7
127.03922	3.2
128.06261	2.1
129.05507	1.0
129.07027	8.6
131.04967	1.1
131.08571	13.9
133.06496	2.3
133.10159	10.7
135.08093	1.9
135.11702	4.2
137.09659	1.7
139.11201	1.1
141.06993	3.1
142.07739	2.0
143.08568	8.6
145.06505	2.4
145.10161	11.3
146.67642	1.0
147.08063	2.0
147.11708	8.5
149.09630	3.4
149.13286	2.2
149.62749	0.9
153.12785	1.8
155.08533	4.5
156.09377	1.6
157.06555	1.2
157.10133	8.3
159.08124	2.0
159.11699	9.1
161.09653	1.7
161.13271	4.5
163.03860	1.3
163.11191	2.3
167.08643	1.9
169.10155	6.0
171.08122	2.1
171.11679	7.0
173.04471	2.6
173.09734	2.7
173.13269	6.2
175.11169	2.8
175.14801	1.4
181.10158	3.1
181.12160	1.1
183.08063	1.1
183.11700	5.5
185.09695	2.1
185.13318	5.0
187.11194	2.1
187.14888	1.8
189.11145	1.6
193.10510	1.6
193.12308	5.5
195.08028	0.9
195.11725	3.2
196.44437	0.9
197.13304	3.9
199.11325	1.5
199.14879	3.4
201.12730	1.9
201.16391	1.4
207.06796	0.9
207.11757	1.2
209.13283	2.0
211.13153	5.7
211.15033	1.3
213.12785	1.7
215.14294	1.5
221.13292	1.0
223.14862	1.2
227.12645	4.5
229.14261	1.3
233.13275	1.1
235.14876	1.6
241.19624	2.2
257.19077	1.4
259.20575	6.5
267.16040	2.5
271.20612	1.5
275.19958	1.7
281.22369	1.0
283.20657	1.3
285.17010	1.7
297.22238	2.0
299.20554	1.1
299.23721	4.5
301.21576	1.1
315.23276	2.0
325.21518	1.1
333.24341	2.6
339.23111	1.7
353.25043	1.1
357.24411	1.6
364.69601	1.0
367.22659	2.4
379.26318	1.0
391.26547	1.0
415.30051	1.8
421.25919	1.9
423.32483	1.1
429.21210	1.1
433.31070	4.8
435.27469	2.8
438.13049	1.0
441.26291	1.1
451.32065	7.8
469.33136	3.3
471.32251	1.0
508.26654	1.1
515.37286	2.0
525.35803	20.0
541.34784	1.7
543.36877	100.0
544.37048	4.6
567.35870	1.1
579.71686	1.0
585.38074	1.6
609.37689	1.5
633.37494	1.9
651.38348	3.2
669.39319	4.3
687.40790	6.9
705.42255	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	705.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.3
55.01883	8.1
55.05278	1.7
55.05517	27.5
57.03448	11.9
57.07078	2.9
58.90478	1.3
61.02933	12.2
65.03938	3.3
67.05512	46.7
69.03431	14.1
69.07070	15.2
70.76176	3.3
71.04989	6.6
73.02930	6.9
79.05502	40.7
81.03427	43.3
81.07066	38.7
83.04987	13.2
83.08631	13.2
84.65546	1.5
85.02914	15.2
85.06536	2.1
91.03964	5.1
91.05490	39.2
93.07052	31.7
95.04982	15.1
95.08622	24.8
97.02904	15.1
97.06533	5.1
97.10190	12.2
99.04449	4.1
101.02403	1.8
103.05442	2.4
105.07044	35.1
106.07404	1.5
107.04951	5.2
107.08607	20.9
109.02884	4.4
109.06528	5.3
109.10180	14.4
111.04434	7.9
111.08083	7.0
113.06004	1.6
115.05483	1.8
115.82803	1.3
117.07049	16.3
119.08604	23.2
121.06513	5.4
121.10157	13.0
123.04423	1.8
123.08063	2.7
123.11744	3.8
125.09658	8.9
127.03922	4.7
128.06215	3.8
129.05524	2.5
129.07013	17.3
131.08578	26.5
133.06505	3.0
133.10156	20.2
135.04393	1.6
135.08070	3.3
135.11722	6.2
137.06006	1.7
137.09602	2.8
141.07014	5.8
142.07793	4.1
143.08580	13.5
145.06502	6.5
145.10150	20.7
147.08044	4.3
147.11713	15.4
149.09668	3.4
149.13292	2.6
151.07549	1.7
151.11258	2.3
153.12701	2.0
155.08563	8.8
157.10127	15.3
159.08096	4.5
159.11725	13.4
161.09669	3.5
161.13298	6.7
163.03922	2.2
163.11179	6.2
165.06979	2.0
165.12744	1.7
166.12238	1.4
167.08598	2.8
168.09309	2.6
169.10165	7.9
171.08008	2.4
171.11676	10.2
173.04507	3.4
173.05939	3.1
173.09618	5.5
173.13319	9.3
175.11264	3.5
175.14890	3.4
177.12836	1.7
179.08575	1.6
181.10205	3.0
183.08070	1.6
183.11691	6.2
184.07355	3.0
185.09641	2.2
185.13283	9.1
187.11237	2.9
187.14851	3.2
189.11195	3.0
189.12743	3.1
191.10719	3.2
193.10686	1.7
193.12282	10.3
195.11699	4.7
197.13316	5.9
199.11305	2.3
199.14830	3.2
203.14401	1.6
205.10156	1.7
209.09724	2.6
209.13429	3.3
211.13219	11.8
211.14763	1.5
213.12709	2.7
213.16399	2.3
219.11757	2.8
221.13300	2.5
223.14873	2.9
227.10846	1.8
227.12735	7.6
229.14293	3.1
241.19539	4.6
257.19037	2.9
259.20596	11.2
267.15982	5.5
275.20163	4.7
283.20639	2.9
285.17120	2.6
297.21976	1.8
299.20218	2.5
299.23456	6.9
313.21793	1.6
315.23212	2.1
325.21677	1.9
333.24179	5.8
337.21899	1.8
339.22888	2.2
357.24365	3.0
367.22690	2.0
371.26108	2.0
385.23343	2.0
403.24377	2.1
415.30087	1.9
421.26035	2.2
429.20590	4.1
433.30994	5.7
435.27283	2.8
451.32083	8.4
459.27234	2.9
469.33340	4.4
477.28494	2.0
507.34583	2.0
525.35883	18.7
541.34424	4.8
543.36877	100.0
544.37408	5.3
555.36285	1.7
567.36835	2.2
585.37744	3.1
613.35223	2.0
631.36053	2.6
633.37970	2.0
651.38312	6.4
669.39581	5.8
677.40338	3.0
687.40125	14.1
705.41461	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.5
51.78969	1.4
53.03942	12.1
55.01875	15.5
55.05510	31.9
57.03437	15.3
57.07077	3.4
57.75504	1.5
61.02931	1.8
65.03268	1.5
65.03934	5.4
67.05504	67.3
69.03423	30.2
69.07069	19.0
71.04994	13.9
73.02892	2.3
79.05020	2.0
79.05492	55.0
81.03416	100.0
81.07053	67.3
81.07537	3.7
83.04978	27.6
83.08620	20.0
85.02903	12.4
85.06535	3.8
85.71980	1.6
86.09693	2.8
91.05483	44.8
93.07042	55.9
95.04955	14.1
95.07985	2.7
95.08600	40.6
97.02892	27.4
97.06534	10.1
97.10159	15.3
98.20763	2.8
99.04443	12.0
99.08074	3.2
105.07027	33.4
106.14639	1.5
107.04938	7.5
107.07887	2.4
107.08597	39.8
109.02877	20.2
109.06515	7.1
109.10152	21.0
111.04444	26.1
111.08098	9.1
117.07012	21.1
119.08579	29.3
121.06498	4.0
121.10150	22.9
123.04434	1.8
123.08047	6.0
123.11701	6.1
125.09617	11.5
127.03922	16.2
128.06232	4.4
129.05457	2.9
129.06978	11.2
131.08566	26.4
133.06535	3.8
133.10129	19.1
135.08060	5.2
135.11684	22.2
137.09605	3.4
141.06992	4.3
143.08583	10.8
145.06412	3.9
145.10126	22.9
147.08066	3.6
147.11696	13.1
149.09621	6.7
149.13263	7.1
153.12708	15.8
155.08517	6.7
157.10167	8.0
158.10574	1.9
159.08069	2.8
159.11682	15.1
161.09622	4.1
161.13240	7.0
163.11168	20.3
163.14804	1.7
167.08582	2.3
169.10127	8.2
171.08047	2.6
171.11734	10.1
173.04466	32.6
173.09634	5.8
173.13248	9.1
175.14891	3.0
177.12712	2.1
181.10059	3.3
181.12230	17.9
183.11722	5.0
184.07347	5.5
185.09561	2.3
185.13246	7.3
187.11143	3.7
187.14772	4.2
189.11247	5.1
189.12811	2.3
191.10654	16.4
193.05151	1.9
193.12291	3.2
195.11726	2.3
197.13231	3.9
199.11317	1.5
199.14775	4.2
201.12660	2.9
207.11635	2.7
209.11630	9.2
209.13434	3.2
213.16365	2.3
227.12776	46.6
241.19589	2.5
243.21024	2.1
259.20428	4.4
261.22079	8.3
275.19968	5.6
277.21686	2.2
283.15363	15.2
283.20587	2.1
299.23688	5.7
301.16467	4.5
301.21646	4.1
317.24652	4.2
325.21609	2.2
327.23038	2.0
333.24588	2.7
335.25833	24.1
339.23236	2.1
349.23798	2.7
351.23135	3.6
353.15976	6.3
369.24075	6.2
375.25540	2.2
425.26596	2.5
427.19720	10.1
433.31137	3.8
451.31876	7.8
469.33206	3.7
479.29816	2.7
515.37726	2.7
525.35803	11.6
543.36829	44.7
544.36786	3.4
561.37689	7.8
589.92413	2.0
651.38983	2.5
669.39838	4.6
687.40894	17.2
705.42175	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.0
55.01870	20.7
55.05515	45.7
57.03438	18.0
57.07058	3.4
59.46849	2.4
61.02923	3.4
64.29780	3.1
65.03941	7.2
67.05507	82.6
69.03093	3.0
69.03432	31.7
69.07073	26.7
70.57567	5.3
70.57893	3.0
71.04989	13.8
73.02917	2.3
73.90977	2.4
79.05492	70.0
81.03420	100.0
81.06589	5.7
81.07053	71.4
83.04980	30.7
83.08622	20.1
85.02908	11.0
85.06561	4.8
86.09727	3.2
91.05482	46.0
93.07047	71.8
95.04963	15.6
95.08612	50.6
95.56427	2.4
97.02894	36.1
97.06514	11.1
97.10175	19.3
99.04448	16.5
105.04515	4.8
105.07031	41.9
107.04955	11.5
107.08604	42.9
109.02869	30.0
109.06548	4.2
109.10162	22.3
111.04438	30.3
111.08086	12.8
115.05484	4.6
117.07020	19.2
119.08588	33.6
119.11822	2.6
120.62796	2.7
121.06527	7.3
121.10143	31.3
123.08049	4.3
123.11691	6.8
125.05932	3.0
125.09640	13.9
127.03931	27.7
129.07008	15.0
131.08580	31.3
133.10153	22.9
135.08064	7.1
135.11702	31.1
143.08575	11.3
145.10123	29.6
147.11649	15.6
149.09631	6.3
149.13249	9.8
153.07077	3.0
153.12769	22.3
155.08583	5.0
156.09357	2.8
157.10117	11.6
159.08109	3.2
159.11690	14.7
161.13283	8.4
163.11194	25.8
169.10164	7.5
171.10231	3.0
171.11745	8.3
173.04469	33.9
173.09612	8.0
173.13266	10.8
174.02557	2.8
181.09981	3.3
181.12234	22.6
183.11668	7.7
184.07361	8.5
185.13298	5.4
187.14897	4.9
189.11198	6.7
189.12711	3.3
191.10709	23.8
193.12262	3.8
195.11632	3.6
197.13216	4.5
199.11241	5.3
199.14842	4.0
209.11617	13.0
211.13148	4.3
227.12753	46.3
227.14592	3.7
227.18062	3.1
237.16449	3.2
252.36148	2.5
258.09903	2.7
259.20468	5.7
261.22156	12.4
275.19904	6.1
283.15369	21.0
296.62918	2.9
299.23734	7.9
301.16345	3.4
317.24933	3.9
335.25806	38.6
353.15860	4.8
369.24200	6.4
387.25650	3.6
427.19476	10.8
433.31403	5.5
451.32013	5.7
461.29071	3.0
469.32895	7.0
487.33990	4.0
515.37238	4.7
525.35938	13.1
543.36804	52.8
548.33716	2.8
561.37500	13.1
607.43713	4.2
651.38251	4.7
687.40900	17.3
705.41907	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19123	1.8
51.02369	3.6
53.03951	15.5
55.01876	14.2
55.05270	2.8
55.05515	35.4
57.03442	14.1
57.07073	4.7
59.05000	1.9
61.02931	2.7
65.03931	5.9
67.05510	69.3
69.03432	30.3
69.06727	2.6
69.07066	21.6
69.45146	15.3
69.66314	1.9
71.05009	14.9
73.02926	3.4
79.03082	2.0
79.05497	48.8
81.03423	100.0
81.06593	3.7
81.07060	62.4
83.04977	27.5
83.08624	18.8
85.02928	12.6
85.06550	3.0
86.09709	17.7
87.04472	2.3
91.05480	40.7
93.06487	4.0
93.07050	52.1
95.04977	12.1
95.08611	44.7
97.02895	29.4
97.06509	9.6
97.10179	15.8
98.98508	2.0
99.04453	11.7
99.08102	4.1
105.06397	3.0
105.07038	33.1
107.04916	6.8
107.08596	40.6
109.02888	25.0
109.06516	5.6
109.10178	24.0
111.04450	26.4
111.08085	9.2
115.05473	3.3
117.07013	16.6
119.08586	28.6
121.06518	7.4
121.10137	25.2
123.04426	3.2
123.08055	2.8
123.11733	5.1
125.00027	13.0
125.09629	14.5
127.03936	14.9
128.06203	3.9
129.05481	4.5
129.07028	13.5
131.08563	28.8
133.10139	20.0
135.08055	7.9
135.11685	21.2
137.09650	2.9
141.06970	6.4
143.08545	12.7
145.06548	4.1
145.10127	28.5
147.08051	4.5
147.11682	13.8
149.09621	5.2
149.13283	6.3
151.11227	3.0
153.12746	18.6
155.08542	6.6
157.06517	2.1
157.10132	11.9
159.08012	2.5
159.11728	14.3
161.09608	2.3
161.13240	7.1
163.11179	21.8
165.12848	2.1
167.08601	3.5
169.10085	7.2
171.11632	9.2
173.04469	34.0
173.09599	5.4
173.13258	11.0
173.82988	2.0
179.08492	2.6
181.10152	3.6
181.12225	19.7
183.11696	6.8
184.05795	3.8
184.07341	52.0
185.07672	6.2
185.09441	2.6
185.13277	8.0
187.14815	6.3
189.09431	2.1
189.11221	10.1
189.12744	2.9
191.10710	14.9
193.12332	3.5
195.11707	5.4
197.13217	3.7
199.14938	3.7
209.11693	7.0
209.13402	2.6
211.14873	2.5
223.11102	2.0
227.12779	50.5
259.20688	4.0
261.22098	7.6
267.15784	2.3
279.23349	2.7
283.15390	20.0
283.20355	2.6
299.23898	9.0
301.16391	5.4
301.21616	2.9
317.24969	3.4
333.24341	2.4
335.25766	24.1
351.23077	2.5
353.15979	5.4
357.23944	2.5
369.24097	5.8
387.25351	3.4
405.88525	2.0
427.19577	8.3
433.31067	2.4
443.27878	2.1
451.32056	8.3
469.33127	6.7
487.34192	3.1
515.37299	5.3
525.35925	16.7
543.36835	52.3
544.37177	2.5
561.37823	7.9
608.26050	5.4
641.40613	2.2
669.39197	2.4
687.40906	10.9
705.42352	27.2
706.42975	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
58.06628	0.6
60.08165	6.5
62.84772	0.2
69.11955	0.1
69.54119	1.2
71.07374	3.8
74.44088	0.2
81.07044	0.2
86.09706	31.6
92.94831	0.2
93.07075	0.2
98.98466	4.0
104.10743	2.2
125.00005	22.3
141.96695	0.2
150.09625	0.2
184.07341	100.0
185.07617	0.7
189.14597	0.2
192.40875	0.2
209.15678	0.2
273.56119	0.2
322.69785	0.2
448.20483	0.2
496.33896	0.3
574.38202	0.2
704.44928	5.0
705.44800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05053	0.6
57.07060	0.2
58.06621	0.4
60.08169	7.0
67.05499	0.3
69.07071	0.2
69.31237	1.0
70.06596	0.2
71.06990	0.2
71.07379	3.9
77.58955	0.1
79.05486	0.3
81.03409	0.1
81.07050	0.3
86.09711	34.2
87.10036	0.3
91.05478	0.2
93.07055	0.2
95.04962	0.1
95.08639	0.3
98.21524	0.2
98.98470	3.7
104.10753	3.2
105.06951	0.2
107.08579	0.2
121.10191	0.2
125.00012	21.3
135.11761	0.3
145.10114	0.2
163.11264	0.2
184.07352	100.0
185.07672	0.7
193.42380	0.2
203.77286	0.1
262.73004	0.1
294.33807	0.1
328.60751	0.1
372.92590	0.1
394.05353	0.2
427.26797	0.1
496.34045	0.3
704.44989	10.5
705.44952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	15.8
55.01880	13.3
55.05516	40.0
57.03448	16.5
57.07079	5.1
59.04957	2.4
59.96286	2.0
60.08167	4.7
61.02922	1.9
65.03931	4.0
67.05512	70.7
68.68172	2.0
69.03083	3.4
69.03438	32.9
69.07076	19.9
69.30525	15.0
70.60560	1.7
71.04987	13.7
73.02950	2.0
79.05499	58.5
80.05768	2.2
81.03426	100.0
81.07066	71.8
83.01354	2.2
83.04990	25.1
83.08623	18.9
85.02906	13.0
85.06546	4.2
85.07271	1.8
86.09704	13.5
88.68710	1.9
91.04924	2.9
91.05482	43.0
93.06496	3.4
93.07059	59.4
95.04971	12.4
95.08614	41.6
97.02897	31.9
97.06540	10.6
97.10178	17.9
99.04465	14.0
99.08083	2.9
101.02394	1.7
103.05507	3.2
105.04510	2.3
105.07044	36.7
107.04957	8.0
107.08607	42.6
109.02897	30.4
109.06509	5.5
109.10173	21.0
111.04452	32.0
111.08092	13.3
117.07017	18.7
119.08604	28.3
121.06520	2.5
121.10154	28.2
123.04479	2.4
123.08076	3.0
123.11735	4.3
125.00010	8.0
125.09661	15.4
127.03924	19.1
128.06245	3.4
129.05502	4.2
129.07010	11.0
131.08586	28.8
133.06508	2.7
133.10164	20.9
135.08043	5.6
135.11708	24.7
137.09639	2.5
141.07021	3.4
143.08582	11.4
144.09332	2.8
145.05070	2.0
145.06514	4.2
145.10152	28.5
147.08109	2.0
147.11703	15.1
149.09634	5.5
149.13261	5.2
153.09123	2.0
153.12778	19.3
155.08542	7.7
157.10124	11.3
159.11713	13.3
161.13260	5.9
163.11185	26.9
167.08633	2.3
167.10693	2.1
169.10141	4.6
171.08012	2.6
171.10292	3.0
171.11739	5.8
173.04468	31.1
173.09677	5.2
173.13234	11.4
175.11191	3.4
175.14767	2.0
179.08548	3.0
181.12253	23.4
183.11748	4.1
184.07364	56.8
185.07661	4.0
185.13295	6.9
187.14804	4.8
189.11234	8.4
191.10669	20.2
193.12247	2.4
195.07996	2.2
197.09624	2.0
197.13240	2.2
199.14888	3.2
209.11702	11.6
209.13367	4.6
211.13268	2.4
213.12943	2.4
227.12817	44.3
227.14967	3.5
243.21046	3.5
245.13821	2.5
259.20728	2.7
261.22137	10.7
277.21637	2.4
283.15363	19.1
299.23746	5.1
301.16519	3.4
301.21753	3.5
317.25143	4.0
327.23026	2.5
333.24478	2.4
335.25854	32.7
353.15857	6.9
369.24335	4.3
387.25372	3.3
427.19727	9.1
433.31073	5.0
451.32095	7.0
461.28802	3.1
469.32953	3.7
487.34171	3.0
515.37256	5.4
525.35883	13.7
543.36951	47.5
558.09229	2.1
561.37933	11.9
608.26031	2.1
651.38892	4.0
669.39233	3.8
687.40955	13.5
705.42175	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	704.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45631	0.6
51.02375	0.8
53.03949	3.2
55.01875	5.9
55.05274	0.9
55.05516	13.6
57.03439	9.0
58.82444	0.7
59.04996	1.6
61.02910	1.4
65.03965	1.2
67.05510	17.2
69.03430	2.4
69.07071	4.5
71.04985	3.5
73.02919	0.7
76.59371	0.6
79.05503	21.6
81.03428	47.5
81.07064	18.0
82.07375	0.6
83.01360	4.1
83.04989	8.8
83.08632	13.8
85.02911	3.9
85.06551	1.5
91.05488	19.0
93.07051	17.5
95.04981	18.9
95.08611	8.0
97.02907	4.3
97.06570	3.4
97.10181	6.8
99.04468	1.7
103.05473	1.0
103.52975	0.6
105.07034	11.7
105.07702	1.2
107.04960	9.9
107.08606	11.5
109.02904	1.3
109.06531	4.6
109.10159	5.1
111.04475	3.7
111.05124	0.7
111.08083	5.4
114.09303	0.8
115.05473	0.8
116.36163	0.7
117.07030	6.3
119.04988	1.0
119.08595	10.9
121.02876	0.8
121.06519	4.8
121.10151	7.1
123.04441	1.7
123.08099	6.0
123.11686	1.1
125.05969	1.2
125.09644	4.7
129.07033	6.0
130.07774	1.0
131.04935	1.1
131.08580	7.5
133.06509	3.5
133.10159	3.5
135.08058	2.5
135.11711	6.5
137.06027	1.4
137.09576	1.8
142.07742	1.1
143.08560	2.0
145.06496	2.3
145.10117	8.8
147.04451	1.3
147.08037	3.7
147.11708	5.1
149.05954	0.8
149.09637	3.1
151.03925	0.7
153.09137	0.9
153.12787	1.9
155.08569	2.4
157.06459	0.8
157.10152	6.1
159.08090	2.0
159.11696	1.4
161.05989	2.8
161.09613	1.6
163.11189	13.8
165.12749	1.0
166.09790	0.7
169.06497	0.9
169.10208	1.0
171.08104	1.7
173.06033	0.9
173.09650	3.4
175.07512	1.0
175.11179	5.4
177.12779	1.0
181.12328	2.1
183.11703	1.0
184.07448	1.6
185.09631	0.9
189.09151	1.3
189.11264	1.9
191.10727	1.7
192.11057	0.8
193.12262	10.6
195.11711	1.3
201.12778	0.9
205.12250	2.0
209.11688	3.5
211.11330	1.3
211.13283	1.7
213.12805	1.5
227.12830	3.1
229.12173	0.8
231.13826	2.1
235.11176	1.2
243.13757	1.2
249.15054	1.8
265.14377	1.4
267.15948	30.7
268.16153	0.8
269.15353	0.9
271.13385	1.9
273.14954	2.2
283.15417	23.4
284.16074	1.1
289.14438	2.9
303.16104	0.7
337.21994	0.8
347.20123	0.7
355.22772	1.9
365.21249	4.0
383.22226	21.4
401.23242	7.7
407.24286	0.8
419.24316	2.3
421.23526	1.5
431.24216	2.2
439.24890	2.4
457.25909	30.8
458.25830	1.0
475.26974	100.0
476.27438	3.9
493.27942	9.4
517.28235	1.1
601.30688	0.8
704.41803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.8
55.01878	16.4
55.05515	29.3
57.03437	17.7
57.07064	4.3
61.02903	3.6
62.94895	2.7
65.03929	5.6
65.97071	2.8
67.05506	65.7
69.03415	7.3
69.07069	16.9
69.82578	5.7
69.82992	7.6
71.04987	6.2
72.20592	2.2
73.02921	8.3
73.06519	2.7
73.34169	2.6
79.05495	89.2
79.18921	3.1
81.03419	33.8
81.07056	49.8
82.04184	6.1
83.04984	26.0
83.08604	11.6
83.83844	2.4
85.02891	4.5
85.06541	6.8
91.05483	64.8
92.05808	3.6
93.07045	69.0
95.04977	33.4
95.08611	33.4
97.02887	8.8
97.06519	13.8
97.10181	12.4
98.07314	5.0
98.21524	2.7
105.06406	4.0
105.07040	51.8
107.04946	17.3
107.08604	28.5
108.05704	2.6
108.08935	2.9
109.06506	9.8
109.10152	10.6
111.04443	5.5
111.08089	4.0
116.04704	11.6
117.07040	12.4
119.08591	29.7
121.06466	8.9
121.10159	9.8
123.08067	8.1
125.09648	14.5
129.05519	22.0
129.07010	20.6
131.08551	13.1
133.10124	17.9
135.07988	3.7
135.11682	9.5
136.18550	2.4
137.09662	2.9
143.07051	4.5
143.08556	8.9
145.10139	16.4
146.10452	3.4
147.08018	4.0
147.10641	4.6
147.11691	40.4
149.09570	2.7
153.12741	3.6
157.08614	10.1
157.10114	4.3
161.09569	3.3
161.13257	13.1
163.11197	12.0
169.63498	2.7
171.10268	5.5
171.11688	24.9
181.12254	3.5
184.07347	8.8
189.11226	3.7
189.12755	10.9
191.10648	6.8
193.12225	6.3
199.13312	7.3
207.13785	27.1
209.11754	5.5
225.14804	3.0
227.12843	14.2
265.14450	3.6
267.15897	6.1
275.20038	4.5
281.17477	63.6
283.15277	5.8
301.16428	48.9
435.27475	12.2
443.24493	2.5
472.27988	3.4
473.28961	8.1
489.28137	12.0
490.29089	4.9
507.29565	100.0
508.29483	4.2
538.96014	2.6
704.40320	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.0
53.03946	13.2
55.01872	6.3
55.05511	31.7
57.03445	20.2
57.07080	3.2
60.08171	2.1
65.03930	8.2
67.05505	95.8
69.03428	30.3
69.07064	21.4
71.04979	9.2
71.08675	1.9
71.50202	2.6
73.02933	2.3
74.93135	1.7
77.03915	1.7
79.05494	100.0
81.03420	55.0
81.03796	1.1
81.07057	79.8
83.04977	20.1
83.08623	12.9
85.02906	19.7
85.06544	4.1
86.09692	9.6
86.51183	1.6
89.06017	3.0
91.05483	76.2
93.07044	99.8
95.04966	22.5
95.08609	60.0
97.02895	12.1
97.06570	8.7
97.10164	3.3
99.04456	7.5
99.08089	2.7
101.02381	1.8
103.03912	2.5
103.05460	3.4
105.04536	2.8
105.07030	48.5
105.07697	3.6
107.04963	12.8
107.08592	38.6
109.02885	6.9
109.06534	8.5
109.10162	19.4
111.04388	2.1
111.08086	4.0
115.05470	6.3
116.06309	2.2
117.07030	29.2
119.04944	2.3
119.08586	34.9
121.06517	8.2
121.10159	26.9
123.04442	2.6
123.08075	5.9
123.11704	4.6
125.00011	4.6
127.03918	8.0
128.06213	6.4
128.11038	1.8
129.05501	4.1
129.06987	21.4
131.04941	4.5
131.08566	24.1
133.06516	7.7
133.10135	20.1
135.08018	4.6
135.11662	13.1
137.05873	2.3
137.09602	2.9
141.06969	4.4
142.07895	2.1
143.08562	17.6
145.04965	2.2
145.06490	7.0
145.10132	19.1
147.08086	5.7
147.11703	27.0
149.09641	3.6
149.13234	4.3
155.08578	5.7
157.06520	4.7
157.10123	6.1
159.08055	5.5
159.11662	11.2
161.09676	3.8
161.13257	15.8
161.76015	2.0
169.10123	5.0
169.64722	1.8
170.22321	2.2
171.08070	5.2
171.11667	19.4
173.04536	7.4
173.09644	2.4
173.11891	2.2
173.13196	9.7
175.14784	1.9
177.12798	4.3
181.10068	2.8
183.11681	3.9
184.07353	26.1
185.07718	5.1
185.09532	3.0
185.13289	4.0
187.11122	2.7
187.14818	3.4
189.12749	7.1
195.11621	2.6
195.13957	2.4
197.13240	4.0
199.14763	1.9
207.13826	18.5
215.14372	2.5
221.15288	3.3
223.14723	2.5
231.14001	2.5
241.15918	4.4
243.21245	2.3
245.15521	2.6
251.14450	2.1
259.17145	4.4
261.22202	7.6
265.32883	1.9
269.15359	6.5
279.15967	2.1
281.17484	22.5
287.16312	15.2
309.17236	2.4
335.25815	80.5
351.18091	3.1
361.20111	3.9
425.21637	8.2
541.38989	47.4
555.40063	3.0
593.41815	2.0
621.41339	2.7
685.42499	3.1
703.44287	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	703.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
53.03947	17.6
54.57958	2.0
55.01871	7.5
55.05267	3.2
55.05516	32.9
57.03435	14.9
57.07069	8.8
61.02937	2.4
65.03936	5.7
67.05511	100.0
69.03439	29.2
69.07073	24.1
69.67553	11.5
71.04989	8.2
71.08636	4.7
73.02917	2.8
77.03951	2.3
78.83853	2.0
79.05499	93.4
80.05852	2.0
81.03428	52.7
81.06596	4.9
81.07063	86.5
83.04990	23.0
83.08619	14.2
85.02901	16.9
85.06542	4.2
86.09706	14.8
89.06042	3.3
91.05489	75.5
93.07050	85.6
95.04984	20.8
95.08616	60.6
97.02899	9.9
97.06538	8.0
97.10149	6.0
98.98483	2.8
99.04465	6.7
101.02409	2.2
103.05463	2.3
105.04522	3.9
105.07040	47.7
105.70303	2.4
107.04958	11.6
107.08591	29.9
109.02884	8.0
109.06520	5.5
109.10165	24.1
111.04456	3.1
115.05447	4.9
117.07040	21.5
119.08598	34.6
121.06502	5.9
121.10149	21.9
123.04438	2.8
123.08059	6.5
123.11672	4.2
125.00001	10.7
125.09566	3.3
127.03925	6.4
128.06238	6.2
129.05484	6.7
129.07013	24.6
131.04904	4.4
131.08592	27.4
133.06497	5.4
133.08582	3.4
133.10144	20.5
135.04430	2.1
135.08058	4.3
135.11682	14.2
137.09598	2.3
141.06985	4.9
143.08537	14.3
145.06479	6.4
145.10139	15.6
147.07970	5.0
147.11731	18.2
149.05986	2.5
149.09650	4.4
149.13263	7.0
155.08569	3.8
157.06566	2.6
157.10147	7.9
158.83257	2.2
159.08061	6.2
159.11716	13.7
161.13277	14.5
167.08430	3.0
169.10159	3.7
171.08015	4.2
171.11707	17.9
173.04485	7.8
173.09612	2.3
173.13301	4.3
175.07700	2.4
175.14825	3.4
179.14386	2.3
181.10175	3.1
183.11699	3.0
184.07353	57.3
185.07698	2.8
185.09663	2.1
185.13333	6.9
187.14822	3.7
189.12767	4.9
195.11601	2.4
199.14836	3.2
201.12828	3.3
203.14441	2.4
207.13849	11.5
221.15405	3.6
223.14870	3.5
241.15901	4.3
259.17154	2.8
259.20673	2.4
261.22092	3.8
269.15384	4.6
281.17398	14.7
287.16528	11.4
333.24313	2.3
335.25809	67.4
351.18027	3.3
361.20007	3.5
425.21741	7.2
541.39020	32.1
669.07605	2.5
703.42218	5.1
706.23730	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01869	6.0
55.05271	2.1
55.05516	28.5
57.03429	7.6
57.07085	1.8
61.02928	9.9
65.03926	2.7
67.05510	32.4
69.03436	12.9
69.07079	10.4
71.05003	4.1
73.02918	6.5
75.97051	1.4
79.05498	25.5
81.03423	25.6
81.07056	26.2
83.01340	1.6
83.04985	9.3
83.08624	11.6
85.02910	12.4
87.62966	1.4
91.03977	3.1
91.05481	22.1
93.07042	18.1
93.19501	1.6
95.04987	7.2
95.08601	11.4
97.02897	14.7
97.06554	1.8
97.10179	14.5
99.04463	3.4
101.02402	2.0
105.07051	17.2
107.04964	5.4
107.08589	13.6
109.02889	5.1
109.06530	5.2
109.10153	9.5
111.04454	3.5
115.05456	2.5
117.07039	11.1
119.08569	11.2
121.06503	2.9
121.10123	5.3
123.08092	3.6
125.09615	9.0
127.03938	6.1
128.06201	3.8
129.05505	1.8
129.07018	11.9
131.08556	15.8
133.10191	8.1
135.08047	3.8
135.11699	6.4
141.07008	7.4
142.07770	2.9
143.08580	13.4
145.06467	2.0
145.10129	10.8
147.08012	1.8
147.11699	5.7
149.09572	2.7
153.07048	2.5
155.08560	7.1
157.06519	1.4
157.10132	13.7
159.08092	3.0
159.11685	8.4
161.09601	3.4
161.13264	1.9
163.11198	3.7
165.06987	2.1
167.08548	4.6
169.10139	10.7
171.08018	4.7
171.10216	2.4
171.11674	11.2
173.04457	7.6
173.09554	2.4
173.13261	4.4
179.08578	3.6
181.10132	5.0
181.12256	1.8
183.11722	7.6
185.09608	5.1
185.13298	6.0
187.11243	1.8
187.14784	2.0
189.11235	6.4
189.12744	1.8
193.10143	4.0
194.10927	1.9
195.11697	5.3
197.09625	3.4
197.13290	4.6
199.14862	4.3
207.11700	3.4
209.13289	4.9
211.14897	2.0
213.16360	2.5
219.11693	3.1
221.13316	4.0
225.12773	2.1
227.12732	12.4
233.13434	2.1
237.16377	1.7
257.19150	1.9
259.20627	3.7
275.19977	1.8
279.20840	2.0
283.15182	2.8
297.22101	6.7
299.20087	2.6
315.23236	3.1
337.21332	1.6
339.22971	1.9
351.23059	2.2
403.30188	1.9
405.07095	1.7
421.30890	2.0
431.29486	5.8
446.78754	1.6
449.30563	8.2
459.27521	1.9
467.31628	4.1
485.32587	1.8
513.35718	4.3
523.34247	15.9
539.33759	1.8
541.35284	100.0
542.35510	5.8
559.36096	3.5
565.35144	1.6
604.45392	1.5
628.61798	1.6
649.36743	1.9
667.39056	1.8
685.39252	9.2
703.40466	24.4
704.40472	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	703.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.0
51.02389	2.0
53.00295	1.8
53.03951	15.7
54.31939	1.8
55.01878	17.7
55.05242	2.0
55.05514	36.6
57.03434	9.2
57.07078	2.4
61.02922	2.5
65.03946	6.3
67.05508	70.0
68.33969	1.6
69.03426	19.1
69.07070	36.3
69.83212	9.5
69.89658	1.5
70.06594	3.7
71.05000	10.7
73.02926	3.4
79.05496	61.7
81.03419	100.0
81.07056	71.0
81.07537	3.7
83.04980	23.9
83.08621	26.3
85.02906	18.3
85.06556	4.9
91.05485	81.8
92.05905	2.0
93.07046	52.8
95.01338	8.0
95.04973	31.1
95.08608	38.8
95.77243	1.8
97.02892	23.4
97.06533	28.4
97.10181	8.0
98.21506	4.6
99.04470	5.5
99.08131	1.9
103.05493	5.3
105.04509	2.1
105.07036	81.7
107.04967	18.5
107.08595	26.8
109.02898	14.7
109.06525	9.2
109.10166	13.9
111.04438	14.3
111.08077	10.4
115.05470	5.1
116.06270	3.0
117.07023	23.6
117.07770	2.4
117.19218	1.9
119.04998	2.6
119.08585	48.0
119.09367	2.8
121.06552	6.6
121.10149	15.5
123.04444	4.4
123.08083	7.0
123.11750	3.2
125.09653	7.0
127.03925	11.9
128.06288	6.0
129.05556	2.4
129.07013	19.9
130.07814	2.7
131.04990	1.8
131.08575	32.6
133.06529	4.8
133.10138	43.6
135.08051	5.1
135.11714	11.1
137.09647	5.5
141.07066	4.4
141.39375	1.7
142.07797	5.8
143.08571	11.1
145.06517	4.2
145.10118	27.3
147.08072	4.3
147.11694	28.3
147.12804	3.1
149.02390	2.6
149.09634	11.4
149.13297	3.7
151.11156	1.8
153.12883	2.2
155.08632	8.3
157.10133	19.5
159.08087	3.7
159.11682	14.0
161.09613	4.6
161.13283	7.6
163.11200	11.8
165.09140	2.6
165.12810	5.0
167.08649	2.6
169.10178	7.7
171.08115	1.9
171.11702	8.3
173.04527	5.3
173.09653	3.7
173.13335	5.5
175.11093	8.9
177.12761	4.3
179.14302	15.4
181.10216	2.5
181.12253	3.7
183.08205	2.6
183.11740	7.5
184.07358	2.9
185.13335	5.3
187.11156	3.3
187.14989	3.0
191.10706	4.2
193.12228	22.0
195.11809	3.4
197.13312	4.2
197.28481	1.7
207.11806	3.2
211.13248	31.0
211.14952	2.4
217.15678	2.4
219.13811	2.3
227.12868	7.7
229.14429	2.3
239.18156	3.6
247.20616	2.5
256.26389	4.0
257.18979	9.6
267.15933	8.5
273.15021	3.8
273.18488	2.1
275.20071	99.2
276.20596	2.6
283.15619	2.0
285.17111	4.7
293.21179	6.7
331.22559	3.9
349.23813	13.8
355.17679	7.3
363.23163	1.7
383.22293	2.7
411.20273	7.9
431.29477	2.6
449.30447	2.9
461.28891	2.6
513.36066	2.3
523.34155	4.7
541.35309	34.0
559.36139	6.8
685.39624	9.1
703.40350	75.3
704.40479	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59820	0.1
54.92435	0.1
55.05502	0.1
55.32030	0.1
56.05037	1.0
57.07063	0.1
58.06621	0.5
58.40895	0.1
59.07384	0.1
60.08163	7.6
63.49795	0.1
67.05499	0.3
67.52171	0.1
69.07061	0.1
69.14540	0.7
69.14941	0.2
70.06602	0.2
71.07372	3.9
71.08601	0.1
71.74844	0.1
79.05467	0.1
81.07052	0.4
85.62767	0.1
86.09705	34.6
87.10042	0.2
89.06036	0.2
91.05490	0.2
93.07042	0.2
95.08615	0.2
98.64706	0.1
98.98463	4.2
104.10741	3.0
105.07034	0.1
107.08618	0.1
116.99534	0.1
119.08566	0.1
125.00003	23.7
125.22220	0.1
126.00351	0.1
143.01057	0.2
150.30490	0.1
184.07338	100.0
185.07678	0.8
232.21448	0.1
269.17172	0.1
311.25824	0.1
446.23010	0.2
478.33209	0.1
496.33771	0.1
505.38568	0.1
519.39801	0.1
702.47028	6.0
703.47168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	3.1
53.03950	19.7
55.01860	9.6
55.05517	39.5
57.03450	15.0
57.07074	6.5
59.02988	2.7
61.02933	15.4
65.03938	7.3
67.05512	79.1
69.03438	46.0
69.07075	25.7
70.21568	2.8
71.04996	13.6
73.02922	13.1
79.05499	86.9
81.03425	71.0
81.07063	75.0
83.04978	24.1
83.08636	11.6
85.02916	30.1
85.06554	5.4
87.04462	3.6
91.00758	2.8
91.03961	6.5
91.05492	79.3
91.06034	6.3
93.07059	66.0
95.01361	3.1
95.04973	23.2
95.08607	54.5
95.09176	4.5
97.02907	33.7
97.06544	5.4
97.10172	8.8
98.20747	9.6
99.04466	9.6
105.07043	70.7
107.04977	13.2
107.08596	32.1
108.68211	3.0
109.02895	11.4
109.06514	8.3
109.10171	18.7
110.83420	2.9
111.04461	5.3
111.08093	4.4
115.05471	7.8
117.07014	30.9
119.08591	51.8
121.06507	6.3
121.10152	19.7
123.08067	9.1
125.09628	5.1
127.03931	12.8
128.06227	11.4
129.05489	7.4
129.07018	35.3
130.07814	4.7
131.08588	47.3
133.10136	24.7
135.08083	6.1
135.11734	11.1
137.09633	4.0
141.06990	13.4
142.07796	7.6
143.08554	31.3
145.06534	7.4
145.10150	32.8
147.08104	5.7
147.11662	19.4
149.09639	4.4
149.13231	5.0
153.06976	5.2
154.07790	4.6
155.08536	26.1
156.09337	3.0
157.06517	3.0
157.10141	22.8
159.08122	5.1
159.11703	24.1
161.05846	3.6
161.09636	5.3
161.13286	11.2
163.11252	4.7
165.07019	6.3
167.08633	12.4
169.10139	35.4
171.08139	5.1
171.11703	29.6
173.04495	23.2
173.09663	5.5
173.13287	13.3
177.12770	3.1
179.08612	6.8
180.09488	3.4
181.10135	22.6
183.08124	3.3
183.11723	24.7
185.13260	9.9
187.11209	4.0
187.14828	5.1
193.10167	10.9
194.11092	4.0
195.11731	16.6
197.09612	4.9
197.13245	17.5
199.14900	7.4
205.10202	4.8
207.11749	8.7
207.13832	9.5
209.13248	14.8
211.14856	7.3
221.13287	7.2
223.14851	8.7
233.13374	5.1
235.14844	7.6
239.40306	3.2
241.19643	3.3
259.20621	5.1
279.15714	4.4
281.17404	14.9
283.20825	4.0
287.16486	2.9
287.20215	3.3
295.20700	3.1
297.16962	3.2
313.21616	5.8
325.21613	3.4
333.24228	5.0
367.22510	7.8
377.24670	3.2
387.26486	3.7
447.32678	16.3
465.33572	9.4
483.34720	4.7
503.35312	3.5
513.35883	3.8
521.36243	11.5
529.38580	3.7
537.35468	4.9
539.29456	5.4
539.37384	100.0
541.39075	4.6
551.37384	4.2
557.38269	8.7
562.36456	3.7
581.37775	3.7
647.39020	6.4
665.39783	10.0
683.41162	11.5
701.42700	84.0
726.30096	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01873	0.5
55.05511	1.1
55.71998	0.5
55.91675	0.4
57.03432	1.4
59.04999	0.6
61.02930	4.0
67.05505	3.9
69.03426	2.9
69.07065	1.5
71.01363	0.7
71.05000	1.2
71.48812	0.6
73.02914	2.3
79.05495	3.5
81.03419	3.9
81.07073	3.0
83.04974	0.7
83.08640	1.3
85.02907	4.6
85.06550	0.5
87.04497	0.7
91.03973	2.0
91.05489	3.1
93.07041	4.0
95.04976	0.9
95.08610	1.0
97.02908	3.6
97.06538	1.5
97.10193	1.2
99.04487	1.0
101.02379	1.5
101.05938	0.4
103.03984	0.6
105.07050	2.0
107.04926	0.5
107.08568	2.6
109.02896	1.2
109.10172	1.0
111.08110	0.5
115.05548	0.4
119.08606	1.9
121.06535	0.4
121.10212	1.8
125.09634	0.5
127.03934	1.4
129.07022	0.8
131.08578	1.1
133.10143	0.8
135.11702	3.2
137.09639	0.5
145.10162	1.2
147.11732	0.9
149.09673	1.2
157.10170	0.6
161.09644	0.4
163.11232	0.6
175.11195	0.5
181.12317	0.9
185.09532	0.4
193.08604	1.9
193.12294	0.9
203.05351	0.5
221.11752	0.9
225.14816	0.7
243.08501	2.1
258.76849	0.4
267.15970	0.7
276.64883	0.5
283.15219	3.0
339.18015	0.6
382.00885	0.4
392.77972	0.4
439.19498	8.2
469.20901	0.6
501.23123	7.3
536.43085	0.4
537.30194	0.8
699.35632	100.0
700.35938	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06029	0.4
54.81447	0.3
55.01866	0.5
55.05503	0.9
57.21041	0.3
65.93044	0.4
67.05499	1.2
69.01512	0.3
69.03408	0.3
71.50037	0.6
77.50536	0.4
79.05510	1.0
81.03432	0.8
81.07063	1.3
85.06519	0.4
90.20707	0.5
91.05486	0.8
92.70816	0.4
93.07051	1.4
94.50125	0.4
95.04970	0.7
95.08632	0.5
100.71155	0.4
105.07040	1.0
107.04908	0.5
115.05515	0.4
119.08611	0.4
163.11142	0.4
171.14021	0.4
184.07352	0.5
185.04277	0.7
324.40588	0.4
347.09521	0.9
537.30402	18.1
538.30609	0.7
546.43951	0.4
699.35620	100.0
700.35962	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	699.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05909	0.3
53.03947	0.8
55.01874	0.6
55.05506	1.2
57.03439	1.7
61.02924	3.7
67.05508	5.3
69.03448	3.2
69.07079	0.5
69.56701	2.4
71.01344	0.4
71.04997	3.3
73.02921	2.7
79.05504	2.9
81.03434	4.1
81.07058	2.8
83.04984	1.1
83.08637	1.1
85.02911	6.2
91.03955	2.4
91.05492	3.2
93.07050	2.5
95.04978	1.4
95.08604	1.4
96.74416	0.4
97.02910	3.6
97.06559	0.9
97.10228	0.4
99.04469	1.2
101.02392	1.5
103.03893	0.4
105.07053	1.7
107.04981	0.6
107.08617	1.8
109.02850	0.5
109.06541	0.4
109.10174	2.5
111.08052	0.8
117.07052	0.6
119.08597	2.2
121.10175	1.2
125.09593	0.5
127.03947	1.6
129.07054	0.9
131.08540	1.0
133.10181	0.8
135.11696	1.6
137.06003	0.5
137.09645	1.6
145.10193	1.0
147.11754	0.5
149.09650	0.6
163.11266	0.6
169.12288	0.5
175.11227	0.8
193.12253	0.9
211.13445	0.7
229.14494	0.5
233.24860	0.5
243.08484	2.1
243.16051	0.6
251.12436	0.6
253.14188	0.9
256.40533	0.4
267.15747	0.5
309.16968	0.7
439.19470	0.8
469.20517	6.0
471.22104	6.8
472.22354	0.6
493.56177	0.5
591.38263	0.4
606.47510	0.4
699.35657	100.0
700.36255	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	698.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05519	4.5
56.05028	3.1
57.07076	4.1
58.06604	1.2
60.04509	1.9
62.08277	0.9
67.05183	1.0
67.05511	11.0
69.03407	1.0
69.07069	4.7
70.06585	2.3
70.67812	0.8
71.08613	2.5
71.50208	1.1
79.05502	7.7
80.05005	2.4
81.05785	2.3
81.07057	8.2
81.44701	0.8
82.06589	6.2
83.08620	2.9
85.02892	1.9
85.10169	1.2
91.05477	7.5
93.07040	6.3
94.06570	20.0
95.07351	3.6
95.08624	7.6
96.08109	3.2
97.10180	0.9
105.07027	5.7
107.08585	3.6
108.08098	2.3
109.10146	1.9
115.82729	0.9
119.08601	3.8
121.10127	2.4
122.09655	2.7
123.11648	0.9
133.10133	1.8
135.10422	1.4
135.11708	2.0
160.63545	0.9
209.29463	1.0
219.20981	0.9
229.65350	1.1
245.22707	2.3
250.25325	5.9
256.26297	3.0
262.25302	100.0
263.25562	3.2
264.26221	1.3
280.26300	7.8
488.48169	1.5
492.70090	0.9
500.48315	9.0
502.49948	2.0
518.49298	18.2
519.50824	0.9
600.49896	0.8
680.54633	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	697.3764
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
51.68752	0.5
53.03948	0.6
55.01878	0.8
55.05515	1.3
57.03442	2.1
60.14585	0.6
61.02932	4.0
65.03946	0.7
66.14221	0.5
67.05509	5.7
68.19131	0.6
69.03432	2.4
69.07076	1.1
71.04987	3.5
71.49126	0.8
71.52872	0.5
73.02919	2.9
76.63413	0.5
79.05501	3.7
81.03426	1.8
81.07060	7.3
83.08617	1.4
84.52200	0.6
85.02909	4.9
85.06557	1.0
91.03966	2.0
91.05495	3.4
92.86752	0.6
93.07056	4.6
95.05001	0.8
95.08629	2.3
97.02899	3.9
97.06550	1.4
99.04472	0.8
101.02397	2.0
105.07059	2.3
107.08619	3.4
109.02899	1.2
109.10185	2.3
111.08096	1.0
117.07041	1.6
119.08619	1.7
121.10162	1.5
123.11764	0.8
127.03939	1.4
131.08598	1.2
133.10161	2.3
135.11732	1.1
137.09691	0.7
138.20152	0.5
145.10149	0.9
147.11725	0.9
149.13274	2.4
151.11243	1.2
151.60463	0.6
159.07997	0.5
159.11713	1.5
172.07713	0.7
187.13391	0.6
219.14191	0.5
243.08434	1.8
267.15948	1.0
269.17551	0.8
453.20999	6.7
485.23779	6.7
625.32056	5.5
697.37726	100.0
698.38049	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	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
57.03426	3.3
61.02926	6.3
64.06775	1.2
65.39411	1.2
67.05507	13.2
69.03417	4.0
69.07081	1.7
69.42573	9.2
73.02901	4.8
75.07198	1.3
79.05484	4.6
80.36435	1.0
81.03412	3.2
81.07063	7.4
83.04957	1.3
83.08608	2.8
85.02921	6.8
91.03941	4.3
91.05489	3.6
93.07030	5.3
95.08585	1.7
97.02885	6.1
99.04439	2.1
101.02364	1.9
105.07023	2.1
107.08595	3.4
109.06517	1.2
109.10163	11.0
119.08557	3.2
121.10143	2.4
127.03893	3.2
131.08504	2.1
133.10191	2.3
135.11687	1.1
155.10672	1.5
173.09547	1.1
173.11703	4.6
181.04785	1.3
185.04210	2.8
229.14372	1.8
233.83003	1.2
235.12936	1.2
243.08463	4.5
301.08969	5.3
315.10458	2.4
369.15085	1.8
371.16791	4.6
373.11206	2.3
385.18222	3.0
413.17813	20.6
425.21451	2.4
429.17380	1.9
453.20798	4.8
463.26663	1.4
484.22797	2.5
485.19943	5.9
497.23212	1.3
499.21423	3.4
514.58118	1.2
516.21893	1.8
541.26141	2.5
553.29651	2.5
567.31512	20.5
568.31622	1.6
596.31525	7.3
597.32965	1.2
625.32001	100.0
626.32062	4.9
628.30579	4.4
651.33081	7.5
653.35400	2.2
697.34106	33.3
697.61017	1.3
698.33685	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64590	0.3
53.03936	0.6
53.31757	0.3
55.05528	0.8
57.03436	1.6
59.05046	0.4
60.67761	0.4
61.02929	3.6
67.05511	2.0
68.97051	0.3
69.03423	2.1
69.07078	0.6
71.04994	0.9
71.50038	0.5
71.72005	0.4
73.02929	2.8
79.05492	2.2
81.03417	4.6
81.07057	2.0
83.04981	1.2
83.08630	1.4
84.81253	0.4
85.02908	6.3
91.03968	2.0
91.05494	3.3
93.07053	1.5
95.04980	2.2
95.08610	0.8
97.02902	4.3
99.04464	0.8
101.02401	1.5
105.07037	2.1
107.04988	0.7
109.02872	0.6
109.06506	0.5
109.10132	0.5
111.04485	0.3
111.08100	0.6
119.08591	1.9
121.10159	0.9
127.03947	0.9
129.07025	1.0
131.08557	1.0
133.10156	1.4
137.05980	0.6
147.11697	1.4
149.09656	0.8
157.10182	1.2
175.11226	1.2
184.07362	0.8
185.04202	0.5
193.12187	1.9
211.13367	1.1
219.91307	0.3
241.74945	0.3
243.08502	2.0
251.12589	1.5
307.15167	0.6
469.20471	11.5
606.49854	0.4
697.34064	100.0
698.34216	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.04096	0.7
55.05521	1.6
55.48792	0.7
57.03428	3.3
61.02937	4.2
67.05510	5.8
69.03438	3.1
69.07069	2.0
69.81457	3.7
72.48904	0.7
73.02916	3.3
79.05499	3.2
81.03415	2.3
81.07054	5.4
83.01090	1.3
83.04987	1.7
83.08604	1.2
85.02894	5.4
91.03947	4.7
91.05484	3.0
93.07065	2.6
95.04947	1.5
95.08620	2.0
97.02897	4.1
97.06507	1.7
97.10149	0.8
99.04469	1.3
101.02389	2.3
105.07040	2.3
107.08601	2.4
109.02828	1.3
109.10206	1.8
111.08044	1.0
115.03989	0.9
119.08574	1.0
121.06553	1.0
121.10141	1.0
127.03917	1.7
129.05504	1.7
131.08580	1.3
133.10167	2.1
135.11710	1.2
145.10175	0.9
149.13239	0.7
157.10143	1.4
159.11765	1.5
168.71739	0.8
181.04755	1.1
185.04237	6.1
195.13805	1.8
199.05893	1.1
201.03751	2.3
201.14929	0.8
209.08151	1.1
227.05414	1.2
235.13104	2.6
241.06848	0.8
243.08522	4.1
249.67336	0.7
251.12578	1.9
261.14719	2.6
269.17636	1.3
273.90115	0.7
275.16183	1.0
291.10754	0.9
301.08951	17.4
305.17343	0.9
315.10641	4.7
327.10626	1.5
333.16800	1.9
351.17715	1.4
355.41754	0.8
357.15100	1.2
371.16974	4.0
373.11008	10.2
373.15179	1.0
379.17520	1.9
383.16763	2.1
385.18387	8.3
387.12631	2.7
415.11588	1.2
417.26193	1.0
423.19916	1.5
425.21420	2.8
429.17355	2.0
443.18912	1.3
453.20905	18.6
453.26688	1.4
457.20428	3.6
463.26312	1.0
469.20688	8.6
471.22519	1.3
483.22034	2.4
484.22665	5.0
485.20099	1.5
512.22546	5.2
516.22021	1.5
525.23187	8.4
539.24915	2.2
553.26068	1.6
568.32275	2.1
595.30798	5.5
596.31769	3.7
609.32672	0.8
616.88574	0.8
635.33777	0.9
637.31866	1.8
651.33325	2.9
679.33411	3.9
680.33960	1.6
697.34015	100.0
698.34320	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	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.05516	2.3
56.00255	1.0
57.03434	2.9
61.02930	4.0
67.05511	7.6
69.03433	3.0
69.07069	1.2
71.05003	2.7
71.49064	1.4
73.02925	4.2
79.05509	4.6
81.03427	3.4
81.07063	6.9
83.01105	1.2
83.04985	1.6
83.08604	2.7
85.02911	6.2
91.03976	2.6
91.05488	3.8
93.07050	6.5
95.04935	1.4
95.08609	2.0
97.02902	3.6
99.04473	1.4
101.02395	1.3
105.07062	2.6
107.08617	3.2
109.02863	1.1
109.06550	1.4
109.10174	4.2
110.10551	1.6
115.03983	1.0
117.05482	1.6
117.07030	2.1
119.08626	2.3
121.10172	2.0
127.03911	2.3
129.05516	2.4
133.10161	1.7
135.08034	1.4
135.11745	1.5
145.10245	1.2
149.13327	1.2
156.03842	1.1
157.10065	1.2
159.11763	1.6
163.11234	1.5
173.11818	1.1
185.04195	6.8
199.05791	1.6
201.03741	2.8
202.25999	1.0
214.78159	1.0
235.13068	4.4
241.06851	1.0
243.08411	5.5
244.93370	1.1
261.14676	1.3
273.18445	1.0
275.16052	1.1
301.08929	17.6
315.10553	4.6
327.10648	2.0
329.12195	1.5
333.16751	4.2
341.12122	1.7
343.13577	1.7
347.18439	1.9
351.18143	1.2
355.13800	2.0
357.15195	1.4
369.15149	1.0
371.17026	1.9
373.10983	9.8
373.14328	0.9
379.17441	3.7
383.16840	4.2
385.18250	9.6
387.12708	3.1
401.14417	1.2
417.26147	3.7
423.19946	1.2
425.21530	1.6
429.87445	1.3
442.28976	1.3
443.18808	9.1
453.20999	19.5
453.26794	2.0
457.20770	1.7
463.26614	1.6
468.30429	1.3
469.20444	8.3
483.22180	3.5
484.22586	1.1
512.22485	2.3
525.23175	7.9
527.28247	1.9
539.24731	2.1
553.26825	2.0
567.31500	29.5
579.31122	1.6
595.30792	6.7
596.31445	1.5
609.32526	1.4
625.32190	2.3
637.31934	2.3
651.33551	30.1
652.33795	1.9
663.33368	1.3
679.32489	2.4
695.32520	1.8
697.34021	100.0
698.34680	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.05508	8.4
57.03426	2.2
57.07091	18.0
66.61407	2.1
67.05505	18.0
69.07069	8.8
71.08636	16.4
79.05520	11.4
81.03429	28.6
81.07070	20.5
83.05003	4.8
83.08611	12.1
85.10190	6.2
91.05488	12.2
93.07069	10.2
95.04982	9.7
95.08611	15.3
97.06578	2.3
97.10169	5.1
98.21564	2.9
105.07021	10.1
107.04956	3.5
107.08605	4.1
109.10147	5.0
112.51178	1.9
117.07011	2.5
119.08572	9.5
122.51295	2.1
129.07051	6.1
131.08603	6.1
133.10135	5.2
135.08069	3.0
135.11742	3.0
135.27797	2.0
145.10109	4.0
147.11720	2.6
157.10110	3.0
175.11183	3.1
184.07446	3.0
193.12318	5.8
236.16504	3.6
275.19965	3.5
463.30554	3.4
505.38940	100.0
506.39026	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	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.32085	1.1
55.01864	2.4
55.05514	16.5
57.03447	8.4
57.07070	9.8
61.02651	1.7
61.02930	22.8
65.03933	2.0
67.05511	68.7
69.03432	4.0
69.06734	2.2
69.07073	28.3
70.18125	5.4
71.04971	2.1
71.08640	6.5
73.02932	9.1
79.05065	2.2
79.05492	24.0
81.03408	2.0
81.07063	85.7
83.04977	2.0
83.08625	20.6
85.02446	2.3
85.02915	32.2
85.06502	2.5
85.10199	2.8
88.32484	1.4
91.03965	25.2
91.05483	14.3
93.06489	1.9
93.07050	27.2
95.04989	1.5
95.08613	73.8
97.02898	16.8
97.06537	6.8
97.10177	8.9
99.04355	1.5
99.08090	5.0
105.07044	8.8
107.08597	18.3
109.10164	37.8
111.08130	3.2
111.11725	2.6
119.08591	13.7
121.10159	21.8
123.11711	21.5
123.49143	1.4
125.09652	3.2
125.13256	2.0
127.03928	7.8
127.11166	1.6
133.10133	14.1
135.11694	15.7
135.43015	1.3
137.09651	1.8
137.13266	8.9
139.11140	2.7
141.12759	4.6
145.04947	13.4
147.11699	10.5
149.13283	11.2
151.11221	2.1
151.14795	6.4
155.14284	3.4
161.13255	16.1
163.06036	19.7
163.14847	12.1
165.16370	11.7
175.14836	9.9
177.16400	1.8
179.14265	1.5
179.16594	1.3
179.17888	6.7
189.16357	4.4
203.17964	2.3
245.22672	68.1
263.23724	100.0
265.25217	2.0
281.24615	2.7
305.11346	1.5
337.27390	71.0
355.28482	12.5
357.27713	1.5
499.32608	3.6
646.55487	1.4
696.36877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01883	0.7
55.05500	1.5
57.03443	1.8
61.02932	4.3
65.03939	0.5
67.05513	4.9
68.05858	0.4
69.03441	2.5
69.07066	1.2
71.04988	1.6
71.49795	0.7
72.10429	0.4
73.02922	3.1
79.05502	3.1
81.03433	4.0
81.07056	3.6
83.04971	1.1
83.08620	1.5
85.02919	5.8
86.09740	1.2
91.03960	1.5
91.05503	3.8
93.07065	3.9
95.04441	0.4
95.04982	2.3
95.08619	2.4
97.02901	3.3
97.06569	0.6
97.50073	0.4
99.04478	1.0
101.02383	1.2
105.07074	2.3
106.52060	0.4
107.04970	1.4
107.08601	2.5
109.02910	0.8
109.10180	1.5
111.08081	0.9
113.06042	0.6
117.07034	0.8
119.08583	2.2
121.06529	0.8
121.10179	1.4
125.00034	1.1
127.03940	1.2
129.07028	1.0
131.08601	1.3
133.10173	1.9
135.11697	2.4
145.10144	1.7
147.11717	1.2
149.09651	0.6
157.10178	1.4
163.11197	3.0
175.11234	0.8
181.12334	0.8
184.07359	4.7
185.04172	0.4
185.07724	0.9
193.12263	1.7
194.12654	0.5
209.38112	0.4
211.13373	1.3
212.13620	0.8
216.67073	0.6
219.09984	0.5
227.12811	1.7
243.08484	1.6
249.11038	6.3
251.12611	0.8
270.18240	0.5
305.13669	1.6
422.26248	0.6
440.27420	1.5
462.29538	0.8
465.28787	0.5
466.29126	1.3
467.19025	7.2
469.20541	9.2
497.31168	0.6
498.31470	1.5
562.72339	0.6
590.90198	0.5
695.32501	100.0
696.32935	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	695.3248
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03929	0.3
55.01862	1.0
55.05497	1.7
57.03443	2.0
60.08162	0.6
61.02928	3.7
65.93030	0.4
67.05502	3.5
69.03440	2.8
69.07067	0.9
70.75118	0.7
71.01356	0.5
71.04993	1.0
73.02924	3.2
79.05501	3.2
81.03424	4.9
81.07060	3.1
82.47297	0.3
83.01323	0.7
83.04993	1.1
83.08632	1.5
85.02904	5.8
86.09705	2.4
91.03954	2.4
91.05482	2.9
93.07046	3.1
95.04967	1.5
95.08618	1.5
97.02898	4.2
97.06508	0.8
99.04459	0.9
101.02383	1.9
103.03815	0.3
105.07033	2.0
107.04961	1.0
107.08599	1.2
109.02886	1.0
109.06511	1.0
109.10193	1.0
111.08090	1.1
115.03911	0.4
116.14741	0.3
117.07020	1.0
119.08601	1.5
120.08999	0.4
121.10175	1.5
123.08118	0.7
123.11707	0.3
125.00022	1.4
127.03914	1.4
128.28572	0.4
129.07021	0.5
131.08591	1.1
133.10120	1.0
135.11708	1.1
145.04950	0.5
145.10139	1.1
145.34760	0.3
147.11636	1.0
149.09584	0.6
157.10161	0.8
163.03889	0.5
163.11185	2.6
173.09698	0.4
175.11224	0.4
181.12215	0.5
184.07358	7.5
185.04312	0.4
185.07733	1.3
193.12296	1.3
211.13388	0.8
243.08379	1.9
251.12721	0.6
268.16129	0.6
269.17487	0.6
283.15497	0.8
305.13565	0.4
329.69064	0.4
331.23465	0.4
361.22360	0.4
440.27374	0.7
461.29178	0.4
462.29395	0.9
466.29187	0.7
467.18878	8.4
469.20599	5.5
498.31180	0.7
532.38580	0.3
533.26428	0.4
609.69098	0.4
695.32452	100.0
696.32849	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	695.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
53.03949	3.7
55.01877	0.8
61.02925	0.7
63.18523	0.5
66.50886	0.5
67.05490	1.7
69.03445	3.8
70.67320	1.5
71.04993	1.1
72.28736	0.6
77.03927	1.2
78.94946	0.5
79.05499	3.0
81.03413	2.0
81.07041	0.5
85.02905	2.2
91.05478	3.2
93.07082	2.9
95.04972	60.0
96.05322	0.6
97.02895	10.8
103.05475	3.9
105.04483	1.7
107.04964	19.1
109.02889	4.5
109.06476	0.8
115.05455	0.8
117.07025	2.3
120.35318	0.5
121.06509	8.2
123.04439	12.3
125.02352	24.5
125.05988	2.7
127.04020	0.7
131.04932	1.6
131.05896	0.5
133.06415	0.7
135.04440	1.7
143.07324	2.1
144.08090	100.0
145.08459	1.2
149.05984	11.2
151.03909	55.5
153.05469	3.5
155.06064	0.7
158.09709	1.0
159.04424	2.6
162.06726	0.6
163.03976	0.7
170.09615	1.2
172.07643	0.5
177.05493	7.1
181.08821	0.7
195.06538	13.8
224.10696	0.8
256.52603	0.5
268.09683	5.3
313.11743	0.9
338.13861	1.1
373.13791	1.4
387.17151	0.6
419.19775	1.3
463.18677	8.8
463.24719	0.7
500.19131	4.7
501.20377	1.9
533.23029	1.8
566.25781	0.6
619.25934	3.0
645.24414	1.3
651.29053	4.6
663.25476	6.9
677.27142	4.1
695.28131	72.7
696.28424	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	0.7
69.03434	2.2
71.04985	0.9
79.05497	3.0
81.03393	1.4
85.02926	3.2
86.09730	1.5
89.66904	0.7
91.05481	1.2
95.04980	10.8
97.02914	3.4
100.11315	1.2
103.05494	1.6
106.27157	0.9
107.04971	5.9
109.02893	1.5
109.06541	0.9
117.07083	0.8
118.06592	1.5
120.08112	14.3
121.06509	1.2
123.04491	2.2
125.02318	5.9
129.07027	8.9
130.06534	10.4
135.04457	2.7
136.07642	1.6
142.06584	0.8
143.07349	3.4
144.08095	22.9
145.39732	0.8
149.05983	1.3
151.03918	11.0
155.07285	1.0
156.08102	64.9
157.08882	100.0
158.09674	18.6
163.03943	3.0
164.07074	11.7
167.07268	2.2
168.08084	4.1
169.08980	1.1
170.06029	0.9
170.09692	2.5
177.05533	1.7
180.08110	8.1
181.08873	3.1
182.09680	1.8
183.06798	1.2
184.07639	2.3
184.11287	1.1
186.09158	0.9
192.08060	0.9
193.08820	0.8
194.09688	14.9
195.06596	2.9
196.09695	22.4
196.11459	1.2
197.08463	1.8
198.09219	2.7
204.08206	2.9
206.09729	1.1
207.06848	1.4
212.10847	2.0
221.08369	1.6
222.09172	19.6
223.09814	1.7
232.07478	0.9
240.10265	5.8
250.08586	4.8
251.09607	0.9
268.09705	44.9
269.10220	1.5
274.12390	1.4
292.13654	1.2
320.12830	5.5
333.14447	2.2
338.13885	26.1
352.18085	0.9
354.13480	1.0
373.14133	2.6
403.22818	1.5
463.18707	74.2
464.19199	2.3
500.19232	19.5
533.22852	12.1
663.26007	1.7
695.28156	66.4
696.28461	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	694.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.0
53.03957	3.6
54.88499	0.7
55.01863	2.8
55.05239	0.9
55.05512	16.6
57.03432	4.9
57.07088	1.2
65.03938	2.9
67.05508	50.8
69.03415	1.2
69.07069	16.6
71.04991	8.4
71.08624	1.0
73.06580	0.7
77.03909	1.0
78.93692	0.8
79.05496	36.6
81.03416	0.9
81.07059	46.8
83.04971	2.8
83.08620	9.2
85.06534	1.9
91.05482	25.1
93.07046	42.5
94.07369	1.2
95.04972	3.9
95.08611	27.6
97.06526	7.3
97.10163	5.3
98.21535	1.7
98.98474	2.2
99.08121	1.8
103.05491	0.9
105.04526	1.9
105.07033	18.2
107.04978	1.9
107.08600	22.7
109.06516	3.0
109.10155	13.1
111.08085	2.9
113.46937	0.7
114.85518	0.7
117.07023	9.5
119.08585	11.2
121.06506	1.1
121.10142	13.6
123.08052	1.8
123.11707	2.8
125.09625	3.4
129.07059	1.9
131.08578	11.0
133.10144	11.1
135.08044	2.1
135.11690	8.8
137.09654	1.0
139.11180	0.8
141.06882	1.1
142.07808	0.9
143.08589	1.6
145.10123	8.1
147.11659	4.7
149.09648	2.9
149.13266	7.5
151.11223	1.9
157.10123	2.0
159.11690	6.9
161.13287	2.8
163.11247	2.5
163.14801	0.9
169.10065	1.3
171.11729	2.7
173.11795	1.6
173.13235	3.8
177.12802	1.7
183.11737	1.4
185.13293	2.2
187.14856	0.8
189.11125	1.2
195.13829	2.4
199.14854	1.6
227.12843	3.4
229.14429	4.2
229.19518	1.0
239.17912	1.0
243.21234	1.1
257.18991	3.7
261.04828	0.8
261.22263	4.4
275.20078	11.8
289.21823	0.8
293.21457	0.9
307.22687	1.1
331.23163	1.0
335.25809	22.7
336.26315	0.8
349.23706	5.7
400.76059	0.9
467.46393	0.9
478.12125	0.8
489.35748	4.8
497.01453	0.8
505.34958	1.5
522.44482	1.0
529.38892	100.0
530.39331	5.0
596.47546	4.1
609.45227	7.2
634.34546	0.9
641.48102	3.7
694.34369	5.2
694.46887	7.2
695.46613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
53.63886	0.8
55.01872	2.0
55.05514	8.7
56.77744	0.9
57.03157	1.0
57.03438	15.9
65.03943	1.1
67.05511	29.3
69.03436	2.4
69.07080	7.0
69.23793	2.0
69.24197	6.5
71.01347	2.4
71.04997	4.5
73.02927	1.3
79.05080	1.7
79.05501	27.7
81.03424	47.1
81.06594	1.4
81.07059	18.8
83.05005	6.4
83.08625	12.8
85.02898	2.7
85.06550	2.7
86.09702	1.5
91.03977	0.9
91.05484	17.6
93.07055	30.6
95.04971	16.3
95.08612	6.2
97.02901	2.2
97.06548	9.1
97.10188	6.4
105.07043	7.9
107.04977	4.8
107.08611	21.4
109.06544	1.7
109.10162	5.2
109.39993	0.9
109.82722	0.9
111.04430	1.4
111.08081	5.3
117.07022	3.9
119.08583	10.0
121.06509	2.9
121.10163	5.7
122.09003	0.8
123.08001	1.0
124.99995	2.0
125.09636	2.1
129.07013	5.1
130.07784	1.0
131.08588	5.0
133.06493	2.1
133.10136	5.1
135.08115	1.7
135.11700	32.7
137.09610	3.2
142.07722	0.9
145.10146	5.5
147.08040	2.6
147.11713	4.4
149.09633	2.4
153.12726	1.1
157.10176	7.2
163.11169	5.0
165.12807	1.8
175.11188	4.8
181.12263	6.3
184.07335	4.7
193.12268	14.7
211.13278	1.8
255.15935	68.9
256.16385	1.1
267.15939	42.7
269.17590	1.2
403.24936	1.9
421.25815	7.5
447.27463	100.0
448.27792	3.9
465.28537	6.2
467.19421	1.2
479.29691	2.9
489.28555	1.9
497.31274	1.7
574.99414	1.0
694.30817	3.9
695.32739	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01851	2.9
55.05306	1.3
55.05511	13.6
57.03443	13.4
59.05001	2.3
60.08155	2.7
61.02913	4.8
65.03933	3.3
67.05505	100.0
69.03417	4.5
69.04325	1.2
69.07072	10.2
71.04613	1.4
71.04993	28.7
71.07377	2.4
79.05495	31.0
79.48080	1.4
81.03419	52.7
81.06599	2.1
81.07057	39.0
83.04986	15.9
83.08627	21.4
85.02914	21.6
85.06529	6.3
86.09327	1.3
86.09713	15.1
88.32112	1.4
91.03938	2.3
91.05476	45.2
92.44033	1.3
93.07042	28.9
95.04967	24.5
95.08596	19.6
97.02879	4.6
97.06518	5.5
97.10146	3.4
97.78378	1.4
98.98470	1.7
99.08078	2.0
105.04228	1.4
105.07030	24.3
107.04943	8.1
107.08597	14.6
109.06503	5.6
109.10159	72.2
110.10471	1.7
111.04417	2.5
111.08072	9.0
113.06018	2.8
117.06992	6.1
119.08588	26.3
120.18598	1.4
121.06483	2.4
121.10152	11.6
123.08025	2.6
123.11691	2.1
124.99976	10.6
125.09598	2.3
129.07007	11.5
131.08571	10.4
133.06500	3.6
133.10153	12.1
135.11681	10.8
137.09630	11.4
142.07695	1.3
145.10112	5.7
147.08022	2.7
147.11688	12.2
149.09615	5.0
151.11162	1.6
155.10645	5.3
157.10118	11.9
159.11751	1.3
163.11201	4.7
165.12743	3.1
165.34764	1.4
169.12186	2.2
173.11743	6.0
175.11171	12.2
181.12250	3.5
184.07336	44.1
193.12253	31.8
207.58060	1.3
211.13283	38.1
216.28952	1.6
229.14365	5.5
243.15836	2.4
255.15923	12.4
267.15900	18.6
269.17551	3.0
270.05087	1.5
285.16953	21.4
287.18506	23.4
320.73325	1.5
329.21017	2.1
391.07855	1.7
403.24979	2.1
421.25848	33.1
431.23093	1.4
439.26944	85.3
440.27045	4.0
447.27377	36.8
449.28308	1.9
453.28482	11.9
461.28799	2.9
465.28488	51.8
466.28778	2.2
479.30023	5.2
497.31052	51.4
498.31406	1.9
624.61884	1.6
644.35083	4.7
695.31476	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01862	1.0
55.05507	10.7
57.03443	5.3
57.07052	3.7
59.17011	1.2
61.02929	26.7
65.03934	2.3
67.05505	60.4
69.03415	4.1
69.07068	11.7
69.75615	5.4
71.05001	1.5
71.08612	2.0
73.02910	10.7
79.05493	40.0
81.03411	1.8
81.07053	64.0
83.04967	1.8
83.08614	7.1
84.06468	1.1
85.02905	30.9
85.06529	1.9
91.03429	1.5
91.03963	26.4
91.05475	18.6
93.07043	52.4
95.04958	1.8
95.08610	52.6
97.02896	14.4
97.06517	3.0
97.10148	3.9
98.20805	1.2
105.07032	20.3
107.08594	33.3
107.48763	1.2
109.06420	1.1
109.10157	26.9
111.08089	2.7
113.09631	2.3
117.07027	9.4
119.08572	12.1
121.10144	32.2
123.08092	1.4
123.11713	16.5
125.09644	3.0
127.03915	9.6
131.08578	17.8
133.10123	16.1
133.89217	1.1
135.10710	2.2
135.11691	32.1
137.09659	1.5
137.13263	5.9
139.11108	1.5
145.04982	12.8
145.10123	16.3
147.11702	12.2
149.09645	1.3
149.13264	23.0
151.11211	1.6
151.14803	1.9
159.11684	14.8
161.13222	8.9
163.06032	20.5
163.14847	15.3
165.12723	2.8
173.13271	13.6
175.14778	2.6
177.12724	1.4
177.16364	4.8
179.14317	3.5
187.14821	8.2
191.14296	1.5
201.16324	3.6
215.17853	2.5
219.17531	1.4
233.22610	2.9
243.21086	31.9
261.22141	100.0
262.22522	2.8
263.23560	1.6
279.23105	2.0
335.25760	17.1
353.26883	47.4
354.27036	1.2
359.29901	1.1
497.31131	1.4
681.42120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76879	10.3
69.19210	100.0
76.06977	8.3
89.56437	11.2
169.90292	8.9
182.88852	8.4
185.62199	10.3
276.72949	8.8
475.20975	9.8
519.31860	9.5
609.27020	21.2
622.27942	96.1
637.26147	15.6
638.27332	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01865	0.3
55.05507	0.7
56.05030	0.7
57.03441	0.7
58.06592	1.4
59.07392	0.8
60.08166	6.1
60.28992	0.2
61.02931	0.3
67.05508	1.8
69.03425	0.6
69.07065	0.5
70.01464	0.4
70.01868	0.6
71.04995	0.2
71.07383	3.0
79.05502	1.7
81.03422	2.5
81.07068	1.2
83.04978	0.8
83.08608	0.6
85.02925	1.2
86.09709	30.1
87.04443	0.2
91.05478	1.8
93.07034	1.7
95.04981	1.2
95.08623	0.9
97.02882	0.4
97.06549	0.3
98.98476	2.9
98.99081	0.4
104.10751	2.6
105.07038	1.0
107.04960	0.4
107.08612	0.6
109.06483	0.3
109.10206	0.5
111.08076	0.4
113.06023	0.3
119.08595	0.8
121.06506	0.3
121.10166	1.4
125.00010	19.8
129.07014	0.6
131.08580	0.9
133.10136	0.9
147.11700	0.5
149.09641	0.8
157.10115	0.3
163.11186	0.2
167.10678	0.3
175.11200	0.7
184.07347	100.0
185.07646	0.8
193.12248	1.2
211.13300	1.7
222.08896	0.8
229.14558	0.3
267.15967	1.1
269.13919	0.3
285.16949	1.6
287.14789	1.5
287.17780	0.4
333.66232	0.2
421.25427	0.3
439.26910	0.3
447.27328	0.2
479.26706	0.4
497.27243	2.1
694.35767	5.9
695.33221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01871	2.0
55.05516	28.4
57.03428	3.3
57.07074	8.5
65.03937	2.2
67.05509	17.6
68.05847	1.2
69.03423	2.2
69.07073	29.4
71.04996	2.4
71.08624	5.7
74.09758	0.9
79.05501	17.3
81.03423	17.2
81.07066	19.8
83.04982	6.5
83.08626	26.9
85.02921	9.4
85.06541	1.4
85.10180	2.0
86.09708	1.4
91.05490	20.3
93.07045	13.3
95.04990	7.3
95.08617	7.8
97.02899	1.8
97.06538	2.1
97.10178	17.0
98.98475	4.4
99.08096	1.2
102.88742	0.9
105.07047	11.6
107.04951	4.0
107.08601	5.5
109.06513	2.7
109.10149	4.0
111.08070	2.3
111.11718	3.4
111.89068	0.9
113.06036	1.0
117.07014	2.8
119.08583	10.8
121.06497	1.3
121.10148	5.3
123.08080	1.3
123.11708	2.5
125.00012	1.7
125.09653	1.4
129.07010	5.5
131.08606	6.4
133.06488	1.0
133.10159	7.8
135.08061	1.6
135.11746	2.8
145.10123	2.3
147.08098	1.8
147.11714	5.4
148.49315	1.0
149.09645	3.1
152.33597	1.1
155.01094	1.3
157.10164	5.6
163.11232	1.7
165.12752	1.1
175.11192	4.8
184.07364	6.9
185.07797	1.0
193.12285	11.8
209.11707	2.4
211.13319	15.0
215.61041	1.0
237.22179	4.8
267.16037	5.7
311.25858	5.1
480.45651	1.2
503.37314	9.3
521.38409	100.0
522.38843	4.1
681.63452	1.3
693.42804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	1.1
55.05509	2.4
57.03432	2.2
60.77224	0.5
61.02933	5.3
67.05510	7.0
68.05817	1.1
69.03419	2.7
69.07085	1.2
70.03570	1.1
71.01342	0.7
71.04991	1.8
73.02925	3.1
79.05498	4.1
81.03414	3.1
81.07059	5.6
82.07378	0.7
83.01345	0.7
83.04990	2.9
83.08624	1.9
85.02908	4.2
86.09717	1.0
91.03963	2.3
91.05487	3.6
93.07056	5.2
95.04967	1.7
95.08611	1.4
97.02904	3.5
97.06532	1.5
97.10183	0.8
99.04453	0.8
101.02394	1.4
101.85142	0.5
105.07035	2.0
107.04995	0.9
107.08589	3.3
108.08887	0.6
109.02882	1.3
109.06526	1.1
109.10174	2.1
111.04493	0.6
111.08075	0.6
115.03941	0.7
117.07040	1.4
119.08605	1.5
121.06513	0.9
121.10155	1.9
123.08061	1.8
125.00041	0.6
127.03925	1.6
127.27773	0.6
129.05467	0.6
131.08615	0.8
133.10127	1.0
135.08041	0.8
135.11685	2.6
136.12015	0.9
145.10123	2.6
149.13303	0.7
163.11197	4.0
181.12257	1.0
184.07373	1.6
191.10678	0.9
195.13863	0.6
209.11893	0.7
227.12880	1.3
243.08539	2.3
269.17578	1.6
270.17825	1.1
283.15488	1.8
284.15839	0.8
305.13922	0.5
407.88522	0.6
437.25479	1.0
438.25818	2.1
447.73792	0.5
463.26794	0.9
464.27515	2.0
467.18909	14.1
477.28616	0.9
478.28998	3.0
495.29404	1.0
496.29816	4.2
641.96802	0.6
679.38708	0.5
693.30890	100.0
694.31476	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	693.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05503	6.4
65.03941	13.1
67.05500	19.6
68.99780	1.7
69.03432	14.0
71.48873	2.2
82.06324	1.2
83.04984	69.7
85.02905	20.1
87.04471	1.7
91.05473	3.8
93.03411	38.9
95.04968	9.3
99.00824	8.4
102.71938	1.1
107.04956	8.5
109.02892	1.5
111.04446	100.0
112.04827	1.5
115.03955	3.2
117.01852	3.4
119.04968	8.0
121.02872	25.7
123.04448	1.8
129.04526	2.7
129.05482	47.7
135.04433	3.1
139.03906	69.4
143.56110	1.2
144.08121	2.3
147.04414	17.6
151.03885	2.5
157.04967	68.5
163.03888	12.1
165.07069	4.2
175.06029	51.6
179.08577	2.1
183.08006	4.1
189.06973	2.0
193.07214	1.3
203.03316	1.5
207.08145	8.2
211.07596	2.0
217.06552	2.2
229.08635	4.3
234.06764	1.3
235.07520	18.3
253.08539	7.5
263.07050	34.2
267.06763	2.1
273.06067	19.9
281.08066	26.7
291.06488	11.9
299.43048	1.1
309.07565	29.1
327.08655	6.4
377.08392	1.9
447.11417	11.0
483.12964	14.8
592.62885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01860	0.6
55.05515	2.0
56.05017	0.9
56.05829	0.3
57.03423	0.9
57.07059	0.9
58.06607	0.5
60.08166	6.5
62.36730	0.3
65.03923	0.4
67.05504	6.3
68.05829	0.9
69.03429	1.4
69.07065	2.1
69.50837	0.3
69.53239	0.7
69.53650	0.9
71.04985	0.9
71.07024	0.2
71.07370	3.6
72.49960	0.3
74.09698	0.6
79.05495	3.9
80.05842	0.6
81.03422	3.6
81.07056	7.7
82.03747	0.5
82.07372	0.8
83.04985	1.8
83.08624	1.4
84.05331	0.3
85.02905	0.5
86.09707	30.0
91.05489	3.4
92.05792	0.7
93.07048	4.5
93.07607	0.2
94.07364	0.8
95.04997	0.4
95.08606	3.8
96.08930	0.5
97.02872	1.3
97.06521	0.7
97.10165	0.4
98.03226	0.3
98.98464	2.8
99.04436	0.4
104.10738	2.4
105.07032	2.2
106.07352	0.6
107.04948	0.7
107.08589	2.1
108.08947	0.5
109.02866	0.5
109.06495	0.3
109.10151	1.7
110.06930	0.3
111.04446	0.6
111.08098	0.5
117.07012	0.7
119.08574	1.7
120.08907	0.7
121.06520	0.5
121.10168	1.8
122.10445	0.4
123.11726	0.7
125.00005	20.5
127.03921	0.4
129.05475	0.9
129.06964	0.6
130.30190	0.3
131.08586	1.5
133.10139	1.7
134.10510	0.3
135.08064	0.3
135.11684	1.0
138.13686	0.3
143.08543	0.4
145.10104	0.8
146.10457	0.3
147.11655	1.2
148.12053	0.6
149.09647	0.5
149.13258	1.1
150.13525	0.4
157.10080	0.5
159.11693	0.6
160.12074	0.3
161.13300	0.3
165.12767	0.5
169.10161	0.3
175.11084	0.4
184.07341	100.0
185.07703	0.7
195.13799	0.6
227.12694	0.3
267.15869	0.4
268.16122	0.3
269.17548	1.2
270.17789	0.4
335.25766	1.1
336.26114	0.9
386.67865	0.3
388.25937	0.3
407.82983	0.3
496.34451	0.3
520.36761	0.4
521.38477	0.8
530.39117	2.0
674.43243	0.7
692.44952	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	692.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05277	1.3
55.05513	19.1
56.67896	0.7
57.03436	12.3
57.07065	1.7
59.05000	1.0
61.02925	6.3
65.03931	3.7
67.05506	78.7
69.03416	3.5
69.06739	1.0
69.07072	13.9
71.04990	19.1
71.49105	1.3
73.02891	4.0
79.05497	35.1
81.03433	6.4
81.07056	100.0
83.04987	7.1
83.08623	15.8
85.02913	8.3
85.06551	7.6
87.04447	1.8
91.03952	1.4
91.04906	1.3
91.05483	29.5
93.07047	40.5
95.04960	4.6
95.08611	17.0
97.02879	4.1
97.06541	7.8
97.10169	5.1
99.04496	1.3
99.08102	2.2
105.07034	11.4
107.04918	1.9
107.08597	25.4
109.02857	0.8
109.06519	2.4
109.10159	21.5
111.04491	0.9
111.08059	5.1
111.37396	0.8
117.07035	7.5
119.08594	4.4
121.06508	2.3
121.10157	9.7
123.08057	1.1
123.11713	11.3
125.09647	4.0
127.03927	0.8
129.05504	1.2
129.07033	0.9
131.08585	7.6
133.10136	20.1
135.11691	8.1
137.09625	1.4
145.10089	2.5
147.11696	2.2
149.13260	11.8
150.13527	1.0
151.11185	5.2
153.12773	1.0
155.10674	1.7
159.11682	7.1
163.11171	1.9
165.12799	1.5
169.12248	1.1
173.11777	4.6
177.12724	3.7
183.13811	2.5
187.13315	2.6
191.10599	1.1
193.12250	1.3
195.13817	13.4
199.13269	1.6
209.11734	1.8
213.14944	1.8
225.14883	2.1
227.12794	2.1
229.14368	17.8
251.16618	1.5
257.17432	0.9
267.15796	2.0
269.17487	36.7
283.15530	1.2
301.16434	5.6
301.20096	16.1
390.04242	0.9
411.27502	2.0
423.27536	12.5
424.27405	1.1
437.28992	50.6
438.29160	2.3
451.30713	6.2
463.24387	1.1
463.30618	21.2
464.30817	1.0
495.33524	68.4
496.33826	1.4
513.30554	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	692.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01867	3.0
55.05513	16.4
57.03442	8.7
57.07065	2.3
59.04997	1.6
61.02914	2.9
65.03929	1.7
67.05508	68.6
69.03430	2.2
69.06731	1.4
69.07076	18.8
71.04996	19.1
78.15397	0.8
79.05495	34.5
81.03429	5.8
81.07062	100.0
83.04974	7.8
83.08624	14.8
85.02911	4.8
85.06548	7.4
91.03956	2.0
91.05482	22.6
93.07050	42.9
95.04980	4.4
95.08058	1.5
95.08613	16.9
97.02893	2.7
97.06536	10.1
97.10170	3.9
98.20638	1.6
99.08085	1.7
105.07043	11.5
107.04964	1.3
107.07879	1.7
107.08602	29.3
109.06516	3.2
109.10164	14.4
111.04460	0.9
111.08086	5.1
113.09696	1.7
117.07024	6.7
119.08588	3.9
121.06515	1.9
121.10148	13.3
123.11713	8.8
125.09622	3.3
125.10469	1.0
127.03893	0.8
129.05504	1.2
129.06999	1.3
131.08549	6.6
133.10146	12.6
135.08061	1.7
135.11716	5.1
139.11111	1.2
145.10121	1.2
147.08040	1.3
147.11690	1.4
149.09663	1.4
149.13274	20.9
151.11185	5.5
155.10649	1.3
159.11693	9.9
163.11177	1.9
173.11737	1.8
177.12694	5.0
183.13837	1.4
186.29646	0.9
187.13319	2.2
191.10646	0.8
194.90839	0.9
195.13800	7.9
209.11766	1.3
225.70871	0.8
229.14386	10.4
267.15967	2.4
269.17502	22.9
283.15616	1.5
301.16501	2.8
301.20087	5.6
352.83435	1.0
411.27582	1.1
423.27362	8.1
437.29041	31.4
451.30432	5.8
463.30545	69.9
464.30807	2.3
495.33667	25.6
513.30450	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	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
54.40265	1.0
55.01874	6.6
55.05515	35.4
57.03435	18.6
57.07069	2.5
59.04999	3.3
61.02924	8.3
65.03939	4.0
67.05508	100.0
68.05832	1.2
69.03439	4.9
69.06729	2.0
69.07069	19.3
70.02166	3.7
70.03600	1.0
71.01369	1.1
71.04995	7.1
73.02933	5.9
79.05498	42.2
81.03427	11.9
81.07060	72.4
82.07380	1.6
83.01349	1.2
83.04980	11.2
83.08625	22.3
85.02910	18.6
85.06563	5.2
87.04475	6.5
91.03953	3.3
91.04916	1.6
91.05484	29.5
93.07047	45.3
93.14060	1.0
95.04974	7.3
95.08609	21.4
97.02884	6.6
97.06536	11.2
97.10169	15.7
99.04475	1.4
99.08096	1.7
99.27930	1.1
103.03963	1.8
105.07040	12.7
107.04965	3.8
107.08606	28.1
109.06528	4.8
109.10160	52.7
111.04411	1.7
111.08083	6.5
116.04739	1.9
117.07014	8.5
119.08587	9.8
121.06509	2.3
121.10157	10.8
123.08054	2.8
123.11702	4.3
125.09637	15.4
127.03939	1.4
129.05498	6.5
129.07013	2.2
131.08586	10.8
133.10143	14.3
135.08099	4.1
135.11697	10.8
137.09630	3.0
143.10645	2.3
145.04932	1.4
145.10135	4.7
147.11707	4.0
149.09650	2.1
149.13277	14.5
151.11215	2.1
153.12759	3.7
155.10687	6.1
157.10056	1.2
159.11697	6.6
163.11179	9.5
165.12793	2.3
173.09581	2.1
173.11755	14.4
175.11203	1.8
177.12766	3.6
181.12242	3.9
191.10710	4.8
193.12282	3.2
195.13837	14.4
199.13354	7.5
209.11729	7.4
211.13319	2.9
213.14842	3.1
227.12791	7.8
229.14362	47.3
239.16461	4.0
257.13724	1.5
263.33722	1.3
265.14551	1.2
267.15948	9.5
269.17502	55.3
270.17856	2.4
283.15326	6.9
285.16983	1.4
301.16467	18.0
393.26361	2.3
411.27377	5.7
423.27466	34.9
424.27820	1.3
431.27942	1.8
477.28586	3.2
495.29535	58.0
496.29568	2.4
513.30664	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01883	13.5
55.05267	4.0
55.05515	38.3
57.03444	27.2
57.07077	3.3
60.51753	2.0
61.02925	6.9
64.48738	2.1
67.05511	80.7
69.03434	10.9
69.07069	29.3
69.50111	15.7
69.54762	1.8
71.04996	7.2
73.02909	6.7
79.05497	57.4
81.03425	29.3
81.07061	100.0
82.04195	2.8
83.04989	15.1
83.05391	2.3
83.08628	23.4
85.02896	11.1
85.06554	8.4
87.04458	2.6
91.03976	3.0
91.05486	43.6
91.06024	3.1
93.07044	68.2
95.04978	22.0
95.08606	26.1
97.02890	8.6
97.06535	13.2
97.10177	16.9
98.07355	5.6
99.04501	2.6
99.08103	3.8
105.07032	17.8
107.04953	9.7
107.08597	40.8
109.06539	7.0
109.10165	19.8
111.04453	4.2
111.08089	10.7
116.04662	10.9
117.07025	12.1
119.08583	10.8
121.06498	4.5
121.10151	16.5
123.08075	5.0
125.09639	17.9
125.25367	2.2
129.05508	20.6
129.07007	4.3
131.08562	16.9
133.06516	2.8
133.10135	22.7
135.08061	3.8
135.11693	12.6
137.09648	4.6
140.46671	2.4
143.07089	5.9
145.10156	6.8
147.11708	9.6
149.09628	4.2
149.13278	27.4
153.12965	2.6
155.10712	4.2
157.08604	11.5
157.09966	4.7
158.05739	3.1
159.11699	14.3
163.11197	5.8
171.10152	5.6
173.11794	3.7
175.11153	3.1
177.12766	7.0
177.21869	2.4
181.12233	3.1
184.07317	6.5
189.11220	4.8
191.10779	3.6
193.12251	9.6
195.13780	18.9
199.13268	16.5
209.11766	9.1
211.13309	3.8
213.14801	3.4
227.12825	12.9
229.14323	3.1
239.16463	2.6
267.15891	9.5
269.17490	82.5
283.15387	14.9
283.96597	2.3
301.16470	48.4
383.90585	2.4
388.68842	2.6
393.26343	5.3
411.27350	8.6
423.27548	23.0
433.31760	2.1
449.28806	3.8
461.28967	6.2
477.28430	21.2
478.29257	5.4
495.29581	78.1
496.30045	2.3
501.60541	2.2
621.33417	2.8
639.33521	2.6
694.86023	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
54.27077	2.0
55.01871	20.6
55.05515	31.7
57.03441	25.2
57.07080	4.6
59.05003	2.6
61.02919	9.0
61.39246	1.9
65.03956	3.2
67.05509	65.8
69.03419	6.9
69.07072	20.6
69.50116	13.8
71.05000	7.2
73.02909	7.7
79.05074	3.9
79.05499	55.3
81.03424	25.5
81.07063	82.9
82.04182	5.4
83.04995	16.7
83.08625	26.0
84.02123	1.9
85.02929	9.8
85.06548	4.8
91.05487	35.1
91.39977	1.9
93.07049	58.1
95.04972	17.0
95.08610	23.3
97.02885	8.5
97.06536	16.5
97.10191	17.3
97.90366	2.1
98.07317	6.4
98.20729	2.1
99.08084	2.3
105.07004	15.9
107.04955	7.7
107.08602	34.4
109.06511	5.1
109.10168	17.0
111.04523	2.2
111.08083	7.7
116.04736	15.9
117.07024	15.7
119.08595	11.3
121.06512	6.3
121.10138	14.6
123.08038	6.2
123.11711	6.4
125.09637	19.7
127.11175	2.5
129.05496	32.4
129.07042	5.8
131.08592	12.3
133.10147	20.0
135.08067	6.0
135.11708	13.6
143.07056	8.9
145.10144	6.0
147.11707	7.5
149.09608	4.6
149.13255	20.6
155.10739	2.3
157.08636	12.4
157.10094	5.3
159.11719	10.3
163.11201	5.9
165.12828	2.5
171.06514	3.0
171.10210	7.1
173.09723	3.0
173.11760	5.5
177.12784	6.6
189.11235	6.5
191.10623	3.8
193.12209	6.5
195.13828	23.1
199.13287	19.9
200.14015	3.6
209.11725	8.1
210.12416	2.0
211.13297	5.9
213.14859	4.4
227.12790	10.6
255.15918	2.1
267.16006	7.9
269.17496	79.4
283.15366	14.3
301.16470	78.8
323.18500	4.1
389.39938	2.0
393.26355	6.4
411.27286	11.2
423.27316	27.2
461.28903	5.0
471.18689	2.2
477.28448	14.4
478.29312	6.7
495.29562	100.0
496.29828	3.9
516.67371	2.3
641.51813	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
53.59368	2.2
55.01866	2.8
55.05516	13.6
55.14883	2.7
57.03443	11.7
61.02903	4.8
67.05504	22.6
69.03425	5.0
69.07059	7.6
69.41235	18.4
71.04988	5.4
79.05508	31.4
81.03429	71.2
81.07056	27.6
83.05006	16.8
83.08624	22.1
85.02913	29.7
85.06489	2.7
89.54867	2.2
89.99224	2.4
91.05492	38.2
93.07049	21.7
95.04976	26.6
95.08059	2.2
95.08614	12.4
95.50291	2.5
97.02893	4.8
97.06536	3.7
97.10183	3.8
98.20763	4.7
105.07050	26.6
107.04951	10.2
107.08595	7.1
109.06496	3.8
109.10086	3.0
111.08073	9.9
119.08586	21.8
121.06508	2.5
121.10140	7.2
129.07022	13.2
131.08542	11.1
133.10139	12.8
142.07799	5.4
147.08025	3.1
147.11725	16.0
149.09631	4.9
157.10127	16.0
165.12729	3.8
175.11217	15.5
193.12273	45.3
211.13326	100.0
215.99258	2.3
219.11394	2.4
267.15952	30.6
285.16986	75.9
346.15259	2.9
385.23645	7.9
459.27411	21.5
477.28604	23.0
495.29620	67.7
571.32819	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19938	3.1
53.03941	11.0
54.87961	3.2
55.01867	7.9
55.05513	40.5
57.03439	13.8
57.07077	7.4
65.03950	5.5
67.05509	87.8
69.03424	20.5
69.07074	31.6
70.12707	2.7
70.63145	7.5
71.04983	10.4
71.68900	3.1
73.02927	3.6
79.05499	63.5
81.03426	46.2
81.07059	100.0
83.04995	25.1
83.08620	22.1
85.02903	4.6
85.06538	5.0
86.09713	15.1
91.05489	53.4
93.07047	62.1
95.04965	13.3
95.08604	56.8
97.02895	15.0
97.06526	11.0
97.10195	7.1
98.98457	5.4
99.04406	4.9
101.60814	2.9
105.07032	42.7
107.04974	8.1
107.08584	39.0
109.02885	7.5
109.06532	7.6
109.10152	20.4
110.88742	3.0
111.04433	7.1
111.08096	3.9
112.18107	3.0
117.07033	23.7
119.08585	25.8
121.06514	3.8
121.10149	31.4
123.11719	12.1
124.99990	9.1
125.09647	3.8
127.03956	10.2
128.06245	3.4
129.05515	8.6
129.07021	12.1
131.08568	26.0
133.06560	3.9
133.10141	19.0
135.08055	6.6
135.11699	15.5
137.09650	3.7
137.13181	3.3
139.11143	3.3
143.08563	8.7
145.06523	3.4
145.10133	24.3
147.11694	16.9
149.06076	3.9
149.13271	21.0
151.11235	5.0
155.08545	5.1
157.10112	12.7
159.11748	15.7
161.13226	5.4
163.11195	8.9
165.12698	5.3
167.08752	3.9
169.10130	6.8
171.11707	4.0
173.13290	11.0
175.14771	4.9
177.12753	6.2
184.07353	49.2
185.07727	7.7
185.13216	5.9
195.13811	9.2
197.13232	4.3
213.12791	3.6
213.14792	5.4
215.14307	3.6
238.89009	3.5
261.22189	12.1
267.15918	10.1
269.17490	32.6
277.21762	4.1
301.21661	4.3
305.10043	4.3
335.25806	28.5
337.27377	6.9
351.22952	5.2
369.24271	8.6
387.25354	8.0
413.21802	6.0
437.34424	4.8
455.35358	4.5
461.28677	6.5
479.29865	6.5
519.36700	34.8
529.38843	41.7
547.39417	4.2
627.05524	3.8
637.40875	4.7
673.42645	13.4
691.44519	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.0
55.01862	6.6
55.05275	2.4
55.05516	31.1
57.03435	13.0
57.07067	3.1
60.08157	1.7
60.16452	1.4
61.02931	2.6
65.03926	4.4
67.05507	83.6
67.18948	1.5
69.03439	20.1
69.06734	2.3
69.07066	27.0
71.01342	3.1
71.04997	8.6
73.02901	2.9
74.09694	4.1
79.05491	59.5
81.02935	2.0
81.03422	52.9
81.07057	100.0
83.04987	33.1
83.08620	20.3
85.02907	8.3
85.06536	6.9
86.09711	7.8
91.04916	1.9
91.05485	43.5
93.07044	63.9
95.04975	12.5
95.08608	56.4
97.02890	16.9
97.06528	12.0
97.10152	6.7
98.98435	4.7
99.04462	4.2
99.08099	4.6
103.03968	2.5
105.04504	3.3
105.07030	38.9
107.04964	8.2
107.08598	35.1
109.02875	8.8
109.06501	6.2
109.10156	22.2
111.04437	10.8
111.08063	6.9
117.07033	12.9
119.04971	1.8
119.08589	26.5
121.06502	5.8
121.10133	26.7
123.08079	3.4
123.11712	10.4
125.00000	5.6
125.09657	3.0
127.03896	9.3
128.06252	2.1
129.05487	14.0
129.07005	9.9
131.04929	1.8
131.08566	21.3
133.06473	5.3
133.10144	19.4
135.04474	1.7
135.08038	5.7
135.11687	17.3
137.09628	2.4
137.13263	2.5
141.06958	2.5
141.82098	1.7
143.08591	7.3
145.06442	3.0
145.10120	15.9
147.08032	3.3
147.11678	19.0
149.09610	5.6
149.13284	15.8
151.11142	1.6
155.08560	3.4
157.10109	7.3
159.08093	3.9
159.11697	14.3
161.09596	2.2
161.13249	5.9
163.11151	3.4
163.14864	2.7
165.07005	2.1
165.12727	5.0
166.12991	1.6
167.08527	1.5
167.60550	1.7
168.09425	1.6
169.10141	5.5
171.07961	1.6
171.11670	5.8
173.13257	6.1
175.11235	2.4
175.14755	2.6
177.12791	5.3
177.16434	1.8
181.10040	2.1
181.12231	2.7
183.11710	2.6
184.07352	26.3
185.13272	5.8
187.11116	2.3
187.14792	3.2
191.10713	2.6
193.12215	3.3
195.11882	2.1
195.13768	8.9
197.13252	2.9
199.14804	2.4
209.11679	2.1
211.14896	2.0
219.13882	1.7
227.12625	2.6
228.29005	1.7
243.21130	2.3
259.20535	2.0
261.22125	6.2
267.13348	1.8
267.15839	10.6
269.17514	21.8
275.16501	2.8
285.06659	1.7
285.16934	2.4
311.25647	2.2
321.16953	2.0
335.25861	24.6
337.16376	1.9
337.27255	5.6
339.18085	3.4
341.63754	1.6
351.23126	4.7
369.24063	7.8
387.25403	3.1
393.43979	1.7
395.20709	2.1
405.26471	3.4
411.19965	4.5
413.21744	4.0
443.27881	2.8
461.28848	3.9
479.29956	4.6
519.36700	6.7
527.36566	1.9
529.38898	39.4
547.40088	2.5
637.40515	3.3
655.41840	4.8
673.43439	13.1
674.43909	2.6
691.44202	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	691.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
53.03947	11.3
55.01863	7.0
55.05278	2.1
55.05515	25.5
57.03446	12.1
57.07081	4.0
61.02935	2.3
61.13648	1.6
65.03929	3.9
67.05504	81.3
69.03426	21.5
69.07066	27.9
71.04990	8.8
71.08620	2.0
73.02888	2.0
75.29015	1.7
79.05497	54.1
81.02940	2.3
81.03417	47.6
81.07058	100.0
82.07343	2.4
83.04980	21.6
83.08616	14.1
85.02888	9.0
85.06522	4.6
86.09661	2.7
87.04436	2.1
91.05481	48.0
93.07045	60.3
95.04966	14.5
95.08609	45.0
97.02900	17.1
97.06523	9.4
97.10160	5.1
99.04433	6.1
99.08040	2.3
103.03942	3.6
105.04532	2.3
105.07034	34.2
106.07269	1.7
106.21588	1.7
107.04952	6.9
107.08596	29.4
109.02862	7.2
109.06513	5.5
109.10165	15.8
111.04439	12.7
111.08092	5.1
115.05431	2.5
117.07027	19.7
119.08586	23.0
119.54491	1.6
121.06496	4.8
121.10145	26.0
123.04410	4.0
123.08055	2.7
123.11735	9.4
125.09609	3.7
127.03891	8.6
128.06175	2.4
129.05508	10.9
129.06975	10.9
131.08557	22.9
133.06508	3.3
133.10117	20.4
135.08049	4.4
135.11708	15.9
137.09615	2.6
137.13275	2.4
139.11200	1.9
140.39470	1.5
143.08543	8.6
145.06479	3.4
145.10143	15.6
147.08028	3.3
147.11691	17.0
149.09634	4.0
149.13242	15.4
149.29543	1.8
151.11156	2.2
153.12717	1.6
155.08537	4.5
157.10121	6.5
159.07961	1.7
159.11652	14.0
161.05928	2.0
161.09596	2.0
161.13237	5.2
163.11221	3.3
163.14819	2.2
165.12711	3.9
167.10724	2.0
169.10118	4.6
171.11697	6.3
173.04427	5.9
173.13269	5.6
175.11156	2.1
175.14745	2.3
177.12767	5.2
181.10020	2.8
181.52885	1.8
183.11714	4.0
184.07364	5.9
185.13219	2.4
187.11255	2.0
187.14868	3.1
195.13879	8.8
197.13206	2.3
199.14861	2.8
201.12762	2.2
209.11688	12.9
209.13354	1.7
211.13101	2.0
211.15015	2.0
213.12730	2.0
237.22134	2.3
261.22073	7.9
267.15906	6.6
269.17444	18.9
273.22003	2.5
277.21597	3.8
285.17065	2.4
301.21643	4.1
303.23294	2.5
327.23343	2.9
335.25769	16.2
337.27075	5.5
341.25101	2.2
369.24329	8.4
387.25092	3.6
405.26385	2.6
413.21655	5.3
443.27771	3.4
479.29959	3.7
503.37152	5.8
519.36798	16.5
529.38989	24.2
547.39978	4.3
637.40564	2.7
655.41693	5.9
673.42847	12.1
691.43921	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	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.1
54.03044	1.6
55.01877	11.0
55.05268	2.8
55.05511	32.5
57.03436	15.6
57.07072	4.4
61.02932	1.9
65.03931	4.8
67.05504	84.0
68.05853	1.9
69.03433	24.6
69.07069	22.8
71.04995	10.7
71.08620	2.6
72.08150	1.5
79.05492	61.6
81.03419	51.4
81.03837	1.4
81.07054	100.0
81.17525	1.3
83.04980	28.2
83.08611	19.0
85.02901	7.4
85.06543	4.8
86.09705	2.2
87.04477	2.2
91.05482	49.4
92.05789	1.6
93.03445	1.6
93.07043	63.8
94.07355	2.9
95.04962	17.3
95.08604	52.1
95.52008	1.6
96.08951	3.0
97.02898	19.4
97.06534	11.2
97.10183	6.7
98.98465	1.9
99.04452	3.3
99.08123	2.8
103.03952	2.0
105.04526	3.7
105.07036	42.1
105.07710	3.5
107.04955	8.8
107.08585	41.3
108.08935	1.6
108.46204	1.4
109.02861	8.5
109.06519	7.4
109.10153	24.1
111.04426	10.6
111.08085	6.6
113.06021	2.1
113.09691	1.6
115.05463	3.5
117.07021	20.1
119.08581	26.2
120.08933	2.0
121.06488	5.3
121.10141	23.4
123.04417	4.3
123.08087	4.1
123.11702	9.3
125.09632	4.9
127.03913	7.5
129.05463	11.9
129.06981	11.1
131.08545	27.5
133.06499	4.8
133.10126	20.0
135.08049	5.5
135.11696	16.5
135.36034	1.5
137.09554	1.6
137.13283	2.9
141.07040	3.3
143.08516	8.1
145.06512	3.7
145.10133	15.7
147.04436	2.3
147.08075	4.3
147.11687	19.1
149.09607	4.0
149.13271	15.0
151.11131	2.9
155.08504	5.3
157.06558	2.7
157.10139	8.3
159.08084	3.5
159.11696	18.6
159.20537	1.6
161.09584	1.9
161.13263	6.4
163.11211	5.8
165.12766	5.2
167.08496	2.2
169.10149	3.5
171.08035	2.1
171.11684	6.7
173.04494	5.1
173.09540	2.0
173.13284	7.6
174.43571	1.5
175.11147	3.1
175.14780	2.3
176.10591	1.6
177.09148	1.6
177.12747	7.1
179.18956	2.0
181.10106	2.7
183.11711	5.3
184.07332	4.9
185.13336	3.1
187.11145	3.2
187.13194	2.2
187.14673	3.2
195.12000	2.6
195.13800	11.1
197.13268	2.3
199.14905	2.1
201.16483	1.8
207.13866	1.7
209.11649	12.1
213.12787	2.0
227.12717	4.0
229.14369	1.9
235.13304	1.6
237.22130	2.0
253.87814	1.6
256.92453	1.7
261.14871	1.7
261.22165	6.1
267.15820	7.9
269.17490	20.2
273.22235	1.9
274.74023	1.6
283.15494	1.8
289.21606	2.1
301.21637	3.4
311.25977	3.0
335.25900	18.7
337.27261	5.9
339.17963	4.4
351.23035	2.2
369.24307	7.9
387.25027	3.9
405.26511	4.2
413.21738	5.5
443.27911	2.8
461.29111	2.7
470.39200	1.8
479.30069	3.0
503.37088	6.6
519.36682	17.0
529.38989	24.0
547.39880	3.9
613.40442	2.3
617.14941	1.7
637.40900	5.9
655.41852	5.5
673.43085	10.9
691.43945	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	691.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45666	0.5
53.03940	1.2
55.01870	0.9
55.05511	2.4
57.03436	1.8
61.02930	4.7
67.05511	5.3
69.03426	2.8
69.07074	1.4
69.44287	3.1
69.44704	1.2
71.01344	0.9
71.04996	0.9
73.02913	2.4
79.05495	5.9
81.03422	3.1
81.07066	5.3
83.04992	1.2
83.08617	1.2
85.02897	4.9
91.03968	1.9
91.05479	5.3
91.83476	0.5
93.07043	5.8
95.04987	1.2
95.08612	2.6
97.02882	4.3
97.06530	0.8
97.10220	0.5
99.04466	1.2
101.02388	1.3
101.62962	0.4
103.03899	0.6
105.07027	4.2
107.04992	0.8
107.08592	2.3
109.02876	1.0
109.06516	1.1
109.10168	1.2
117.07005	1.6
119.08584	1.6
121.06551	0.6
121.10168	1.7
123.08086	1.0
127.03924	1.4
129.07022	1.3
130.84389	0.6
131.08553	0.8
133.10153	1.6
135.11716	1.6
143.08583	0.9
145.10187	1.9
147.11711	2.1
161.13307	0.7
163.11249	2.0
171.11751	1.7
185.49580	0.6
243.08417	2.3
247.13200	1.2
281.17725	0.6
283.15381	1.1
342.85724	0.6
344.17084	0.5
465.21008	9.3
465.26971	0.9
467.18896	4.8
691.33008	100.0
692.33405	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	690.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22052	0.9
53.03942	1.8
55.01855	0.8
55.05511	10.7
55.45469	0.9
57.03207	1.3
57.03441	12.8
57.06802	1.2
57.07077	22.5
60.08173	1.0
61.02910	2.7
62.27750	1.0
64.07415	0.9
65.95833	0.9
66.05964	0.9
67.05507	34.2
69.07069	14.1
71.01348	3.1
71.04981	3.4
71.08629	16.9
73.02911	1.2
74.09717	1.7
79.05496	26.2
81.03413	4.4
81.06608	1.2
81.07059	20.6
83.04993	6.3
83.08614	8.8
84.36056	0.9
85.02895	1.9
85.06544	2.5
85.10179	9.9
85.72980	1.0
86.09712	6.4
89.06020	1.3
91.05477	10.0
93.07045	28.9
95.04945	3.1
95.08609	17.4
97.02886	1.2
97.06527	7.2
97.10161	12.6
98.21542	1.8
98.98450	1.4
99.08122	1.1
105.07024	2.4
107.08595	25.0
109.10158	9.4
111.08069	2.0
117.06992	4.3
118.31913	0.9
119.08577	5.1
121.06486	1.0
121.10160	5.0
123.11697	2.3
125.00010	4.8
125.05962	0.9
125.09570	1.6
130.29478	0.9
133.10127	3.0
135.08052	1.2
135.11693	37.7
137.13319	1.0
138.27113	0.9
145.10156	7.0
153.12706	1.5
163.11172	5.1
163.41275	0.9
171.61313	1.0
181.12231	9.6
184.07358	20.9
199.13257	1.3
207.96014	1.1
239.23607	1.9
255.15916	100.0
256.16183	2.2
257.24652	1.1
313.27371	47.2
393.65945	0.9
493.38901	72.2
494.39120	3.0
690.45020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.04782	0.1
56.05021	0.8
57.03423	0.2
57.07067	0.3
58.06357	0.2
58.06620	0.5
60.08165	6.1
67.05501	0.9
69.03433	0.2
69.07056	0.5
70.06602	0.2
70.07208	0.4
71.07374	3.8
71.08616	0.2
74.09716	0.2
79.05495	0.4
81.03430	0.3
81.07028	0.8
83.08598	0.3
85.07647	0.3
86.09708	31.8
88.07623	0.2
91.05480	0.5
93.07047	0.4
95.08622	0.7
98.98460	3.4
104.10742	2.8
105.07001	0.2
107.08595	0.2
109.10161	0.2
111.27916	0.1
119.08573	0.3
121.10126	0.2
125.00005	21.2
145.10101	0.2
166.02727	0.2
169.10127	0.2
177.08948	0.1
184.07341	100.0
185.07701	0.5
185.13261	0.2
197.13272	0.2
204.17278	0.2
221.32442	0.2
229.53961	0.2
519.37048	0.6
593.45398	0.3
599.26978	0.2
690.47070	5.7
691.44189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
53.03950	2.3
55.01859	6.6
55.05513	22.9
57.03440	20.9
59.04996	3.3
61.02920	5.8
64.22456	1.3
67.05506	23.0
69.03429	4.1
69.07068	6.0
69.46603	3.3
69.47023	6.5
71.01367	1.9
71.04990	7.2
73.02911	2.3
73.66034	1.2
79.05073	2.1
79.05496	28.3
81.03421	55.8
81.07057	27.7
83.01347	5.6
83.04983	18.3
83.08621	27.4
85.02912	19.7
85.06566	1.5
91.03959	2.2
91.05482	30.6
93.07045	29.7
95.04960	24.6
95.08617	10.1
97.02901	5.6
97.06532	5.5
97.10186	3.3
98.49485	1.3
99.04481	1.9
99.08128	1.2
105.07024	20.3
107.04971	12.0
107.08590	14.3
109.06522	8.5
109.10149	4.4
111.04437	3.3
111.08096	9.1
113.05997	2.0
117.07003	7.1
119.04935	1.5
119.08585	19.0
121.06506	3.8
121.10146	12.3
123.08086	9.6
123.11735	1.4
125.06032	2.2
125.09627	2.8
127.03960	1.4
127.07547	1.3
129.06989	8.8
131.08568	8.9
133.10141	7.9
135.08008	1.7
135.11705	6.6
137.09634	2.7
142.07780	2.1
143.08444	1.2
145.10130	13.3
147.08060	2.8
147.11696	10.7
149.09619	5.7
157.10141	12.4
163.11176	16.6
165.12773	1.7
173.09616	2.4
175.11214	8.0
181.12314	3.1
191.10803	2.1
193.12244	31.1
207.67915	1.4
209.11758	3.5
211.13304	53.4
227.12956	2.4
267.15887	11.7
283.15399	59.9
285.16971	37.4
309.03622	1.2
321.03702	1.3
329.29868	1.1
344.21951	1.4
383.22009	1.7
401.23273	1.7
457.25766	3.0
475.27026	13.0
493.27997	100.0
494.28268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48743	1.7
51.61403	1.8
53.03949	14.0
55.01891	10.1
55.05513	31.0
57.03444	15.4
59.33775	2.0
61.56945	2.4
65.03950	5.6
67.05508	74.4
69.03430	34.9
69.07077	20.3
69.20348	2.7
69.20753	17.7
71.04990	10.4
77.03944	2.7
79.05497	72.4
79.46873	1.9
81.03425	100.0
81.07062	77.5
82.14683	2.1
83.04978	20.3
83.08626	22.6
85.02908	21.5
85.06550	3.9
91.05485	67.2
92.05802	2.4
93.07048	65.0
95.04983	29.4
95.08613	42.1
97.02901	23.3
97.06525	8.6
97.10163	11.5
99.04456	7.7
99.08105	2.3
99.21121	2.1
103.05499	2.1
105.07031	46.7
105.07703	3.8
107.04963	7.2
107.08607	34.7
109.02882	13.2
109.06530	9.0
109.10168	18.4
111.04464	11.0
111.08086	9.2
113.05996	2.3
115.05466	5.7
117.07033	19.3
119.08589	35.9
121.06500	4.8
121.10149	27.9
123.04430	4.2
123.08060	4.2
123.11701	6.6
125.09634	4.2
127.03932	15.3
128.06245	5.6
129.05479	3.1
129.07024	18.0
131.08572	27.8
133.06497	5.7
133.10146	22.7
134.51855	2.1
135.08063	5.7
135.11728	16.2
137.09619	2.8
141.06969	4.3
142.07768	6.7
143.08569	9.5
145.06470	5.1
145.10153	18.1
147.08058	7.1
147.11700	28.5
149.09631	6.7
149.13260	6.2
155.08569	5.2
157.06522	2.8
157.10158	20.0
159.08067	3.0
159.11761	11.1
161.09633	4.8
161.13268	6.0
163.11186	6.7
165.12749	7.5
167.08617	3.9
169.10126	5.0
171.08028	3.0
171.11703	5.7
173.09616	4.1
173.13271	9.6
175.11163	13.3
181.10109	2.9
181.12332	4.7
183.11664	5.3
184.07233	2.6
185.09595	2.9
185.13272	7.0
187.11215	2.6
187.14772	3.7
191.10579	3.6
193.12250	41.3
195.11772	3.6
195.13693	2.5
197.13290	3.2
199.14841	5.0
201.12781	2.3
209.13370	3.7
211.11514	1.9
211.13284	56.7
212.13576	3.4
213.12868	2.6
217.12083	2.2
227.12823	5.1
229.14326	3.2
243.20987	2.4
249.14905	4.0
259.20715	2.7
261.22272	5.7
267.15866	8.2
277.21625	4.7
285.17035	11.4
301.21640	6.0
306.05301	2.1
327.23050	2.4
335.26056	13.2
337.16293	4.2
341.24820	2.1
351.23260	6.5
355.17404	3.7
369.24319	11.2
387.25272	8.4
405.26389	4.1
411.20120	5.1
443.28055	5.2
461.29059	7.4
527.37170	8.7
545.38245	6.5
653.40552	7.9
671.41388	10.3
689.42566	60.1
690.42859	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52766	2.0
53.03948	16.7
55.01856	7.0
55.05513	31.1
56.64634	1.9
57.03434	12.5
57.07069	2.4
62.57479	2.1
65.03924	6.5
67.05502	72.8
69.03434	27.3
69.07072	19.8
70.66773	2.7
70.67103	4.1
71.04985	10.7
78.41917	2.1
79.05491	65.5
81.03419	100.0
81.06602	4.6
81.07056	69.6
83.04981	19.1
83.08618	20.5
85.02913	15.5
85.06561	4.1
91.05478	59.6
93.07040	62.1
95.04962	30.5
95.08610	44.2
97.02879	20.4
97.06530	8.9
97.10162	6.0
99.04439	6.5
103.03976	2.4
103.05461	2.1
105.07030	46.1
107.04932	9.6
107.08589	36.1
109.02867	17.0
109.06534	7.1
109.10161	18.1
111.04469	9.7
111.08071	8.5
114.00314	1.9
115.05406	3.6
117.07013	15.1
119.08569	34.5
121.06488	4.7
121.10136	27.6
123.04448	4.8
123.08054	4.8
123.11692	4.9
125.09655	2.6
127.03918	10.5
128.06187	5.5
129.05508	3.8
129.06998	21.3
131.04965	2.4
131.08557	26.3
133.06453	5.5
133.10138	22.4
135.08032	5.2
135.11711	12.4
137.09601	3.1
141.07001	3.3
142.07785	3.7
142.84291	2.0
143.08562	11.9
145.06502	4.0
145.10120	19.9
146.63553	2.1
147.08037	4.4
147.11678	27.9
149.05902	3.1
149.09599	9.0
149.13258	6.8
151.11259	2.6
153.12817	3.4
153.36864	1.9
155.08504	6.4
157.10132	15.1
159.06821	2.1
159.08081	5.0
159.11685	11.7
161.13199	5.1
163.11185	6.9
165.12735	5.8
167.08537	5.2
169.10147	7.4
171.08148	2.6
171.11708	10.2
173.04453	5.4
173.09622	2.9
173.13283	7.3
175.11215	11.8
181.10123	2.3
183.11714	4.8
185.13269	6.3
187.14787	3.1
191.10567	4.9
193.12247	35.0
195.11674	2.9
195.13803	2.2
197.13300	4.7
199.14751	2.2
207.11568	3.4
207.13538	2.0
209.13383	3.6
211.13252	48.4
235.13179	3.1
259.20584	2.8
261.22171	5.1
265.68561	2.0
267.15887	13.8
273.14764	2.7
283.15460	2.9
285.16852	12.4
301.14505	3.8
301.21426	2.9
313.21719	3.0
315.23117	2.3
327.23215	3.2
335.25989	16.1
337.16391	5.1
339.23260	2.2
351.22989	2.3
355.17569	6.1
369.24265	11.6
374.62161	2.2
387.25281	6.1
387.41837	2.1
405.25940	3.4
411.20120	4.6
435.32025	2.7
443.27740	4.6
461.28879	2.7
527.37457	14.1
545.38293	4.7
611.39252	3.4
653.40137	6.5
671.40649	9.7
689.42609	65.6
690.43097	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28928	2.0
51.02385	3.0
53.03945	15.4
55.01878	7.3
55.05513	32.5
57.03444	12.7
61.02934	3.2
65.03940	5.9
67.05508	82.1
69.02645	1.8
69.03433	31.0
69.07084	23.2
70.64387	6.1
71.04996	12.4
73.02940	2.4
77.03941	2.2
79.05495	80.1
81.03421	100.0
81.07056	80.6
83.04985	24.9
83.08620	25.1
85.02905	18.5
85.06541	2.5
91.05484	73.0
92.05824	2.4
93.07047	65.9
95.04959	26.7
95.08613	44.7
97.02898	28.8
97.06544	9.5
97.10203	6.4
97.58646	2.0
99.04450	10.7
99.08125	3.5
100.95102	2.3
103.05502	2.0
105.04585	3.2
105.06322	2.8
105.07035	54.0
107.04988	9.8
107.08595	30.1
109.02890	19.2
109.06538	8.5
109.10163	20.1
109.48480	2.0
111.04436	11.6
111.08109	8.4
113.06029	2.1
115.05451	3.0
117.07028	17.5
119.04963	3.4
119.08584	37.9
121.06540	7.0
121.10150	25.1
123.08099	4.7
123.11734	7.1
125.09575	3.2
127.03935	13.9
128.06238	2.0
129.05537	4.7
129.07025	21.9
131.08575	29.8
133.06511	6.6
133.10124	22.7
135.08113	3.6
135.11703	13.8
137.05939	2.1
137.09592	3.6
141.07010	5.9
142.07808	5.2
143.08588	14.8
145.06548	2.7
145.10124	20.4
147.08107	6.1
147.11700	30.4
149.09688	5.8
149.13275	5.2
153.12767	3.3
155.08589	8.9
157.06598	2.5
157.10138	20.7
159.08070	3.9
159.11678	12.8
161.09724	2.7
161.13301	5.2
163.11259	5.9
165.12820	8.3
167.08516	5.1
169.10201	5.9
171.08180	2.4
171.11772	6.7
173.04518	5.9
173.09583	2.6
173.13303	7.4
174.74913	2.2
175.11264	7.7
175.14868	3.1
177.12816	2.7
181.10214	3.3
181.12296	2.5
183.11736	5.0
185.13284	4.9
187.14850	3.0
191.10670	3.2
193.10548	1.9
193.12274	37.8
195.11798	4.6
195.13715	2.5
197.13315	3.6
199.14886	3.6
209.13310	2.8
211.13249	43.6
227.12787	4.0
229.14383	3.1
259.20868	2.9
261.22147	4.7
267.15985	8.7
269.17609	3.3
283.21048	2.3
285.17166	7.4
293.88840	2.1
301.21887	4.5
304.72656	2.2
324.12994	2.0
335.25937	9.5
355.17749	7.6
369.24353	4.0
387.25259	2.3
405.26373	2.4
411.20313	4.7
443.28348	2.9
461.29422	3.0
509.36362	2.2
527.37256	27.7
545.38647	7.5
579.36682	2.4
635.39404	3.5
653.40839	5.1
671.41412	8.7
689.42554	72.9
690.42902	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	689.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.9
53.03950	14.4
54.87600	1.9
55.01860	9.0
55.05272	3.0
55.05514	42.2
57.03441	16.9
57.07067	6.8
60.08157	6.9
61.02929	12.9
65.03933	7.3
67.05508	79.5
69.03087	2.6
69.03430	32.2
69.07065	31.8
70.95905	4.3
71.01339	2.4
71.04984	13.3
71.07356	2.7
73.02920	5.1
79.05493	74.5
81.03423	93.3
81.07057	96.5
83.04986	21.3
83.08624	16.1
85.02905	17.4
85.06525	5.7
86.09708	30.5
87.10034	4.1
91.03943	5.9
91.05481	71.0
93.07044	78.0
95.04981	14.5
95.08610	53.6
97.02303	2.7
97.02897	40.5
97.06528	15.2
97.10154	6.4
98.98471	3.7
99.04469	11.2
99.08083	4.4
101.02362	2.9
103.03935	2.6
103.05429	3.5
104.10709	2.4
105.04549	3.7
105.07034	58.7
106.90461	2.0
107.04942	7.5
107.08601	42.3
109.02874	14.0
109.06513	7.3
109.10162	19.7
111.04457	6.5
111.08105	5.4
115.05464	4.8
117.07024	32.1
119.04913	2.6
119.07831	1.6
119.08582	47.0
121.06505	4.8
121.10144	34.9
123.04446	3.4
123.08074	3.8
123.11726	9.4
125.00009	20.4
125.09608	4.9
127.03931	13.9
128.06233	7.3
129.05467	8.8
129.06999	23.9
131.04930	2.2
131.08571	49.4
133.06493	7.5
133.10144	34.6
135.08078	4.0
135.11679	18.4
137.09560	4.4
141.06981	7.9
142.07745	3.8
143.08566	28.8
145.06375	2.3
145.10118	36.1
147.08075	4.1
147.11697	38.8
149.05946	2.1
149.09627	8.0
149.13283	9.2
151.11214	3.3
154.07805	3.1
155.08569	16.9
157.06525	2.3
157.10138	24.4
159.08087	4.0
159.11691	32.1
161.09683	2.2
161.13313	11.6
163.11162	4.4
163.14818	2.2
165.12743	9.5
166.07820	2.5
167.08556	5.6
168.09370	3.0
169.10133	18.8
170.10742	1.8
171.11708	23.6
173.04489	18.2
173.09576	4.9
173.13287	15.8
175.11192	6.4
175.14876	4.9
177.12775	4.2
177.16370	2.0
179.08537	4.3
181.10135	12.3
182.10747	2.0
183.11703	20.3
184.07347	96.0
184.08994	5.1
185.07695	12.9
185.09505	4.4
185.13275	14.4
187.11226	4.4
187.14801	6.8
189.12814	3.1
191.14319	2.4
193.10185	3.4
193.12315	2.7
195.11736	9.2
195.13747	3.7
197.13318	13.8
199.05930	2.5
199.11147	4.0
199.14787	10.2
201.16425	2.9
205.10123	3.1
207.11784	4.8
209.13225	9.6
211.11177	3.1
211.13040	3.4
211.14830	8.1
213.12772	2.9
213.16443	4.5
215.14360	3.1
221.13274	5.1
223.14787	5.6
225.16411	4.7
235.14719	3.5
237.16396	4.2
239.17867	2.5
241.19501	4.4
259.20587	8.2
261.22043	9.5
267.15924	12.5
269.17340	5.0
271.20581	4.1
282.19540	2.2
283.20505	3.3
285.16943	5.6
297.22314	2.2
309.22183	2.3
311.23587	3.3
323.24011	2.6
327.22888	2.7
333.24551	10.1
335.25882	10.4
337.16370	2.9
341.25061	2.8
351.23157	4.0
367.22476	3.8
369.24042	2.9
411.20016	4.5
413.21985	3.2
417.31531	3.3
425.34134	2.5
435.32672	14.4
447.31467	2.1
453.33554	8.2
471.34772	9.3
499.38553	2.1
501.35876	3.2
503.37451	3.4
509.36261	9.1
517.39063	5.3
525.35327	3.0
527.37317	100.0
528.37750	3.6
529.38977	4.2
543.35577	3.1
545.38312	13.2
551.37268	2.9
569.37909	4.4
607.39716	2.4
611.39563	3.8
615.38464	2.7
617.38354	2.3
623.81842	2.3
635.39233	7.3
641.40741	2.1
653.40546	11.5
671.41309	17.1
689.42651	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01874	1.2
55.05510	2.5
56.50982	0.4
57.03432	1.9
59.51915	0.4
61.02931	3.5
67.05499	6.5
67.60323	0.4
69.03430	2.6
69.07062	1.8
71.04992	0.9
73.02908	2.1
79.05502	7.6
81.03408	3.2
81.07058	6.3
83.04980	1.3
83.08606	1.4
83.65370	0.5
85.02916	3.9
91.03958	1.6
91.05485	7.5
93.07050	6.8
95.04984	1.6
95.08604	4.3
97.02885	3.5
97.06525	0.7
97.10171	0.6
99.04446	0.9
101.02380	1.5
103.05499	0.5
105.07040	5.1
107.04941	1.0
107.08585	2.8
109.02873	0.4
109.06489	0.5
109.10179	1.3
114.09129	0.5
115.05485	0.7
115.67868	0.5
117.07018	1.9
119.08575	3.8
121.06532	0.6
121.10128	0.6
123.08042	0.7
127.03953	1.4
128.64091	0.5
129.07019	2.0
131.08592	1.0
133.10138	2.0
135.11726	1.0
141.07021	0.9
143.08629	1.4
145.10147	1.7
147.11723	3.4
157.10101	0.5
159.11723	0.8
161.13304	1.3
171.11697	2.3
173.05971	1.4
185.05910	0.5
189.12831	0.7
192.53502	0.5
193.12247	0.8
201.05423	0.7
211.33685	0.4
213.05370	2.7
217.05019	1.3
243.08447	2.0
243.87302	0.5
247.13106	2.0
329.13956	0.9
336.88440	0.5
337.14407	1.9
355.15433	1.4
411.18005	1.1
429.19287	0.6
465.20984	13.7
510.31448	0.5
653.39063	0.7
671.39941	1.2
689.34930	100.0
690.35327	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	688.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
56.05025	0.6
57.07090	0.3
58.06604	0.4
60.07882	0.4
60.08168	6.0
67.05495	1.1
69.07051	0.3
70.01073	0.4
70.01461	0.8
71.07381	3.4
71.08620	0.3
74.49234	0.3
77.68240	0.3
79.05482	0.7
81.03426	0.3
81.07048	0.8
81.62029	0.3
83.08615	0.4
86.09711	28.8
89.06053	0.6
91.05472	0.8
93.07021	0.8
95.04948	0.5
95.08594	0.8
97.10172	0.4
98.98478	2.8
101.15876	0.3
104.10747	2.3
105.07040	0.8
107.08572	0.6
109.10162	0.4
111.08134	0.3
111.30854	0.3
117.07010	0.4
119.08575	0.7
123.08092	0.3
125.00013	20.4
133.10074	0.5
135.08060	0.3
145.10178	0.5
184.07352	100.0
185.07712	0.6
189.12794	0.4
260.32050	0.3
275.20193	0.5
688.45422	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	688.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.1
52.94260	0.1
53.03943	0.2
55.01875	0.4
55.05519	0.9
56.05045	0.8
56.05836	0.1
57.03439	0.3
57.07072	0.3
58.06634	0.4
59.07401	0.1
60.08169	6.2
67.05512	2.3
68.05837	0.4
69.03438	0.5
69.07072	0.4
69.44849	0.4
69.45252	0.2
70.06585	0.1
71.05006	0.2
71.07378	3.8
79.05504	1.6
80.05830	0.3
81.03426	2.1
81.07067	1.7
82.03768	0.2
82.07392	0.2
82.57330	0.1
83.04987	0.5
83.08633	0.5
85.02911	0.1
86.09711	31.8
87.10056	0.2
89.06047	0.2
91.05488	1.2
92.05816	0.3
93.07050	1.8
94.07369	0.2
95.04967	0.4
95.08612	1.0
96.05351	0.1
96.08949	0.2
97.02914	0.5
97.06512	0.2
97.10203	0.2
98.21590	0.1
98.98475	3.5
104.10756	2.2
105.07037	0.8
106.07349	0.2
107.04964	0.3
107.08606	0.9
108.08958	0.3
109.02890	0.3
109.06547	0.1
109.10165	0.8
110.10484	0.3
111.04447	0.3
111.08065	0.2
117.07046	0.3
118.07358	0.1
119.08594	0.7
119.50682	0.1
120.08929	0.2
121.10184	0.6
122.10506	0.1
123.08079	0.2
123.11683	0.1
125.00014	21.9
125.09626	0.2
126.00413	0.1
127.03893	0.2
129.06958	0.2
131.08553	0.4
132.08914	0.2
133.06561	0.1
133.08601	0.1
133.10150	0.4
134.10484	0.1
135.11732	0.4
136.12019	0.2
143.01051	0.1
143.08517	0.2
145.10126	0.6
146.10466	0.2
147.11688	0.2
149.13261	0.1
153.12737	0.3
154.13120	0.1
157.10147	0.1
158.10403	0.1
159.11716	0.2
161.13367	0.1
163.11191	0.3
164.11554	0.2
173.11736	0.1
173.13286	0.2
181.12239	0.2
182.12590	0.1
184.07352	100.0
185.07689	0.7
191.10709	0.1
196.30835	0.1
227.12756	0.3
228.13206	0.1
229.14380	0.4
230.14754	0.3
231.14926	0.1
241.54871	0.1
261.22137	0.2
262.22284	0.2
283.15411	0.1
335.25790	0.3
336.26093	0.1
337.26648	0.2
352.23682	0.1
353.15924	0.1
354.16083	0.1
387.25104	0.1
388.25620	0.1
478.32788	0.1
490.35889	0.2
491.36386	0.3
496.33975	0.2
529.38623	0.2
670.40131	0.2
688.43848	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	688.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59929	2.0
53.03942	9.4
55.01869	3.0
55.05517	18.9
57.03432	12.1
57.07080	2.4
57.97592	1.9
67.05186	2.6
67.05514	35.9
69.07069	8.6
69.23294	2.0
71.04996	6.8
77.01667	1.8
79.05502	51.3
81.03428	48.4
81.07066	40.4
83.04990	20.8
83.08632	19.1
84.42905	2.0
85.02914	14.1
85.06542	3.0
91.04913	2.9
91.05489	50.9
93.07055	47.3
95.04979	26.3
95.08614	20.0
97.06544	4.1
105.07047	35.7
107.04955	7.9
107.08616	16.5
109.06528	5.0
109.10133	2.7
111.08089	6.2
113.05969	2.3
117.07011	7.7
119.08601	24.8
119.80222	2.0
121.06525	3.4
121.10165	8.1
122.26177	2.0
123.08046	4.0
129.07025	17.2
131.08601	10.9
133.06471	3.2
133.10155	13.2
135.09914	2.0
143.08572	4.2
145.10161	6.8
147.08093	3.1
147.11714	26.4
149.09528	3.5
157.10162	11.1
159.08260	2.3
161.13229	8.1
161.40182	2.2
163.11320	2.7
171.11752	14.3
175.11247	10.9
189.12761	8.5
193.12274	26.0
207.13800	17.6
211.13312	37.7
211.32188	2.1
229.35548	2.5
250.18628	2.0
267.15955	38.9
281.17502	47.5
283.15381	3.0
285.16974	33.4
426.87039	2.4
473.29041	100.0
474.29739	2.8
491.30081	69.4
492.21381	2.4
492.30048	2.7
596.95752	2.2
682.80737	2.1
688.39264	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	688.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01880	5.8
55.05283	0.8
55.05518	10.8
57.03442	7.5
57.07081	0.9
59.04985	2.0
61.02919	3.0
67.05509	9.2
69.03426	1.1
69.07060	3.3
71.01337	0.7
71.04984	2.7
73.02898	0.9
74.24564	0.7
79.05070	1.1
79.05497	14.5
81.03426	9.2
81.07066	10.9
83.01353	6.7
83.04994	9.7
83.08630	6.6
85.02908	4.9
85.06530	0.8
91.03984	1.5
91.05489	8.5
93.07050	17.2
95.04973	5.0
95.08623	5.2
97.02895	3.6
97.06520	3.5
99.04436	2.6
105.07048	7.3
106.24939	0.7
107.04958	5.7
107.07974	1.0
107.08615	9.2
107.39876	0.8
109.06535	4.4
109.10165	1.1
111.04461	1.9
111.08140	1.9
117.06990	5.8
119.08591	6.0
121.06501	2.8
121.10179	4.1
123.08082	8.1
125.06001	1.7
125.09595	1.1
129.07060	1.7
131.08553	2.9
133.10109	1.3
135.11699	8.1
136.08252	0.8
145.10130	10.9
147.08075	1.2
153.12752	2.1
155.08629	0.9
163.11195	18.9
172.79813	0.8
173.09631	2.7
181.12271	2.6
191.10684	2.1
195.69235	0.8
209.11787	5.9
227.12750	3.6
283.15424	100.0
283.67804	0.9
284.15738	2.2
324.30624	0.8
491.26462	51.4
492.26489	0.9
494.17813	0.8
631.04443	0.9
669.45398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.6
53.03953	16.4
54.75486	2.4
55.01876	8.6
55.05511	31.3
55.27565	2.2
57.03445	15.2
57.07083	2.7
61.02923	6.2
65.03938	4.2
67.05508	68.0
69.03428	37.9
69.07077	24.1
71.04987	11.8
73.02933	5.4
79.05497	63.3
81.03420	100.0
81.07061	63.7
83.04993	25.5
83.08631	20.7
85.02911	23.3
85.06551	4.9
91.03944	2.9
91.05482	69.7
91.06023	4.4
93.07044	57.2
95.04966	26.6
95.08612	34.9
95.09176	3.0
97.02885	24.6
97.06561	10.7
97.10195	9.1
99.04481	9.8
101.02394	2.2
103.03991	3.2
103.05503	3.2
105.07041	60.9
107.04963	14.1
107.08593	31.1
109.02901	18.5
109.06538	8.5
109.10170	16.1
111.04465	13.3
111.08109	9.0
113.06033	2.3
115.03989	3.4
115.05489	6.3
117.07024	26.9
119.04958	2.4
119.08575	44.0
119.09348	2.4
121.06561	9.5
121.10144	25.4
123.08095	8.8
123.11726	5.9
125.09637	4.7
127.03931	10.5
128.06244	8.3
129.05510	4.3
129.07014	30.5
130.07733	2.9
131.04961	4.4
131.08571	41.5
133.06517	7.8
133.10136	28.9
135.08075	5.9
135.11723	11.6
137.09621	4.8
141.06996	12.2
142.07813	7.0
143.08578	25.4
145.06543	6.5
145.10114	34.4
147.08105	5.7
147.11696	28.0
149.05952	2.8
149.09666	10.3
149.13316	4.7
153.06975	5.8
153.12700	2.9
154.07753	3.2
155.08554	21.1
156.09428	3.9
157.06516	3.3
157.10144	31.5
159.08070	4.0
159.11729	18.9
161.09676	6.5
161.13283	7.5
163.11194	7.9
165.07056	5.6
165.12793	4.6
166.07748	4.2
167.08562	14.2
168.09380	3.4
169.06531	2.7
169.10130	22.1
171.08099	6.6
171.11681	18.6
173.04478	20.0
173.05777	3.6
173.09654	7.9
173.13333	8.9
175.11234	12.2
178.07727	2.6
179.08636	7.8
181.10181	13.9
181.12193	2.8
183.08183	3.5
183.11734	19.9
185.09637	4.4
185.13295	12.2
187.11232	5.0
187.14885	3.5
191.10782	6.2
193.10170	7.5
193.12314	27.8
195.11696	17.6
196.08778	2.8
196.50987	2.5
197.09680	6.8
197.13211	13.1
199.11194	5.3
199.14966	6.7
205.10208	3.5
206.11096	2.3
207.11757	6.9
209.09560	3.1
209.13322	10.4
211.11322	5.0
211.13353	26.5
211.14990	6.6
213.12965	3.0
219.11876	3.4
221.13406	6.4
223.11249	2.9
223.14890	5.8
225.12726	3.9
225.16577	3.5
227.12601	3.9
227.14555	4.5
231.13855	3.1
235.14885	3.4
237.16444	5.0
239.18042	2.8
241.19778	3.7
253.12096	3.0
253.15855	2.6
257.19122	7.8
259.20663	6.8
267.16031	5.1
271.20581	4.5
283.20648	2.5
285.17084	8.5
295.20572	4.0
299.20239	3.0
301.21710	5.7
307.20581	3.1
311.20096	2.4
313.21573	4.8
321.22302	4.6
323.20200	2.5
325.21619	3.5
335.20035	2.9
335.23740	3.0
337.21646	4.2
339.23288	5.1
343.22989	2.8
349.21707	10.0
351.23358	5.3
367.22726	18.8
369.24121	3.6
385.23892	7.3
423.25043	2.4
433.31107	8.0
441.26343	6.2
451.32278	4.3
459.27640	6.8
507.34909	3.8
515.37408	5.5
525.35785	54.9
541.34961	3.6
543.37054	12.3
549.35919	2.8
583.36017	2.8
609.38831	3.6
623.39368	3.0
633.37744	6.7
639.38892	3.9
651.39026	30.7
669.39917	26.7
687.40961	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05257	1.3
53.03955	14.5
53.39940	1.5
54.22844	1.2
55.01875	10.9
55.05272	2.6
55.05517	30.1
57.03448	7.6
57.07081	3.8
59.05012	2.1
65.03951	3.6
67.05510	72.7
68.05849	2.2
69.03430	31.4
69.03780	2.6
69.07069	16.3
69.31374	1.3
71.01360	1.4
71.05006	7.8
73.02946	2.3
74.22601	1.4
77.03902	1.4
79.05496	68.3
81.03423	79.0
81.07059	61.8
83.01357	3.0
83.04989	22.2
83.08631	15.7
85.02900	7.2
85.06552	2.6
87.04491	1.9
91.05485	48.7
93.07050	63.4
95.04982	13.2
95.08611	35.6
97.02897	19.3
97.06541	7.3
97.10161	9.7
99.04444	8.3
103.05461	2.0
105.04506	2.8
105.07034	33.2
105.07693	2.5
106.41777	1.3
106.81452	1.5
107.04971	11.0
107.08598	31.8
109.02882	18.2
109.06511	6.9
109.10166	19.4
111.04466	11.6
111.08109	6.3
113.06043	1.4
117.07024	18.8
119.08586	24.4
121.06528	5.5
121.10150	24.4
122.10509	1.3
123.04453	4.3
123.08086	6.0
123.11738	3.9
125.00016	1.5
125.09634	8.5
127.03934	14.9
128.06253	2.6
129.07011	8.7
130.07831	2.3
131.04988	1.9
131.08588	17.8
133.06490	3.2
133.10126	13.3
135.08089	5.1
135.11691	24.5
137.09642	1.9
137.13300	2.0
139.11298	1.9
141.07097	1.4
143.08575	7.3
145.06493	3.7
145.10132	26.1
147.08040	3.2
147.11703	11.1
149.06012	1.5
149.09645	3.1
149.13261	5.7
151.11145	2.2
153.07076	1.8
153.12752	13.4
155.08620	5.7
157.10155	5.8
158.71362	1.4
159.08101	1.7
159.11668	10.2
161.09601	2.3
161.13304	7.7
161.77924	1.4
163.11197	20.1
163.14793	1.6
167.08569	2.0
169.10112	3.0
171.08083	1.9
171.11751	3.9
173.04456	2.8
173.09639	4.2
173.13278	5.5
175.11241	3.2
177.12770	1.8
181.10172	2.2
181.12282	11.6
183.11720	3.8
184.07417	3.3
185.09581	2.1
185.13350	3.0
187.14818	2.9
189.11255	2.7
189.12843	1.8
191.10690	9.7
193.12299	1.8
197.09648	1.5
197.13374	3.4
199.11215	2.0
199.14839	2.6
205.12338	1.7
207.11832	2.0
209.11653	8.8
211.14763	1.7
227.12772	17.6
229.12430	1.5
229.14394	5.7
230.14702	2.8
243.21103	1.8
259.20621	2.7
261.22070	7.8
272.34695	1.5
283.15527	5.8
301.21600	3.8
317.24734	3.0
323.24155	1.5
327.23431	2.0
335.25815	5.2
336.26230	2.9
353.16003	19.1
369.24426	4.1
405.26431	1.5
409.18881	1.9
443.28067	2.8
461.29541	2.7
490.36356	4.4
515.37598	3.7
525.36334	2.2
543.36969	2.6
613.36426	1.9
651.37872	2.1
669.40112	6.0
687.41003	100.0
688.41034	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	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	3.6
53.03943	16.4
55.01865	13.7
55.05519	45.9
57.03426	14.7
61.02909	6.5
61.42375	3.2
63.05860	2.9
65.03941	7.3
67.05509	79.3
69.03428	35.0
69.07068	22.9
71.04980	14.6
73.02908	6.5
79.05076	4.7
79.05495	62.2
81.03425	100.0
81.07057	65.9
83.04979	24.5
83.08617	26.8
85.02921	21.2
91.04909	4.7
91.05476	69.5
92.05779	4.4
93.07044	65.1
95.04970	24.1
95.08609	36.4
97.02887	19.4
97.06516	12.9
97.10182	9.0
99.04453	9.4
103.05466	4.5
105.06411	4.7
105.07041	62.1
107.04980	17.2
107.08582	30.2
109.02869	18.2
109.06508	9.8
109.10142	19.3
111.04435	11.4
111.08071	9.0
115.05432	6.5
117.07013	26.6
119.04858	4.6
119.08586	47.0
121.06499	6.6
121.10156	22.0
122.95794	3.5
123.08051	6.8
123.11639	5.7
125.09605	5.1
127.03922	9.8
128.06239	12.0
129.05490	3.7
129.07008	33.1
131.08577	40.3
133.06496	10.0
133.10109	26.7
135.08025	7.2
135.11681	12.1
137.05984	5.0
137.09637	4.4
141.06964	12.0
142.07745	7.7
143.08582	29.3
145.06479	7.5
145.10150	33.0
147.08029	6.1
147.11710	23.9
149.09642	11.2
149.13242	3.6
153.06946	4.3
153.12730	4.5
154.07796	5.2
155.08548	21.0
156.09354	3.4
157.06438	4.9
157.10117	23.7
159.08078	7.8
159.11714	23.8
161.06021	6.1
161.09576	4.6
161.13208	7.9
163.07646	3.5
163.11192	8.1
165.07022	6.0
165.09010	3.7
166.07834	4.4
167.08568	9.9
169.10146	20.2
171.08040	9.1
171.11682	18.2
173.04477	16.6
173.05821	4.0
173.09656	8.7
173.13252	13.3
175.07570	3.5
175.11160	11.9
175.14801	6.5
179.08475	6.7
181.06619	4.0
181.10152	13.0
183.11674	12.6
185.09584	5.2
185.13303	14.8
191.10707	5.7
193.10077	8.8
193.12241	24.5
195.11699	13.5
197.09529	4.9
197.13254	12.4
199.11220	4.8
199.14845	6.4
203.10501	3.3
207.11713	8.2
209.13235	7.3
211.11337	5.3
211.13248	32.4
211.15010	5.3
213.12709	5.7
219.11749	7.2
221.13264	6.3
223.14729	7.3
225.16386	3.2
228.04276	3.3
235.14729	4.7
237.16397	5.1
241.19469	8.9
259.20486	5.1
267.15912	6.2
275.19980	8.4
285.16956	7.8
299.20096	3.6
313.21634	5.2
315.23041	7.7
325.21674	5.9
349.21411	6.3
351.23141	4.9
367.22546	13.4
385.23727	6.0
395.25186	4.1
433.31152	4.9
441.26294	9.1
442.36090	3.5
459.27454	4.1
485.33270	3.7
525.35699	27.8
543.36615	11.1
567.34857	4.5
633.37567	10.8
651.38934	21.1
659.38940	5.6
669.39746	30.2
687.28204	4.2
687.40771	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01888	1.2
55.05511	10.5
56.43653	1.3
57.03437	12.4
57.07072	1.5
59.04997	2.7
61.02914	4.5
65.03914	2.8
67.05506	100.0
69.03426	3.0
69.07069	7.2
69.31482	11.6
71.04980	3.4
73.02907	1.4
79.05496	19.9
79.05930	2.3
81.06595	2.3
81.07057	40.0
83.08620	7.9
85.02879	4.3
85.06512	2.6
91.03931	1.5
91.05489	12.6
93.06488	1.7
93.07047	23.7
95.04968	1.9
95.08607	27.6
97.02892	2.6
97.10139	2.1
101.85921	1.2
105.07026	6.9
107.08589	16.7
109.06526	1.6
109.10160	77.0
111.08085	1.9
117.07015	3.7
119.08595	10.7
121.10156	11.0
123.11708	4.7
127.29893	1.2
131.08556	4.7
133.10132	4.8
135.11671	6.8
136.19743	1.4
137.09613	3.9
141.37352	1.2
145.10138	3.3
147.11710	4.9
149.13275	5.0
155.10695	9.9
159.11687	4.1
161.13231	3.0
163.14793	3.3
168.98326	1.2
173.11751	19.4
173.13277	3.7
187.14777	2.2
209.13403	1.1
227.12790	4.0
229.14357	96.6
243.21120	4.2
256.99783	1.1
261.22174	16.1
317.24789	2.5
335.25821	68.8
336.26190	1.9
397.31406	1.3
433.32571	1.2
471.34595	1.5
489.35767	40.7
490.35464	1.7
507.36679	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01888	1.2
55.05511	10.5
56.43653	1.3
57.03437	12.4
57.07072	1.5
59.04997	2.7
61.02914	4.5
65.03914	2.8
67.05506	100.0
69.03426	3.0
69.07069	7.2
69.31482	11.6
71.04980	3.4
73.02907	1.4
79.05496	19.9
79.05930	2.3
81.06595	2.3
81.07057	40.0
83.08620	7.9
85.02879	4.3
85.06512	2.6
91.03931	1.5
91.05489	12.6
93.06488	1.7
93.07047	23.7
95.04968	1.9
95.08607	27.6
97.02892	2.6
97.10139	2.1
101.85921	1.2
105.07026	6.9
107.08589	16.7
109.06526	1.6
109.10160	77.0
111.08085	1.9
117.07015	3.7
119.08595	10.7
121.10156	11.0
123.11708	4.7
127.29893	1.2
131.08556	4.7
133.10132	4.8
135.11671	6.8
136.19743	1.4
137.09613	3.9
141.37352	1.2
145.10138	3.3
147.11710	4.9
149.13275	5.0
155.10695	9.9
159.11687	4.1
161.13231	3.0
163.14793	3.3
168.98326	1.2
173.11751	19.4
173.13277	3.7
187.14777	2.2
209.13403	1.1
227.12790	4.0
229.14357	96.6
243.21120	4.2
256.99783	1.1
261.22174	16.1
317.24789	2.5
335.25821	68.8
336.26190	1.9
397.31406	1.3
433.32571	1.2
471.34595	1.5
489.35767	40.7
490.35464	1.7
507.36679	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	686.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01876	5.0
55.05515	15.7
57.03444	7.2
57.07069	1.4
59.04996	1.4
61.02922	1.2
65.03931	1.8
67.05183	1.9
67.05511	27.1
69.03412	1.5
69.07081	5.8
70.73367	1.1
71.04990	3.0
73.06553	1.2
73.13068	1.2
79.05498	37.9
81.03426	11.8
81.07063	28.3
83.01350	3.8
83.04984	11.8
83.08605	8.6
85.02903	3.9
85.06499	1.2
90.53281	1.1
91.05486	35.1
92.05842	1.3
93.07055	45.5
95.04974	12.6
95.08620	14.9
97.02910	2.3
97.06535	2.6
97.10178	2.5
98.20799	2.1
99.04459	1.3
105.04539	2.2
105.07040	25.6
107.04954	8.7
107.08600	12.9
109.06532	5.1
109.10169	3.0
111.04462	1.6
117.07037	8.1
119.08587	16.9
121.06508	4.0
121.10160	5.9
123.08079	6.2
128.06248	1.8
129.07025	8.8
131.08600	4.4
133.10136	8.6
135.08098	2.0
135.11717	6.4
143.08594	4.5
145.10136	12.3
147.08049	2.8
147.11678	16.7
149.09615	1.2
155.08676	1.3
157.10100	1.2
161.09650	2.2
161.13263	4.6
163.11189	12.4
169.10182	1.5
171.11681	12.2
173.09657	2.3
181.12344	2.1
189.12770	5.3
191.10732	2.0
207.13812	16.0
209.11694	2.7
227.12747	2.7
258.84503	1.2
265.14355	1.9
281.17487	45.8
283.15399	36.0
293.47705	1.1
299.55371	1.3
362.46460	1.3
371.28568	1.1
471.27377	6.5
489.28503	100.0
490.28745	2.8
686.39453	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	685.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01871	6.6
55.05510	42.8
57.03452	19.5
57.07079	47.1
63.08139	3.7
67.05513	38.3
69.03416	16.3
69.07059	18.0
69.20522	9.4
69.20924	34.1
69.72551	3.6
71.04993	10.2
71.08647	28.8
79.05502	20.3
81.03426	98.7
81.06663	4.9
81.07065	54.2
83.04990	100.0
83.08639	27.1
85.02897	16.9
85.10173	18.0
87.04510	4.7
91.05478	27.1
93.07049	15.4
95.05006	20.3
95.08612	32.6
97.02873	13.8
97.06503	6.9
97.10160	6.4
99.04481	7.5
105.07047	21.9
107.04966	6.9
107.08588	7.7
109.02896	10.3
109.06541	4.4
109.10149	15.3
111.04441	29.0
111.08072	8.9
115.92078	4.4
116.14631	3.5
119.08616	20.0
121.10147	11.0
123.08057	5.3
123.11697	7.8
127.03939	7.5
129.05493	32.4
129.07010	10.9
129.17570	3.7
131.08548	9.8
133.10155	10.7
135.04337	4.6
135.11685	6.5
145.10159	6.9
147.11708	22.1
149.09633	7.5
153.12775	5.6
157.10164	15.0
163.03951	8.3
163.11171	7.8
165.12729	5.2
175.11183	12.3
181.12206	4.9
187.03894	4.6
191.10657	11.7
193.12259	46.6
197.60887	3.9
211.13313	48.9
227.12833	20.1
229.14319	11.5
239.23871	7.0
267.15939	18.2
270.32410	4.8
283.15347	6.5
285.16946	16.6
313.27399	63.7
337.14172	4.3
355.17459	8.1
429.21439	22.7
505.38791	9.8
523.39960	79.9
667.43982	20.2
685.43182	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	684.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01867	1.7
55.05517	12.7
57.03428	3.6
65.03939	2.9
67.05182	2.6
67.05505	31.6
68.36341	1.6
69.07056	7.3
69.36372	1.4
71.04971	2.4
71.08618	3.0
79.05493	46.9
80.02921	1.8
81.03426	13.9
81.07059	26.4
83.04967	7.5
83.08614	5.9
83.12101	1.6
85.06541	2.0
91.05475	38.0
93.07043	50.1
95.04977	15.9
95.08604	19.4
97.06522	4.7
97.10161	2.6
99.08072	2.3
103.73344	1.7
105.04417	1.6
105.07043	28.9
107.04938	4.9
107.08598	14.2
109.06502	6.2
109.10152	4.8
111.08113	1.8
117.07024	6.6
119.08577	18.9
121.06479	2.3
121.10149	6.4
123.08053	3.7
129.06973	12.3
131.08609	3.5
133.10123	7.3
135.11681	3.8
143.08554	5.1
145.10104	6.6
147.08018	1.8
147.11693	25.2
159.11703	2.5
161.09592	3.6
161.13280	7.8
163.11208	2.6
167.58534	1.7
170.30070	1.5
171.11679	13.6
179.14339	7.1
189.12747	5.6
207.13792	23.5
236.16251	2.1
242.10869	1.5
277.21594	5.2
281.17505	48.4
296.55301	1.5
407.78043	2.2
461.29230	1.9
469.29428	2.3
487.30557	100.0
543.36835	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.1
55.01880	11.8
55.05514	14.5
57.03446	11.7
57.07080	40.0
65.03925	1.6
65.20963	1.5
67.05178	2.5
67.05507	29.3
69.03438	18.8
69.07069	12.4
69.49621	10.8
71.04994	11.0
71.08633	24.9
79.05501	16.5
80.54161	1.4
81.03423	100.0
81.07066	27.3
83.04989	28.9
83.08637	11.7
85.02902	7.9
85.06569	1.5
85.10193	14.2
91.05489	10.2
93.07048	22.4
95.04977	6.4
95.08616	24.2
97.02898	32.4
97.06551	6.3
97.10185	4.0
99.04453	13.4
105.07071	7.0
107.04959	5.6
107.08614	10.0
109.02882	35.2
109.06521	3.1
109.10174	17.3
111.04449	32.4
111.08068	10.3
117.07038	4.9
119.08581	7.6
121.06574	1.7
121.10121	11.1
123.04393	2.9
123.11681	2.7
125.09721	1.9
127.03938	25.4
129.05498	1.8
129.07027	2.5
131.08582	5.1
133.10103	2.0
135.08084	2.6
135.11713	16.4
137.05983	2.2
145.10132	12.4
147.11699	2.6
149.09610	2.2
153.12758	25.1
155.08533	2.0
163.11195	26.3
173.09669	3.8
181.12254	29.1
183.06569	1.8
187.13620	1.5
191.10693	22.8
201.07558	1.4
209.11707	11.1
227.12784	46.7
227.14981	3.0
239.23698	5.4
257.24936	1.6
283.15433	21.7
301.16541	2.5
313.27386	69.6
335.14752	2.2
353.15994	15.8
371.17047	2.2
409.18524	2.3
421.29535	2.0
427.19647	24.6
521.38611	8.1
539.39185	9.6
665.42493	14.9
683.44061	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	683.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.2
55.01867	11.4
55.05506	15.2
57.03424	12.4
57.07077	41.6
67.05515	33.0
69.03416	14.6
69.07059	9.3
69.18925	3.5
71.04976	9.3
71.08633	22.2
72.39995	3.5
78.82301	4.5
79.05486	22.1
80.43784	3.9
80.68772	4.7
81.03424	100.0
81.07054	32.2
83.01340	4.3
83.04987	26.9
83.08619	15.3
85.02901	6.0
85.10159	13.1
91.05471	12.1
93.07052	25.8
95.04960	8.1
95.08616	25.6
97.02917	26.9
97.06538	8.3
97.10167	6.2
98.20737	12.3
99.04453	11.5
105.07039	9.4
107.04932	4.0
107.08606	10.9
109.02895	29.5
109.10165	20.2
111.04448	30.8
111.08086	10.0
116.85445	3.7
119.08596	8.9
121.10146	9.5
127.03933	21.0
131.08606	7.4
135.11697	17.5
145.10107	11.8
153.12744	18.4
155.08743	4.3
163.11166	20.3
173.09669	5.5
181.12250	25.7
191.10652	25.6
209.11777	7.6
227.12804	42.6
239.23604	6.0
283.15457	26.4
288.37692	4.0
313.27393	69.9
314.27560	6.3
320.63025	4.4
353.15948	15.1
359.25772	4.9
402.23523	3.9
427.19473	19.7
521.38470	6.8
539.39142	11.3
665.42572	16.7
683.43481	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	681.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01859	0.7
55.05496	1.1
57.03432	1.6
61.02926	3.7
61.33554	0.4
67.05512	4.5
67.38029	0.4
69.03426	2.8
69.07068	1.1
69.51355	0.5
69.88696	2.0
71.01339	0.6
71.05018	0.7
73.02920	2.5
79.05487	3.2
81.03419	5.0
81.07060	5.8
83.04977	1.3
83.08627	1.6
85.02913	4.4
85.06520	0.4
91.03959	2.4
91.05487	3.4
93.07040	3.5
95.04993	2.2
95.08611	1.4
97.02885	3.5
97.06534	0.9
99.04459	0.9
101.02380	1.5
103.04000	0.4
105.07027	2.2
107.04958	0.8
107.08597	2.5
109.02883	1.0
109.06537	0.4
109.10191	0.5
111.04461	0.7
111.08089	0.6
117.07014	0.5
119.08573	2.4
121.10159	1.3
123.08087	0.4
127.03970	1.4
129.07024	1.0
131.08609	1.9
133.10162	1.8
135.11635	0.5
135.16234	0.4
143.08517	0.6
145.10234	0.4
147.11678	1.2
149.09668	0.8
149.13281	1.2
157.10202	1.2
159.11658	0.6
175.11217	0.8
177.05443	0.5
177.12729	0.5
185.04187	0.4
185.13301	0.4
193.12387	1.0
195.13855	0.6
211.13441	0.7
235.13210	0.7
236.63631	0.4
243.08365	2.4
251.12593	0.6
336.77975	0.4
372.32007	0.5
453.20920	5.8
469.20462	7.8
681.34564	100.0
682.34802	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	681.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01871	1.3
55.05507	1.9
57.03428	1.8
61.02937	3.3
67.05508	6.7
69.03419	3.1
69.07044	0.9
69.46350	5.0
71.04996	1.3
73.02924	3.3
79.05489	3.9
81.03439	4.1
81.07057	7.4
83.04980	1.7
83.08612	1.0
85.02914	5.2
91.03966	2.9
91.05495	3.9
93.07049	4.0
95.04971	2.1
95.08620	1.7
96.96594	0.7
97.02882	5.0
98.14644	0.7
98.21523	1.3
99.04496	1.5
101.02376	1.6
105.07037	2.4
107.05005	0.8
107.08591	3.1
109.02861	0.9
109.06496	1.1
111.08086	1.2
117.07036	1.6
119.03228	0.7
119.08588	2.6
121.10169	1.4
123.08080	0.7
125.06077	0.7
125.09572	0.9
127.03919	0.9
131.08601	1.8
133.06581	0.8
133.10133	1.7
137.05937	0.6
138.39250	0.6
145.10158	0.9
147.11662	1.2
149.13330	0.9
157.10208	0.7
159.11678	1.4
193.12192	1.7
195.13876	1.8
197.39467	0.7
211.13324	0.9
234.37640	0.7
235.13040	0.9
243.08456	1.9
251.12526	0.8
435.12067	0.7
453.21048	7.5
469.20590	6.2
634.61053	0.7
681.34552	100.0
682.35406	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	679.3303
Annotation	Toxiusol
Peak:m/z	Relative Intensity
53.03936	0.8
55.01881	0.8
55.05505	1.3
57.03439	1.7
59.05012	0.4
60.08174	0.4
61.02934	4.2
67.05507	4.9
69.03428	2.2
69.07068	1.3
70.14721	1.5
71.01353	0.5
71.05009	0.6
73.02916	3.0
79.05495	2.6
81.03421	2.1
81.07058	5.2
82.73711	0.4
83.04977	0.5
83.08618	1.3
85.02906	3.8
86.09709	1.1
91.03960	1.9
91.05479	1.8
93.07045	5.3
93.07587	0.6
95.04984	0.8
95.08618	1.4
97.02884	3.3
97.03375	0.3
97.06531	0.8
99.04446	0.6
101.02370	1.7
105.07050	0.6
107.04984	0.7
107.08617	2.7
109.02911	0.6
109.06516	0.5
109.10170	0.4
111.04499	0.4
117.07017	0.9
119.08618	0.8
121.10162	1.3
122.15287	0.4
125.00040	0.8
125.09652	0.3
127.03941	1.1
131.08609	1.0
133.10161	0.9
135.07895	0.4
135.11708	1.0
145.10161	1.1
147.08090	0.3
149.13260	2.2
159.11760	1.0
163.11244	1.2
173.09677	0.5
177.12788	0.4
181.12357	0.4
184.07361	3.7
185.07707	0.5
195.13948	0.6
209.11700	0.6
212.55176	0.4
221.15337	0.4
223.64241	0.4
235.13167	0.8
243.08327	2.2
269.17520	0.8
283.15524	0.7
450.29654	0.6
453.20993	8.6
462.92072	0.4
467.19006	4.7
482.31650	0.6
499.89407	0.3
522.30585	0.4
606.95306	0.4
628.91217	0.4
679.32996	100.0
680.33466	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	679.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03949	3.0
53.54492	0.5
53.99865	0.5
55.01861	1.4
60.01714	0.5
65.78709	0.5
67.05494	1.6
69.03430	3.7
71.04975	1.4
71.49413	0.7
74.25405	0.4
77.03921	1.2
79.05499	2.6
81.03405	1.4
81.07063	1.2
85.02913	3.0
86.61505	0.5
88.48590	0.7
89.03899	0.8
91.05480	2.1
93.07034	2.7
95.04971	58.9
97.00385	0.4
97.02888	12.1
102.58191	0.5
103.05479	4.3
105.04514	2.1
105.07021	1.0
107.04960	16.7
109.02903	2.4
109.06557	0.6
115.05465	0.7
117.07011	2.7
121.06509	7.0
123.04434	11.2
125.02361	22.2
125.03287	1.1
125.05981	2.3
127.03935	0.9
128.06235	0.7
131.04887	1.4
135.04434	2.1
136.69366	0.5
137.05948	0.6
143.07323	1.8
144.08087	100.0
145.08423	0.8
147.04369	0.6
149.05981	10.7
151.03906	50.5
153.05414	3.0
156.08109	1.3
157.08804	0.8
159.04463	1.5
163.03920	4.5
167.07118	0.8
170.09677	1.6
177.05476	5.5
180.07942	1.0
181.04947	0.6
181.08868	0.7
194.09651	1.6
195.06541	12.0
222.09222	1.3
223.09906	0.8
224.10716	1.6
250.08621	0.8
251.09503	0.8
268.09683	6.9
268.97089	0.6
269.10681	0.8
290.40604	0.6
306.13165	0.6
320.12756	0.9
326.61249	0.5
338.13678	0.6
387.17035	2.4
415.16882	1.0
447.19186	10.6
477.82449	0.5
500.19064	6.0
517.23383	1.2
619.26367	4.8
647.25958	5.6
679.28625	76.4
680.29340	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	679.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01870	4.9
57.03437	7.3
61.02929	10.1
64.92878	1.6
69.03434	31.0
71.05005	3.2
71.48267	3.1
72.05562	2.1
73.02916	4.0
79.05486	2.3
81.03439	12.8
85.02908	69.6
87.04483	5.8
91.03963	6.9
95.04966	4.8
95.47910	1.7
96.29734	1.6
97.02891	29.3
98.81884	1.8
99.04465	4.1
103.05483	3.2
107.04952	3.3
109.02892	10.4
123.04452	3.8
127.03918	15.7
129.07030	3.4
130.06526	16.6
131.04941	2.9
132.08116	4.4
133.02840	2.3
133.06516	7.9
143.07330	5.0
144.08089	89.6
145.04961	9.5
151.03909	15.1
155.07336	6.1
156.08093	25.0
157.08943	3.3
158.06116	2.1
158.09663	12.0
159.04446	2.5
163.03850	9.1
163.06049	3.8
165.05556	2.1
167.07237	10.6
168.08096	20.9
169.08867	10.3
170.09650	23.0
171.09247	3.3
177.05534	3.3
178.07816	2.5
179.07239	1.9
180.08093	20.4
181.08922	10.7
182.09654	10.8
184.07620	2.8
192.08171	2.5
193.08966	5.4
194.09657	33.9
195.06595	3.8
195.10399	4.8
196.11325	3.6
204.08136	7.3
205.08954	5.4
206.09738	6.1
208.07657	5.1
208.11102	2.5
210.09265	5.7
212.10861	3.5
217.08913	3.6
218.09717	2.5
220.07732	3.1
220.11383	3.0
222.09171	38.3
223.09947	21.2
224.07004	2.6
224.10788	8.3
225.11572	4.4
231.10442	4.0
234.09180	3.5
234.12976	2.7
236.07190	2.2
238.08635	10.2
244.11383	2.4
246.12831	5.4
250.08632	19.3
251.09422	22.1
262.12271	2.7
264.10367	2.0
264.13953	5.4
267.11490	3.6
268.09665	15.2
269.10562	8.1
274.12430	5.0
276.13940	4.0
280.13525	3.3
282.14890	3.9
285.12424	4.8
290.11777	5.1
292.13333	2.0
294.15100	2.6
302.11853	7.2
308.12790	15.8
311.05573	2.0
320.12790	19.5
326.13916	30.1
337.15567	8.1
338.13885	34.1
355.16544	12.3
385.12634	10.3
386.94110	1.9
444.41443	1.9
482.18423	2.1
488.18991	2.9
489.09967	2.1
498.17871	5.7
500.19196	50.3
517.21710	12.7
650.24670	6.8
662.24359	66.8
663.24176	3.8
679.27130	100.0
680.27704	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	678.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68793	1.0
53.03947	2.0
55.01870	4.0
55.05519	6.6
55.05746	1.6
57.03441	6.8
59.33988	0.9
60.08155	1.5
61.02919	2.6
61.51632	1.1
65.03936	1.8
67.05508	25.7
69.03414	4.7
69.07079	7.8
71.04989	4.1
73.02921	1.0
79.05502	17.3
81.03429	26.6
81.06601	1.3
81.07062	26.4
83.04995	10.5
83.08640	7.6
85.02909	11.1
85.06528	3.2
86.09721	7.1
91.05488	32.0
93.07050	14.5
94.84524	1.1
95.04977	12.2
95.08616	7.1
97.02882	3.4
97.06555	2.2
97.10158	2.0
101.38119	1.1
104.10663	1.1
105.07043	25.3
107.04947	3.7
107.08597	18.6
109.06522	5.5
109.10171	32.5
111.08068	4.5
113.06007	2.3
117.07004	2.0
119.08616	8.0
121.10188	5.0
123.08064	2.5
123.11726	6.9
125.00008	4.7
127.07553	2.0
129.07025	4.4
131.08553	6.8
133.06462	1.8
133.10144	49.9
135.08046	1.2
143.08536	1.5
145.10162	1.6
147.11661	5.1
149.09671	2.0
151.11203	20.1
157.10199	5.3
161.09628	1.6
169.12247	3.9
175.11165	6.4
179.10640	1.3
184.07359	23.0
193.12242	19.4
206.73865	1.1
211.13315	36.2
215.12762	2.8
253.14374	100.0
253.99052	1.1
254.14688	1.9
259.17188	1.0
267.15958	6.5
271.15421	21.8
276.88730	1.1
284.26010	1.3
285.16989	24.2
339.48663	1.3
352.18552	1.6
445.26010	5.9
463.26923	17.2
481.28012	54.8
482.28470	2.2
610.81750	1.2
679.32507	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	678.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.8
58.06628	0.5
59.07364	0.2
60.08164	6.1
64.37404	0.2
67.05493	0.4
67.12375	0.1
70.06592	0.2
70.80774	0.2
70.81091	0.2
71.07372	3.4
78.72090	0.1
79.05489	0.3
81.03407	0.4
81.07030	0.2
86.09708	31.9
87.10025	0.2
91.05475	0.5
97.58001	0.1
98.98464	3.5
104.10744	2.6
105.07030	0.4
117.06918	0.2
119.08535	0.2
125.00007	20.2
129.07013	0.2
133.10083	0.2
143.01038	0.2
167.73834	0.2
184.07343	100.0
185.07724	0.6
193.12186	0.1
199.84233	0.1
285.16858	0.2
450.22800	0.2
468.23282	0.2
481.28030	0.3
578.25360	0.1
660.35291	0.3
678.36157	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05510	17.2
57.03426	6.5
57.07073	4.6
61.02933	15.5
65.03951	3.6
67.05507	89.5
69.03421	5.0
69.07076	19.3
69.28781	23.0
71.05004	5.3
71.08624	3.5
73.02913	8.4
78.73909	2.7
79.05498	58.9
79.30061	2.9
80.05445	2.5
81.03407	5.4
81.06602	5.5
81.07062	100.0
83.08628	9.3
85.02912	23.3
91.03959	18.5
91.05481	28.2
93.07044	66.1
95.04919	3.3
95.08617	81.5
97.02869	15.5
97.10170	5.1
105.07031	19.6
107.08595	38.3
109.10168	37.2
117.07010	9.8
117.07796	3.0
119.08587	20.7
121.10152	38.3
123.11698	15.5
125.09707	4.2
126.14516	2.9
127.03922	7.4
131.08571	22.4
133.10146	19.5
135.11729	30.2
137.09578	3.5
137.13295	7.9
145.04916	4.7
145.10133	16.0
147.11690	13.5
149.13306	18.3
159.11699	10.4
161.13274	8.1
163.06024	10.5
163.14763	15.5
173.13249	16.7
175.14801	3.5
177.12700	3.0
177.16377	5.1
179.14252	3.8
179.35269	3.1
187.14813	8.9
243.21153	32.1
261.22141	92.7
335.25824	37.0
353.26984	28.1
416.30994	3.7
493.60648	3.2
497.30984	5.4
677.34235	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.1
55.01871	0.2
55.05518	0.3
56.05031	0.8
57.07079	0.3
58.06595	0.3
60.08165	5.7
63.70071	0.1
67.05489	0.7
69.07063	0.4
69.25095	1.5
70.06590	0.2
71.07373	3.0
74.06071	0.2
74.09723	4.8
79.05480	0.5
81.03414	0.5
81.07052	0.6
83.08616	0.2
86.09706	31.4
91.05489	0.5
93.07043	0.4
95.04967	0.2
95.08617	0.6
97.10205	0.2
98.20727	0.3
98.98470	3.7
104.10747	2.3
104.76924	0.1
105.07042	0.3
107.04933	0.2
108.05199	0.2
119.08595	0.3
121.10174	0.2
125.00005	21.2
133.10165	0.3
143.01100	0.2
143.64264	0.2
163.11148	0.2
166.05197	0.2
184.07341	100.0
185.07690	0.5
193.12192	0.3
275.19965	0.2
368.25186	0.2
445.94104	0.2
504.37811	0.5
566.44128	0.2
676.45465	6.9
677.45483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01872	1.9
55.05512	14.0
57.03439	10.0
61.02919	3.2
65.03946	1.9
67.05508	33.2
68.64766	0.9
69.03426	3.3
69.07076	10.8
69.29160	7.8
71.04989	3.3
71.90012	0.9
79.05494	24.8
81.03419	34.8
81.07058	44.3
81.07538	2.3
83.04985	11.1
83.08617	19.5
85.02912	16.4
85.06541	2.0
91.05480	22.6
93.07043	30.8
94.51430	0.9
95.04972	14.3
95.08605	13.2
97.02894	4.0
97.06520	5.1
97.10159	3.2
105.07035	15.7
107.04974	3.4
107.08599	17.0
109.06500	3.7
109.10183	1.9
111.08049	7.0
113.06027	1.1
115.05473	1.2
117.07037	4.2
119.08588	8.8
120.23103	0.9
121.06532	1.9
121.10145	10.3
123.08046	1.5
123.11723	2.9
123.59962	1.1
124.86225	1.0
125.09624	1.3
129.07021	6.1
131.08563	10.6
133.06494	1.4
133.10120	13.8
135.11702	4.4
136.21719	1.0
142.07785	2.3
147.11697	8.0
149.09608	3.1
149.13263	8.0
151.11224	1.2
157.10161	8.4
159.11674	4.5
163.11154	1.3
165.12802	2.3
175.11179	9.0
177.12692	1.8
184.07394	1.2
193.12256	24.5
195.13846	7.8
211.13287	38.2
213.15050	1.2
228.13698	1.0
252.29628	1.0
267.15924	13.7
269.17471	42.8
270.17932	1.5
285.16980	40.0
330.95837	1.0
440.24429	1.0
443.27997	2.3
461.28870	18.4
479.30063	100.0
480.30307	4.0
498.18140	1.0
645.36731	1.0
676.26770	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	676.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
54.16827	1.0
55.01624	1.0
55.01876	2.8
55.05520	14.2
56.37242	1.1
57.03441	15.5
57.07080	2.2
61.02923	3.9
65.03937	1.5
67.05512	46.1
69.03419	3.3
69.07076	14.8
71.04997	6.3
71.08582	2.9
73.02923	2.0
79.05502	31.0
81.03427	44.7
81.07066	57.5
83.05000	13.1
83.08630	26.9
85.02915	19.8
85.06551	3.3
91.03989	2.7
91.05491	33.9
93.07054	40.9
95.04983	22.8
95.08612	15.8
97.02898	4.1
97.06527	9.0
97.10164	2.8
99.08108	2.5
105.07041	20.3
107.04958	5.8
107.08606	21.4
109.06546	2.8
109.10175	3.3
111.08089	10.1
113.05989	2.3
115.05479	2.0
117.07034	4.7
119.08594	12.1
121.06554	2.5
121.10158	12.1
123.08062	1.7
123.11747	3.1
125.09606	1.7
129.07033	9.4
131.08601	14.1
133.06500	1.3
133.10121	10.6
135.08128	1.9
135.11703	5.2
142.07791	1.8
144.62949	1.2
145.10112	1.6
147.08034	1.8
147.11691	9.5
149.09653	5.8
149.13283	16.8
157.10175	11.3
159.11713	8.8
165.12746	3.0
175.11206	11.6
177.12814	2.8
193.12262	27.3
195.13855	7.6
205.14912	1.1
207.75069	1.1
211.13318	47.6
211.15331	2.6
215.53372	1.2
235.98343	1.0
249.14970	1.7
251.16385	1.2
262.43579	1.3
267.15955	29.0
269.17493	56.8
270.17883	1.4
285.16992	41.5
435.27679	2.3
461.29028	49.5
462.29453	1.3
479.30112	100.0
480.30325	3.1
496.17300	1.6
676.26807	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	675.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01876	3.6
55.05510	22.2
56.50266	2.1
57.03448	4.6
57.07080	8.1
60.83419	2.2
62.06888	2.2
63.92149	2.1
67.05502	18.3
69.03417	4.4
69.07068	25.5
69.87100	5.5
69.87491	4.9
69.91492	2.4
71.05004	2.3
71.08646	6.4
74.09727	6.7
79.05495	14.5
81.03421	48.2
81.07058	18.1
83.04993	5.4
83.08630	27.2
86.09700	3.5
91.05470	14.8
93.07047	10.2
95.04976	14.1
95.08601	8.0
97.06530	3.8
97.10182	12.8
98.20824	2.9
98.98469	16.8
101.06033	2.2
105.07041	11.1
107.04939	4.1
107.08609	7.2
109.04679	2.2
109.06512	2.6
109.10166	5.8
115.05472	3.2
117.07018	3.4
119.08580	9.5
121.10171	6.2
129.06990	6.2
131.08595	6.5
133.10109	4.6
135.11694	3.3
140.87106	2.3
145.16040	2.2
147.11691	4.9
149.09599	2.2
155.01030	3.1
157.10143	5.3
173.09544	3.3
175.11223	3.7
184.07350	15.3
193.12260	15.6
228.84727	2.4
237.05643	2.3
249.14970	2.4
267.15918	10.6
311.25922	10.8
503.37326	100.0
504.37994	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01876	7.6
55.05515	23.2
56.90228	0.9
57.03444	4.7
57.07079	7.4
67.05507	17.7
69.03419	2.8
69.07072	24.4
71.04982	2.0
71.08624	4.5
71.49400	0.9
71.49793	1.0
72.08137	1.1
73.02895	1.3
74.09708	1.5
79.05503	13.0
81.03425	37.9
81.07066	18.8
83.04996	5.3
83.08622	25.0
91.05479	15.0
93.07050	10.1
94.07417	1.3
95.04979	11.6
95.08615	10.3
97.02880	2.0
97.06539	3.3
97.10173	13.0
98.98472	47.7
105.07037	9.9
107.04958	4.0
107.08598	6.0
109.06529	2.3
109.10150	3.8
111.04474	1.5
111.08071	4.0
111.11720	3.7
115.05432	1.4
115.09133	1.0
117.07024	1.7
119.08596	8.6
121.06557	2.0
121.10149	7.6
121.70847	1.1
123.11674	1.2
125.09641	1.3
129.05515	1.2
129.07002	6.0
131.08565	4.8
133.10132	3.7
135.07994	1.7
135.11697	4.2
137.00015	2.3
137.05911	1.3
142.07713	1.3
147.08061	2.3
147.11711	5.0
149.09624	3.2
155.01062	8.8
157.10109	6.6
165.12683	2.0
173.02121	5.3
175.11185	7.4
183.00510	1.2
184.07292	2.5
193.12251	17.2
211.13310	2.3
237.22102	5.3
249.14926	3.3
267.13068	1.6
267.15933	31.0
268.16165	1.2
311.25800	25.0
347.12543	2.5
403.14789	1.2
475.37845	1.2
485.36209	1.8
503.37335	100.0
504.37497	3.8
675.21240	2.3
675.43689	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	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.9
55.05518	13.4
57.03190	1.1
57.03444	9.6
57.07079	1.1
59.05022	1.9
61.02920	3.0
65.03938	1.7
67.05513	26.8
67.40942	1.1
69.06725	1.1
69.07072	9.0
69.36161	6.3
71.04983	3.4
73.02921	0.9
79.05502	25.1
81.03427	6.4
81.06593	1.9
81.07065	35.9
83.01351	3.1
83.04998	8.0
83.08624	9.5
85.02904	4.7
85.06535	2.4
88.21130	0.8
91.05496	13.4
93.07053	29.0
95.04987	5.2
95.08612	9.3
97.02887	2.6
97.06544	6.9
97.10143	1.2
98.21531	1.8
99.04448	1.4
99.08081	2.1
105.07053	6.8
107.04975	5.8
107.08611	16.6
109.06520	4.9
109.10186	2.1
111.04467	2.1
111.08100	4.9
117.07036	7.8
119.08595	5.2
121.06528	3.0
121.10150	10.3
123.08082	5.4
123.11736	1.2
129.06970	1.0
130.07777	1.2
131.08556	4.0
133.10162	4.6
135.08131	2.1
135.11691	6.3
145.10159	6.8
149.13301	11.7
153.12755	1.4
159.11678	5.0
163.11211	10.6
173.09647	2.6
177.12732	2.5
181.12268	2.0
191.10640	1.2
195.13820	7.2
209.11823	3.4
227.12836	1.6
247.90779	1.2
269.17508	52.8
283.15424	42.7
359.78345	0.9
459.27261	2.0
461.20300	1.0
477.28531	100.0
478.28702	3.8
504.25574	1.0
555.56244	0.9
674.35107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05512	11.6
57.03438	8.8
57.07063	1.3
59.04991	1.8
60.58699	0.8
61.02919	3.6
67.05507	26.1
69.03424	1.9
69.07069	6.5
70.06583	0.9
70.97967	1.7
71.04980	3.6
71.30679	0.7
73.02906	1.7
73.33382	0.7
79.05496	21.3
81.03421	11.0
81.07059	35.4
83.01360	3.7
83.04978	7.5
83.08620	12.5
85.02901	5.7
85.06542	1.7
87.79266	0.7
88.07635	0.9
90.39093	0.6
91.03960	1.4
91.05490	13.9
93.07044	28.4
95.04955	5.3
95.08611	9.5
97.02897	3.0
97.06529	5.8
97.10168	1.3
99.04449	1.6
103.05518	0.9
105.07043	7.2
107.04953	4.9
107.08593	15.6
109.06497	4.6
109.10119	2.6
111.04449	1.3
111.08071	2.5
117.07036	7.0
119.08609	6.3
121.06508	2.6
121.10151	8.0
122.98383	0.7
123.08059	4.2
123.11678	1.4
125.06051	0.8
129.07007	1.3
130.07722	0.9
131.08551	5.5
133.10150	6.4
135.08057	1.2
135.11705	9.1
145.10121	7.8
147.08063	1.2
147.11674	1.2
148.56740	0.7
149.09616	1.0
149.13240	6.2
155.08586	1.4
157.10196	1.0
159.11708	3.1
163.11198	10.9
166.95413	0.7
173.09654	2.1
177.12729	1.6
181.12186	1.1
182.28290	0.6
191.10611	1.0
193.12225	2.3
195.13779	6.1
209.11685	2.9
227.12759	1.2
228.23233	0.9
267.15927	6.1
269.17493	33.4
279.26468	0.7
283.15408	43.7
284.15494	0.9
385.23895	0.9
459.27460	2.9
477.28500	100.0
478.28882	4.7
674.35724	1.8
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
51.61864	2.2
55.01870	7.0
55.05517	25.9
56.07961	2.4
57.03441	16.2
59.04995	2.8
61.02919	5.9
65.03939	4.9
66.32084	2.5
67.05513	51.9
69.03423	10.1
69.07072	22.2
71.04996	8.6
71.47980	3.6
73.02931	3.9
73.76128	2.6
77.96145	2.5
79.05498	54.9
81.02990	4.3
81.03432	54.8
81.07066	51.0
83.01344	3.2
83.04993	29.9
83.08629	17.8
85.02899	14.2
85.87508	2.6
91.05491	70.4
93.07057	45.3
95.04994	26.3
95.08595	21.2
97.02897	10.8
97.06536	9.8
98.03218	2.5
99.08130	4.3
105.07047	43.3
106.76385	2.8
107.04955	22.4
107.08620	13.3
109.06538	7.9
109.10169	9.4
111.04465	3.1
111.08096	7.1
115.05407	3.7
117.07034	7.8
119.08594	30.6
120.08887	2.8
121.06538	3.2
121.10148	11.6
123.04454	2.5
123.11746	2.8
129.07030	15.4
131.08591	18.9
133.06531	3.1
133.10155	29.8
134.10463	2.7
135.08095	4.2
135.11713	7.5
137.13306	3.1
142.07788	5.2
145.05051	3.0
145.10132	10.9
147.08043	8.5
147.11696	17.1
148.95232	2.6
149.09578	5.4
151.11218	3.4
157.10165	17.6
159.11703	5.0
161.58675	2.6
163.11192	12.6
165.12744	4.0
173.02240	2.5
175.11182	15.4
179.29398	2.5
184.07353	8.2
193.12274	37.8
204.06560	4.8
209.11745	3.2
211.13312	25.2
213.05519	2.7
227.12772	4.5
267.15948	88.2
269.17545	18.3
275.20111	7.1
276.20535	7.3
283.15439	17.4
285.16937	17.9
317.14883	22.6
318.15231	16.7
349.23486	2.6
436.02356	2.5
459.27444	60.1
460.27798	5.3
477.28574	100.0
478.29050	3.9
639.67200	2.4
642.26654	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	673.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
55.01874	6.4
55.05513	24.2
57.03439	6.4
57.07075	4.3
65.03938	7.2
66.25435	1.5
67.05508	83.9
69.03432	32.6
69.07070	27.7
69.81037	4.0
69.81453	3.5
70.23576	1.3
71.05002	6.7
73.02885	1.8
77.03905	2.1
79.05498	64.1
81.03421	29.9
81.07059	100.0
83.04976	10.6
83.08620	15.5
84.78318	1.4
85.02921	6.3
85.06565	4.6
91.04905	2.8
91.05486	65.8
93.07050	71.7
95.04974	13.0
95.08613	43.3
97.02890	7.1
97.06535	10.7
97.10182	4.8
99.04472	5.5
99.08093	2.6
103.05466	3.0
105.04509	3.6
105.07039	41.0
107.04959	7.0
107.08601	39.6
109.02915	7.3
109.06543	6.3
109.10173	14.7
111.04460	4.7
111.08096	6.2
113.06055	3.1
115.05466	4.1
117.07033	22.6
119.04965	2.1
119.08588	28.3
121.06499	7.0
121.10144	26.4
123.04436	1.9
123.08105	6.8
123.11745	6.2
125.09651	3.6
127.03944	3.9
128.06270	2.7
129.05531	3.2
129.07010	11.3
130.07832	2.3
131.04970	3.4
131.08572	29.7
131.09537	2.0
133.06529	4.8
133.10150	22.2
134.10432	1.4
135.08090	5.5
135.11690	16.4
137.06036	2.0
137.09613	4.3
139.11296	1.4
141.07036	3.2
141.09117	1.7
142.07803	3.5
143.08574	10.6
145.06534	5.3
145.10133	17.8
147.04492	1.9
147.08046	7.7
147.11697	14.8
149.09659	4.3
149.13271	21.2
155.08560	7.0
157.06537	2.5
157.10164	9.3
159.08124	4.3
159.11696	20.9
161.09612	3.8
161.13214	8.1
163.07587	2.4
163.11240	5.8
165.12778	3.7
167.08575	3.6
169.10126	6.9
171.08038	2.0
171.11768	7.3
173.09676	2.5
173.13318	6.5
175.11266	4.2
175.14877	2.1
177.12753	8.2
179.08664	1.5
181.10172	1.9
183.11725	4.8
185.07855	1.5
185.09546	3.0
185.13252	7.5
187.11264	1.7
187.14900	3.9
189.11104	1.5
189.12758	3.0
191.14398	1.6
195.11969	2.9
195.13876	9.6
197.13321	3.5
199.11200	3.6
199.14906	3.6
201.12822	3.0
203.14307	2.1
207.13881	1.7
209.13405	2.5
211.14900	2.6
213.12810	3.4
213.14752	2.3
215.14371	2.6
219.13916	1.7
221.15677	1.8
223.14813	2.3
233.15408	1.8
235.16914	1.8
239.14357	1.7
259.20618	2.6
261.22247	4.5
269.17517	17.1
273.22241	3.1
275.23853	1.6
277.21780	4.3
291.23245	2.2
301.21835	6.6
315.23584	2.0
319.22775	3.7
323.23492	1.6
327.23404	3.1
335.26086	3.5
339.18094	3.6
341.24713	3.2
345.24411	3.2
351.23462	5.0
369.24243	12.5
371.25912	2.1
387.20950	1.9
387.25327	7.8
395.20758	5.6
405.26630	2.0
425.27429	1.8
443.28204	5.6
461.28842	7.9
529.39026	2.6
563.36890	1.6
637.41089	6.4
655.41821	8.4
673.43213	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	673.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.3
53.03949	12.2
55.01871	7.1
55.05510	26.3
57.03435	10.3
57.07060	4.5
57.78752	1.6
65.03939	7.6
67.05508	86.3
69.03098	2.6
69.03434	35.6
69.07073	24.4
71.04979	5.4
79.05495	77.8
80.05843	2.5
81.02990	2.7
81.03422	32.3
81.07058	100.0
83.04987	11.0
83.08622	16.4
85.02917	5.6
85.06546	5.5
85.88634	1.5
86.09703	2.8
87.04443	2.2
91.05484	62.3
93.07047	72.2
95.04967	17.9
95.07990	2.2
95.08610	44.8
97.02862	8.0
97.06525	9.0
97.10143	4.6
99.04458	4.3
99.08094	4.1
102.15199	1.7
103.03914	1.5
103.05457	2.3
105.07033	48.4
107.04953	10.0
107.08601	40.8
109.02876	5.8
109.06517	9.3
109.10136	15.3
111.04437	6.1
111.08092	8.7
113.05971	3.0
115.05433	3.0
117.07011	23.2
119.08582	28.1
121.06489	7.2
121.10152	23.6
123.04412	2.6
123.08083	4.1
123.11694	5.9
124.99986	4.3
125.09626	2.9
127.03899	4.0
128.06235	3.9
129.07010	10.3
131.08575	31.4
133.06488	5.7
133.10138	28.2
135.08029	7.4
135.11684	20.3
137.06039	2.1
137.09645	3.5
139.11166	1.9
141.07011	4.3
143.08586	12.3
145.06458	6.1
145.10144	17.2
147.08002	6.6
147.11696	18.4
149.05916	2.6
149.09659	3.9
149.13283	17.9
151.11191	3.3
155.08528	5.9
157.06569	2.4
157.10120	6.8
158.10417	2.1
159.08057	2.8
159.11708	20.5
161.09612	4.3
161.13286	6.6
163.11168	4.0
163.14845	2.5
165.12737	3.0
167.08479	3.5
169.10097	6.9
171.08009	2.7
171.11679	6.7
173.09644	4.0
173.13281	8.2
175.11183	3.9
175.14825	2.6
177.12740	7.2
179.08624	1.8
181.10147	4.1
183.08105	1.7
183.11673	4.4
184.07355	13.6
185.09647	4.4
185.13272	7.2
187.11127	2.2
187.14848	4.4
193.12471	2.7
195.11804	2.7
195.13797	8.4
197.13176	3.1
199.11142	1.8
199.14848	2.2
203.14320	2.2
209.13374	2.0
213.12778	3.3
213.14789	2.8
215.14380	2.9
223.14890	2.4
225.12721	2.5
227.14392	2.1
249.14903	3.2
259.20551	2.6
261.22147	2.8
267.15906	2.7
269.17422	15.1
273.14917	2.2
273.18808	1.5
273.22070	2.3
275.20197	3.1
277.21555	4.0
283.20520	1.8
301.21616	5.5
303.23428	1.9
319.22699	2.0
327.23264	3.3
335.25748	3.8
339.17999	4.6
341.24728	2.7
343.22238	1.9
345.24316	2.4
351.23120	6.7
369.24240	11.3
371.26089	1.9
375.25223	2.4
387.25272	6.0
395.20462	4.4
443.27951	5.0
461.29135	9.4
529.39172	2.6
597.98169	2.1
605.32874	1.7
637.40686	9.8
655.42010	11.4
673.43195	49.6
674.43909	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	673.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37158	1.6
53.03947	11.6
55.01865	6.1
55.05270	2.4
55.05516	29.9
57.03427	7.4
57.07072	4.0
63.23899	1.6
65.03933	5.4
67.05511	78.3
69.03091	2.5
69.03437	37.1
69.07079	25.9
71.04997	8.8
71.08625	2.3
71.49351	3.5
74.09701	5.3
77.03990	2.1
79.05502	64.5
81.03426	28.7
81.07063	100.0
83.05001	11.0
83.08620	17.2
85.02909	5.5
85.06543	6.3
87.04506	2.2
89.06041	13.9
91.04926	2.2
91.05492	63.2
93.07053	72.6
94.07366	1.9
95.04968	16.8
95.08617	49.7
97.02876	6.1
97.06523	10.3
97.10153	5.5
98.98473	3.4
99.04457	2.7
99.08114	2.2
105.04512	4.6
105.06405	3.3
105.07043	45.0
107.04951	9.1
107.08598	37.5
109.02869	5.2
109.06512	9.8
109.10163	19.2
111.04451	6.6
111.08076	6.3
113.06042	2.6
115.05473	3.9
117.07033	22.9
119.08598	29.3
121.06497	7.2
121.10147	28.4
123.08085	6.8
123.11726	7.6
127.03926	2.6
128.06245	3.4
129.07021	12.8
131.08574	34.2
133.06508	5.1
133.08568	8.5
133.10152	23.3
135.08051	6.5
135.11710	20.5
137.09599	4.9
139.11192	2.1
141.06987	3.6
142.07765	2.8
143.08578	12.3
145.06526	5.1
145.10135	18.0
147.08052	7.7
147.11719	15.0
149.09576	4.6
149.13248	12.9
151.11220	3.8
155.08540	6.1
157.10159	10.0
159.08047	3.1
159.11719	18.7
161.09596	5.0
161.13251	6.3
163.11212	5.9
165.12764	4.5
167.08635	3.4
168.56450	1.9
169.10147	7.2
171.08087	3.2
171.11679	10.1
173.09668	4.2
173.13272	8.5
175.11133	5.6
177.11263	2.6
177.12767	4.0
178.11653	2.6
181.10091	2.6
183.11725	2.6
184.07361	2.1
185.13277	4.6
187.11215	3.1
187.14873	2.7
189.12799	2.5
191.10670	3.8
193.12218	2.9
195.11916	3.4
195.13828	19.5
197.13228	5.1
199.14833	3.0
203.14371	4.0
207.13628	1.9
209.13382	2.4
213.12833	2.2
223.89279	2.1
233.15239	2.8
239.14346	2.2
259.20612	4.4
261.21979	2.9
269.15213	2.1
269.17538	19.3
271.16937	2.2
273.21951	2.1
277.21692	5.1
287.23969	2.2
301.21582	12.2
311.25748	1.8
315.23074	2.7
319.22656	5.5
323.23669	2.0
327.23071	3.7
335.25861	2.6
341.24857	2.9
351.23065	9.3
369.24298	16.0
387.25305	5.5
390.84509	2.2
393.26648	2.1
405.26340	3.3
425.26605	2.7
443.27942	4.2
461.28964	7.8
462.54044	2.0
529.39056	3.6
587.39575	2.5
637.40918	6.3
655.41998	11.8
673.43182	49.1
681.29907	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.01877	6.5
55.05518	31.2
57.03440	9.8
57.07095	3.7
58.49380	2.6
60.90776	2.2
65.03943	3.8
66.46559	2.5
67.05511	92.1
69.03431	42.2
69.07059	23.7
69.30002	20.8
71.05000	7.9
75.31719	2.5
79.05498	79.2
81.03430	31.6
81.07058	100.0
83.04996	14.4
83.08625	13.6
85.02900	6.8
85.06531	5.9
91.05486	62.6
91.42305	2.2
93.07053	77.6
95.04972	15.6
95.08619	53.5
95.09220	1.6
97.02898	6.9
97.06551	6.9
97.10184	4.1
99.08109	4.3
102.77729	2.6
103.05420	2.5
105.04518	4.2
105.07040	52.6
107.04955	6.0
107.08598	44.7
109.02882	7.8
109.06535	8.6
109.10160	20.0
111.04456	7.0
111.08106	6.5
115.05474	5.2
117.07016	31.5
119.08593	29.1
121.06488	9.4
121.10142	31.2
123.04532	3.3
123.08114	3.6
123.11713	6.1
127.03896	3.9
128.06194	4.3
129.07018	10.5
131.08580	30.0
133.06505	8.2
133.10141	26.3
135.08075	6.8
135.11696	23.1
137.09648	6.2
141.06941	5.5
143.08560	14.4
145.06526	5.7
145.10136	17.9
147.08087	4.3
147.11714	15.1
149.05943	2.8
149.09666	7.1
149.13280	18.1
155.01053	3.1
155.08591	5.5
156.09253	2.9
157.10147	11.2
159.08029	4.6
159.11679	19.5
161.09604	4.1
161.13220	4.5
163.07533	3.8
163.11186	4.6
167.08626	2.8
169.10120	6.5
171.08026	2.9
171.11751	7.9
173.13261	6.9
175.11208	4.6
175.14867	5.7
177.12766	7.6
183.11801	4.3
185.09726	2.7
185.13225	5.5
187.14833	3.7
191.10674	3.0
195.11984	3.0
195.13786	14.6
197.13210	5.6
199.14912	4.1
209.13359	3.1
211.14813	2.5
213.14705	3.7
215.14365	4.4
223.14664	2.9
225.12921	2.9
259.20782	2.9
261.22125	3.4
269.17490	20.3
277.21588	4.7
301.21631	11.4
319.22620	4.3
323.23761	3.0
339.17944	5.8
339.75800	2.7
351.23267	8.6
369.24268	15.3
387.25455	6.2
395.20590	4.9
405.26038	4.1
443.27881	6.1
461.28870	7.6
533.60553	2.8
637.40601	7.2
655.41962	9.1
673.43085	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27481	1.3
53.03949	11.1
55.01867	4.9
55.05270	2.1
55.05515	26.8
57.03439	8.4
57.07074	3.4
61.55641	1.3
65.03932	5.5
67.05506	80.5
69.03430	36.8
69.07075	27.3
69.80363	5.3
71.01355	1.3
71.04996	7.1
73.02911	2.1
79.05026	2.2
79.05497	61.3
81.03419	29.2
81.07059	100.0
83.04984	12.7
83.08628	17.0
85.02914	4.6
85.06545	3.4
87.04484	2.4
90.76625	1.2
91.04908	2.1
91.05487	52.7
93.07048	66.6
95.04978	17.7
95.08612	41.1
97.02902	5.7
97.06534	8.4
97.10162	3.5
98.98415	1.3
99.04455	3.8
99.08111	2.5
103.03955	1.9
103.05500	2.9
105.04534	3.1
105.07032	37.4
105.07698	2.6
107.04964	6.2
107.08601	38.2
107.09312	2.4
109.02887	5.1
109.06507	8.1
109.10163	15.2
111.04458	5.4
111.08109	5.9
113.06059	1.6
115.04072	1.5
115.05470	2.6
116.06196	1.3
117.07024	20.2
119.08584	26.0
121.06481	6.4
121.10152	21.4
123.04451	2.4
123.08071	4.3
123.11704	6.5
125.09634	1.8
127.03957	3.5
128.06233	2.9
129.05492	1.7
129.07021	13.8
130.07733	1.8
131.08578	29.3
133.06538	5.1
133.10144	22.8
135.08043	7.3
135.11703	14.6
137.06006	2.3
137.09641	4.3
137.13245	1.5
139.11197	2.4
139.96980	1.5
141.07034	4.6
142.07806	2.4
143.08557	9.9
144.09329	1.8
145.06514	2.8
145.10143	15.7
147.08076	5.2
147.11691	15.5
149.05956	2.1
149.09653	4.1
149.13263	15.6
151.07523	1.8
151.11191	2.6
155.08548	6.3
157.06532	2.6
157.10115	9.3
159.08057	3.3
159.11713	17.6
161.09628	2.3
161.13268	7.4
163.07610	1.9
163.11214	4.2
163.14870	2.7
165.12776	3.7
167.08618	2.6
169.06555	1.7
169.10168	6.1
171.08083	4.0
171.11636	8.1
173.09668	4.8
173.13300	5.8
175.11182	3.7
175.14851	2.3
177.12776	6.3
179.08629	1.6
179.10701	2.4
181.10155	2.8
183.08035	1.5
183.11743	6.1
184.74652	1.4
185.09660	2.2
185.13313	5.5
186.43883	1.4
187.11272	3.0
187.14909	3.5
189.12842	2.0
191.10780	1.7
193.12247	2.2
195.11867	2.7
195.13828	11.3
197.09525	1.7
197.13245	3.3
199.11250	1.9
199.14890	3.7
201.12833	2.0
201.24648	1.4
203.10822	1.8
203.14430	1.8
205.12337	1.8
209.13332	3.6
213.12943	1.9
213.14792	3.0
217.15927	2.4
221.15298	1.3
225.12773	1.4
229.15979	1.5
233.15359	1.9
247.16895	1.6
251.16438	2.0
259.20636	2.5
261.14954	1.9
261.22278	2.5
267.15900	2.6
269.17453	15.5
271.20425	2.0
273.18912	1.5
273.22064	2.2
277.21652	4.5
285.17130	1.5
287.20151	1.3
291.23303	1.9
297.22055	1.7
301.21631	9.3
302.43478	1.3
303.23276	2.8
303.39169	1.5
315.23230	2.9
319.22751	3.8
321.17227	2.0
327.23343	3.8
335.26089	3.5
339.18152	3.1
341.21094	1.5
341.24927	2.3
345.24313	1.9
351.23099	7.0
353.24936	1.7
357.24496	1.8
369.24271	12.6
375.25476	1.6
387.25345	7.0
393.26941	1.7
395.20844	4.1
405.26364	2.0
421.37936	1.6
443.27881	5.3
461.29147	9.0
529.39056	2.2
587.39069	2.2
599.39197	2.1
613.40918	2.3
637.41028	8.6
655.41870	8.4
673.43103	44.9
674.43414	2.8
688.88470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.48148	1.2
55.01867	4.3
55.05516	7.1
62.41023	1.4
65.03940	1.5
67.05509	15.8
69.03432	2.4
69.07070	6.8
71.01350	1.2
71.04984	1.8
71.49307	2.3
75.53084	1.3
79.05501	18.6
81.03427	5.6
81.07063	16.7
83.04978	2.2
83.08630	2.8
85.02907	1.6
89.27166	1.2
91.05492	12.9
92.05814	1.2
93.07054	13.1
95.04961	7.6
95.08614	7.4
97.06517	3.8
97.10175	1.2
99.08060	1.4
105.07034	10.6
107.04990	4.5
107.08606	7.3
109.06550	6.2
109.10165	4.8
111.08080	1.9
113.06043	2.7
117.07042	4.8
119.08585	6.4
121.10167	4.1
123.04352	1.3
129.07054	3.7
131.08554	7.0
133.06538	1.8
133.10143	6.7
135.08078	4.6
135.11717	1.8
143.08559	2.1
145.10158	4.1
146.10692	1.2
147.08092	1.5
147.11655	2.5
149.09592	2.2
151.08913	1.4
157.10138	2.6
159.07904	3.6
159.11714	2.9
161.09630	1.4
163.11206	2.3
169.10205	1.6
171.11728	2.2
173.13300	1.4
175.07370	1.4
175.11270	1.5
183.11688	1.7
189.11180	1.6
195.09993	5.5
205.53902	1.4
217.08492	3.5
217.15932	1.5
219.09998	2.8
273.18546	4.0
275.20163	4.9
289.17871	1.9
291.16721	1.8
291.19522	9.8
293.21155	2.0
301.17758	6.2
302.18719	1.9
303.19397	2.0
331.18796	12.2
343.86145	1.4
347.18497	6.9
349.19867	11.6
349.23419	2.0
365.23315	2.3
390.20193	2.7
403.20676	1.5
429.22537	4.5
431.24368	1.7
473.28833	1.4
475.30429	2.5
513.28265	54.3
515.29456	1.9
575.35846	1.7
636.70288	1.6
637.39148	2.3
655.39990	7.6
673.39240	100.0
674.39246	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	673.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01862	6.7
55.05516	14.4
57.03439	19.2
57.07080	1.9
59.04998	2.8
65.03921	2.6
67.05507	64.6
69.03091	2.0
69.03432	24.3
69.07055	5.8
70.04350	2.2
70.04745	3.6
70.83231	1.4
71.01347	3.5
71.04991	9.6
73.02919	23.1
73.63470	1.2
79.05495	23.1
81.03421	59.2
81.07054	24.4
83.04983	17.3
83.08620	20.3
85.02910	35.3
85.06532	2.9
89.79441	1.5
91.05482	19.9
93.07047	14.9
95.04981	23.7
95.08604	7.5
97.02889	15.9
97.06523	4.6
97.10139	3.6
98.21649	1.5
99.04429	4.5
99.08108	1.9
103.03922	1.9
105.07032	13.4
107.04957	17.4
107.08591	7.3
109.02887	6.2
109.06490	2.1
109.10162	54.7
111.04448	9.8
111.08080	8.5
113.06001	2.0
115.03895	1.6
115.15436	1.4
117.06998	2.8
119.08592	11.2
121.10139	4.5
123.04406	2.4
123.08057	1.9
125.05949	1.7
125.09630	2.4
127.03931	7.8
129.05470	6.1
129.06982	6.6
131.03406	3.9
131.08565	7.0
133.06505	1.5
133.10115	4.9
135.04428	10.0
137.09602	3.2
141.78824	1.6
144.54572	1.7
145.04950	1.9
145.10106	2.5
147.08066	3.0
147.11690	10.3
149.09590	4.9
153.05466	4.6
155.10692	8.1
157.08687	3.0
157.10107	9.9
163.03896	3.9
163.11172	2.0
165.12747	2.3
173.11720	11.7
175.11192	11.5
181.04985	3.4
193.12262	31.3
199.06062	3.1
199.13193	1.5
209.11761	1.9
211.13307	39.6
217.07063	6.4
227.12904	3.4
229.14365	51.7
242.99109	1.5
246.10553	1.6
249.14908	2.0
267.15866	11.4
267.18073	1.3
278.02966	1.5
285.17004	23.0
297.45624	1.5
301.16486	2.7
315.44995	1.4
421.25934	13.1
439.26923	100.0
440.27026	3.2
493.28036	1.9
538.48456	1.5
673.33582	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	673.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
54.62019	0.8
55.01865	1.2
55.05499	2.9
67.05518	6.2
69.03444	1.5
69.07053	1.2
70.82708	1.8
71.04992	1.6
79.05494	3.3
81.03429	5.2
81.07074	4.4
83.04991	1.2
83.08618	1.5
91.05480	4.2
93.07043	5.6
94.06573	2.5
95.04964	2.2
95.07327	2.1
95.08601	2.0
96.08142	4.1
97.06518	1.0
105.07043	2.3
106.86082	1.0
107.04964	1.0
107.06059	0.8
107.08606	1.6
108.08108	3.8
109.10154	2.1
110.09688	9.1
110.10398	1.3
111.04505	1.0
117.06951	0.9
119.08566	1.7
120.08139	6.1
121.06514	1.1
121.10170	1.1
122.06023	2.7
124.99889	0.9
129.06978	1.3
133.10146	1.0
134.06070	1.4
135.11705	1.0
136.07584	5.3
138.09155	10.8
148.07585	2.3
163.03867	1.4
166.08646	13.4
174.38162	0.9
184.07367	1.0
193.12369	1.9
209.10838	2.1
211.13226	1.2
235.08560	3.3
236.09402	4.0
237.10255	14.2
247.08626	1.0
249.10251	13.7
250.11011	3.6
251.08052	1.0
251.11905	4.0
252.08728	0.9
253.09737	1.4
255.11482	1.1
261.10248	2.1
263.08151	3.1
264.08960	9.3
265.09763	6.0
266.10587	1.3
267.11331	3.5
269.09366	0.9
277.09790	10.0
278.10480	4.4
279.08212	1.3
279.11282	8.8
280.12021	0.9
281.09216	3.0
283.15405	1.3
291.07727	2.4
291.11218	1.0
292.08432	1.6
292.11765	1.1
293.09250	39.7
293.12720	3.4
294.09930	1.2
295.11008	4.6
295.13855	1.0
297.12384	0.8
305.09177	6.0
307.10794	9.3
308.07938	0.8
309.08755	2.0
309.12219	3.1
311.10092	2.1
313.11810	2.2
323.10220	5.8
324.11121	1.3
325.11911	3.7
326.12656	2.1
327.03891	1.0
327.13354	1.0
333.08853	5.1
337.11862	3.1
339.13535	5.5
351.09808	21.0
353.11316	1.7
355.13177	2.7
356.13873	1.4
365.11292	3.1
366.11990	3.0
367.13715	1.0
369.14542	1.3
371.12381	2.9
382.11578	1.5
383.12247	4.6
384.17188	2.0
385.13895	3.3
397.13907	5.1
398.14679	2.7
413.14026	1.0
418.17673	2.0
428.16068	1.7
429.19336	1.1
438.14346	2.0
446.17041	10.7
456.15430	7.3
458.17355	1.1
459.27408	2.1
476.18195	3.6
477.28470	1.4
478.19760	10.1
488.18298	1.2
490.19971	1.1
493.28528	1.3
494.28366	1.9
518.19116	1.8
519.19781	2.5
520.21387	1.4
536.20129	3.9
550.21948	45.2
551.22675	100.0
552.22760	3.5
609.23328	3.0
623.24268	1.7
641.26093	9.9
673.33209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.7
55.05512	5.0
57.03431	4.0
57.07077	34.7
61.02929	12.4
63.17282	0.6
67.05506	12.3
69.03434	1.2
69.07068	6.9
71.04962	0.7
71.08633	28.7
72.57275	0.5
73.02914	4.4
75.04485	1.9
75.93649	0.8
79.05494	1.7
81.07063	13.8
83.08617	10.2
85.02909	14.4
85.06544	0.9
85.10186	14.7
87.04442	0.6
89.06041	1.3
91.03956	11.4
91.05489	1.1
93.07043	1.6
95.08614	21.0
97.02898	7.6
97.10174	4.3
98.21160	4.5
99.04491	0.7
99.11747	0.8
103.07577	0.9
105.07041	1.1
109.02856	0.7
109.10164	10.0
111.11728	1.1
121.10212	0.7
123.11720	4.8
125.13276	1.0
127.03918	4.1
131.08545	0.6
137.13251	2.3
145.04984	5.7
147.04434	1.2
151.14819	1.1
163.05998	8.9
165.16429	0.6
184.07414	0.6
221.22652	0.8
239.23711	23.4
240.23917	0.8
257.24710	3.9
259.45270	0.6
313.27374	100.0
314.27753	2.2
331.28445	26.8
404.66974	0.6
475.32648	2.0
672.39685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29320	1.0
54.99994	0.9
55.77708	1.0
60.51263	1.0
81.03432	1.2
82.99879	2.6
89.03912	4.8
94.99841	2.2
96.35216	1.0
97.01405	1.1
97.02898	1.4
98.97559	2.0
101.00882	15.7
103.02444	2.2
107.04925	1.2
108.69210	1.2
113.00880	6.3
115.02436	4.8
117.03351	3.7
119.01157	1.7
119.01929	18.1
127.02396	5.2
129.03979	5.6
131.01918	14.5
133.03490	9.1
135.04401	9.6
137.02930	1.2
139.02408	1.2
139.50757	0.9
141.03998	1.9
143.00168	1.5
143.01888	22.1
145.03629	16.4
145.07065	1.9
147.05034	13.7
148.41928	1.0
153.03947	4.7
155.01892	20.5
155.05510	3.1
156.02650	4.8
157.03461	19.6
157.04633	1.9
159.05011	3.5
161.02969	22.1
163.03893	52.8
163.08179	3.0
164.04221	2.9
165.06082	1.4
167.01904	1.4
167.05568	3.0
169.03459	15.2
171.05035	39.3
173.02975	17.6
173.06607	12.2
175.04535	14.2
175.08063	2.1
179.01877	1.4
181.03465	3.1
183.05032	29.0
185.02963	9.5
185.06589	12.5
187.04536	10.2
187.08179	2.1
189.06084	17.5
191.01927	1.5
191.04007	1.7
191.07625	1.4
193.03514	1.7
195.04996	4.1
197.02951	7.1
197.06548	5.1
198.03708	1.6
198.06046	1.3
199.04529	13.0
199.08182	4.1
201.06082	18.7
203.02190	1.6
203.03996	25.3
207.04999	5.1
209.03024	1.9
210.03723	2.0
211.04553	2.7
213.06075	18.0
215.03986	1.9
215.07651	3.1
217.05605	5.5
217.09149	5.6
221.02954	24.8
221.05095	51.2
222.05188	1.9
223.04559	1.6
223.08234	1.4
225.06044	10.6
227.04106	1.7
229.05577	13.6
229.09132	6.5
231.07228	5.4
231.10793	1.5
237.06297	1.3
239.04036	3.3
239.07878	1.4
241.05667	3.7
243.07211	1.4
244.06738	1.3
245.02625	2.8
245.05083	43.2
246.05113	1.4
247.04488	3.7
247.06660	30.9
253.09137	1.8
255.07191	8.1
257.05081	13.6
258.05710	2.3
259.04239	1.6
259.06693	19.3
263.03830	2.7
263.06207	8.8
265.05597	1.4
271.04532	4.3
273.08200	91.6
274.08286	2.0
275.03720	1.5
275.06161	10.2
281.05017	2.9
289.05582	2.6
291.09311	35.1
293.04459	1.5
293.07333	2.8
299.03900	2.7
301.07947	4.5
307.06537	1.4
315.07144	1.9
319.08740	68.9
319.12384	23.3
337.09796	100.0
338.09982	2.4
347.06247	5.0
349.07672	2.1
355.08624	2.5
359.06146	1.4
360.11563	2.9
361.07758	1.5
365.07053	5.0
368.84274	1.1
374.07568	2.3
377.07123	8.8
383.08157	1.9
391.10675	1.6
395.08203	4.3
407.88788	1.4
435.11069	1.5
437.09207	6.6
453.12216	4.4
465.13416	1.9
467.10361	9.8
481.11908	33.7
485.11423	2.0
493.12079	2.6
507.13376	2.6
511.15030	18.6
535.12933	8.0
539.12354	4.2
553.13824	4.7
627.17676	3.0
649.27478	1.2
655.16565	1.6
673.18188	26.7
674.18787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
53.82972	0.7
55.01873	1.3
55.05513	8.9
57.03440	5.1
57.07066	1.0
59.04950	0.7
65.03934	1.2
67.05508	27.9
69.03421	1.1
69.07066	7.2
71.05000	2.3
71.49448	0.9
79.05497	28.7
81.03411	3.5
81.07056	30.8
83.04974	5.2
83.08626	5.5
85.02889	1.9
85.06523	1.9
85.13667	0.7
91.05486	21.8
93.07046	36.0
93.07641	1.8
95.04968	5.8
95.08614	11.2
97.06562	4.8
97.10159	1.5
105.04526	1.2
105.07026	13.6
107.04977	1.6
107.08596	13.3
109.06531	2.5
109.10131	3.3
111.08072	2.1
117.01392	0.8
117.06985	5.0
119.08588	7.4
121.06494	1.5
121.10136	6.4
123.08057	2.5
129.07002	5.5
131.08571	4.5
133.10155	5.3
135.11684	2.9
143.08549	3.1
145.10115	2.0
147.11679	12.8
149.13284	8.4
157.10124	1.0
159.11694	4.0
161.09616	1.6
161.13275	3.0
163.11237	0.9
171.11687	6.6
177.12741	2.0
189.12753	3.0
195.13841	2.5
207.13818	10.5
260.23965	0.9
267.15924	1.1
269.17480	24.2
281.17487	25.3
410.54861	1.0
454.33267	0.9
456.23978	0.8
475.30600	100.0
476.30661	2.9
498.19495	1.0
679.17175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70806	0.8
57.03439	4.4
69.03436	15.2
69.58366	5.8
79.05477	1.0
85.02917	10.8
87.04471	7.0
91.05497	7.0
95.04971	2.4
97.02905	11.4
98.21439	1.6
99.04475	0.9
103.05504	2.5
105.07053	1.8
107.04945	1.7
108.21522	0.8
109.02835	1.5
115.03947	8.9
117.07052	0.8
119.04957	6.0
121.06490	2.2
122.03673	1.9
127.03928	1.4
128.06213	1.3
129.07005	5.7
131.04956	5.5
131.08510	1.1
133.04979	7.2
135.08078	2.2
137.05989	34.2
138.06302	1.0
143.04930	1.2
145.06499	1.8
149.06001	5.6
150.07632	1.4
151.03908	2.3
151.07564	41.8
157.06485	5.2
161.06021	8.2
161.09541	1.1
163.07552	18.9
165.06978	1.4
165.09135	1.9
167.08572	3.3
174.06754	2.1
175.07518	4.9
177.09117	22.5
181.06406	1.2
183.07925	1.0
189.09123	13.5
193.06526	1.2
193.10199	1.7
195.08138	7.8
195.09973	1.7
201.09074	1.0
206.07535	1.0
207.10176	1.9
209.09711	1.7
211.07634	1.0
212.08432	1.4
219.10254	1.5
221.06038	2.8
221.09595	2.9
221.11752	3.8
223.07564	3.9
224.08241	1.5
225.09016	1.9
227.10681	12.1
233.09705	1.3
235.07359	1.0
237.09056	1.0
240.07724	1.6
249.09077	2.7
249.11353	1.8
253.08617	4.3
253.12230	4.9
255.10162	12.8
265.08621	2.1
267.10150	2.3
279.10257	1.2
281.11719	2.6
284.10254	1.1
285.11221	9.1
287.12836	20.4
293.11737	1.2
297.11230	2.0
299.12671	2.0
303.05081	1.0
309.11102	1.3
311.12650	4.8
313.14395	16.3
325.14618	1.0
331.15433	100.0
332.15775	2.1
341.13919	2.0
343.11597	1.2
343.15524	12.3
349.14783	1.1
355.15018	1.1
379.15225	1.3
409.16370	1.3
445.18591	1.3
463.19498	2.1
555.69104	0.9
603.65009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.5
55.01878	11.0
55.05513	42.3
57.03446	15.7
57.07069	5.4
57.53791	2.1
61.16265	2.0
65.03938	9.6
67.05510	100.0
69.03430	15.7
69.07071	31.1
69.48065	12.8
71.04997	6.9
77.03938	3.1
79.05500	81.9
81.02939	2.9
81.03424	91.3
81.07060	99.0
82.07397	2.7
83.04990	16.0
83.08625	23.0
85.02898	11.2
85.06545	4.3
91.05491	85.5
91.86490	2.1
93.06488	4.0
93.07054	63.1
95.04978	41.8
95.08069	4.1
95.08616	54.7
97.02890	15.2
97.06517	9.2
97.10160	11.8
99.04440	2.9
103.05444	6.0
105.04514	4.8
105.07043	61.2
107.04961	19.4
107.08609	39.5
109.02861	19.7
109.06512	10.0
109.10166	24.8
111.04466	10.6
111.08095	6.7
115.05437	6.5
117.07018	29.5
119.08588	42.0
121.06503	9.3
121.10161	28.5
123.04453	6.0
123.08040	6.1
123.11709	6.2
125.02383	6.1
125.09647	6.9
127.03925	5.6
128.06226	5.4
129.07008	25.1
131.04921	5.4
131.08569	37.1
133.06491	11.0
133.10159	27.0
135.04411	2.5
135.08052	6.5
135.11729	14.2
137.05965	3.7
137.09650	4.8
137.13289	2.5
141.06993	9.0
142.07799	5.1
143.08583	17.0
145.06445	11.2
145.10121	25.2
147.04419	5.5
147.08064	10.8
147.11682	27.0
149.05994	5.1
149.09625	8.5
149.13292	6.9
151.07611	2.6
151.11156	3.2
153.06920	2.8
155.08531	10.9
157.06546	7.8
157.10107	19.1
159.08060	9.2
159.11742	15.1
161.05988	4.4
161.09677	5.7
161.13268	7.3
163.11201	5.2
163.14792	4.2
165.06903	2.9
165.12744	6.2
167.08575	8.4
169.10136	11.2
171.08067	7.5
171.11617	10.4
173.09644	4.9
173.13287	7.9
175.07529	2.2
175.11183	9.9
175.14835	2.2
177.12775	2.3
179.08519	3.9
181.10159	6.9
183.11732	9.6
185.06082	2.8
185.09644	7.2
185.13303	6.1
187.11168	2.8
187.14801	5.4
189.05525	3.3
189.11241	3.4
191.10657	3.2
193.10532	3.0
193.12254	19.0
195.11731	8.6
197.09680	4.6
197.13251	6.5
199.11186	5.0
199.14807	3.8
201.12848	3.4
205.12215	3.7
207.08083	2.4
207.11737	3.6
209.13245	6.0
211.13281	13.0
211.14984	2.8
213.12798	3.7
215.14264	4.0
217.12178	2.8
221.13332	3.0
223.14711	2.8
225.12793	2.9
227.12744	2.7
229.12247	2.8
237.16557	2.5
245.15433	2.9
259.20615	4.3
261.22253	4.5
267.15967	27.2
271.20541	3.1
271.85272	2.3
273.14883	8.5
285.17075	4.0
289.14496	2.5
301.14359	8.1
309.22275	2.6
319.15341	9.2
323.23874	3.6
333.21347	2.6
335.25827	27.5
339.23181	2.8
341.24872	3.0
349.21738	2.9
351.23087	6.0
367.22638	3.2
367.35629	2.3
369.24243	14.1
371.25745	2.5
375.18106	3.3
387.25519	4.6
393.19168	5.8
410.22989	2.5
443.27719	6.0
527.37433	12.3
530.39246	38.2
545.31067	3.0
545.38452	11.6
553.50867	2.3
561.35358	3.5
579.37061	3.5
623.39221	4.4
635.39221	9.0
641.40594	3.7
653.40247	28.1
671.41687	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	671.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32882	2.2
50.90071	2.1
51.02372	3.0
53.03949	13.8
55.01866	10.2
55.05513	44.3
55.59305	2.2
57.03444	15.7
57.07060	5.7
59.63773	2.6
65.03934	6.9
67.05508	83.9
69.03436	24.1
69.07070	35.3
71.01349	2.8
71.04986	10.5
71.48914	2.9
71.49297	3.4
77.03943	2.9
79.05497	82.5
81.03423	56.5
81.06602	5.8
81.07062	100.0
83.04984	19.1
83.08626	21.7
85.02895	10.8
85.06543	4.0
91.05486	78.0
93.06492	4.8
93.07049	71.7
95.04975	37.0
95.08610	54.8
96.49326	2.4
97.02874	14.7
97.06552	15.3
97.10149	10.4
99.04450	4.8
103.05445	3.6
105.03369	2.9
105.04526	4.0
105.06318	3.7
105.07030	62.8
107.04945	22.2
107.08597	41.6
109.02906	11.6
109.06529	12.1
109.10144	19.6
111.04435	11.1
111.08095	4.9
115.05457	9.7
117.07021	30.9
119.04945	4.1
119.08591	40.7
119.09402	4.6
121.02890	2.9
121.06532	13.2
121.10155	30.2
123.04419	4.1
123.08044	8.1
123.11696	9.8
125.02348	2.7
125.05977	2.3
125.09611	4.7
127.03920	6.2
128.06236	9.9
129.06340	2.3
129.07019	25.1
130.07834	5.1
131.04921	6.3
131.08568	39.9
133.06508	9.9
133.10150	30.5
135.08026	7.5
135.11688	15.0
137.06023	3.0
137.09587	2.9
137.13370	2.6
141.07018	12.2
142.07773	5.4
143.08562	18.4
145.06506	9.6
145.10126	26.8
146.10643	2.6
147.08012	8.9
147.11694	24.0
149.05988	3.1
149.09618	8.8
149.13248	8.0
151.11230	3.8
155.08569	12.8
157.06471	6.7
157.10173	18.8
159.08005	7.1
159.11711	16.4
161.05940	2.7
161.09615	7.6
161.13295	7.2
163.07498	2.6
163.11177	8.1
165.06921	2.7
165.12773	6.1
167.08545	7.2
169.10136	10.5
171.07942	4.1
171.11674	17.0
173.06032	3.0
173.09654	5.3
173.13257	11.4
175.11128	8.6
177.12790	3.5
179.08546	5.0
181.10141	7.4
183.08092	5.3
183.11690	12.3
183.13126	2.5
185.09612	5.4
185.13235	5.3
187.07590	2.5
187.11234	5.2
187.14890	4.0
189.11284	3.3
189.12831	2.7
191.10681	4.0
193.10513	3.4
193.12228	17.8
195.08260	3.5
195.11688	9.1
195.13802	4.0
197.09525	3.2
197.13196	7.5
199.11261	4.9
201.12686	3.7
203.14243	2.6
207.11613	3.9
209.13275	7.4
211.11365	3.1
211.13287	7.9
211.14969	3.4
213.12790	4.1
221.13254	4.3
223.11118	3.6
223.14821	3.5
225.12646	3.3
231.13921	2.7
233.13145	2.8
235.14951	2.7
237.12717	2.9
239.14325	4.2
241.19720	2.6
257.18954	3.7
259.20624	4.7
267.15967	15.4
269.17435	7.4
273.14740	5.5
273.18460	4.2
283.20331	3.6
285.16931	3.8
289.17694	4.2
291.19589	6.6
301.14392	4.7
313.21701	4.8
319.15344	5.3
321.22128	3.8
335.25818	19.4
339.23297	3.4
341.24640	3.0
351.23135	8.6
367.22507	7.0
369.24310	12.8
385.23846	5.1
387.25189	4.1
393.19202	3.9
443.27881	2.8
525.33960	2.7
527.36957	8.1
530.39264	13.4
545.38190	6.2
579.36536	3.3
623.39618	5.6
625.37665	3.8
635.39819	19.7
653.40302	30.0
671.31134	5.6
671.41595	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08165	3.4
53.03172	6.4
53.03934	12.3
55.01863	11.5
55.05515	48.7
57.03437	16.8
65.03944	3.9
67.05511	57.1
69.03426	22.3
69.07071	18.9
71.04990	10.7
71.16759	3.9
71.17093	6.1
73.02891	4.4
79.05500	58.4
81.03424	100.0
81.07063	53.6
83.04978	32.4
83.08604	32.2
85.02884	15.6
91.05488	50.4
93.07047	45.6
95.04975	36.5
95.08642	20.1
97.02880	22.5
97.06533	9.6
97.10180	33.2
99.04478	3.9
101.66110	3.4
105.07035	32.6
107.04951	21.3
107.08594	27.5
109.02896	9.5
109.06532	17.0
109.10158	16.1
111.04446	9.1
111.08064	8.3
115.05454	5.2
117.07027	17.3
119.08569	21.5
121.06524	18.6
121.10171	20.5
123.08051	10.4
125.09620	22.3
127.03911	5.4
129.05487	8.0
129.07036	17.8
131.04968	4.7
131.08582	20.4
133.06468	7.0
133.10106	14.7
135.08061	14.2
135.11700	4.6
137.09656	4.7
143.08562	8.3
145.06483	7.7
145.10144	11.8
147.08073	8.2
147.11691	15.1
149.05937	3.9
149.09575	11.6
151.50008	3.2
153.09171	5.4
155.08611	3.9
157.06485	5.4
157.10109	12.8
159.11575	3.2
161.06001	4.1
161.09642	3.8
163.11151	10.5
171.08014	4.0
171.11560	3.7
173.04466	9.2
175.07559	3.3
175.11183	11.7
187.11134	3.7
187.14792	3.5
189.11203	16.0
193.12251	30.0
209.11777	6.9
211.13272	23.0
215.14229	4.7
219.13818	4.7
227.12793	25.9
229.14301	3.6
233.15375	14.1
249.14761	5.2
267.15942	29.1
273.14597	6.9
285.17050	7.4
293.17429	5.1
339.23096	6.1
349.21628	9.8
357.24255	5.7
367.22678	20.5
385.23660	33.6
403.24722	14.1
437.02805	3.3
437.25299	3.8
441.26266	9.6
459.27463	80.6
477.28452	87.8
491.30066	21.6
509.31494	17.4
602.43091	3.7
621.32471	10.1
653.34790	7.0
671.32782	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.5
55.01876	22.8
55.05512	35.6
57.03438	26.9
57.07068	8.0
59.04994	4.7
65.03930	8.1
65.38062	2.5
67.05508	100.0
69.03430	51.9
69.07072	13.6
71.01345	5.2
71.04996	11.2
71.07632	4.7
73.02924	25.0
77.45310	2.1
79.05026	2.2
79.05495	56.1
81.03420	86.2
81.07056	45.7
83.04981	28.2
83.08629	22.4
85.02903	31.7
85.06567	4.7
89.02374	2.2
91.05477	37.6
93.07047	34.9
95.04967	31.1
95.08600	21.2
97.02897	32.9
97.06570	11.0
97.10180	19.3
99.04449	8.4
99.08151	2.7
105.04523	3.5
105.07035	22.3
107.04958	27.4
107.08596	24.7
109.02868	22.3
109.06513	4.9
109.10157	46.1
111.04450	14.1
111.08099	9.0
115.03879	2.5
116.04741	4.3
117.07043	8.0
119.08575	19.8
121.06511	5.5
121.10130	12.9
123.04424	10.8
123.08060	5.7
123.11689	2.5
125.06023	2.8
125.09629	16.4
127.03917	13.8
129.05492	11.8
129.07025	8.8
131.03441	3.5
131.08560	13.1
133.06462	3.8
133.10104	12.0
135.04439	14.1
135.07986	4.0
135.11699	9.4
137.05942	3.5
137.09576	6.0
139.03865	2.2
143.07001	3.1
145.05116	2.7
145.10101	14.1
147.08093	3.5
147.11743	11.2
149.09630	6.7
151.03819	2.6
153.05476	5.8
153.09119	3.6
153.12708	3.7
155.10649	5.7
157.08650	5.2
157.10132	7.7
163.03944	3.0
163.11176	17.9
171.06509	3.2
173.04471	6.6
173.11775	11.3
175.11241	6.8
181.12183	2.4
189.11218	5.1
191.10707	8.0
193.08549	2.4
193.12259	10.7
199.06046	3.8
199.13329	9.5
209.11673	15.8
211.11497	2.5
211.13254	13.2
213.32970	2.2
217.07150	5.3
217.71307	2.3
223.13286	3.2
227.12828	13.6
229.14331	27.1
241.14391	2.3
245.13887	3.8
255.15817	3.4
259.13364	2.5
267.15891	8.8
281.13721	2.4
283.15518	22.1
283.18408	4.0
285.16937	4.2
301.16437	8.8
307.31226	2.3
345.20575	3.1
377.17081	2.7
383.24469	3.2
419.24243	3.1
422.77112	2.4
437.25281	22.9
454.25687	2.3
455.26218	3.1
475.26920	2.9
493.27725	5.7
637.32361	3.5
653.31592	3.6
671.32477	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12738	0.7
55.01862	2.0
55.05511	2.0
57.03423	1.3
65.03918	0.9
67.05518	5.6
69.03423	2.5
69.07055	1.5
71.04997	1.8
71.49644	0.8
73.02899	1.6
78.39881	0.7
78.89098	0.7
79.05502	5.2
81.03423	5.1
81.07054	5.1
83.04984	3.0
85.02889	1.5
91.05510	4.2
93.07053	3.9
95.04960	1.7
95.08601	1.5
97.02908	2.7
97.10153	1.3
105.07034	2.1
107.04970	1.8
107.08582	2.6
108.08131	8.7
109.10154	2.8
111.04456	1.4
117.07018	1.4
119.08604	1.9
121.10114	1.3
123.04433	1.2
127.03930	1.4
129.06982	1.4
131.03430	0.8
131.08536	1.2
133.10143	1.6
135.11716	2.4
136.07597	9.8
145.10121	1.7
147.08046	1.1
147.11652	0.9
152.07111	0.7
163.11220	3.1
174.09157	1.0
190.91840	0.8
191.10632	1.0
209.11459	0.7
211.13350	0.9
227.12775	3.0
229.14369	1.9
235.08693	1.3
236.09398	1.6
237.10237	2.5
248.09525	2.3
249.10207	5.0
251.07942	1.0
261.10226	0.8
263.08264	1.5
263.11948	1.1
263.80640	0.7
264.08920	2.3
265.09723	3.0
266.10507	0.9
276.08945	3.2
277.09793	6.0
278.10449	2.0
279.11285	2.4
283.15442	2.7
291.07590	1.4
291.11081	1.7
292.08292	1.2
293.09253	1.8
293.12631	1.5
294.10043	1.2
305.09183	2.9
307.10776	3.5
309.08615	0.9
310.09714	0.9
315.13678	0.9
319.10855	7.8
325.12216	1.0
326.12933	2.3
328.14417	1.1
335.10291	1.7
338.12955	1.1
339.13449	1.1
341.11545	1.3
342.16132	1.5
347.10379	1.3
350.13202	0.8
351.09833	1.9
353.11566	2.5
354.12372	5.5
355.12991	2.3
356.13721	3.2
364.14554	0.8
365.11340	5.7
366.12253	2.4
367.13168	2.4
368.13864	4.6
369.14963	1.4
370.15491	3.6
372.17426	1.0
380.14148	1.1
381.10651	1.7
382.11752	2.8
382.15646	2.3
383.12393	1.5
384.13232	1.9
386.14917	1.7
394.15759	0.8
395.12616	1.7
396.13446	4.4
397.14368	1.8
398.14935	4.2
399.15759	1.1
400.16470	2.9
408.13492	1.9
410.15036	3.2
412.16812	1.7
424.12509	1.9
426.14438	2.2
428.16074	3.6
429.17218	1.0
430.17719	0.9
437.25351	2.4
440.15964	2.2
442.13535	1.6
444.19424	1.6
456.11127	1.0
456.16321	1.2
458.17029	2.4
470.12708	1.5
484.15125	1.2
486.16745	1.4
488.18295	3.1
498.16531	1.2
516.10547	1.4
516.17767	26.5
517.18445	19.6
518.18927	2.7
548.20343	100.0
549.20886	4.1
563.23151	1.6
579.22571	1.0
589.20953	6.2
607.12860	1.3
607.21881	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	668.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01872	12.5
55.05514	30.8
57.03429	4.2
57.07064	1.6
59.05009	1.3
65.03923	2.8
67.05509	35.7
68.99796	1.5
69.03423	6.5
69.07069	17.1
70.62749	3.2
71.01341	3.5
71.04982	5.2
79.05495	52.1
81.03418	11.0
81.07057	84.8
83.04989	14.5
83.08624	18.1
85.02909	2.6
85.06532	2.8
91.05487	37.0
93.07047	33.7
95.01331	3.1
95.04973	22.5
95.08604	18.5
97.02896	8.2
97.06538	11.3
97.10172	23.6
99.08103	2.4
105.06413	2.1
105.07047	24.5
107.04957	18.5
107.08606	29.0
109.02856	2.1
109.06537	14.6
109.10151	15.0
111.04437	11.2
111.08076	5.0
115.05448	4.6
117.07018	15.3
119.04888	1.7
119.08584	28.6
119.42519	1.6
121.06508	10.2
121.10153	11.8
123.04423	4.0
123.08073	17.2
123.11696	1.6
125.09632	20.7
128.06143	3.1
129.00859	1.6
129.06998	6.3
131.08557	15.9
133.06465	5.1
133.10156	10.5
134.54468	1.6
135.08060	12.3
135.11673	7.9
137.05930	1.6
137.09615	12.0
139.07472	1.4
143.08580	9.3
145.06511	3.1
145.10129	17.1
147.08069	19.6
147.11707	5.7
149.09650	12.7
149.13252	2.3
151.11127	1.5
153.09100	10.1
153.12738	2.5
155.08640	3.1
155.10619	2.0
157.10149	9.0
159.08063	3.7
159.11688	7.4
159.25491	1.4
159.36472	1.6
161.09641	9.9
161.13342	1.6
163.07527	1.9
163.11169	15.8
165.09122	9.8
169.10088	2.8
171.10188	2.1
171.11676	3.9
173.09615	6.1
173.11714	1.5
173.13240	3.0
175.11244	6.8
175.17433	1.4
177.09116	1.9
179.10727	2.5
181.12201	5.2
183.11633	1.6
185.13223	4.1
189.11229	14.9
189.12767	2.7
191.10693	6.9
193.12245	20.0
195.11766	1.6
199.11159	1.8
201.12790	1.9
205.12271	1.7
209.11655	2.6
213.12784	2.0
217.12328	1.6
223.13287	7.3
227.12770	6.4
227.17885	1.9
233.11575	1.4
237.16437	2.2
245.18967	4.2
249.14824	5.0
255.17459	7.4
263.20282	1.5
271.16898	2.6
273.18506	47.6
289.17984	11.2
291.19556	100.0
307.18933	5.2
308.19601	2.6
309.20630	6.0
325.19876	2.0
527.36884	3.1
534.28265	1.6
540.18726	1.8
615.39264	1.9
644.28467	1.6
685.35236	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01874	4.4
55.05518	18.3
57.03445	7.6
57.07081	46.6
65.03951	1.7
67.05512	34.9
69.03438	22.0
69.07076	16.3
70.63758	1.1
71.04998	7.1
71.08239	2.0
71.08636	32.8
79.05500	23.1
81.03423	100.0
81.07060	42.9
83.04985	11.4
83.08627	22.8
85.02912	13.6
85.06549	2.5
85.10187	16.1
91.05493	24.6
93.07050	13.9
95.04973	15.8
95.08616	31.1
97.02898	25.8
97.06534	4.3
97.10198	10.1
99.04470	4.2
99.08102	2.2
104.59594	1.1
105.04503	1.5
105.07043	19.3
107.04967	4.3
107.08601	8.7
108.90354	1.2
109.02896	16.6
109.06562	4.6
109.10168	13.1
111.04457	10.8
111.08085	5.7
115.05466	1.6
117.07080	3.4
119.08583	13.9
121.06503	3.2
121.10149	7.0
123.04449	2.8
123.08089	2.3
123.11709	9.9
125.00060	1.5
127.03915	17.0
127.07611	1.2
128.06168	1.3
129.05534	1.4
129.07021	10.4
131.04898	2.0
131.08578	7.6
133.06514	3.5
133.10132	7.4
135.11757	4.3
137.06004	1.3
137.09550	1.2
137.13280	2.3
141.07011	1.3
142.07861	2.0
143.08598	3.4
145.06532	2.7
145.10184	4.2
147.04433	2.1
147.08081	2.3
147.11705	17.7
149.06004	1.8
149.09645	4.4
150.42670	1.2
151.07513	1.2
153.09125	1.1
153.12822	1.9
154.16605	1.1
155.08560	2.0
157.10139	8.9
159.11794	1.3
161.05949	1.2
163.11212	4.9
165.05682	1.3
165.12759	10.2
165.16525	1.4
167.08710	1.1
170.54404	1.2
171.11674	1.8
173.04498	3.6
175.11197	8.3
181.12289	2.8
183.06601	1.7
183.13957	1.2
184.07428	3.8
187.11174	1.5
191.10745	3.5
193.12256	33.3
209.11699	1.8
209.13443	1.6
211.13307	50.6
211.15300	2.6
217.12224	2.0
227.12553	5.4
229.14415	2.1
229.79886	1.2
235.13278	1.1
239.23717	9.3
249.15128	1.7
255.13895	2.6
267.15930	16.7
273.15039	1.9
283.15543	1.5
285.17117	3.8
301.14423	2.5
303.87732	1.2
313.27377	33.6
319.15518	2.3
337.16556	6.9
355.17569	9.5
383.28189	4.0
393.19153	2.4
411.20227	13.4
505.39139	5.4
509.72696	1.4
523.39917	14.7
585.41516	1.6
649.43213	2.9
667.44214	89.3
668.44861	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	667.3302
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
51.71309	0.4
53.03943	0.9
55.01868	0.5
55.05516	2.0
56.09792	0.4
57.03446	2.0
61.02933	4.0
67.05511	5.2
69.03435	3.1
69.07066	1.4
69.54579	2.3
71.01358	1.0
71.04983	0.8
73.02917	3.2
79.05497	4.8
81.03420	5.8
81.07050	3.2
81.49802	0.4
83.04988	1.8
83.08615	1.1
85.02919	5.0
85.06550	0.6
91.03963	1.8
91.05468	3.2
93.07040	5.1
93.85674	0.5
95.04979	2.0
95.08613	1.6
97.02905	4.2
97.06531	1.5
97.10216	0.8
99.04472	1.0
101.02387	1.4
105.07042	2.0
107.04974	0.7
107.08598	3.7
108.74993	0.5
109.02894	1.5
109.10169	1.0
111.04465	0.8
113.92443	0.4
117.06969	0.5
119.08596	1.4
121.10173	1.5
127.03943	2.0
129.07025	0.7
131.08582	0.5
133.10106	1.1
135.11688	4.8
145.10147	1.2
147.11707	0.9
157.10078	0.5
163.11195	2.0
169.83385	0.5
175.11235	0.5
181.12263	0.5
193.12283	1.0
209.11900	0.5
211.13330	0.9
219.23378	0.4
219.26154	0.4
221.11641	0.8
223.13179	0.6
223.40288	0.4
227.12900	0.6
243.08464	1.8
243.80035	0.4
251.12584	0.8
255.15929	0.6
277.14001	0.5
283.15424	0.6
439.19427	10.3
469.20374	3.8
642.89233	0.5
649.35199	0.6
667.33020	100.0
668.33466	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	667.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90028	1.1
57.03437	2.6
61.02928	2.0
67.82014	1.3
69.03425	9.5
70.99649	1.1
71.48286	1.1
73.02937	2.4
79.05508	1.2
81.03433	5.5
82.44152	1.1
85.02908	11.9
87.04465	1.4
91.03967	1.3
91.71913	1.0
95.04980	2.6
97.02365	1.1
97.02911	6.2
105.03406	1.6
107.04962	2.1
109.02907	1.8
109.06528	1.0
112.21677	1.0
117.05758	1.5
117.07035	1.2
118.06577	1.1
119.53772	1.2
120.08111	6.8
123.04446	2.0
125.02365	2.1
127.03939	3.0
129.07014	14.0
130.06529	9.4
133.02875	2.0
135.04404	1.9
137.05975	1.9
143.07312	9.4
144.08096	13.8
145.08823	2.7
146.09648	3.8
151.03926	2.8
152.10732	9.9
156.08099	68.4
157.08876	21.0
158.09660	90.9
167.22444	1.1
168.08279	1.3
170.09630	1.6
179.03458	4.2
180.08221	1.6
182.09698	2.5
188.65503	1.1
189.01852	2.5
191.03429	2.0
193.04965	1.3
194.09694	5.0
207.02904	16.6
207.10321	1.2
212.10745	1.9
220.11150	1.9
222.09184	4.6
223.09912	3.9
225.07921	1.3
229.13452	1.3
232.11348	2.1
234.09113	1.2
236.10741	1.1
247.09990	1.5
248.10825	4.9
254.71690	1.1
255.02956	7.7
257.13019	2.2
261.07825	1.1
262.12357	2.6
264.13556	1.4
266.11929	1.9
271.30560	1.0
272.10696	2.1
274.12140	1.9
275.13904	1.6
276.10257	2.6
280.13187	1.2
290.11804	3.4
292.10373	1.3
292.13452	4.3
308.12878	2.3
310.14383	45.1
311.15082	1.4
318.11310	6.9
336.12323	27.4
354.13379	100.0
355.13770	1.1
498.17676	1.6
516.18665	60.1
517.18646	2.3
667.28619	100.0
668.28778	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	665.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05502	3.3
57.07062	1.5
63.42484	0.7
67.05516	4.2
69.07063	3.6
69.16101	7.9
71.05000	1.1
79.05498	5.9
81.07054	9.1
82.26805	0.7
83.04994	5.0
83.08606	2.2
89.03922	8.8
91.05477	6.6
93.07047	9.0
95.04911	1.7
95.08057	1.3
95.08604	12.3
97.06521	2.0
97.10179	0.8
102.12771	0.7
105.07023	11.2
107.04927	0.9
107.08600	15.1
109.06519	1.6
109.10152	8.0
111.08055	1.4
117.03384	25.1
117.07020	2.7
119.08578	14.4
121.06506	1.3
121.10138	10.4
121.95036	0.8
123.11711	3.4
125.05994	1.5
125.09619	2.4
129.07005	1.5
131.08566	6.7
133.10123	11.8
134.03603	2.1
135.04430	1.3
135.11691	3.7
137.09622	1.2
143.08566	3.4
145.02843	49.7
145.10118	12.8
146.03165	0.8
147.11699	6.9
149.05989	7.9
149.09627	1.3
149.13278	2.6
151.07581	1.0
151.11203	1.4
156.03421	0.7
157.10115	2.4
159.11700	10.5
161.13240	4.4
163.03862	1.1
163.11189	1.6
163.14854	1.7
170.10909	0.7
171.11661	1.8
172.12465	1.2
173.13242	5.7
175.14845	4.4
177.05469	100.0
177.16394	4.7
178.05855	1.2
181.12238	1.8
183.11697	1.0
185.13197	1.8
186.05486	1.8
187.14796	9.9
189.16374	11.4
191.14317	2.6
191.17928	3.0
195.06606	1.7
199.14757	2.5
201.16374	18.4
203.17903	3.1
205.15869	2.2
207.63029	0.9
213.16362	5.9
215.17938	7.0
217.15872	1.8
217.19464	2.0
219.17418	8.8
227.18047	1.2
233.18918	1.5
235.16856	4.9
239.18013	1.2
241.19647	1.8
243.21143	1.6
247.16959	2.3
253.19542	0.9
255.21068	1.2
257.22772	1.0
261.18524	2.7
267.21133	2.5
275.20044	1.7
281.82315	0.8
305.81418	0.8
330.81650	1.0
389.31937	2.4
404.27570	0.8
407.33020	14.3
409.34567	1.8
425.33813	1.3
435.32455	3.0
453.33710	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	665.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21732	0.4
51.56234	0.4
53.03927	0.6
55.01849	0.5
55.05510	2.6
57.07073	0.6
63.02356	0.4
65.03920	0.4
65.09760	0.4
67.05505	3.5
69.07066	3.1
69.36440	0.8
69.36842	2.8
79.05495	3.2
81.07055	7.0
83.04971	1.6
83.08609	1.8
85.06540	0.7
89.03918	8.1
91.05493	4.2
92.61607	0.4
93.07046	7.3
95.04978	1.2
95.08606	11.0
97.06521	0.8
97.10178	0.8
103.05464	0.5
105.07038	7.4
106.04155	0.5
107.08595	10.4
109.06500	1.2
109.10165	7.4
111.08068	1.4
111.11692	0.4
117.03382	20.1
117.07029	1.3
119.08588	13.2
121.06484	0.6
121.10143	7.4
123.08084	0.8
123.11726	2.9
125.09633	2.9
129.06992	1.3
130.38651	0.5
131.08560	5.0
133.10149	8.6
134.03639	1.6
135.04398	1.3
135.08031	0.8
135.11693	4.3
137.09662	0.6
143.08582	2.1
144.09282	0.5
145.02849	48.0
145.10115	10.2
147.11699	6.0
149.05984	7.7
149.09642	0.6
149.13245	2.9
151.11176	1.1
157.10136	1.7
159.11707	9.1
161.09573	0.6
161.13263	4.6
163.03955	1.2
163.11119	0.7
163.14825	3.0
169.10133	0.5
171.11681	1.9
173.13283	4.5
175.14796	4.9
177.05473	100.0
177.16374	4.2
178.05783	0.7
183.11703	0.8
183.98842	0.5
185.13235	1.5
186.05496	1.2
187.14815	12.1
189.16402	10.9
191.14250	2.2
191.17935	2.2
193.15991	0.4
195.06522	7.9
197.13229	0.8
199.14798	2.2
201.16380	12.3
203.17932	3.7
205.15900	1.8
207.17447	0.6
213.16383	4.6
215.17935	7.0
217.15839	2.9
217.19522	1.6
219.17476	6.2
221.15349	0.7
225.16190	0.8
227.17857	1.6
229.19537	0.9
231.17464	0.7
233.19041	1.0
235.16913	3.4
235.63036	0.5
239.17979	0.7
241.19516	1.3
243.21027	1.0
245.18932	0.7
247.16997	1.9
249.18654	0.9
251.17941	0.5
253.19414	0.8
255.21077	0.8
261.18527	2.3
267.21097	1.6
275.20026	0.8
323.99182	0.5
389.32007	3.1
407.33127	10.8
409.34506	1.3
423.32510	1.0
425.33923	0.9
435.32593	3.3
453.33670	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.89853	0.4
54.03555	0.4
55.01869	0.6
55.05509	2.4
57.03424	1.7
61.02930	3.3
61.10788	0.4
63.28090	0.4
67.05180	0.7
67.05508	8.2
69.03429	2.6
69.07069	1.9
70.21336	1.0
71.01357	0.5
71.05009	0.7
73.02927	2.7
76.28184	0.4
78.69324	0.4
79.05502	4.2
81.03421	3.0
81.07054	9.0
83.04981	1.7
83.08616	1.5
83.94603	0.4
85.02903	3.2
85.06540	0.9
86.47908	0.4
91.03971	2.0
91.05482	3.3
93.07047	6.0
95.04968	1.3
95.08614	3.1
95.88834	0.4
97.02887	3.5
97.06509	1.1
98.21531	0.5
99.04441	0.8
101.02380	1.8
105.07045	2.2
107.08609	3.7
109.02879	1.1
109.06538	0.9
109.10207	2.1
111.08099	1.0
117.07023	1.3
119.08562	2.0
121.10157	3.2
123.08076	0.8
123.11726	0.8
125.09647	0.6
127.03925	0.8
129.05559	0.6
129.06976	0.6
130.13763	0.4
131.08553	2.0
133.10110	2.0
135.08063	1.0
135.11668	0.8
137.09573	0.4
145.02875	1.1
145.10181	0.9
147.11720	1.2
149.09680	0.9
149.13249	2.9
159.11703	2.6
171.11664	0.5
173.13220	0.5
177.05479	2.4
177.12770	0.8
187.14824	0.5
189.11095	0.5
195.13702	0.7
201.16400	0.5
224.35881	0.4
235.13145	1.6
243.08551	1.8
269.17654	0.8
275.20157	1.6
291.15613	0.6
350.50305	0.5
373.18304	0.8
453.20966	14.5
503.34476	0.6
647.37524	1.2
665.35083	100.0
666.35388	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	665.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
54.97840	0.4
55.01871	0.5
55.05499	1.7
57.03428	1.6
61.02938	4.3
67.05179	0.7
67.05511	7.5
69.03431	2.8
69.07063	2.1
69.83671	1.8
71.04988	1.0
73.02922	3.4
79.05499	4.2
81.03413	1.9
81.07068	7.0
83.04974	1.6
83.08637	2.3
85.02914	4.0
85.06538	0.9
91.03953	2.6
91.05479	3.7
93.07059	6.5
95.04968	1.8
95.08613	2.6
97.02908	3.3
97.06539	1.4
97.10236	0.4
98.20805	0.5
99.04479	0.7
101.02397	1.5
105.07061	2.5
107.04951	0.7
107.08607	4.4
109.02897	1.1
109.06520	0.8
109.10155	2.0
111.08054	0.9
116.04026	0.5
117.07037	1.0
119.08605	2.5
121.06493	0.7
121.10163	2.8
123.08010	0.6
123.11725	1.1
125.06015	0.6
125.09693	0.7
127.03933	1.4
129.07021	0.5
131.08586	1.8
133.10139	2.2
135.11711	1.1
145.02832	0.6
145.10147	0.9
147.08110	0.6
147.11646	0.6
149.13249	3.1
151.07561	0.6
159.11739	1.9
163.11270	0.7
164.34421	0.4
166.93977	0.5
177.05521	1.7
195.13838	1.1
221.15305	0.7
229.14348	0.5
235.13145	2.0
243.08459	1.9
263.07425	0.5
269.17548	1.2
275.20142	1.1
349.23532	0.7
388.80124	0.5
453.14764	0.5
453.20972	14.7
454.20911	0.7
503.29105	0.6
647.37860	0.8
665.35077	100.0
666.35645	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	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
54.17543	3.5
55.05516	23.8
57.03430	9.9
57.07067	14.8
60.21329	3.4
65.03950	3.8
67.05508	100.0
68.50031	3.5
69.07071	32.5
71.48814	3.8
74.62331	4.5
78.05389	3.5
79.05502	48.7
80.05014	6.1
81.03432	5.3
81.07062	95.1
83.04995	9.6
83.08606	17.1
85.06516	3.4
85.10186	4.7
87.04507	3.8
91.05083	3.5
91.05499	39.2
93.07049	51.0
95.04971	7.6
95.08614	57.7
97.06518	9.1
97.10190	10.2
98.98446	11.5
105.07050	27.8
107.08599	32.7
109.06510	6.7
109.10181	22.8
111.08086	5.1
117.07018	10.1
119.08572	19.9
119.78597	3.8
119.96981	4.7
121.10144	19.2
123.11732	7.1
131.08551	14.7
133.10114	15.5
135.11681	13.4
145.10158	11.5
147.11673	10.3
149.09723	4.1
149.13298	13.7
159.11729	12.3
163.11259	7.0
163.94020	4.2
173.13298	7.7
177.12764	6.2
195.13901	5.1
238.80066	4.0
251.04517	4.5
255.15971	8.8
255.25670	3.8
257.18948	7.1
263.23651	6.1
267.16074	4.7
269.17456	10.4
275.20142	21.9
295.69623	4.1
322.76810	3.8
327.07834	15.9
328.07980	10.8
337.27359	54.3
340.33990	4.3
349.23828	12.0
374.68314	4.2
383.13986	5.6
384.14645	5.4
440.20758	4.7
496.26895	9.0
510.61859	4.3
517.39056	10.9
531.40466	63.9
552.32922	13.4
608.39648	6.9
611.45929	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	664.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05277	0.7
55.05513	8.1
57.03443	9.9
57.07080	22.1
59.04990	3.0
61.02924	4.7
65.03935	1.3
65.34815	0.6
67.05509	67.8
68.21103	0.6
69.03409	1.4
69.06779	0.6
69.07072	5.9
70.14304	2.7
71.04971	2.2
71.08637	16.8
71.09023	1.6
73.02907	1.5
79.05495	3.0
81.03397	0.8
81.07063	18.8
83.08141	1.0
83.08624	11.0
85.02904	3.2
85.06533	2.0
85.10190	9.4
89.06003	0.8
91.03938	1.4
91.05478	5.9
93.07040	5.3
95.04942	0.8
95.08613	15.7
97.02901	2.5
97.10190	3.1
103.07581	0.9
105.07039	2.9
107.08585	2.9
109.10162	65.8
111.08067	2.3
115.44819	0.6
117.07015	1.0
119.08596	5.8
121.10136	1.6
123.08100	0.7
123.11716	2.0
131.08611	1.3
133.10155	1.6
135.11678	1.4
136.08279	0.6
137.09633	2.7
143.08481	0.9
145.10143	2.5
149.69528	0.6
155.10666	5.1
157.10139	0.9
173.11751	14.2
175.14871	1.0
184.07349	1.6
209.13280	0.7
221.15326	1.9
229.14363	100.0
230.14786	0.9
239.23688	1.0
257.24756	1.6
275.20279	1.2
313.27377	75.7
467.37354	61.8
468.37891	0.7
549.01788	0.7
567.41797	0.9
664.48309	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	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77826	0.4
53.21487	0.5
55.05483	0.8
57.07078	52.7
57.07342	2.1
57.07479	1.4
65.03923	0.7
67.05494	0.8
70.86974	0.5
71.50484	0.7
77.03941	0.6
79.05452	0.9
81.07040	0.9
83.08588	0.4
87.04455	1.0
91.05009	0.6
91.05489	7.1
91.52841	0.4
91.53456	0.5
93.07013	1.0
95.04932	1.3
95.08577	1.2
105.07013	2.4
107.08555	0.6
117.07048	0.5
119.08567	1.5
132.54469	0.5
133.10162	0.6
147.11697	6.9
152.06227	1.4
153.07002	3.1
161.13306	0.5
171.08018	1.3
175.01588	0.8
215.02684	0.7
228.09271	0.9
229.10146	1.4
233.03610	7.1
251.04674	17.8
282.47443	0.6
307.10837	2.0
325.22314	0.5
327.07806	100.0
328.08209	2.4
363.17294	0.5
383.14069	71.6
384.14438	1.9
406.60663	0.4
439.20349	65.1
440.20609	1.6
495.26599	72.6
496.27014	1.9
551.32861	93.3
552.33313	3.4
607.39105	59.9
608.39453	2.3
663.35114	0.4
663.45319	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41273	0.5
53.03929	0.5
57.07082	50.9
57.07343	2.3
57.07481	1.6
60.18709	0.5
69.48243	3.6
77.03986	0.7
87.04451	0.5
87.38909	0.6
91.05492	6.1
95.04956	0.9
105.07000	2.2
117.07010	0.8
119.08563	1.4
132.09335	1.2
147.11688	7.5
152.06242	1.2
153.06989	3.7
171.08073	0.9
175.01581	0.9
215.02701	0.7
228.09344	1.3
229.10123	1.3
233.03638	6.4
251.04707	18.0
251.52266	0.6
307.10950	1.8
327.07828	100.0
328.08191	2.0
363.17151	0.6
383.14099	75.4
384.14474	0.9
439.20377	66.4
440.20795	1.0
495.26636	69.5
496.26477	3.0
517.20367	0.6
519.62219	0.7
551.32910	86.5
552.33276	1.9
607.39166	53.5
608.39526	1.8
663.45294	10.4
664.45392	0.6
693.38428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08824	0.8
69.03450	0.8
69.07077	1.5
69.23637	8.6
76.40323	0.9
79.05514	1.5
91.05461	1.0
94.06598	1.0
95.08615	0.9
96.10051	0.8
105.48161	1.0
120.08102	1.4
121.10209	1.1
122.05998	1.4
135.06752	0.9
140.07088	2.8
140.60329	0.8
144.08093	1.6
146.06029	2.5
152.07092	2.8
162.05641	0.8
163.03862	0.9
166.08609	1.0
167.07094	0.8
172.03975	2.4
174.05562	1.3
176.07019	1.8
194.08144	3.2
197.10835	0.9
207.75812	0.9
225.10320	6.3
227.11792	1.3
237.10316	1.1
239.11841	2.1
240.12604	1.7
249.10205	2.0
250.10934	1.3
251.11804	2.8
252.15652	1.5
253.09755	9.1
262.08795	1.0
263.08276	1.1
263.11755	2.9
265.09677	5.6
266.10413	4.3
267.11362	5.1
268.12326	1.2
269.12891	3.0
277.09723	3.1
278.10641	1.1
279.11322	3.0
280.08398	1.0
280.12048	2.3
281.12918	2.0
282.09930	1.9
283.10791	2.5
283.14279	1.2
284.11508	2.0
285.12329	2.4
287.14005	3.2
291.11182	1.6
292.12253	1.0
293.09250	18.0
293.12476	1.9
294.10031	18.8
294.13354	0.9
295.10773	11.3
297.12357	9.4
299.13968	1.8
307.10809	1.1
307.14209	1.0
308.11575	1.3
309.12363	36.2
312.11111	4.3
313.12015	6.9
313.15289	1.7
323.13898	1.2
324.10931	1.2
325.11920	4.2
327.13440	17.6
328.14169	1.5
330.16074	1.4
335.10287	1.7
336.11230	1.2
339.13348	10.3
340.14133	1.6
341.14996	3.1
345.14236	1.1
351.13409	12.6
353.11316	2.2
354.12051	1.2
356.13812	1.2
357.15387	1.1
358.15353	1.4
367.12897	7.5
368.13617	2.5
369.14496	100.0
370.15015	2.8
384.13416	2.4
385.14145	1.5
390.18228	1.1
398.15115	1.5
399.15695	6.7
400.16714	6.4
401.17114	33.3
417.16595	1.6
418.17615	1.8
458.17233	5.9
459.17923	4.6
468.21002	2.1
482.97806	1.0
490.19873	1.4
508.20874	32.8
509.21613	18.8
540.23517	14.7
541.24023	5.0
581.24109	1.1
599.25037	27.7
631.27277	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	662.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
53.03950	6.8
53.45340	2.4
53.79116	2.2
54.66199	2.1
55.01885	2.7
55.05519	35.3
57.03439	6.4
57.07077	10.7
57.53894	2.3
59.04998	2.8
59.95653	2.2
64.13055	2.4
65.03935	5.5
67.05511	61.3
69.07071	22.2
69.73692	12.6
71.08623	4.2
73.27128	2.1
79.05499	52.1
81.03441	8.0
81.07061	54.2
83.04967	6.2
83.08624	27.6
85.06527	3.5
87.04484	28.9
91.05491	46.4
93.07050	46.5
95.04980	18.3
95.08612	43.8
97.06554	9.2
97.10178	7.4
98.98487	10.2
105.07042	42.6
107.04971	9.6
107.08597	31.8
109.06517	5.8
109.10170	16.2
111.08089	8.5
117.07012	15.8
119.08589	40.1
121.06488	11.0
121.10159	23.8
123.08079	8.2
123.11742	2.7
125.09643	6.7
129.06999	5.2
131.08586	25.8
133.06534	3.6
133.10138	24.3
135.08057	6.9
135.11700	15.0
135.46973	2.7
137.09627	2.7
142.03349	2.3
143.08565	6.5
143.25050	2.3
145.10156	32.7
147.11682	10.9
149.09619	20.3
149.13257	5.7
151.11234	4.4
154.62856	2.5
155.01044	7.9
155.08609	3.6
157.10167	5.2
159.11761	14.4
161.09610	2.5
161.13278	4.3
163.11180	18.6
165.12724	3.9
169.06602	2.2
169.10141	4.8
171.11717	6.7
173.09732	3.9
173.13275	8.2
177.12790	7.9
183.11740	4.7
184.07268	3.1
185.13191	3.2
187.14789	3.0
189.11292	2.8
191.14375	2.5
197.13370	2.9
201.12819	3.0
205.12260	8.9
207.02315	2.3
227.12825	3.8
229.19646	2.3
239.17937	10.9
247.20601	4.4
251.16347	2.7
252.16551	4.6
257.19077	14.7
259.20663	4.9
261.22275	2.9
275.20099	100.0
279.16284	2.8
293.21103	8.2
297.17023	3.4
335.25876	10.8
349.19775	4.7
349.23770	59.6
367.24863	26.0
390.38571	2.3
529.38739	9.9
627.46014	4.0
662.46350	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01866	4.1
55.05264	2.9
55.05513	31.4
57.03440	13.7
57.07076	9.2
58.45984	1.6
59.04978	2.1
65.03949	5.6
66.14425	1.7
67.05507	95.7
68.38861	1.7
69.03417	3.6
69.07076	30.0
70.74339	3.4
70.74676	3.2
71.04986	4.3
71.08611	1.9
71.18568	1.6
79.05498	74.5
81.03412	6.3
81.07059	100.0
83.04976	6.3
83.08613	15.1
85.06566	2.2
87.04471	22.9
91.05486	59.8
93.07048	80.9
95.04990	14.3
95.08612	56.1
97.06533	11.7
97.10160	6.1
99.08074	2.5
105.07038	40.2
107.04952	3.8
107.08596	45.7
109.06529	6.7
109.10171	22.8
111.08087	5.7
115.05454	2.2
117.07025	15.7
117.08842	1.5
119.08591	30.2
121.06493	4.8
121.09335	2.6
121.10163	31.4
123.08041	4.7
123.11710	7.9
128.06075	1.6
129.06995	6.2
131.08582	24.0
133.08600	2.4
133.10132	26.7
135.08092	5.4
135.11679	23.4
137.09598	3.2
137.13330	3.0
143.08577	2.5
144.71286	1.9
145.10133	15.9
145.25085	2.1
147.11673	15.2
149.09589	5.2
149.13264	18.0
155.00954	2.3
157.10168	3.7
159.11696	16.7
161.13264	5.9
163.11186	6.3
163.14850	3.1
169.10167	2.8
171.11679	3.5
173.13257	6.8
175.96782	2.3
177.12706	4.0
179.14273	2.2
183.11722	2.1
185.13148	3.6
187.14798	2.7
195.13776	7.5
196.25409	1.6
197.13358	3.2
227.12852	2.0
229.14165	2.1
233.18752	2.0
247.20601	2.5
251.16422	1.7
255.15874	9.9
257.18994	6.3
259.20575	2.7
261.22256	9.6
269.17426	12.9
275.20120	21.2
277.21622	4.0
335.25809	65.9
349.23721	10.6
351.25580	2.4
512.24310	1.8
515.37170	18.1
521.38440	4.8
528.64716	2.1
529.38910	73.8
569.41516	3.2
606.28101	4.2
609.44922	7.5
622.27777	2.3
627.45642	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.3
55.01874	10.3
55.05512	51.3
57.03429	10.2
57.07079	11.5
65.03941	4.8
67.05185	6.9
67.05511	82.0
69.03405	6.1
69.07069	38.4
71.86492	4.0
79.05489	81.9
81.07063	81.8
83.05000	7.3
83.08628	30.7
85.06536	6.4
87.04473	74.6
91.05502	47.2
93.07042	60.3
95.04948	8.3
95.08592	38.7
97.06531	8.4
97.10177	55.0
105.07034	44.0
107.08594	79.8
109.06476	7.0
109.10162	23.6
115.05379	4.3
115.48235	4.1
117.07023	18.7
119.08597	30.6
121.06488	6.1
121.10129	20.3
123.11652	6.6
125.09633	54.6
131.08566	15.0
133.10135	17.8
135.08073	11.9
135.11681	18.7
143.08493	5.2
145.10095	23.7
147.11710	13.6
149.09621	11.0
149.13277	7.2
151.07469	5.6
157.10080	5.3
159.11684	12.1
161.13295	7.0
173.13252	9.1
189.11217	33.8
227.12785	100.0
239.17854	5.0
241.57988	4.5
242.54265	4.5
257.19077	4.7
261.22147	13.0
267.15649	5.2
275.20096	37.2
277.21793	10.4
335.25824	58.7
349.23773	30.5
500.74268	4.9
505.34808	22.3
609.45209	39.3
662.43701	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	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
53.36385	1.8
55.01879	2.1
55.05270	2.6
55.05511	28.3
57.03440	12.7
57.07062	9.1
62.20139	2.0
65.03914	2.3
66.54224	2.1
67.05507	100.0
69.07070	29.9
69.82413	6.8
69.82811	3.9
71.04977	3.4
75.81688	1.9
76.13360	2.0
79.05498	79.1
81.03403	8.2
81.07058	95.5
82.07392	2.6
83.04985	10.8
83.08615	13.9
85.06539	3.8
85.20518	1.9
87.04467	30.3
89.06023	2.3
90.56485	2.1
91.05478	51.0
93.07046	70.6
95.04961	9.7
95.08606	51.4
97.06525	7.1
97.10162	3.9
98.20941	3.6
98.98434	3.8
99.08086	4.8
105.04527	3.9
105.07030	35.6
107.04945	3.6
107.08597	37.7
109.06528	3.2
109.10171	19.2
111.08055	7.5
115.05432	2.2
116.06223	2.2
117.07019	15.9
119.08583	27.2
121.06437	4.7
121.10139	27.1
123.08060	5.8
123.11711	5.7
129.07001	4.6
131.08572	23.3
133.10121	23.2
135.08070	3.7
135.11691	19.7
143.08530	6.3
145.10118	16.2
147.11708	13.9
149.09598	3.7
149.13246	13.7
152.04294	2.5
157.10146	3.7
159.11656	13.3
161.13226	6.7
163.11139	6.4
169.10106	3.2
171.11665	3.3
173.13257	5.7
177.12769	5.5
179.13937	2.6
185.13289	2.9
195.13785	4.0
199.14798	2.0
207.87169	2.2
212.47057	2.2
227.12761	2.1
233.19096	3.3
243.20932	2.2
255.15886	5.7
257.18976	3.8
261.22067	8.5
267.16193	2.5
269.17490	9.4
275.20157	16.4
293.21451	2.2
322.64880	2.3
335.25830	39.4
349.23737	7.3
459.21582	5.6
515.37506	11.2
521.38629	5.6
529.31519	3.7
529.38940	45.4
547.26752	2.9
606.28772	12.3
609.44971	4.2
622.27283	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	662.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05513	6.6
57.03434	1.8
57.07080	12.6
65.03938	0.7
65.45239	0.5
67.05503	12.3
69.03439	0.7
69.07068	4.8
71.04980	1.6
71.08636	8.9
71.50252	0.8
79.05062	1.0
79.05495	11.2
81.03420	1.4
81.07060	13.8
83.04978	2.0
83.08623	7.2
85.10179	4.9
86.09688	1.5
87.04481	6.2
91.04994	0.6
91.05474	4.0
93.07043	15.8
95.04971	3.0
95.08608	23.4
97.02863	1.0
97.06539	1.4
97.10165	2.0
98.98461	1.1
99.04466	2.6
105.07050	4.0
107.04971	3.2
107.08605	13.8
109.06547	1.5
109.10176	4.9
109.86987	0.7
117.07013	3.9
119.08581	6.1
121.06512	2.7
121.10124	5.1
123.11728	1.5
124.01575	0.5
124.99947	0.8
125.05984	0.9
131.08583	0.6
133.10135	1.5
135.08012	0.7
135.11697	20.8
137.13234	0.9
139.62993	0.6
143.08589	0.7
145.10136	13.0
147.11478	0.5
155.01024	1.0
163.11186	27.5
181.12225	5.3
184.07359	5.4
209.11729	1.4
222.85187	0.6
224.16370	0.8
227.12790	33.9
239.23778	0.8
252.16019	5.0
275.20303	0.8
282.28003	2.7
283.15509	2.7
291.19479	0.8
313.27359	2.2
363.12009	0.6
521.38416	100.0
522.38867	4.1
662.40924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	3.0
62.63718	1.6
81.07052	2.3
85.17768	1.7
87.04465	22.1
94.05488	1.7
95.34136	2.1
108.29472	1.7
167.26678	2.0
278.96481	2.2
417.20825	5.5
418.21704	2.7
430.22055	2.3
431.18115	3.9
433.23947	8.8
444.19067	5.6
445.20261	7.2
446.16971	3.8
447.17960	5.7
459.21790	61.9
460.22809	13.1
461.23239	6.6
471.21469	2.3
473.23672	3.4
475.21365	18.3
476.22116	3.8
477.22733	2.6
503.25031	3.7
519.23792	12.9
531.24017	3.6
533.21545	4.5
535.23395	5.5
545.25415	5.4
547.27325	28.9
561.09174	2.5
563.25934	6.1
591.25720	4.3
593.24030	7.4
605.27289	7.6
606.28406	100.0
607.28186	7.6
622.27820	63.6
623.27435	2.5
662.29602	12.2
663.30084	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	662.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56193	0.9
53.03955	3.6
55.01848	2.3
55.05513	16.9
55.05765	0.7
57.03436	20.7
57.07040	2.1
57.07321	0.6
58.91954	0.7
59.04986	1.3
61.02899	3.2
65.03934	1.7
67.05505	44.7
68.44753	0.8
69.03428	4.8
69.07066	13.3
69.39827	5.6
71.01339	3.0
71.04985	6.1
73.02916	0.9
77.03885	1.1
79.05495	42.8
81.03417	48.9
81.07058	30.6
83.04507	1.4
83.04979	18.8
83.08174	1.2
83.08621	15.5
85.02908	19.6
85.06548	3.6
86.09250	0.6
86.09713	6.0
89.29131	0.8
90.96586	0.9
91.03947	1.0
91.05482	29.1
92.05766	0.8
93.07044	47.0
95.04395	1.0
95.04967	19.5
95.08607	8.8
96.02090	0.8
97.02911	3.8
97.06522	10.7
97.09645	0.9
97.10165	10.7
99.04435	1.4
99.08054	2.6
105.04490	1.1
105.07030	18.2
107.04969	6.2
107.08591	29.0
109.06525	4.3
109.10165	6.3
111.04386	2.0
111.08086	9.0
113.05994	1.5
115.05460	1.8
117.07027	4.8
119.04942	0.7
119.07815	1.2
119.08586	16.4
121.06465	2.9
121.10146	11.0
123.08046	1.7
123.11649	1.5
125.00008	5.8
125.09636	1.6
127.03956	0.9
129.06998	7.5
131.08569	7.3
131.48944	0.8
133.06436	2.4
133.10121	9.8
135.08025	1.6
135.11690	41.4
137.09576	2.8
142.07788	1.4
145.10115	10.2
147.08058	2.2
147.11688	8.3
149.09613	4.1
151.11200	1.0
153.12703	1.7
157.10147	9.3
163.11180	5.7
165.12723	1.6
175.11200	9.7
181.12262	9.8
184.07341	22.2
193.12247	27.7
199.13249	2.1
210.79018	0.7
211.13295	39.8
249.15018	1.6
255.15909	99.6
256.16248	0.9
267.15912	20.4
276.45767	0.7
285.16968	25.9
292.26123	0.7
421.25519	1.1
447.27390	41.3
448.27893	1.1
465.28494	100.0
466.28656	3.2
515.84692	0.8
534.45752	0.8
662.36694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.8
69.07068	21.4
71.49207	1.6
74.78973	0.9
79.05473	1.5
79.65266	1.0
81.07076	1.4
85.02888	1.1
86.09686	3.2
91.05464	1.3
95.05001	1.3
95.47269	0.9
97.23717	0.8
107.04907	1.1
108.08086	1.2
109.06422	0.9
124.99963	3.4
134.05998	1.2
140.05977	1.5
140.07054	22.4
144.08069	5.5
145.06435	1.0
148.07568	0.9
166.08565	1.0
167.07103	1.7
171.09164	16.1
184.07330	13.0
185.07664	1.1
211.08557	1.8
224.09065	1.0
225.10275	2.2
226.10902	1.7
233.08067	1.5
236.09424	1.1
237.10194	3.0
238.10941	2.3
239.11710	1.2
241.13332	8.1
249.10167	3.4
251.11751	4.4
252.09122	1.2
253.09741	2.4
255.11089	1.2
263.08548	1.4
263.11792	1.0
264.08896	1.7
265.09787	5.4
265.13327	0.8
267.11249	15.2
269.09134	1.0
269.12805	4.7
276.67996	1.0
277.09668	2.6
278.10434	1.9
279.07864	1.9
279.11288	7.0
279.50803	0.9
280.08624	1.7
280.11893	1.6
281.09082	1.3
281.12860	1.2
284.11685	1.4
287.13843	3.7
290.10318	0.9
291.11267	0.9
293.09253	2.6
293.12845	3.2
294.09979	2.5
295.10748	12.0
295.13840	1.8
297.12296	3.3
305.09149	1.3
307.10745	3.3
309.12189	1.7
310.09097	1.1
311.10358	4.6
312.11053	1.1
313.05505	1.0
313.11688	1.5
321.12064	1.0
325.11847	6.7
327.13226	3.4
333.08588	1.6
337.11780	1.7
337.15433	8.4
339.13278	10.0
340.14188	1.8
343.12997	1.7
351.09741	4.1
353.11188	7.4
353.14911	1.8
357.14444	1.5
363.16183	1.3
366.12128	2.6
367.12866	3.7
368.13626	2.4
369.14435	2.8
373.14658	1.0
383.12097	1.9
384.13293	1.3
385.13745	7.4
398.14966	2.5
399.15527	13.8
400.16299	1.6
406.17365	1.3
412.16748	1.1
434.17087	13.6
447.15463	1.3
448.18707	1.4
451.16898	1.1
458.16943	2.3
464.18008	1.8
465.18729	1.3
466.19638	9.8
474.16357	1.2
478.19855	3.5
490.19559	2.7
492.17773	2.5
499.20547	3.4
506.19180	12.2
507.19778	3.7
524.20526	4.5
538.21863	40.4
539.22632	100.0
540.22821	3.7
545.26984	1.1
571.77783	1.0
579.23065	1.3
597.23486	8.9
611.24854	1.2
629.26111	17.9
661.24646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01863	1.7
55.05510	10.2
57.03442	6.2
57.07059	1.4
61.02939	4.6
65.03934	1.6
67.05511	38.9
69.03427	1.4
69.07075	10.5
70.06596	0.8
71.04997	3.3
73.02927	0.8
79.05500	23.7
81.03410	3.4
81.07059	53.0
82.07391	0.7
83.04987	2.8
83.08621	11.7
85.02932	3.9
85.06577	1.5
88.07643	0.8
91.03953	1.5
91.05489	14.7
93.07051	34.3
95.04996	3.4
95.08614	11.0
97.02901	2.8
97.06546	6.2
97.10154	1.0
98.20760	2.1
99.08108	0.8
105.04517	0.8
105.07024	5.9
107.07882	1.2
107.08598	19.8
109.06537	1.2
109.10175	2.3
111.08093	4.0
117.07013	5.5
119.08562	1.2
121.06494	1.9
121.10139	7.1
123.08092	0.8
123.11720	3.7
124.61163	0.7
131.08568	5.7
133.10132	10.4
135.08035	0.9
135.11713	5.6
147.11696	0.8
149.13263	12.7
151.11191	1.5
154.04286	0.7
159.11737	5.8
177.12769	3.1
184.07361	0.8
186.66173	0.8
191.08438	0.7
193.04922	1.2
194.05457	0.8
195.13824	12.9
213.14838	0.8
251.16505	2.4
256.26331	0.9
269.17496	65.5
270.17786	1.2
365.93124	0.8
430.12323	1.0
431.12598	1.2
445.29648	1.8
463.30582	100.0
464.30759	3.1
660.36279	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	661.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
60.08167	1.4
67.05505	2.9
69.07069	23.4
70.79008	2.8
79.05496	1.7
80.05093	1.2
81.03379	1.6
81.07043	2.1
86.09695	3.9
93.07041	1.3
93.77087	1.0
94.06560	4.8
95.04979	2.2
107.04957	1.4
108.08090	1.6
122.06028	10.7
124.99992	3.1
134.05997	1.9
135.04449	1.2
136.07564	1.9
140.07074	40.1
146.06007	2.9
150.05481	2.2
160.07576	1.0
163.03952	1.9
167.07048	1.5
170.09613	1.4
172.03970	7.7
172.07687	1.4
173.04620	1.2
174.05499	5.4
175.36337	1.1
181.04958	1.1
184.07370	12.9
185.07629	2.2
201.10257	2.3
204.06586	11.1
206.08087	2.6
211.08635	1.2
212.10820	1.4
213.10185	2.6
218.08205	1.1
221.10542	1.1
224.09460	1.2
225.10245	3.0
227.08157	2.4
227.11691	2.0
228.12471	1.1
229.09694	2.8
233.08153	1.5
235.08733	1.3
236.09290	1.1
237.10297	3.2
238.10822	1.4
239.11801	2.6
241.09647	5.4
241.13432	7.4
242.10555	8.9
243.11382	5.2
249.10245	3.7
250.10965	1.6
251.11794	4.5
253.09740	2.2
255.11382	3.0
256.12045	6.8
257.12897	6.2
258.11298	1.7
263.08374	1.2
264.08942	2.5
265.09827	5.2
267.11307	11.6
269.08978	1.2
269.12842	2.7
271.14191	1.2
272.12720	1.7
277.09680	3.4
278.10593	1.4
279.07697	3.4
279.11276	8.4
280.08279	1.7
281.09195	2.9
281.12723	2.0
283.10571	2.0
284.11627	5.0
285.12305	3.9
287.10315	2.2
289.15491	2.9
292.08514	1.1
293.09064	3.5
293.12808	3.1
294.09909	1.8
295.07755	1.4
295.10855	13.7
295.14093	1.1
297.12234	3.4
302.12668	2.6
303.26022	1.1
305.09351	1.8
306.09363	1.4
307.10727	3.4
309.08853	1.3
309.12363	1.9
311.10211	2.6
313.11841	6.2
317.14984	82.8
323.10233	3.0
323.13724	1.2
324.10760	1.2
325.11777	8.3
326.12747	1.4
327.13223	3.4
333.08603	2.0
335.10132	1.3
336.11060	1.3
339.13443	9.3
340.14435	1.4
341.15042	2.6
345.14426	2.5
351.09781	5.8
352.10110	1.6
353.11115	7.8
353.14999	1.8
355.12708	1.1
356.13782	1.2
357.14505	1.7
366.12177	3.1
367.12756	5.6
368.13632	2.4
370.11563	1.5
370.15692	1.3
383.12421	3.3
384.12952	3.1
385.13702	9.9
398.14651	3.2
399.15475	13.8
400.16214	2.7
406.17499	3.2
434.17139	17.3
447.15408	1.1
448.18939	1.7
451.17395	1.4
457.16959	1.7
458.16931	3.8
464.18256	2.3
466.19928	12.8
470.87738	1.1
474.16483	3.2
482.57486	1.1
488.18134	1.5
489.18774	2.2
490.19647	6.8
492.17639	1.8
494.97305	1.2
506.19260	2.4
507.19778	2.0
523.11139	1.2
524.20093	4.2
538.21948	35.6
539.22656	100.0
540.22968	4.1
597.23364	9.6
611.24878	2.5
629.15985	1.6
629.26019	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	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01602	0.7
53.03947	1.8
55.05516	9.5
57.03440	7.5
57.07070	1.8
61.02930	8.4
63.73253	0.7
65.03944	1.2
67.05510	37.4
68.05818	1.0
69.03433	2.5
69.07074	10.8
69.80025	4.2
71.04997	2.7
73.02910	2.2
79.05501	21.6
81.03423	3.5
81.07063	47.7
83.04981	3.3
83.08625	8.6
85.02904	6.5
85.06549	1.4
91.03974	4.4
91.05482	11.5
93.07051	30.7
95.04971	2.3
95.08617	11.9
97.02888	4.9
97.06542	6.1
97.10186	1.4
98.20773	1.5
99.04488	0.9
99.08063	1.3
100.33155	0.8
103.03964	1.1
105.07027	4.8
107.08598	18.2
107.09714	1.1
109.06542	2.4
109.10162	3.2
111.08076	3.7
117.07026	4.8
119.08585	1.9
121.06484	1.2
121.10148	10.0
123.11679	2.0
127.03944	2.1
131.08595	6.8
133.10136	6.9
135.08051	1.3
135.11708	7.0
136.00871	0.9
136.56328	0.8
139.11209	0.9
145.04893	1.2
147.11707	1.0
149.02350	1.3
149.13264	16.9
150.02785	1.0
151.11240	1.2
159.11707	6.7
172.15131	0.8
177.12782	3.2
192.16856	0.8
193.04922	1.6
194.05351	1.5
195.13823	9.5
213.14807	2.0
257.26636	1.8
269.17499	49.8
270.17947	1.0
291.77878	0.7
335.25815	1.6
336.26175	3.2
341.16681	0.9
463.30597	100.0
464.30957	3.2
660.36481	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	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	0.9
55.05516	6.4
56.55452	0.5
57.03441	6.6
57.07086	1.0
58.16147	0.5
61.02916	1.5
65.03934	1.2
67.05511	32.9
68.05848	0.5
69.03433	0.8
69.07074	11.7
70.09740	2.6
70.58635	0.6
71.04993	3.1
71.08617	0.7
73.02921	0.9
79.05500	20.5
81.03425	2.0
81.07063	47.7
83.05001	4.2
83.08624	9.1
85.02893	2.1
85.06567	3.3
91.03973	1.1
91.05486	11.2
93.02222	0.5
93.07053	33.4
95.04999	3.1
95.08614	12.0
95.09184	1.1
97.02892	0.9
97.06537	7.7
97.10184	1.2
99.08085	1.8
105.07026	4.1
105.71667	0.7
106.81552	0.6
107.08604	19.3
109.06537	1.6
109.10172	1.9
111.08103	4.3
111.11695	0.6
113.09667	0.6
117.07028	5.9
119.08582	1.0
121.06525	1.3
121.10149	12.3
123.11681	1.3
131.08589	6.3
133.10147	4.9
135.08067	1.2
135.11722	5.3
136.73528	0.6
139.07610	0.6
139.11157	1.1
147.11673	0.6
149.09613	0.9
149.13272	20.1
159.11705	7.6
177.12788	3.9
195.13828	8.2
213.14810	1.1
251.16386	0.7
269.17499	57.6
270.17932	0.8
283.15512	0.6
297.33481	0.6
302.53009	0.6
344.96649	0.6
445.29739	0.6
463.30600	100.0
464.30786	2.7
617.76965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01877	4.5
55.02092	0.8
55.05513	13.0
57.03438	11.4
57.07058	0.9
59.04992	1.4
61.02927	2.3
61.43252	0.8
61.73716	0.9
63.92076	0.9
67.05505	27.7
69.03413	2.0
69.07073	7.9
71.01345	3.0
71.04989	4.3
72.24426	0.8
79.05493	25.6
81.03415	9.8
81.06597	1.1
81.07057	16.7
83.01337	5.1
83.04983	9.9
83.08625	6.4
85.02892	4.9
85.06532	2.2
86.09679	1.8
87.04499	1.1
91.05490	14.0
93.07043	38.2
95.04970	5.5
95.08603	6.9
97.02893	3.0
97.06540	8.0
97.10159	5.8
99.04486	1.6
99.08068	1.7
105.07008	6.1
107.04962	5.1
107.08599	25.3
109.06506	3.3
109.10151	3.1
111.04416	2.0
111.08106	2.0
117.07018	7.1
119.08588	7.6
121.06503	2.5
121.10142	6.6
123.08088	4.4
125.00002	1.0
125.05994	1.3
125.09609	1.6
127.03952	1.1
131.08565	2.2
133.10144	3.5
135.08063	1.6
135.11693	36.9
137.09648	1.3
145.10136	12.4
147.08089	1.2
153.12724	3.0
155.08553	1.2
163.11180	17.0
173.09705	1.4
181.12207	7.5
184.07393	6.0
191.10699	2.1
198.36732	1.1
199.13316	1.8
209.11778	4.0
227.04732	0.8
227.12769	3.2
233.79810	0.8
255.15919	63.5
256.15948	0.9
258.38733	0.8
265.14343	1.9
267.68365	1.0
283.15405	42.2
356.15060	0.9
373.41998	0.9
445.26074	4.2
459.94916	0.9
463.26874	100.0
464.27194	2.1
549.64758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
56.01395	0.8
56.05031	1.3
60.04520	1.6
61.61425	0.5
65.03925	0.7
70.02962	23.8
70.03347	1.2
71.06114	1.0
71.10255	1.0
72.04501	1.0
74.00682	0.5
74.02434	3.1
76.04008	7.7
82.05318	0.5
82.06571	1.7
83.04993	1.2
83.06107	2.5
84.04520	6.2
88.04008	2.8
96.04510	0.9
99.05585	6.4
103.05096	0.7
107.06087	0.8
108.04495	0.7
109.07645	1.9
110.06059	1.4
111.04408	1.1
112.03992	1.1
116.03490	4.0
117.06603	1.4
117.52742	0.5
121.01119	2.3
124.03962	0.7
125.07167	1.2
126.05503	0.8
127.05044	2.1
129.05745	0.5
129.06567	2.9
130.05013	4.9
131.04997	0.5
135.05550	1.0
137.07112	2.4
145.06099	100.0
146.06404	0.6
149.00578	6.7
153.06595	5.9
155.08156	3.5
160.00684	2.5
163.02162	1.3
163.03973	0.7
165.00044	1.1
165.06680	1.1
169.06090	1.8
171.07724	0.6
175.02057	0.5
179.01643	8.8
181.06096	2.2
183.07726	0.8
187.05400	0.5
189.00127	1.6
191.01669	1.1
192.99492	2.5
193.03218	1.7
193.06139	1.5
194.02727	7.5
194.99333	1.1
195.01131	19.2
199.07172	9.4
207.01138	7.1
208.04292	3.2
209.02733	1.2
211.07167	12.5
218.02762	0.9
219.01137	3.9
219.15698	0.5
231.04384	1.0
236.03795	6.0
237.02132	1.5
257.07834	0.8
264.03287	31.9
274.10397	6.6
297.05487	1.6
321.05542	0.6
322.03851	1.4
339.06638	3.4
347.06976	0.6
348.05386	0.7
365.08044	1.3
393.07620	10.2
405.07513	2.1
411.08466	1.0
423.08820	1.4
428.10086	2.0
468.10696	5.3
486.80081	0.6
516.49243	0.6
531.12982	4.8
539.13684	0.6
565.29187	0.6
567.12952	0.7
585.13983	9.5
660.17065	15.3
666.47272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03950	11.5
53.42920	1.7
55.01884	16.1
55.05273	2.4
55.05518	32.5
57.03447	22.4
57.07077	5.7
60.62916	1.5
65.03939	8.1
67.05510	100.0
68.99813	1.9
69.03453	3.6
69.07074	29.9
71.01349	2.9
71.04996	3.8
71.08642	2.4
77.03938	2.1
79.05500	73.5
80.06269	3.9
81.03428	14.9
81.07067	83.7
82.07464	1.6
83.04998	20.2
83.05476	2.5
83.08618	13.6
84.02136	2.4
85.06554	5.6
85.10144	1.6
89.06030	3.1
91.05489	78.2
92.67992	1.8
93.07055	75.3
95.04979	49.4
95.08616	59.3
97.02904	4.9
97.06538	11.5
97.10172	4.4
98.98476	3.8
99.08125	2.1
103.05478	6.2
105.04523	3.3
105.07042	55.6
107.04961	59.8
107.08601	32.2
108.05746	4.6
109.06516	25.0
109.10170	25.3
110.07312	2.5
111.04457	7.1
111.08100	6.2
111.11743	1.9
112.05222	6.7
113.06013	5.5
115.05472	6.7
116.06258	1.8
117.07031	26.6
119.04952	7.1
119.08591	25.5
121.06526	14.4
121.10157	21.9
122.07301	18.4
123.04459	7.0
123.08096	9.9
123.11701	7.5
125.06013	5.6
128.06238	9.3
129.07013	16.3
130.07820	2.2
131.04901	3.2
131.08585	27.2
133.06508	18.9
133.08643	2.0
133.10141	18.2
135.04451	2.3
135.08086	12.8
135.11697	12.9
136.08865	1.7
137.05995	2.2
137.09599	2.8
139.07486	2.0
139.11234	1.8
141.07008	3.5
142.07787	2.1
143.08575	11.4
145.06490	11.7
145.10136	18.5
147.08047	26.5
147.11697	8.5
148.08829	2.1
149.05936	2.0
149.09625	8.4
149.13286	5.1
151.07495	2.7
151.11247	2.5
155.01065	3.6
155.08604	4.2
157.10179	5.6
159.08073	5.3
159.11720	9.0
161.09607	20.3
161.13295	5.7
162.10359	4.2
163.07513	3.1
163.11197	7.4
165.09146	3.9
169.10164	5.1
171.11746	5.0
173.09660	3.9
173.13322	7.9
175.11195	4.8
177.09171	2.0
177.12770	5.2
183.11732	2.2
184.07410	3.0
185.13284	3.4
187.11156	3.7
187.14871	5.3
189.12854	1.9
195.11786	1.9
195.13698	1.5
197.13283	3.5
200.47105	1.5
203.14362	5.2
205.15964	3.8
209.11847	1.9
215.14365	3.3
217.15930	2.9
231.13673	2.4
233.15436	14.4
243.13710	2.3
243.17328	2.3
251.16412	3.8
261.14883	4.2
261.18622	2.6
261.22180	1.7
262.19263	1.7
271.16849	1.7
273.18585	9.6
275.20364	1.7
279.15894	1.9
289.18021	3.9
290.18814	15.6
291.19632	5.1
307.18991	5.7
311.25864	3.5
325.20044	2.6
335.18951	3.3
335.25836	76.3
347.21899	2.9
381.22760	17.7
420.94986	1.8
427.65228	1.8
489.35648	4.4
513.40302	1.8
567.40295	7.1
583.40173	1.8
595.40088	19.8
641.44336	30.7
659.28308	8.9
659.44995	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	659.392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98495	1.0
53.03937	5.2
55.01876	21.2
55.05514	52.7
57.03438	17.5
57.07077	19.3
59.05005	1.5
65.03933	3.9
67.05506	69.0
69.03427	2.8
69.07072	53.5
70.03512	1.1
71.04991	4.6
71.08643	11.6
71.49125	1.7
73.02915	5.8
73.06516	1.3
79.05499	46.7
81.03423	12.9
81.07058	83.1
82.07391	2.1
83.04980	7.8
83.08622	49.9
85.02868	1.4
85.06535	5.0
85.10179	4.3
89.06046	2.6
89.51591	1.3
91.04910	1.9
91.05486	34.5
93.07047	54.4
95.04965	11.9
95.08610	34.0
97.06538	13.0
97.10176	20.4
98.98469	100.0
99.08073	4.4
105.04581	1.4
105.07037	19.2
107.04942	3.8
107.08595	29.4
109.06522	7.0
109.10157	10.4
111.08100	8.3
111.11746	5.6
116.99481	1.2
117.07024	13.9
119.08602	12.9
121.06496	4.6
121.10142	24.5
123.08083	2.5
123.11703	7.9
125.09636	3.6
129.06975	2.9
131.08572	15.9
133.06497	1.5
133.08611	1.7
133.10135	11.6
135.08064	3.9
135.11682	18.2
136.99991	5.3
137.09596	1.7
137.13284	2.5
139.11226	1.5
143.08572	2.2
145.10114	5.4
147.08118	2.1
147.11699	9.4
149.09633	3.4
149.13264	30.7
151.11133	1.4
155.01042	81.7
155.08527	1.6
159.11703	21.0
165.12732	2.8
167.14348	1.6
171.11725	2.6
173.02122	3.4
173.13307	2.5
177.12743	41.7
183.00513	2.1
187.14874	3.5
193.02534	1.6
193.12276	1.5
195.13824	21.9
197.13252	1.3
198.94896	1.1
205.15933	1.2
207.13866	1.4
211.03659	1.9
213.14932	1.9
215.14355	2.5
217.13351	1.2
219.21170	1.4
227.12796	1.7
229.04764	2.9
229.14357	5.5
233.15253	6.9
237.22166	17.6
249.14841	1.6
251.16429	62.6
252.16805	1.6
255.23254	1.2
269.17484	38.6
270.18039	2.2
275.20038	3.5
306.65945	1.2
307.19086	3.1
311.25815	64.2
313.27383	6.1
314.27811	6.1
331.13116	3.0
347.12244	1.3
349.14114	20.1
387.15540	2.7
391.22418	1.8
405.16751	17.2
423.17795	15.6
447.25082	5.0
467.36966	2.0
468.37503	2.1
487.37930	12.0
505.38895	48.9
506.39099	1.7
508.40421	1.9
561.41479	2.6
641.38110	2.6
659.38745	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
55.01879	17.7
55.05275	2.3
55.05518	36.6
57.03195	2.7
57.03438	27.7
57.07067	5.3
57.67317	1.6
65.03928	8.4
65.47519	2.0
67.05508	100.0
69.03422	6.8
69.07072	30.6
71.01313	1.7
71.04974	6.2
71.46851	2.2
79.05499	81.2
81.03418	16.3
81.06601	4.6
81.07063	89.2
83.04978	15.7
83.08621	16.1
85.06535	8.4
91.05485	77.1
93.07045	82.7
95.01337	4.6
95.04967	48.6
95.08614	57.2
97.02912	4.5
97.06527	17.8
97.10167	7.5
98.20887	9.4
99.04507	2.8
99.08074	4.5
103.05463	4.5
105.04533	3.1
105.07039	63.1
107.04295	3.3
107.04964	35.0
107.08603	38.5
108.08923	2.1
109.06525	28.2
109.10157	23.5
111.04440	3.7
111.08073	6.7
112.05261	2.6
113.06008	14.9
114.55091	1.9
115.05443	8.3
116.06207	2.5
117.07027	36.0
119.07813	3.5
119.08590	46.7
121.06507	16.1
121.10155	22.2
123.04411	3.6
123.08071	12.5
123.11708	4.1
125.09618	9.6
128.06229	11.0
129.05446	3.7
129.06990	19.6
130.07780	4.1
131.04936	2.7
131.08578	44.3
133.06514	12.5
133.10144	38.5
135.08047	23.5
135.11688	17.7
137.09602	6.5
139.11229	2.4
141.07018	11.3
142.07744	5.5
143.08554	23.8
145.06493	8.8
145.10135	34.3
147.08058	15.7
147.11690	19.1
149.09630	13.8
149.13226	9.9
151.11194	4.5
154.07814	3.3
155.08603	11.1
156.09271	2.5
157.10123	18.3
159.08052	6.0
159.11705	24.9
161.09621	11.4
161.13232	11.7
162.41280	2.1
163.11192	10.7
163.14809	2.7
165.07016	3.4
167.08583	2.9
168.09277	2.1
169.10100	13.1
171.08080	2.1
171.11703	15.0
173.09622	4.4
173.11856	3.7
173.13200	12.0
175.11205	8.8
175.14844	5.3
177.12738	10.2
179.08592	3.7
179.14343	2.5
181.10118	6.2
183.07985	2.6
183.11633	11.0
185.09682	4.9
185.13232	9.5
187.11226	10.6
187.14844	7.6
189.12737	5.2
193.10165	5.3
193.11882	2.1
195.11722	5.4
195.13710	2.0
197.13234	7.7
199.11200	3.9
199.14838	8.2
203.14378	3.3
205.12164	3.4
205.16010	2.2
207.11757	3.1
209.13292	3.3
211.14854	4.0
213.16527	3.6
215.14377	3.0
215.17964	2.7
217.15900	6.9
221.13255	4.6
223.13199	3.1
225.16391	3.9
227.12726	4.5
229.19696	3.9
233.15411	5.7
235.14867	3.6
237.16441	2.8
239.17940	4.9
241.14352	3.4
241.19572	5.3
257.19089	6.7
259.20599	9.5
273.18500	24.8
275.20062	31.2
277.21732	2.9
279.15866	16.9
290.18872	3.0
291.19553	49.4
293.21149	2.7
313.21539	2.6
315.23199	2.9
317.21033	2.0
333.24188	10.6
347.22159	6.9
349.23779	11.0
365.23257	7.2
381.22675	5.3
393.27582	2.1
435.32468	3.4
479.02032	2.5
565.38367	5.8
583.39734	7.1
605.42352	4.2
611.39038	2.5
621.40820	6.0
623.42743	7.6
636.22095	2.2
639.42664	35.7
657.43976	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05509	1.2
57.03444	0.3
67.05519	2.9
69.07075	1.4
69.71975	0.7
69.72395	1.0
79.05513	1.7
81.03427	0.8
81.07064	3.2
82.78764	0.3
83.04988	0.9
83.08618	0.5
91.05490	2.6
93.07056	2.1
95.04971	0.9
95.08622	1.5
97.06564	0.5
97.10183	0.4
98.21512	0.4
105.07057	1.6
107.04966	0.5
107.08608	1.5
109.06504	0.7
109.10181	0.9
111.08114	0.5
117.07053	0.7
119.08570	1.9
120.90293	0.3
121.06554	0.3
121.10184	0.5
123.08099	0.4
123.11757	0.3
125.09632	0.5
131.08585	1.1
133.10135	1.2
135.08073	0.5
135.11688	0.4
137.09645	0.4
143.08575	0.7
145.10147	0.9
147.08080	0.4
147.11713	0.8
149.09631	0.5
155.08650	0.3
157.10130	0.5
157.72957	0.3
159.11784	0.6
161.09529	0.4
161.13344	0.3
163.11195	0.3
177.12779	0.4
189.11325	0.3
203.14439	0.3
207.73582	0.3
273.18552	0.6
275.20010	1.5
291.19638	1.5
310.06659	0.3
331.18878	1.8
338.13315	0.3
347.18390	0.6
349.19687	1.2
349.23859	0.5
365.23227	0.4
559.36676	0.7
587.31891	0.5
621.38470	0.3
639.41864	0.9
657.39771	100.0
658.40222	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	657.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01871	9.2
55.05513	30.6
57.03428	14.3
59.10207	2.9
66.59591	2.8
67.05515	39.8
69.03433	16.7
69.07062	11.3
71.04980	10.6
71.34563	5.3
73.02914	3.6
77.03912	4.3
79.05499	31.3
81.03426	100.0
81.07065	45.0
82.07407	3.3
83.04982	53.9
83.08627	25.3
85.02921	27.4
91.05484	44.1
93.07066	27.0
95.04974	32.1
95.08596	16.6
97.02884	21.3
97.06520	9.3
97.10167	9.4
99.04445	6.4
101.06033	3.3
103.05488	3.0
105.07033	26.8
106.07365	3.3
107.04954	12.5
107.08608	18.5
109.02867	11.1
109.06520	7.1
109.10141	10.3
111.04467	20.5
111.08087	16.6
117.07014	8.0
119.08586	21.3
121.06544	4.8
121.10133	13.8
123.08081	5.2
123.11711	6.1
127.03922	11.9
129.05513	20.4
129.07002	14.2
131.08556	14.4
133.06514	4.1
133.10150	13.6
137.06009	4.5
142.07718	3.6
145.10092	6.8
147.08096	4.7
147.11684	17.0
149.09642	9.2
151.07587	3.8
153.12700	4.0
155.08568	3.9
157.10141	23.1
163.03911	6.2
163.11159	9.3
165.12718	8.4
173.04485	4.4
173.05946	3.3
175.11183	18.8
181.12158	4.9
191.10687	5.1
193.12250	55.6
194.12564	4.6
209.11717	8.4
211.13316	92.2
212.13629	4.0
213.05426	3.7
227.12810	11.3
235.13295	3.5
249.14894	4.3
267.15997	19.3
283.15482	6.0
284.67349	3.5
285.17026	28.3
351.91644	3.0
355.17621	6.3
385.24109	4.3
429.21677	3.6
433.25717	3.2
441.25800	3.3
451.27069	3.6
459.27158	9.3
477.28519	21.3
495.29578	21.4
639.32666	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	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01868	21.6
55.05512	36.0
57.03439	32.7
57.07074	8.0
59.04992	2.7
61.02951	3.7
62.32711	2.0
65.03925	4.6
67.05507	100.0
69.03434	39.0
69.07080	23.2
69.58701	13.3
71.01366	5.6
71.04992	15.3
73.02921	28.6
79.05495	56.2
81.03421	55.0
81.07059	79.7
83.04990	33.7
83.08187	3.1
83.08620	18.8
85.02915	30.9
85.06537	7.5
91.05489	38.0
93.07051	46.8
95.04959	21.7
95.08608	22.8
97.02886	26.3
97.06574	13.3
97.10181	8.6
99.04488	6.0
99.08068	3.8
101.02373	3.8
101.06065	2.6
105.07017	22.8
107.04955	20.5
107.08605	32.2
109.02893	8.3
109.06529	6.6
109.10160	45.6
109.10857	4.1
111.04449	11.4
111.08079	9.7
113.29512	2.5
115.03938	3.0
116.04705	9.5
117.07023	13.5
119.08592	13.9
121.06506	5.4
121.10143	15.0
123.08064	3.7
123.11717	3.7
125.05988	2.7
125.09641	8.3
126.87744	2.5
127.03940	6.0
129.05498	25.1
129.07024	6.6
131.03377	3.4
131.08615	14.7
133.06471	3.1
133.10149	15.1
135.04410	8.3
135.08078	3.8
135.11688	10.0
137.09688	3.4
138.14114	2.1
143.07022	7.5
145.04965	3.6
145.10126	5.3
147.08047	3.1
147.11696	13.2
149.09630	9.7
149.13284	19.9
151.11165	2.3
153.05487	7.5
155.10716	5.3
157.08617	13.5
157.09988	5.5
159.11694	13.6
163.03824	3.8
165.12720	4.2
171.06619	4.7
171.10220	4.0
171.11676	2.6
173.04439	3.5
173.11771	12.2
175.11218	5.4
177.12723	8.4
185.11771	4.0
189.11223	4.7
193.12225	9.8
195.13805	12.7
199.13283	3.4
209.11684	3.8
211.13315	6.2
217.07103	6.6
227.12798	7.5
229.14331	34.9
241.13475	5.5
255.15927	3.2
267.15939	6.4
269.17474	42.6
283.15384	2.8
285.17035	4.6
301.16449	10.9
306.81805	2.4
319.15509	2.9
368.52377	2.8
393.25894	3.1
413.21890	4.9
423.27466	77.3
424.27545	3.0
459.27631	3.6
477.28583	4.5
495.29321	8.6
639.33936	5.1
657.33862	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	656.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08507	3.4
53.03947	5.1
55.01867	10.7
55.05517	37.0
57.03434	7.7
67.05508	47.3
69.03433	7.1
69.07082	6.3
69.33315	22.7
69.44707	2.6
71.04986	4.8
71.29774	2.6
77.37484	2.6
79.05502	40.2
81.03427	25.8
81.07064	40.8
81.61114	3.6
82.03764	4.2
82.07401	5.5
83.04986	16.6
83.08617	18.7
85.02924	6.9
85.06548	3.7
89.03922	3.8
91.05498	48.4
92.05809	4.8
93.07062	32.1
94.07381	4.6
95.04961	14.8
95.08643	17.0
97.02888	8.1
97.06567	5.8
97.10175	28.3
98.21542	5.2
99.04395	3.6
103.05481	8.1
105.07039	30.3
106.07362	4.5
107.04933	4.7
107.08611	17.5
109.06534	6.8
109.10147	13.5
111.04439	5.4
111.08064	4.9
115.05449	7.5
117.07029	34.8
119.08583	18.4
119.63105	3.2
120.08936	4.0
121.06508	3.3
121.10166	9.7
123.08057	4.9
125.09650	20.2
129.05476	4.1
129.07005	11.6
131.08585	25.7
133.06503	5.5
133.10127	7.6
135.04387	5.1
135.08040	7.4
135.11736	5.5
141.06992	10.6
143.08583	8.7
145.06544	7.6
145.10112	9.0
147.11699	7.1
149.09642	6.8
152.65193	3.3
155.08577	8.6
157.06535	5.4
157.10149	7.0
159.08020	4.0
159.11687	5.9
163.03868	17.0
163.11179	8.0
164.04195	5.6
167.08556	4.8
169.10196	5.1
171.11684	4.6
173.09642	4.2
175.11237	5.4
177.12704	4.0
179.08507	3.3
185.13307	3.4
187.03923	6.7
187.14838	6.0
189.11215	6.0
193.12245	6.6
197.13303	6.7
213.05466	7.2
215.14351	30.0
227.12796	19.4
230.96362	2.9
233.15463	4.1
248.00858	3.2
268.16470	4.6
283.15482	5.8
321.21915	3.7
324.90079	3.1
337.14383	5.6
338.14655	6.9
339.23325	4.8
349.21667	6.0
356.16052	3.9
367.22733	14.0
385.23752	6.9
396.29703	3.1
412.54236	3.2
429.18805	5.1
430.19345	6.9
441.26428	58.6
457.24942	2.8
459.27481	100.0
462.29492	5.6
477.28510	23.1
656.31342	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	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.2
53.03938	9.8
55.01862	6.3
55.05513	23.9
57.03437	12.0
58.64179	2.1
64.29291	2.1
65.03953	2.1
66.33026	1.8
67.05505	62.9
69.03435	13.9
69.07067	12.4
70.64116	2.6
70.64444	4.5
70.91985	2.0
71.05003	36.3
71.78487	2.1
74.39686	2.0
75.60070	2.0
79.05071	3.5
79.05497	47.3
81.03421	100.0
81.06599	3.9
81.07059	77.1
82.70423	2.5
83.04981	23.2
83.08626	20.1
85.02908	20.2
85.06522	9.6
89.03911	3.0
91.05487	58.5
93.07048	35.6
94.03587	1.9
95.04977	27.7
95.08615	18.0
97.02884	14.7
97.06522	8.6
97.10155	9.2
99.04456	6.4
102.26398	2.2
105.07039	37.4
107.04959	13.1
107.08598	20.3
109.02885	18.2
109.06505	6.0
109.10147	7.7
111.04456	12.5
111.08064	13.0
115.05437	2.5
117.03400	2.8
117.07005	7.6
119.08595	19.0
121.06519	3.3
121.10144	13.3
123.08059	6.9
123.11708	9.2
125.09635	4.0
127.03920	9.1
128.04335	2.6
128.06252	2.5
129.07005	9.1
131.08554	17.0
131.35910	2.2
133.02817	2.7
133.06480	2.4
133.10120	24.0
134.43637	2.1
135.04431	5.9
135.08014	4.0
135.11684	6.6
143.08577	3.9
145.02852	3.0
145.06523	3.4
145.10127	6.1
147.04388	2.4
147.08028	4.8
147.11713	17.6
149.05879	2.9
149.09637	5.4
149.13196	6.1
151.11177	5.5
157.10144	10.6
158.05759	1.9
159.04425	2.7
159.11736	6.2
163.03911	28.1
163.11237	10.9
165.12752	5.4
173.02350	3.4
173.04462	7.0
173.09593	5.0
175.11185	9.2
176.11980	3.6
177.12801	4.6
181.10144	2.3
181.12187	2.3
183.13890	3.7
187.03882	4.2
187.13315	7.4
191.10732	2.3
193.12238	31.9
195.13942	2.0
197.05864	2.4
199.03973	4.1
201.05365	2.4
201.14874	3.0
209.11760	5.6
211.13307	42.3
213.05495	5.6
225.05573	3.3
227.12801	7.5
256.95908	2.0
267.16055	12.0
269.17520	6.0
283.15414	12.2
285.16907	6.3
301.14380	4.9
337.14273	14.5
339.17899	6.6
355.15536	6.6
382.20612	2.2
395.20782	2.9
411.18317	6.1
417.26480	4.3
429.19147	18.4
435.27408	13.6
453.28445	10.7
455.62051	2.4
461.28949	15.9
467.29929	8.2
477.28772	2.7
479.30167	5.0
482.07037	2.2
511.32800	9.8
519.29425	3.1
569.31085	2.1
605.32446	3.0
623.34082	6.8
637.29858	2.6
655.29242	7.3
655.36694	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	655.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41607	1.3
53.03955	10.4
55.01874	15.9
55.05512	27.4
57.03443	16.6
57.07078	6.1
57.46864	1.3
59.05003	1.2
65.03938	4.8
67.05509	51.5
69.03434	29.9
69.07059	10.0
70.09087	5.7
71.01356	3.6
71.04990	10.0
73.02908	4.0
79.05499	43.7
79.05967	1.8
81.03423	100.0
81.07059	39.6
83.04984	23.9
83.08623	21.3
85.02905	24.2
85.06548	3.0
89.27264	1.4
91.05488	43.9
93.07045	28.7
95.04980	28.6
95.08623	18.6
97.02897	32.7
97.03831	1.5
97.06535	6.9
97.10170	7.7
98.07336	1.5
99.04472	6.8
99.08105	2.1
103.05437	1.7
105.04554	2.1
105.07037	28.1
107.04280	2.3
107.04955	16.4
107.08596	17.0
107.85253	1.7
109.02882	14.0
109.05898	1.3
109.06502	7.7
109.10166	14.7
111.04465	12.5
111.08081	8.1
113.02369	1.2
115.03950	3.0
115.05451	3.6
117.07043	6.6
119.08573	23.7
121.06508	4.5
121.10145	14.3
123.04456	3.1
123.08059	4.5
123.11690	3.5
125.06003	2.7
125.09647	11.2
127.03918	9.5
128.06183	2.1
129.05479	5.1
129.06995	11.9
131.04890	2.2
131.08572	16.3
133.06508	4.7
133.10156	10.6
135.04448	3.4
135.08093	4.3
135.11700	8.7
137.05992	4.3
137.09648	3.8
142.07751	2.8
143.03404	4.0
143.08560	1.8
145.06465	2.2
145.10141	6.7
147.08054	4.3
147.11684	17.5
149.05963	2.2
149.09654	10.5
153.05511	2.4
153.09084	1.6
153.12724	4.1
155.08568	2.6
155.10591	1.8
157.10123	13.5
161.05972	2.9
161.09631	2.2
163.03944	2.2
163.11211	10.2
165.12767	5.3
171.06537	2.3
171.10233	1.4
173.04485	4.8
173.05992	2.1
173.09569	2.8
175.11195	12.1
181.12312	4.8
184.07333	2.8
185.07758	1.2
189.11267	4.0
191.10812	6.7
193.12244	35.3
199.03842	1.9
199.05989	2.5
199.09433	1.4
199.13336	2.0
209.11736	11.1
211.13307	40.4
217.04962	2.6
223.13242	3.5
227.12743	12.4
229.14339	4.7
235.13246	2.4
243.13811	1.6
247.13292	2.4
249.14999	1.3
267.13623	1.9
267.15970	12.8
273.15048	1.9
283.15488	7.1
285.17108	7.7
289.14325	1.6
301.16589	3.2
319.15421	1.5
337.16766	2.0
353.15781	1.6
355.16916	2.7
402.51993	1.5
411.19891	2.8
421.26050	3.5
427.18933	1.5
429.19196	4.8
439.26926	5.0
457.25739	1.6
475.26935	5.4
483.22641	1.4
493.27917	6.0
511.28705	2.5
637.32098	6.9
655.32898	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83151	1.7
53.03945	13.0
55.01880	12.6
55.05514	28.9
57.03436	15.2
57.07080	2.0
57.47424	1.7
57.76923	1.6
65.03943	3.5
67.05506	39.6
69.03432	23.0
69.07075	10.7
71.01366	2.1
71.04995	11.7
73.02927	3.3
79.05501	40.6
81.03421	100.0
81.07062	41.5
82.03732	1.8
83.01349	2.6
83.04985	52.5
83.08620	23.5
85.02910	17.3
85.06556	3.1
87.98553	1.6
91.05483	37.8
93.07043	37.6
93.07623	1.7
95.04972	22.1
95.08619	15.4
97.02905	16.4
97.06515	8.5
97.10162	7.0
98.20693	2.4
99.04443	8.0
99.08086	2.0
101.02446	2.0
105.07036	26.6
107.04962	14.1
107.08598	16.8
109.02889	19.0
109.06515	5.0
109.10162	11.1
111.04453	28.4
111.08083	13.4
113.06060	1.9
115.05457	3.8
117.07006	9.7
119.08582	19.2
121.06511	4.7
121.10170	14.4
123.04427	2.1
123.08076	4.9
123.11748	1.8
125.09647	6.4
127.03931	16.8
129.05489	10.5
129.06995	9.8
131.08601	13.5
133.06531	3.2
133.10144	10.1
135.08070	3.7
135.11687	13.7
137.05945	3.2
137.09618	2.5
142.07765	3.2
145.10098	11.9
147.04480	2.3
147.08055	3.3
147.11708	12.8
149.09642	6.2
153.12730	11.1
155.08603	2.7
156.27863	1.8
157.06499	1.6
157.10098	10.0
159.04456	2.5
159.07935	2.0
161.02293	1.8
163.03938	9.4
163.11171	22.0
165.12682	3.1
171.10019	1.8
173.02371	3.5
173.04575	3.9
173.06020	3.5
173.09666	5.6
175.11198	9.2
181.12254	14.6
183.06483	1.9
185.06111	1.6
187.03938	5.2
191.10687	15.4
192.10979	1.9
193.10670	1.2
193.12256	32.5
193.13901	3.1
199.03957	3.2
209.11710	13.5
211.13283	56.1
213.05548	4.0
217.84367	1.6
223.19717	1.7
227.12791	29.4
229.05052	2.0
229.14397	5.4
249.14958	2.0
267.13589	3.3
267.16043	7.2
273.15179	2.0
283.15445	27.2
284.15735	2.1
285.17023	13.3
311.12671	2.4
337.14368	2.4
353.16031	4.5
355.15421	6.1
393.19171	2.2
411.19458	2.2
427.19681	5.6
429.19415	7.4
475.26923	6.3
482.18253	2.0
493.27948	22.1
511.29056	3.7
637.31842	10.1
655.32129	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
52.33137	0.8
52.51564	0.9
53.03754	0.9
53.03949	9.6
54.40727	0.8
55.01872	11.8
55.05514	28.0
57.03194	1.3
57.03440	15.5
57.07076	5.4
58.79852	1.0
59.04998	2.8
65.03935	4.4
67.05509	50.4
69.03437	35.1
69.07072	10.1
70.94588	2.0
70.94946	1.7
71.01348	2.8
71.04993	7.8
71.91417	0.9
73.02924	6.4
73.42661	1.0
79.05497	43.8
81.03423	100.0
81.06598	2.3
81.07060	39.7
83.01342	2.4
83.04495	1.5
83.04988	23.1
83.08625	20.3
85.02911	25.0
85.06541	3.1
91.05489	44.3
93.07048	30.2
95.04379	2.2
95.04969	32.3
95.08611	12.5
97.02303	1.8
97.02895	26.7
97.06533	7.7
97.10176	12.1
98.07286	1.5
99.04475	6.3
99.08083	2.0
101.02331	1.4
103.03940	1.2
103.05482	1.6
103.19593	1.0
105.03342	1.1
105.04523	2.1
105.07038	25.5
107.04964	18.4
107.08601	14.9
109.02898	14.9
109.06522	6.0
109.10164	23.2
111.04456	13.3
111.08087	12.3
113.06001	1.3
115.03932	2.2
115.05450	2.8
117.07059	6.0
119.04934	2.3
119.07812	1.6
119.08591	19.6
121.06503	4.0
121.10161	11.9
123.04440	6.6
123.08044	4.2
123.11720	1.9
125.05994	1.6
125.09644	11.0
127.03918	9.0
127.11196	1.3
128.06216	1.3
129.05466	3.5
129.07016	13.3
131.03387	1.3
131.08582	16.3
133.06505	4.3
133.10149	13.5
135.04442	5.7
135.08067	3.2
135.11688	4.5
137.05988	2.5
137.09615	3.1
139.03906	1.4
139.11119	2.1
141.07005	2.8
142.07755	2.0
143.03360	1.2
143.08569	2.3
145.04883	1.0
145.06477	2.7
145.10135	8.8
147.04401	1.7
147.08026	4.2
147.11699	14.9
149.06055	1.4
149.09608	6.5
151.07443	1.1
151.11195	1.0
153.05466	3.4
153.09108	1.8
153.12749	4.1
155.08549	2.3
155.10719	1.9
157.10143	11.3
159.04419	2.4
159.11662	2.4
161.09605	1.7
163.03970	5.0
163.11194	10.1
165.12730	4.2
171.06538	2.1
171.10156	1.9
173.02289	1.3
173.04510	9.2
173.05898	2.2
173.09625	3.4
173.11708	4.2
175.11195	13.3
181.04965	2.4
181.12276	5.0
183.06537	1.8
183.08015	1.4
187.03922	1.2
187.11090	1.8
189.11212	4.1
191.10699	6.1
193.12253	38.5
199.03987	2.9
199.06026	4.1
199.13171	1.4
201.05473	1.4
207.13754	1.1
209.11716	12.7
211.13300	38.7
213.05426	1.5
217.04964	1.3
217.07008	1.2
223.13304	2.5
227.12788	11.1
229.14372	14.9
235.13181	1.2
247.13307	1.4
249.14838	1.4
253.14502	1.3
255.16028	1.3
267.15988	16.0
273.14905	1.8
283.15448	8.4
285.17072	9.1
289.14316	2.0
301.16751	2.5
311.12732	1.4
337.16443	1.3
353.16028	1.8
355.15381	2.3
383.22064	1.1
409.18680	1.7
409.25604	2.0
421.25842	9.5
427.19443	3.1
429.19217	3.5
439.26883	12.8
447.26871	1.5
457.25888	1.1
475.26663	6.0
493.27866	8.7
519.08380	1.3
583.30438	2.3
619.30902	1.8
637.32031	7.6
655.32977	14.2
656.31836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	12.8
55.01880	14.0
55.05515	27.8
57.03440	16.8
57.07066	2.1
59.05006	2.2
65.03940	5.3
67.05509	67.3
68.05847	1.3
69.03434	33.3
69.07069	12.4
70.15697	6.8
71.01360	2.3
71.05001	10.0
73.02924	11.0
73.37308	1.6
77.03918	1.6
79.05497	50.8
80.05788	1.3
81.03424	100.0
81.07059	45.9
83.01344	2.5
83.04980	27.6
83.08621	21.1
85.02444	1.9
85.02914	26.9
85.06535	2.6
91.05485	54.3
93.07051	35.8
95.04382	2.2
95.04968	34.1
95.08611	18.5
97.02906	24.2
97.06522	8.2
97.10185	10.3
99.04470	9.3
101.02362	2.8
103.05497	2.1
105.04494	2.5
105.07040	27.9
107.04971	19.7
107.08604	21.3
109.02885	16.6
109.06503	10.6
109.10168	29.2
111.04462	13.1
111.08104	11.5
113.06009	1.6
115.03974	3.0
115.05418	3.6
117.07043	10.1
119.08591	22.4
121.06502	5.2
121.10134	13.6
123.04415	6.8
123.08073	7.0
123.11680	2.7
124.46452	1.7
125.06047	2.4
125.09662	7.8
127.03922	13.4
128.06227	2.3
129.05505	3.1
129.07007	10.9
130.17601	1.7
131.04942	1.8
131.08580	13.5
133.02829	1.7
133.06493	4.6
133.10147	15.1
133.53505	1.4
135.04414	9.0
135.08099	4.1
135.11684	6.9
137.05867	1.7
137.09622	4.7
141.16420	1.4
145.02843	2.3
145.06497	2.9
145.10130	12.5
147.04405	3.6
147.08086	4.5
147.11719	19.0
149.06012	2.3
149.09645	8.7
149.13248	1.9
153.05498	3.1
153.07025	1.9
153.12820	3.3
155.10645	2.4
157.06476	3.7
157.10143	13.9
159.04419	3.3
159.11636	1.7
161.02390	3.7
161.05913	1.6
163.03914	20.0
163.11241	10.4
165.05527	1.9
165.12743	3.8
171.08031	2.0
173.02332	6.5
173.04460	8.9
173.05922	3.2
173.09648	2.2
173.11755	6.1
175.11226	12.4
181.12244	4.2
185.06012	2.5
187.03914	9.3
189.11183	3.7
191.10706	5.3
193.12271	27.7
199.03893	5.1
199.06021	5.1
199.07654	1.9
201.05652	1.9
209.11754	12.1
211.13292	31.2
213.05437	7.5
217.04958	2.3
225.05524	2.0
227.12770	11.6
229.14348	17.0
249.14912	2.2
265.14532	2.0
267.13669	6.2
267.16116	16.6
283.15555	14.1
285.17050	9.9
293.11853	2.2
311.12808	5.2
337.14429	6.8
353.15915	3.3
355.15317	15.9
383.22302	1.6
393.18839	1.9
393.62094	1.6
401.23419	2.3
409.18558	2.7
411.18317	2.5
421.25839	14.8
427.19702	2.8
427.26740	1.9
429.19019	17.5
439.26852	13.8
475.26779	5.7
493.28180	9.8
511.28470	1.8
619.29816	2.0
637.31256	11.3
655.31848	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.03437	0.4
57.07059	0.4
67.05513	1.7
69.03442	0.5
69.07069	0.4
71.49370	0.5
71.49746	0.4
76.95905	0.3
79.05490	1.9
81.03402	0.5
81.07063	1.9
83.04974	0.6
83.08603	0.4
83.20036	0.3
83.53689	0.4
91.05489	1.6
93.07040	0.9
95.04980	0.7
95.08601	0.9
97.10195	0.4
105.07027	0.9
107.04928	0.3
107.08588	0.9
117.07021	0.5
119.08607	0.8
121.10142	0.5
131.08572	0.4
133.10152	0.7
145.10231	0.4
265.39182	0.3
291.19650	0.7
377.17828	0.5
391.19183	1.0
393.20697	0.4
405.17142	1.2
405.21503	0.6
406.17389	0.6
406.22122	0.6
407.22372	4.2
408.23117	0.4
418.18002	0.8
419.18024	2.7
420.19537	1.5
421.20319	2.0
428.17026	0.3
433.20529	4.9
433.24606	0.3
434.21246	4.1
435.21930	7.6
436.22375	0.8
446.21017	0.6
447.17371	0.8
447.21960	1.8
448.18137	0.6
448.23279	0.8
449.19391	1.8
461.18887	2.0
462.20346	4.5
462.25610	0.4
463.21243	4.3
475.21442	1.3
476.22055	1.0
477.22714	2.1
478.23456	0.4
479.20370	0.8
489.22812	1.2
490.23950	0.9
493.21948	0.9
493.27042	0.4
494.22925	0.4
495.24081	1.4
507.20477	0.6
507.22971	0.6
508.24695	1.8
509.25558	1.9
517.21796	0.5
521.25781	11.5
522.25562	0.6
535.28278	0.6
549.24994	19.3
550.25464	0.8
553.24719	1.2
557.38605	0.6
563.26849	2.8
564.26886	0.7
565.25592	0.5
567.25336	0.7
577.24347	0.4
580.25153	0.3
581.27539	3.0
595.29236	9.4
596.29895	0.5
607.29358	0.4
609.27087	10.7
610.27942	0.5
623.28418	1.4
655.31219	100.0
656.31500	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	653.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.0
55.01875	14.4
55.05273	2.6
55.05512	36.9
57.03424	9.6
57.07055	2.5
65.03930	6.0
67.05504	78.5
68.47576	2.2
69.03430	24.8
69.07070	17.6
69.73674	5.0
69.74088	6.5
71.01351	3.7
71.04993	63.4
79.05074	3.7
79.05489	52.4
81.02929	3.8
81.03419	90.5
81.07054	100.0
83.01337	5.9
83.04575	2.5
83.04988	29.4
83.08620	18.4
85.02888	16.2
85.06544	9.9
87.04438	2.8
91.05480	69.4
93.07043	60.8
93.07635	3.3
95.04962	21.7
95.08616	23.1
97.02883	20.7
97.06532	16.0
97.10134	6.0
99.04451	10.1
99.08036	2.3
105.07034	42.3
107.04958	16.9
107.08600	33.9
107.21543	2.1
109.02885	27.3
109.06526	14.3
109.10143	12.1
111.04430	14.1
111.08065	5.2
117.06998	19.6
119.08588	19.0
119.52000	1.9
121.06479	5.7
121.10170	17.1
123.04421	4.2
123.08047	9.5
123.11704	10.0
125.05958	2.7
125.09634	4.0
127.03904	12.7
129.05463	2.8
129.06992	8.4
131.04825	2.4
131.08545	14.8
133.06496	4.0
133.10104	24.7
135.04437	2.6
135.07983	4.9
135.11696	20.4
137.05971	5.8
141.07004	3.0
144.09280	2.4
145.06534	4.1
145.10141	17.3
147.08070	3.5
147.11674	11.1
149.09630	2.6
149.13249	10.6
151.11156	10.3
153.12769	10.9
155.08580	3.2
157.10144	3.7
159.11691	12.5
163.11183	27.5
165.12733	3.4
165.65630	2.2
171.06551	3.1
171.11584	3.7
173.04456	15.3
173.09561	4.4
173.13405	2.5
175.11205	4.0
177.12712	6.2
179.14349	2.4
181.12219	9.4
183.13823	12.6
187.13326	22.0
189.11131	2.7
191.10660	5.3
191.97589	2.1
193.12238	6.5
195.13799	9.6
201.14859	6.0
209.11697	12.8
211.13257	3.7
213.14954	3.2
227.12814	18.6
235.13199	2.6
241.14290	3.1
267.15891	5.2
269.17596	2.6
277.14481	2.4
281.17346	3.0
283.15445	8.7
297.16989	5.5
321.16989	3.2
339.18051	9.8
353.15970	4.7
391.17514	2.5
395.20465	5.4
435.27469	7.5
449.29257	3.9
451.26871	19.6
459.27042	3.0
465.28659	11.5
467.29822	4.2
473.28772	2.5
491.29828	2.6
509.30875	9.0
621.32501	16.3
635.33307	2.8
653.35602	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3537
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03947	12.9
55.01866	7.7
55.05518	25.7
57.03432	14.9
65.67137	3.2
67.05517	51.5
69.03433	19.1
69.07066	11.2
69.91573	11.4
69.91969	7.6
69.93909	3.2
71.04991	10.8
79.05074	5.7
79.05501	73.3
81.03426	100.0
81.06599	4.2
81.07063	55.2
83.04987	35.0
83.08627	25.4
85.02927	19.6
85.06555	5.0
91.05490	73.8
93.07053	61.3
93.96831	3.7
95.04985	38.9
95.08615	25.7
97.02888	16.5
97.06522	7.0
97.10207	6.3
99.08084	3.8
105.04545	3.5
105.07046	42.2
106.89915	3.5
107.04970	10.0
107.08604	20.6
109.02887	11.2
109.06513	10.1
109.10155	6.7
111.04437	8.8
111.08103	5.9
111.26920	3.7
115.05439	5.9
117.07016	13.3
119.08588	32.2
121.06449	5.9
121.10149	16.0
123.08086	4.2
123.11754	3.9
125.09637	4.6
127.03908	15.1
128.06261	4.4
129.06984	25.4
131.08565	14.1
133.06482	6.4
133.10181	17.2
135.11713	5.2
143.08571	9.6
145.10153	13.8
147.08095	4.3
147.11682	34.3
149.09572	7.1
150.55710	3.3
157.10185	15.0
161.13272	10.0
163.11186	6.2
171.11703	20.0
175.11172	11.2
187.58051	3.5
189.12737	6.6
193.12267	35.4
207.13786	22.0
211.13312	43.1
227.12839	7.5
229.14287	4.6
230.39795	3.7
267.15991	30.2
281.17517	48.5
283.15591	4.2
285.16992	15.8
287.16431	5.1
355.17319	5.5
392.35916	4.4
396.71817	5.0
411.20038	4.1
429.21573	17.0
473.22495	4.1
473.29034	68.2
491.30075	18.4
508.60254	3.6
635.34406	43.1
653.35846	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	653.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
53.03949	14.1
55.01872	16.5
55.05517	14.6
57.03444	8.2
58.62268	1.7
59.05010	2.7
60.24900	1.3
65.03944	2.3
66.92593	1.4
67.05505	27.4
69.03426	15.3
69.07071	5.7
71.01356	1.9
71.05000	10.7
71.22394	3.4
74.85083	1.4
79.05497	27.8
81.03423	100.0
81.07063	25.8
83.01351	5.0
83.04984	30.8
83.08632	13.2
85.02918	9.0
85.06559	2.0
87.04477	1.7
90.70790	1.6
91.05481	21.0
92.53154	1.4
93.07044	36.5
95.04980	8.9
95.08611	12.7
97.02898	27.5
97.06519	7.8
97.10179	6.6
99.04459	12.4
103.05474	2.4
105.07043	12.4
107.04951	11.4
107.08601	18.9
109.02885	33.2
109.06538	4.9
109.10158	10.1
109.10831	1.4
111.04447	29.9
111.05202	1.6
111.08097	10.6
115.03989	1.5
115.05463	1.7
117.07029	8.8
119.04863	1.6
119.08604	11.5
121.06516	4.9
121.10132	8.5
123.08071	5.0
125.09638	5.2
127.03907	20.8
128.06306	1.5
129.06984	3.9
131.08604	6.9
133.10144	4.3
135.08092	2.1
135.11687	19.5
137.05928	2.1
141.85770	1.5
143.08566	1.9
145.10150	17.9
147.04468	2.6
147.08034	2.0
147.11702	5.0
149.09595	4.3
152.46150	1.5
153.12764	22.6
155.08565	3.4
163.11186	32.3
165.05482	1.9
173.09647	7.3
181.12244	24.5
189.11246	4.2
191.10701	23.0
193.12248	2.3
209.11732	16.4
227.12785	48.7
283.15405	51.1
301.16470	3.9
311.15002	3.4
353.16058	12.8
353.20035	2.3
362.75903	1.6
379.06534	1.9
391.17682	2.5
409.18591	1.7
427.19699	11.3
429.19128	1.9
485.48370	1.5
491.26239	10.3
495.74399	1.6
509.27316	8.7
635.30322	12.9
653.31732	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	653.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
52.22636	1.4
53.03956	11.9
55.01875	22.0
55.05512	39.4
57.03203	1.5
57.03443	18.1
57.07069	6.8
57.62490	1.5
59.05000	2.2
65.03943	4.4
67.05507	54.9
68.05830	1.5
69.03086	2.7
69.03434	34.6
69.07075	10.9
70.02351	3.6
71.01350	4.7
71.05002	13.2
71.36427	1.5
73.02916	4.4
79.05495	56.9
81.03423	100.0
81.06599	2.4
81.07063	43.8
82.04187	2.6
83.01330	6.1
83.04980	31.0
83.08626	19.2
85.02907	22.0
85.06525	2.8
91.05487	43.5
93.06480	2.8
93.07048	40.0
95.04977	28.8
95.08619	21.5
97.02301	2.9
97.02892	38.6
97.06535	9.8
97.10181	13.6
99.04440	10.1
101.02314	2.6
103.05457	3.1
105.07030	27.2
107.04958	23.7
107.08601	23.8
109.02889	25.4
109.06519	11.9
109.10161	16.9
111.04449	17.8
111.08094	6.7
115.03967	2.0
115.05455	3.5
117.07030	15.7
119.04945	1.8
119.08569	22.2
121.06496	9.0
121.10144	13.7
123.04465	7.0
123.08047	10.1
123.11688	1.9
123.42998	1.4
125.05993	3.8
125.09642	16.3
127.03934	16.0
127.11184	2.2
128.06186	2.8
129.07018	9.5
130.07838	2.9
131.04918	2.2
131.08572	12.5
133.06500	3.5
133.10126	10.7
135.04417	5.9
135.08075	5.4
135.11696	16.7
137.05978	2.8
137.09604	4.0
142.07782	1.8
143.08533	3.7
143.10677	2.2
145.06491	3.0
145.10126	17.1
147.04414	3.1
147.08105	7.3
147.11653	10.5
149.05948	2.3
149.09624	4.8
151.03981	2.8
151.11259	2.1
153.05493	2.9
153.09157	1.6
153.12711	10.1
155.08594	3.6
155.10646	1.9
157.10126	6.2
158.05679	1.6
161.09584	3.0
163.03813	1.8
163.11177	27.0
165.05292	2.2
165.12709	2.7
171.06606	2.2
171.11629	2.2
173.04465	8.2
173.09622	5.4
175.11194	6.5
181.12221	10.6
183.06470	2.0
187.11169	1.8
189.11255	5.3
191.10689	11.8
193.12212	14.6
199.06023	6.1
199.11246	1.8
199.13245	2.5
207.13885	3.5
209.11739	16.3
211.13304	13.0
221.69374	1.8
227.12817	20.1
229.14354	3.0
255.15903	1.9
267.15915	5.4
271.13461	2.0
281.17514	5.3
283.15436	19.2
289.14508	3.0
353.15994	8.7
407.24240	2.1
427.19720	4.2
437.25409	6.1
473.28940	6.0
478.76355	2.2
491.25610	3.1
509.27194	2.4
581.30096	1.9
635.31909	5.7
636.30884	1.5
640.80951	1.5
653.31586	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	653.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81939	0.2
55.05478	0.3
56.04996	0.4
58.06569	0.4
58.10912	0.2
67.05455	0.6
68.04996	0.5
69.03410	0.4
70.06554	0.6
70.61433	0.5
78.21223	0.2
79.05500	1.3
81.03371	0.4
81.05775	0.3
81.07005	0.8
82.06551	0.3
82.45869	0.2
83.75858	0.2
84.08141	0.3
85.02895	0.3
87.34018	0.2
91.05444	1.0
93.07032	1.6
94.06520	0.7
95.04995	1.3
95.08549	0.4
96.08128	2.1
97.02837	0.3
105.06986	0.9
106.06506	0.4
106.49226	0.3
107.04922	0.4
107.07294	0.4
107.08545	0.7
108.08114	1.8
109.02850	0.3
110.09679	2.0
115.05405	0.3
117.05727	0.3
117.06973	1.0
118.06553	0.3
119.07294	0.3
119.08559	0.7
120.08054	0.3
121.06470	0.3
121.08851	0.3
121.10152	1.1
122.09673	4.4
124.11201	1.0
125.02383	1.7
129.06989	0.6
130.06537	1.8
131.04922	0.3
132.08038	0.9
133.08875	0.5
134.09666	1.6
136.11217	5.0
137.05896	0.3
143.07254	0.8
143.08522	1.0
144.08086	20.1
148.11209	4.9
149.06006	0.3
151.03862	0.9
153.07045	0.4
154.06487	0.5
154.12177	0.3
155.06099	0.4
155.07285	1.8
156.08098	1.3
158.09618	0.9
159.09167	1.8
164.10625	0.3
166.12337	0.3
167.07167	0.5
168.08081	2.3
169.07578	0.4
170.09656	18.1
171.09087	1.3
172.11195	0.5
173.05988	0.3
177.05365	0.2
180.08041	0.9
181.08833	0.4
182.09647	0.8
184.11211	0.5
193.08713	0.2
194.09724	1.1
195.10605	0.2
196.11232	0.5
197.10759	1.7
206.09555	0.6
207.10400	0.8
208.11191	1.0
210.12730	0.3
218.09573	0.4
219.10339	0.4
220.11172	0.5
221.11906	0.7
222.12874	1.3
224.14343	1.3
232.11128	0.4
233.11957	0.4
234.12788	0.3
235.11983	0.5
236.14407	1.6
247.13686	0.3
248.14328	0.6
249.13869	1.1
250.16225	1.2
251.15475	1.6
260.12762	0.5
262.15842	0.6
264.16251	0.4
268.23828	0.2
277.16852	0.4
278.13742	0.8
279.18564	100.0
280.18860	2.3
297.19638	0.6
403.20227	0.7
421.21201	4.4
488.93842	0.2
491.25668	0.8
552.32556	0.2
653.30725	26.8
654.30914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18233	0.2
54.36318	0.2
55.05487	0.3
56.05009	0.3
60.39686	0.2
67.05475	0.9
68.05012	0.3
69.07060	0.3
69.36400	1.0
69.36824	0.9
70.06551	0.8
77.57738	0.2
79.05502	1.7
80.04996	0.4
81.03414	0.5
81.07034	0.7
82.06547	0.3
85.02857	0.3
91.05493	1.5
93.07067	1.4
94.06552	0.5
95.04971	1.2
95.08582	0.3
96.08131	2.2
97.02853	0.7
103.05428	0.4
104.83143	0.2
105.07011	0.4
107.04939	0.5
107.07318	0.3
107.08586	1.2
108.08104	2.2
109.02857	0.4
110.09689	2.3
115.05417	0.3
117.06985	1.0
118.06525	0.4
119.08555	1.0
120.08093	0.8
121.10139	1.1
122.08894	0.3
122.09681	4.9
124.11206	0.9
125.02348	2.1
128.06224	0.5
129.06998	1.1
130.06549	2.2
131.07349	0.3
132.08049	0.8
133.08810	0.3
134.09637	2.1
136.10280	0.4
136.11241	5.1
143.07298	0.9
143.08545	1.0
144.08095	19.7
145.08344	0.3
146.09584	0.4
148.11217	5.2
149.05922	0.3
150.12836	0.3
151.03870	1.0
153.06973	0.4
154.06502	0.6
155.07285	1.5
156.08113	1.5
158.08470	0.3
158.09654	0.8
159.09190	2.3
164.10674	0.4
167.07275	0.4
168.08078	2.1
169.08894	0.3
170.09660	21.4
171.09059	1.1
172.11198	0.6
180.08105	0.7
181.08873	0.4
182.09615	0.8
184.11328	0.4
193.08934	0.3
194.09732	1.5
196.11223	0.6
197.10698	1.5
205.08833	0.3
206.09625	0.8
207.10463	0.6
208.11208	1.0
210.12796	0.3
219.10426	0.3
220.11241	0.7
221.12039	0.5
222.12874	1.3
224.14325	1.4
232.11198	0.4
233.12123	0.5
234.12788	0.4
235.12331	0.9
236.14461	1.9
248.14291	0.7
249.13936	1.0
250.16190	1.7
251.15421	1.9
260.12701	0.5
262.15967	0.8
264.16235	0.4
277.16992	0.3
278.13913	0.8
279.18582	100.0
280.18954	2.3
283.53528	0.2
297.19513	0.6
299.54297	0.3
403.20258	0.6
421.21207	3.8
473.24475	0.3
473.55276	0.3
491.25391	0.5
653.30713	30.7
654.30548	1.6
666.08337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.89558	0.6
55.05506	1.2
59.95185	0.7
67.05506	2.3
69.07075	1.8
69.51568	0.7
79.05491	1.5
81.07055	2.5
91.05486	1.1
93.07059	1.5
95.08617	1.4
105.07049	1.1
107.08612	0.8
109.06491	0.9
109.10159	1.4
119.08617	1.0
121.10140	0.8
123.08063	0.9
133.10153	1.3
158.94989	0.8
194.06645	0.6
275.20169	1.0
373.10608	0.8
375.11945	1.8
376.16968	1.0
377.17960	1.0
382.23462	0.8
389.17807	1.3
390.18570	1.6
391.19171	5.8
392.19827	1.5
404.20557	0.8
405.20901	10.3
406.21552	8.4
407.22214	0.9
419.22607	2.8
420.23087	6.8
421.23871	14.1
433.19568	5.6
434.24854	2.0
435.17987	1.6
436.19131	2.7
445.20422	2.7
447.21649	1.9
449.20145	1.2
450.20786	2.4
451.21616	1.7
452.22278	2.4
460.22595	2.6
461.23389	1.3
464.22351	1.3
465.22916	43.0
466.23099	0.9
473.19763	3.4
475.25409	1.1
478.23395	0.9
479.24484	10.1
480.25336	5.6
487.21667	2.0
488.22168	5.0
491.21054	2.4
492.21722	2.1
501.22855	1.7
503.24475	50.9
504.24945	2.6
505.22748	1.1
507.27899	4.6
508.77731	0.8
514.69513	0.9
533.25647	1.0
535.27112	43.9
536.27344	1.5
551.26520	5.8
561.24884	2.9
566.28979	1.9
579.26062	38.5
580.26331	2.6
593.27716	2.9
594.28430	22.2
595.28870	1.3
621.27167	24.7
622.26691	1.1
653.29749	100.0
654.30347	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	652.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01874	4.5
55.05520	26.0
55.77074	1.8
57.03453	2.7
65.03921	2.4
67.05512	38.1
69.03421	5.7
69.07067	15.5
71.04993	8.8
79.05503	30.8
81.03425	10.0
81.07067	40.2
83.04994	6.2
83.08624	19.3
91.05490	30.7
93.07056	37.1
94.74722	1.7
95.04980	19.6
95.08617	26.4
97.06548	10.0
97.10167	6.3
105.07043	31.5
107.04978	6.5
107.08633	18.8
109.06519	6.1
109.10163	10.0
111.08070	4.3
117.07047	12.0
119.08598	26.4
121.06546	6.4
121.10162	13.1
123.08083	5.1
123.11643	2.6
125.09654	6.8
129.07047	4.9
131.08578	14.8
133.10130	24.5
135.08052	5.2
135.11703	8.7
137.09624	7.4
143.08583	2.5
145.10123	17.4
147.11713	10.1
149.09662	18.2
149.13203	3.4
151.11227	4.9
155.08437	2.1
157.10144	5.3
159.11716	11.3
161.09663	4.1
161.13255	4.4
163.11209	19.6
165.12814	2.4
169.10168	5.0
171.11760	4.1
173.13231	5.9
175.11246	2.9
177.12732	3.3
183.11745	4.1
184.07387	2.1
189.11176	5.1
195.13808	4.3
197.13254	2.9
215.14355	2.0
215.17950	2.4
223.13374	11.3
229.19739	3.4
235.17035	2.3
239.17952	6.2
257.19049	16.2
275.20087	100.0
276.20465	2.1
293.21121	32.9
307.22665	6.2
308.59305	2.0
355.38593	2.1
469.33167	5.1
487.34250	2.4
540.85303	2.1
652.43109	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	652.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01871	4.3
55.05516	23.0
56.11029	1.3
57.03424	2.6
57.07074	3.1
62.19895	1.3
65.03932	2.1
67.05507	35.6
68.05837	1.9
69.03411	4.2
69.07062	13.1
70.43777	2.8
70.44173	3.2
71.04990	11.5
71.08648	1.9
75.67363	1.5
79.05494	26.4
81.03420	12.2
81.07061	36.5
81.09418	1.3
82.07371	1.5
83.04987	5.4
83.08624	21.2
85.02917	1.9
85.06513	1.6
91.05487	29.5
93.07051	28.7
93.07637	1.9
95.04974	21.6
95.08617	24.1
96.08938	1.8
97.02899	2.2
97.06541	8.4
97.10189	5.9
101.53854	1.8
105.07033	28.5
107.04958	10.5
107.08596	19.5
109.06535	5.7
109.10155	16.1
111.08087	5.2
117.07012	11.2
119.08594	24.4
121.06516	4.8
121.10145	13.3
123.08069	4.1
123.11730	1.9
124.99991	2.0
125.09624	7.6
128.06262	2.8
129.07021	4.8
131.08568	14.8
133.10118	20.8
135.08051	5.9
135.11682	6.1
137.09598	3.5
143.08601	4.2
145.10101	15.2
147.08060	2.3
147.11682	9.5
149.09628	20.8
149.13261	2.7
151.11185	4.4
155.08542	4.2
157.10153	5.8
159.11702	11.4
159.41347	1.8
161.09630	2.5
161.13304	4.2
163.11179	16.4
165.12729	3.6
169.10133	3.2
171.10262	1.6
171.11722	4.4
173.09668	1.9
173.11726	2.1
173.13255	4.5
175.11151	3.9
177.12791	5.1
183.11629	2.7
184.07347	7.1
187.11200	1.8
187.14883	1.5
189.11284	4.3
191.14369	1.5
195.13881	2.4
197.13295	4.7
201.12717	1.8
205.12143	2.1
212.35724	1.4
215.18033	1.6
223.13316	14.0
227.16295	2.4
229.19640	3.3
239.18022	8.7
249.14558	1.7
255.99641	1.5
257.19049	13.5
275.20068	100.0
276.20392	2.2
291.19537	2.7
293.21106	41.7
307.22626	5.6
438.95694	1.5
652.43713	5.0
653.08960	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90899	1.0
53.03938	3.7
55.01876	6.4
55.05275	1.6
55.05516	22.0
57.03420	2.3
59.04985	1.3
67.05505	20.3
69.03414	3.0
69.07070	8.1
69.14072	12.1
71.04979	3.1
79.05495	26.4
81.03422	6.0
81.07056	49.4
83.04981	6.1
83.08625	10.3
90.74152	1.2
91.05482	19.1
93.07043	16.4
95.04974	13.9
95.08602	10.2
97.02818	1.3
97.06519	3.0
97.10181	17.5
104.80492	1.1
105.07030	15.0
107.04951	9.1
107.08598	15.0
109.06499	7.1
109.10167	6.1
111.04441	8.8
111.08076	3.8
117.07030	11.0
119.07800	2.0
119.08585	19.2
121.06532	5.3
121.10159	8.9
123.08072	10.7
125.09625	11.1
128.06187	1.9
129.06989	4.2
131.08551	10.7
133.06482	3.7
133.10149	6.8
135.08084	5.5
135.11678	3.1
137.09627	2.7
143.08553	5.6
145.06422	1.5
145.10120	11.8
147.08044	12.1
147.11693	2.7
149.09624	5.7
149.13336	1.3
153.09114	2.1
153.12779	2.8
155.08528	1.8
157.10091	4.4
159.08070	2.2
159.11665	5.0
161.09592	6.5
163.11157	11.6
163.77388	1.1
165.09094	3.9
165.12775	1.1
169.10173	1.3
171.10237	1.5
171.11702	3.3
173.09644	2.5
173.13185	1.3
175.11171	3.2
177.12730	1.6
181.12216	5.1
184.40659	1.1
185.13203	1.8
187.11246	1.4
189.11229	12.4
189.12801	1.7
191.10640	6.2
193.10048	1.2
193.12239	2.4
195.11676	1.5
197.13225	1.9
209.11664	2.2
223.13281	6.6
227.12756	4.3
227.17886	2.5
245.19118	3.1
249.14798	3.8
249.18416	2.2
255.17406	4.0
263.20035	1.7
273.18506	35.0
291.19550	100.0
292.19791	1.6
309.20618	7.6
446.00800	1.1
481.37924	1.1
581.38049	2.4
599.39404	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	651.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.01852	1.3
55.05525	6.8
57.03436	1.0
57.07065	1.1
65.03944	1.2
67.05508	10.1
69.03429	2.6
69.07071	5.9
71.49459	1.8
72.00454	1.1
79.05499	10.0
81.03415	3.0
81.06647	1.7
81.07065	16.5
83.04984	5.8
83.08617	3.9
89.03908	9.8
91.05466	11.8
93.07053	15.5
95.04963	4.6
95.08606	26.1
97.06531	2.5
97.10141	1.2
103.05488	1.4
105.07030	21.8
107.04978	3.3
107.08602	23.8
109.06512	2.6
109.10166	15.0
111.04464	1.4
111.08076	2.7
117.03376	7.8
117.07024	4.7
119.04912	1.5
119.08582	28.5
121.06472	1.4
121.10149	17.2
123.08109	3.1
123.11715	4.5
125.09648	6.7
129.07011	2.5
131.08553	12.9
133.10136	20.1
135.04419	22.5
135.08040	2.0
135.11688	8.5
135.34686	1.2
137.09641	1.8
143.08534	6.0
144.09361	1.7
145.02850	14.7
145.10126	20.8
147.04440	7.0
147.11710	12.4
148.04842	1.2
149.09637	1.9
149.13257	6.1
151.07497	1.7
151.11198	2.3
157.10130	5.1
159.11697	19.2
161.13264	10.3
163.03908	100.0
163.11107	2.2
163.14827	5.2
167.08499	1.2
171.11720	3.8
173.13269	10.8
175.14828	10.7
177.12872	1.4
177.16389	10.0
181.04965	6.7
181.12100	1.4
183.11685	2.0
185.13269	3.3
187.14825	24.7
189.16389	21.9
191.14259	3.8
191.17943	5.2
193.16005	1.5
199.14771	6.2
201.16389	26.8
203.17963	10.0
205.12154	1.2
205.15906	5.2
209.13391	2.0
213.16365	11.1
214.66521	1.1
215.17979	13.6
217.15952	4.3
217.19563	3.0
219.17477	11.1
225.16464	1.5
227.17937	2.2
229.15715	2.1
229.19478	1.7
231.17552	2.3
233.19008	2.8
235.16893	8.6
239.17949	2.4
241.19461	2.7
243.21230	2.7
247.16954	4.0
249.18452	1.4
261.18533	4.7
265.34149	1.1
267.21100	3.2
389.32037	4.8
395.29340	1.9
407.33139	25.1
409.34726	3.0
423.32605	1.6
425.34216	1.8
435.32697	8.2
453.33734	13.5
577.10455	1.3
651.27216	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	651.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	16.7
55.01876	12.3
55.05519	43.4
56.70125	3.5
57.03448	19.7
62.04158	3.4
65.03943	5.4
67.05178	5.4
67.05508	59.3
69.03436	27.6
69.07080	20.7
69.28661	8.4
69.29061	19.2
71.05000	12.8
79.05506	100.0
81.03431	89.2
81.07075	70.8
83.01347	7.2
83.04997	33.5
83.08632	14.0
85.02917	15.5
90.73459	3.8
91.05490	90.7
93.07062	80.2
94.27502	3.2
95.04989	35.7
95.08624	41.2
97.02902	24.7
97.06528	6.4
97.10178	6.7
99.04460	12.2
105.04527	5.7
105.07040	59.4
107.04974	18.3
107.08609	42.7
109.02901	15.2
109.06537	15.9
109.10184	11.1
111.04452	16.7
111.08098	7.0
117.07002	19.6
119.04970	19.8
119.08590	36.6
121.06507	8.4
121.10169	16.5
123.04408	5.1
123.08087	17.0
123.11702	4.4
125.05949	5.5
125.09620	4.3
127.03928	14.7
128.06241	7.3
129.07016	26.9
131.08606	25.7
132.47546	3.4
133.06544	11.6
133.10132	17.3
135.08049	6.1
135.11742	19.2
137.09587	3.9
141.06998	4.7
143.08607	20.5
145.06532	7.6
145.10152	35.7
147.04434	62.1
147.08072	8.1
147.11723	36.0
149.09650	4.7
153.12791	11.5
155.08569	7.4
157.06628	3.8
157.10112	6.1
159.08121	3.7
159.11702	10.6
161.09685	7.3
161.13272	10.5
163.11179	26.8
167.08626	3.2
169.10143	3.9
171.08101	3.6
171.11714	31.7
173.09642	8.9
173.13252	5.1
181.12276	10.2
181.42171	3.6
185.13272	5.3
187.14781	6.1
189.11118	3.5
189.12738	11.6
191.10725	8.4
191.14287	4.1
199.14763	5.1
203.14325	4.3
207.13843	23.4
209.11760	10.5
209.13487	4.7
213.16423	7.3
221.15331	5.5
227.12813	18.3
233.12894	3.2
259.16928	6.1
269.15381	10.8
281.14676	6.4
281.17514	60.7
283.15439	39.1
287.16507	13.1
301.16699	4.1
353.16000	6.0
392.35172	4.9
405.31705	4.5
425.21777	5.4
427.19528	8.3
471.27249	12.3
489.28622	34.7
633.32776	26.8
651.33679	11.0
660.65393	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	651.2912
Annotation	Chondramide D
Peak:m/z	Relative Intensity
50.01616	0.4
51.02375	1.0
53.03943	2.3
53.25507	0.3
53.29438	0.3
55.01861	1.0
56.30908	0.3
56.48416	0.3
62.26733	0.3
66.64425	0.3
67.05495	1.1
69.03427	3.5
69.72832	0.3
71.01364	0.4
71.04985	1.2
71.49014	0.4
77.03926	0.7
79.05509	1.9
81.03417	1.5
81.07043	0.5
83.04966	0.4
85.02903	2.1
89.03912	0.7
91.05475	1.9
93.07041	2.5
95.04967	43.6
97.02897	9.5
97.03524	0.5
103.05470	2.9
105.04515	1.2
107.04956	13.6
109.02885	2.4
115.05463	0.8
117.03395	0.6
117.07008	2.8
120.08131	0.5
121.02830	0.4
121.06501	5.4
123.04426	8.8
125.02351	18.6
125.05968	2.2
127.03958	0.7
131.04961	1.3
135.04402	1.4
139.03871	0.4
143.07294	1.8
144.08081	100.0
145.02853	0.8
145.08417	0.9
145.59686	0.4
149.05986	9.0
149.12079	0.4
151.03900	36.9
152.10690	0.4
153.01833	1.7
153.05479	1.8
154.12282	0.5
155.06041	0.9
156.08121	0.8
157.08902	0.9
158.09616	0.6
159.04457	1.5
163.03886	3.9
165.11482	0.4
167.07170	0.5
167.28751	0.3
170.09654	1.0
177.05469	4.2
180.08092	0.5
181.08900	1.1
182.09714	0.4
194.09692	0.6
195.06541	8.9
204.08049	0.4
206.09779	0.6
222.09019	0.4
224.10640	1.6
224.63901	0.3
242.72417	0.3
251.09384	0.4
268.09680	5.6
268.12402	0.4
280.17065	0.3
297.19641	0.8
315.78372	0.3
319.08365	0.6
338.13950	0.7
419.19672	14.4
489.23871	2.0
500.19229	3.3
651.29114	77.5
652.29480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2814
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
53.03896	1.1
55.05454	2.9
55.05708	1.2
57.03397	0.8
57.07040	1.5
61.84652	0.6
67.05439	6.0
69.03400	1.5
69.07008	2.1
71.08614	1.3
71.22935	0.9
78.21857	0.7
79.05497	3.2
81.03409	3.2
81.07062	6.6
81.64760	0.6
82.07304	1.0
83.04937	1.0
83.08569	1.6
85.06512	0.7
86.09690	0.7
86.40501	0.6
91.05409	2.4
93.07036	3.4
95.04909	1.3
95.08624	6.4
96.08905	0.8
97.10114	1.6
105.06951	2.0
107.08525	2.2
109.06480	0.9
109.10110	1.7
111.04391	1.1
117.06992	1.4
117.40058	0.6
119.08495	1.9
121.06466	0.7
121.10063	1.6
123.11602	0.9
125.09576	0.9
127.03844	1.1
131.08430	0.6
133.10075	0.9
135.07980	0.9
135.11646	1.2
145.10088	1.0
147.11519	0.8
149.09531	0.8
149.13269	0.7
157.10092	0.8
159.11592	0.8
163.11075	0.7
184.07298	1.7
208.35365	0.7
215.12770	1.1
216.13046	0.9
229.14371	0.9
275.20001	1.9
276.20386	1.0
293.21161	1.3
313.27399	1.1
314.27579	1.1
357.12390	0.8
374.16702	1.2
376.17212	0.8
391.19165	1.7
392.20319	0.8
398.15994	0.9
399.16180	2.7
400.16776	2.1
401.17709	3.6
402.18332	1.1
405.20972	1.6
407.22327	2.8
411.16293	0.8
413.17847	2.3
414.18613	4.7
415.19345	8.7
416.20016	1.2
417.20999	1.3
425.17859	1.5
427.19269	1.9
428.20624	3.6
429.21292	7.9
430.21536	1.9
431.18655	1.7
434.21127	1.8
435.21857	1.3
441.17191	2.0
442.18069	1.0
443.18250	3.5
443.22562	4.4
444.18787	5.4
445.20251	3.0
457.20401	5.7
458.21271	3.7
459.22308	0.9
461.19919	1.3
470.17001	1.0
471.22119	7.6
472.23431	5.9
473.19632	5.8
474.20578	2.5
484.18771	1.0
485.19571	2.2
486.20578	7.9
487.21362	2.3
488.22137	1.4
489.23306	1.3
490.20090	4.3
499.21387	11.1
500.21771	2.7
502.19781	1.1
503.24561	5.1
514.20190	0.9
516.21594	1.6
517.22284	8.5
521.25671	0.9
527.20709	2.9
528.21460	1.7
531.24023	14.2
543.23779	1.3
549.24933	6.2
559.23444	100.0
560.23480	3.1
587.22931	16.9
588.23676	1.0
591.25421	0.9
619.25537	98.9
620.26013	4.2
651.28235	14.8
651.44604	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	650.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.05039	0.8
57.07069	0.2
58.06361	0.2
58.06622	0.5
58.50475	0.2
59.44316	0.1
60.08165	6.5
67.05513	1.2
69.03409	0.2
69.07072	0.3
71.07372	3.4
71.08627	0.3
76.41717	0.2
79.05491	0.7
81.03434	0.2
81.07055	1.1
83.08627	0.4
85.06544	0.2
86.09708	31.0
87.10048	0.2
91.05469	0.6
93.07033	0.9
95.04959	0.4
95.08606	0.6
97.10181	0.3
98.20723	0.3
98.98461	2.9
101.94985	0.2
104.10748	2.0
105.07033	0.8
107.04949	0.3
107.08606	0.4
109.06514	0.4
109.10139	0.5
115.74159	0.1
117.07015	0.2
119.08587	0.7
122.95045	0.2
125.00005	20.4
129.06894	0.2
131.08577	0.2
133.10141	0.5
135.11606	0.2
149.09624	0.3
163.11304	0.2
166.47794	0.2
167.43976	0.1
184.07344	100.0
185.07669	0.4
193.12268	0.4
227.12778	0.2
273.18552	0.5
275.20053	0.4
291.19534	1.1
378.25729	0.2
467.37982	0.2
468.64154	0.2
509.38446	0.6
536.18091	0.2
603.65021	0.2
650.43958	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	650.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01875	12.7
55.05273	2.9
55.05511	32.0
57.03432	5.6
59.04987	3.1
65.03930	2.8
67.05505	42.0
69.03419	5.1
69.07074	19.1
69.77482	5.0
69.77899	8.6
71.04977	6.0
71.26176	2.5
79.05075	3.9
79.05498	51.1
81.03424	12.3
81.07059	100.0
81.07534	5.6
83.04971	13.3
83.08619	23.0
85.02862	3.6
91.05483	36.2
93.07050	32.4
95.04975	23.3
95.08604	18.8
97.02872	5.6
97.06517	11.6
97.10185	18.4
98.21258	7.6
99.04500	2.8
103.05522	2.3
105.06394	3.5
105.07037	38.4
107.04973	19.5
107.08588	28.6
109.06535	17.4
109.10160	20.2
111.04453	12.8
111.08078	8.7
112.26543	2.5
115.05436	3.6
117.07024	20.1
119.08595	37.8
121.06551	11.6
121.10143	14.5
123.04393	2.9
123.08082	20.5
124.16932	2.0
124.71159	2.1
125.09628	22.7
128.06198	5.3
129.07036	11.4
131.02887	2.1
131.08594	16.4
133.06490	5.7
133.10159	14.9
135.08061	14.9
135.11665	8.5
137.06006	3.0
137.09642	6.8
141.07024	4.6
142.07690	4.8
143.08614	10.9
145.06459	4.8
145.10124	22.4
147.08040	17.6
147.11679	9.7
149.09628	12.3
153.09126	7.0
153.12730	6.4
155.08534	4.3
157.10149	11.3
159.08038	7.9
159.11615	5.4
161.09654	14.9
163.07518	5.8
163.11198	21.8
165.09137	6.2
171.10173	2.6
171.11696	5.9
173.09578	3.3
175.11198	7.6
177.12717	3.3
181.10425	2.7
181.12225	8.7
183.11710	2.5
185.13226	2.8
187.11206	3.2
189.11208	18.9
189.12694	5.0
191.10638	6.3
193.10283	3.3
193.12256	26.8
195.11646	3.1
201.12749	2.5
223.13350	7.3
227.12720	8.5
237.16263	3.3
243.17395	3.1
245.19046	5.1
249.15062	3.1
255.17390	5.1
261.18317	2.8
271.17035	10.7
273.18500	54.5
289.17990	47.7
291.19562	97.6
292.19742	3.3
307.19028	13.2
309.20511	7.5
343.18820	2.6
407.77576	2.6
459.38885	2.3
561.35254	3.4
579.36670	6.5
597.37646	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	650.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01870	6.9
55.05514	19.1
57.03425	1.4
57.07062	0.8
57.24660	0.8
59.04982	0.9
65.03940	1.4
67.05511	19.9
69.03435	4.2
69.07069	9.5
71.04980	2.1
71.49150	1.2
71.49503	0.8
75.08996	0.8
79.05496	27.0
81.03426	5.9
81.07060	51.2
83.04990	7.8
83.08620	11.3
84.47398	0.8
85.06551	1.1
91.05486	20.3
91.46944	0.8
93.06480	1.6
93.07047	20.6
95.04964	13.1
95.08608	11.2
97.02914	0.9
97.06563	4.4
97.10175	15.8
97.68578	0.9
99.08137	1.4
100.71745	0.8
103.05419	0.9
105.04511	1.1
105.07039	14.7
107.04961	9.2
107.08598	13.7
109.02887	1.7
109.06519	9.9
109.10165	6.9
111.04441	6.6
111.08068	3.3
113.01952	0.8
115.05473	2.0
117.07018	11.8
119.04935	1.5
119.08586	20.8
121.06501	6.3
121.10160	8.4
123.08068	6.6
125.05963	1.5
125.08929	0.8
125.09653	10.8
128.06221	1.2
129.07022	4.9
131.08582	11.1
133.06509	3.1
133.10152	7.9
135.08066	8.4
135.11670	5.5
137.09628	3.1
139.11160	1.7
140.92975	0.8
142.07880	0.7
143.08540	4.5
145.06473	3.4
145.10130	14.6
147.08063	12.2
147.11717	2.8
149.09622	6.8
151.07410	1.1
153.09103	4.6
153.12767	2.4
155.08539	1.5
157.10161	4.6
159.08073	4.7
159.11699	4.5
161.09612	8.2
163.07562	2.7
163.11215	9.6
165.09143	3.6
167.08673	0.9
169.10133	1.6
171.10287	1.6
171.11681	3.3
173.09706	4.2
173.13197	1.4
175.11205	2.1
177.12746	1.2
179.10727	1.1
181.12198	4.0
184.07347	1.7
185.09569	1.1
185.13281	2.0
187.11240	1.2
189.11237	11.8
189.12743	1.2
191.10651	5.4
193.10593	1.5
193.12241	10.8
195.11644	0.9
197.13223	1.0
199.11153	1.3
201.16432	1.5
204.11047	1.0
205.12384	1.0
209.11777	1.5
213.12679	1.9
213.16364	1.1
221.11740	1.2
223.13275	4.8
227.12738	5.9
227.17921	1.6
245.19078	2.9
249.14842	2.6
255.17378	4.3
261.18665	1.3
263.20142	1.1
271.17041	4.2
273.18512	29.2
289.18018	15.9
291.19553	100.0
292.19720	1.5
294.21341	0.8
307.18820	4.1
309.20505	5.2
375.00076	1.0
579.37048	1.2
597.37524	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	649.4101
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03949	2.5
55.01874	1.2
55.05312	1.0
55.05515	10.4
57.03439	1.9
57.07087	12.2
64.92438	1.1
67.05516	13.9
69.03414	2.1
69.07070	9.4
71.08631	6.8
79.05495	8.5
81.03420	12.2
81.07062	19.2
83.04969	2.2
83.08630	9.3
85.02916	2.0
85.10180	3.6
89.03921	6.6
91.05486	11.5
93.07051	11.2
95.04967	4.2
95.08613	23.6
97.02905	2.4
97.06551	1.6
97.10172	5.2
97.65509	1.0
103.05482	1.6
105.07030	16.2
105.80110	0.9
107.04955	4.2
107.08604	13.0
109.02876	4.6
109.06530	2.5
109.10171	13.3
111.04403	1.1
111.08097	1.6
117.03392	16.4
117.07011	4.1
119.04947	1.2
119.08595	20.0
121.06509	3.9
121.10155	12.3
123.04427	1.2
123.11752	6.2
125.02401	1.8
126.76643	1.0
127.03912	3.2
129.06976	3.3
131.04938	2.2
131.08586	6.3
133.06529	1.3
133.10155	13.9
134.03671	1.5
135.04436	2.1
135.08072	1.4
135.11714	9.5
137.13232	1.8
142.67458	1.0
143.08557	3.3
145.02859	46.1
145.06447	1.9
145.10144	9.9
147.04453	2.0
147.11699	11.6
149.05995	12.1
149.09677	1.8
149.13272	7.1
151.07840	1.0
155.08560	1.9
157.10136	3.5
159.11699	6.6
161.09604	1.3
161.13297	7.5
163.03885	3.9
163.11218	2.6
163.14830	3.7
165.09145	1.5
166.38248	1.0
171.11803	2.0
173.13284	3.7
175.11230	2.1
175.14813	10.6
177.05489	100.0
177.16415	9.9
183.11603	1.6
185.13312	2.0
186.05528	1.8
187.14809	2.5
189.16422	17.1
191.17966	3.9
193.12239	3.8
195.06552	31.6
199.14989	1.5
201.16420	18.1
203.17969	22.5
207.13898	1.4
207.17418	4.3
211.13284	1.5
213.16411	5.9
213.18147	1.1
215.16135	1.5
215.17998	13.9
227.17897	2.0
229.19559	2.0
235.16887	2.2
241.19466	2.3
247.16992	3.2
249.18524	1.7
253.19409	1.3
255.13918	1.5
261.18555	4.8
261.91299	1.2
267.16034	6.4
267.21100	1.6
273.14832	4.7
291.15884	1.2
301.14493	5.1
313.27417	13.8
319.15405	9.4
326.92126	1.1
337.16473	1.3
365.32324	1.2
371.25183	1.1
375.18042	2.9
391.33591	4.1
393.19141	3.9
409.34695	7.8
411.32657	5.0
437.34238	20.3
505.38818	2.2
523.39941	4.0
601.40747	1.3
631.41742	3.9
649.43341	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	649.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05516	5.9
57.03428	1.1
57.07084	4.3
65.03905	1.2
67.05512	10.2
67.29959	0.9
69.03412	1.4
69.07075	7.1
69.13902	8.9
71.08633	1.4
79.05503	7.5
81.03433	4.8
81.07057	14.9
83.08643	5.8
85.06554	1.1
85.10151	1.5
89.03910	6.5
91.05470	7.0
91.33305	0.8
93.07050	11.8
95.04975	3.7
95.08611	20.7
97.02902	0.8
97.10158	2.2
105.07043	12.3
107.04958	1.8
107.08602	16.7
109.06506	2.0
109.10155	10.6
111.04398	1.2
111.08073	1.1
117.03384	21.0
117.07013	2.3
119.04975	0.9
119.08582	20.5
121.06479	1.4
121.10155	14.7
123.04389	0.9
123.08051	1.3
123.11705	7.9
125.09615	1.6
125.54505	0.8
131.08571	6.8
133.06529	0.9
133.10141	15.1
134.03641	1.6
135.04410	2.1
135.07964	1.1
135.11693	7.3
137.13255	1.6
143.08585	3.3
145.02855	46.2
145.06534	1.0
145.10129	8.9
147.04422	1.0
147.08138	1.4
147.11694	10.4
149.05994	8.4
149.09702	1.2
149.13271	6.0
153.09105	1.6
157.10120	2.2
159.11711	7.6
161.09634	1.5
161.13301	4.9
163.03908	2.9
163.11166	1.3
163.14845	3.9
171.11743	1.8
173.13342	5.4
175.11241	0.9
175.14798	8.0
177.05478	100.0
177.16388	9.1
183.11670	1.5
185.05881	0.9
186.05513	2.1
187.14857	4.2
189.16382	15.5
191.17979	4.8
193.12227	1.4
195.06544	32.9
197.13124	1.1
199.14938	1.1
201.16380	12.5
203.17955	18.0
205.15871	2.0
205.19514	1.1
207.17435	2.3
211.14812	0.9
213.16338	3.8
215.17941	11.0
217.19476	1.7
229.19664	1.3
231.17404	1.2
235.16931	2.7
237.68373	0.8
241.19476	1.5
243.21083	2.1
247.17003	5.7
253.19511	1.3
255.21046	1.9
259.17090	0.9
261.18500	8.8
273.14902	2.9
275.20099	1.9
287.20157	1.2
289.21326	1.0
299.19958	1.5
301.14243	1.4
313.21872	1.0
313.27338	3.6
315.23343	1.7
319.15604	1.3
335.26111	0.8
355.26230	1.1
365.31885	1.6
375.18033	0.9
391.33499	5.3
409.34708	4.5
411.32373	5.6
437.34180	21.0
613.40991	2.6
631.40735	1.0
646.15845	0.9
649.43506	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	648.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
53.51756	7.3
55.05519	33.0
57.03431	7.4
57.07899	6.1
59.04999	7.0
60.26623	7.1
66.75683	7.4
67.05515	54.6
69.07059	23.2
70.15688	26.9
71.04973	7.6
74.09715	6.2
75.04459	10.5
79.05495	50.2
79.18160	6.4
81.03426	11.0
81.07063	69.2
83.04989	9.8
83.08618	25.9
91.05489	46.3
93.07055	48.0
95.04962	30.8
95.08637	42.4
95.09151	10.3
97.06549	11.4
97.10145	20.0
98.21607	6.6
99.08157	8.0
105.07043	41.4
107.04942	16.3
107.08586	29.7
109.06514	16.3
109.10149	20.5
111.08090	9.5
117.07015	22.4
117.45428	7.5
119.08595	36.2
121.10150	29.2
131.08553	25.0
133.10139	31.7
135.08040	19.7
135.11694	16.5
137.09639	11.2
143.08569	9.7
145.10106	28.5
147.08022	10.2
147.11723	17.2
149.09596	21.4
159.08141	7.1
159.11676	18.3
161.09607	16.0
161.13290	8.3
163.11195	27.3
165.09087	8.9
173.09663	10.7
175.11147	8.9
179.14310	12.9
193.12238	21.8
223.13213	18.8
257.18912	9.9
271.16769	8.7
273.18405	16.0
275.20096	100.0
277.21616	8.5
289.17944	26.4
291.19650	35.9
293.21194	59.3
305.21118	8.4
309.92285	6.9
354.13913	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	649.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.5
55.01865	7.3
55.05508	24.5
57.03430	9.7
65.03931	5.1
67.05505	74.0
69.03431	20.5
69.07067	16.9
70.78375	2.8
71.04983	5.3
73.06540	3.3
79.05495	100.0
81.03419	38.6
81.06603	3.2
81.07060	57.5
83.04983	20.8
83.08640	5.2
85.02921	11.8
85.06541	4.4
85.67371	2.6
90.23148	2.5
91.05484	93.2
93.06490	4.8
93.07047	81.7
95.04969	30.4
95.08617	36.3
95.53335	2.5
97.02882	8.0
97.06527	8.1
97.10144	3.7
99.04394	2.9
99.08089	3.5
103.05439	3.8
105.04536	6.0
105.07037	62.6
107.04957	15.1
107.08585	25.1
108.08852	2.4
109.02872	6.1
109.06531	9.8
109.10146	5.9
111.04455	3.2
115.05453	8.6
117.07027	26.9
119.08583	34.7
121.06507	8.2
121.10162	9.0
123.04410	3.7
123.08051	11.2
127.03898	7.8
127.07570	3.3
128.06215	10.3
129.07016	36.6
131.04950	4.5
131.08565	16.7
133.06526	5.6
133.10129	13.1
135.08052	7.3
135.11646	3.6
141.06984	5.1
143.08575	22.5
145.06516	8.7
145.10156	16.5
146.26717	2.7
147.04408	5.7
147.08047	9.8
147.11699	39.9
151.07469	3.6
155.08614	5.1
157.06506	4.8
157.10162	6.6
159.08040	6.3
159.11707	6.1
161.09598	8.9
161.13249	15.8
171.08049	5.6
171.11694	38.3
173.04462	7.0
173.13225	5.0
179.14299	3.7
181.10091	3.1
184.07288	4.3
185.09627	4.2
187.11206	3.9
189.12743	17.3
207.13809	39.4
209.13402	5.0
211.14844	2.8
221.15315	4.7
225.14893	3.2
241.15953	6.6
251.14363	5.2
269.15323	10.5
279.15872	2.7
281.17450	55.9
287.16541	12.9
305.17508	3.4
315.16074	3.2
333.17145	4.1
407.20477	3.1
425.21683	6.6
487.30542	36.3
501.31830	5.1
567.33160	7.7
571.63965	2.9
606.75647	2.5
624.51575	2.9
631.34283	6.8
649.35040	4.0
649.51306	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	648.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03636	1.1
53.03936	6.0
55.01872	11.1
55.05511	18.5
57.03430	3.0
58.43481	1.3
59.05016	2.3
64.50130	1.1
65.03922	3.7
67.05178	2.0
67.05505	22.8
69.03422	4.5
69.07063	16.0
71.04986	2.9
71.23374	2.3
74.12661	1.4
79.05492	36.3
81.03426	12.2
81.07059	42.7
83.04975	8.7
83.08621	10.5
85.06545	3.4
91.05482	29.6
91.32145	1.3
93.07052	28.2
95.04961	9.4
95.08609	13.7
97.02864	2.2
97.06536	15.6
97.10172	9.8
97.59997	1.3
99.00828	2.4
105.07035	21.6
107.04964	13.8
107.08595	18.2
109.02887	6.6
109.06514	9.4
109.10133	8.3
111.04455	5.1
111.08073	5.0
115.05456	4.0
117.07021	14.5
119.04893	1.6
119.08579	22.2
121.06514	11.0
121.10159	6.5
123.04430	5.7
123.08054	4.7
125.06007	1.6
125.09622	9.7
128.06178	3.6
129.07001	6.0
131.08585	11.2
133.06506	3.7
133.10135	11.5
135.04387	2.5
135.08054	24.9
135.11700	5.4
137.05928	1.5
137.09628	5.9
139.07559	1.4
141.07007	2.1
142.07881	1.4
143.08565	6.0
145.06479	5.9
145.10115	10.7
147.08028	6.9
147.11694	4.4
149.05952	1.3
149.09619	2.5
151.07535	2.0
151.11151	4.3
153.09119	4.5
153.12721	6.2
155.08562	4.0
157.10126	4.9
159.08060	10.6
159.11664	3.9
161.09622	14.2
163.07544	23.3
163.11151	6.5
165.09157	1.4
165.47626	1.3
168.78783	1.4
169.10205	2.0
171.08058	2.4
171.11736	2.1
173.09618	4.4
173.13252	2.2
175.11226	3.9
177.09082	1.8
179.10666	3.2
181.12219	6.1
184.07271	2.8
185.09753	1.9
187.11191	3.1
189.09190	2.3
189.11217	5.8
189.12726	2.4
191.10686	4.4
193.12245	57.2
201.09248	1.5
201.12778	1.9
205.12192	1.8
209.11592	2.5
217.12265	1.6
221.11749	4.3
221.15326	1.5
225.16454	1.9
227.12668	7.3
234.61220	1.3
243.17442	5.6
253.15897	3.7
261.18515	8.4
271.16965	24.2
275.20096	2.6
276.20551	1.6
289.17984	100.0
290.18204	2.7
291.19568	2.6
307.19025	25.1
345.20630	1.7
385.23520	1.4
481.29297	3.4
485.82941	1.5
497.29025	2.3
499.30801	1.7
531.28516	1.4
539.44983	1.5
545.83667	1.7
577.35547	3.2
595.36267	14.9
613.37189	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	647.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03641	0.2
53.03930	0.5
54.30212	0.2
55.01881	0.5
55.05504	0.9
57.03436	0.2
57.07058	0.2
63.02385	0.6
65.03940	0.3
67.05499	1.6
69.03408	0.3
69.07052	0.5
70.77818	0.3
70.78160	0.4
71.04959	0.2
73.13918	0.2
79.05492	2.7
80.05793	0.2
81.03406	0.4
81.07058	3.7
83.04974	0.5
83.08601	0.5
85.06547	0.2
86.09707	0.3
89.03917	9.4
91.05481	1.7
93.03385	0.2
93.07030	1.2
95.04961	0.8
95.08607	1.1
97.06510	0.5
97.39004	0.2
100.14021	0.2
105.07026	2.0
107.04956	3.0
107.08601	0.8
109.06522	1.6
109.10114	0.5
111.04444	0.4
117.03383	11.1
117.07040	0.4
119.08595	1.3
121.02858	0.7
121.06523	0.4
121.10149	0.9
123.08044	0.4
123.11734	0.3
124.99960	0.4
125.05936	0.3
129.07021	0.3
131.08578	1.0
133.06519	0.3
133.10158	1.0
135.04416	20.5
135.11703	0.5
137.09599	0.3
139.03885	0.3
142.07747	0.2
145.02856	14.2
145.10138	0.9
147.08098	0.2
147.11676	1.3
149.09642	0.6
155.08469	0.2
157.10150	0.5
159.11708	0.7
161.09781	0.2
163.03905	100.0
163.11177	0.6
164.04253	1.0
165.12781	0.5
167.10593	0.2
173.13251	0.4
175.11198	0.3
181.05006	0.6
181.12199	0.5
184.07332	1.8
186.05505	0.5
193.12219	0.4
207.13826	0.2
257.19022	0.5
273.71964	0.2
275.20056	6.9
293.21112	1.9
337.09198	1.0
363.60001	0.2
423.07901	0.3
431.24374	0.2
449.25381	0.7
450.29480	0.3
467.26315	0.3
611.28320	1.2
629.29395	0.7
647.41711	0.3
668.89044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95295	10.7
53.73975	12.3
55.05507	26.5
57.07072	18.8
59.05008	100.0
61.90047	11.0
67.05498	49.7
67.27819	11.0
69.07050	33.6
71.49373	13.2
75.04491	67.1
79.05483	52.5
80.66180	10.4
81.03413	11.9
81.07070	87.9
83.04987	40.7
83.08623	38.2
85.06539	36.1
89.06029	43.4
91.05495	58.8
93.07049	73.5
95.04987	30.6
95.08601	33.7
97.06513	26.7
105.07055	72.3
107.08592	50.1
109.06541	17.5
109.10146	24.7
117.06996	29.7
119.08601	74.9
121.06542	15.6
121.10149	33.7
123.08073	27.0
125.05993	54.5
131.08595	23.7
133.10133	39.8
135.08090	13.2
135.11713	22.8
143.08499	24.0
145.10124	48.3
147.11742	17.6
149.09589	17.7
151.11134	15.0
155.08698	10.6
157.10141	25.0
159.11726	25.7
163.11232	87.1
168.09312	11.2
171.11804	16.9
175.11322	15.2
175.14867	16.3
181.12242	96.7
185.13315	15.4
197.13229	16.9
209.13411	14.3
221.15344	16.1
238.15607	16.2
239.16351	22.7
273.18341	20.2
275.20157	56.5
289.21640	13.9
291.19556	34.8
297.22144	27.0
301.96820	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	646.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84215	0.9
53.03948	1.6
55.05515	6.0
57.07078	16.3
59.04758	1.0
59.05006	10.7
65.03928	1.2
67.05512	6.1
69.03423	1.1
69.07070	4.5
71.04979	1.2
73.06547	1.3
75.04491	5.1
75.69501	0.8
79.05495	8.9
81.03414	2.4
81.07062	8.0
83.04987	26.6
83.08606	1.4
85.06086	1.2
85.06552	16.3
89.06036	36.9
89.37788	1.0
91.05482	8.2
93.07045	11.9
95.04985	7.7
95.08596	5.4
97.06541	13.9
98.21569	1.5
99.08080	2.3
105.07043	10.3
107.04953	1.6
107.08592	12.0
108.08826	1.1
109.06493	1.6
109.10162	5.3
111.08096	3.0
115.05524	1.3
115.07568	3.3
117.07041	4.0
119.08583	16.6
121.06494	2.5
121.10140	8.2
123.08063	3.0
123.11733	2.0
125.06001	48.8
125.09647	3.0
128.06155	1.4
129.06989	2.2
130.07802	1.4
131.08595	8.3
133.10132	9.7
135.08066	1.4
135.11694	4.7
136.51140	0.8
137.09619	2.3
141.06992	1.7
142.07803	1.7
143.08586	4.6
144.09341	1.0
145.10129	13.2
147.11697	3.4
149.09593	3.4
151.11200	1.8
155.08601	2.9
156.09311	1.7
157.10149	6.8
159.11711	3.6
161.09592	1.8
161.13266	1.3
163.11188	56.5
165.06966	1.3
165.12567	0.9
167.08521	1.0
168.09363	1.1
169.10175	2.8
171.11707	4.0
173.09554	0.9
173.13280	8.0
175.11198	3.3
175.14830	3.3
179.08438	1.1
180.09305	1.9
181.12241	100.0
182.12540	1.2
183.11685	5.6
184.07355	2.2
185.13295	2.1
187.11200	1.4
187.14828	2.0
189.12718	1.3
191.14307	1.7
193.10150	1.3
193.12317	1.1
194.10925	1.0
195.11740	4.3
197.13304	4.0
199.14807	1.4
201.12715	2.4
201.16393	1.6
205.15688	1.2
207.11632	1.3
209.13223	4.9
215.14386	1.5
217.15933	1.7
219.17473	1.2
223.14981	2.0
223.16937	3.9
225.12857	0.9
227.14268	3.0
229.00223	0.8
239.17929	2.0
247.14796	1.2
249.18620	1.5
257.19016	3.6
264.17178	2.7
265.17957	1.1
271.20541	1.9
275.20123	1.2
283.20676	1.1
289.21729	10.5
297.22214	1.1
342.25531	1.8
349.25171	1.1
381.27896	6.3
383.27240	1.3
401.28421	3.0
433.31400	4.9
434.31763	1.1
505.38895	1.1
601.50940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.8
57.03440	1.2
57.07077	4.8
62.34832	0.9
67.05499	3.1
67.52287	0.9
69.07067	1.7
71.08633	2.1
71.48783	1.4
79.05507	1.5
81.07059	4.4
89.06064	1.4
91.05502	1.8
95.08611	3.7
97.10154	1.2
107.08575	1.7
109.10133	2.0
119.08619	1.1
121.10136	1.3
133.10144	1.2
135.11644	1.1
142.57486	0.9
146.48238	0.9
147.11732	1.0
153.56958	1.0
246.66144	1.1
333.20346	6.5
389.23077	4.4
418.78287	1.1
450.53882	1.1
645.47028	100.0
646.47467	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	646.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01883	0.4
55.05515	4.3
57.03439	0.8
57.07080	16.2
59.04989	0.4
62.06079	0.4
65.03920	0.5
67.05509	8.9
68.42189	0.3
69.03399	0.6
69.07073	3.6
71.02138	0.3
71.04976	0.7
71.08636	10.1
79.05497	4.7
79.20602	0.3
81.03423	35.6
81.07063	9.9
83.04972	1.1
83.08622	9.9
85.06556	0.5
85.09726	0.5
85.10191	5.7
91.04984	0.6
91.05492	7.0
93.07034	2.5
95.04977	8.6
95.08612	10.0
97.02882	1.0
97.10176	3.0
98.20766	1.1
99.08140	0.3
99.11679	0.4
105.07037	5.0
107.04969	2.2
107.08591	1.2
109.06512	1.1
109.10165	4.9
111.04452	0.5
111.08088	2.3
111.11686	0.4
115.05454	0.9
117.07030	0.5
119.08592	4.2
121.06483	1.0
121.10166	2.1
123.08031	0.5
123.11707	1.7
129.07022	4.4
131.08589	3.2
133.06503	1.4
133.10147	1.1
137.09668	0.4
142.07788	0.8
145.10181	0.3
146.02887	0.4
146.80563	0.4
147.08046	0.7
147.11716	2.7
147.12759	0.4
149.09596	1.6
150.32236	0.3
152.27707	0.3
157.10130	2.8
158.71852	0.4
165.12663	0.5
175.11203	2.9
193.12256	8.7
236.16522	4.2
239.23636	2.7
249.14876	3.3
267.15854	2.0
282.27969	1.6
283.82944	0.3
301.17139	0.4
313.27460	1.5
386.33774	0.4
505.38922	100.0
506.39114	2.5
608.79877	0.4
639.25507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01880	5.1
55.05512	31.2
57.03428	4.9
57.07065	8.2
59.06116	3.7
65.03929	5.1
67.05506	47.3
69.07079	24.1
71.08619	6.0
71.49084	4.1
79.05496	44.4
81.03419	7.1
81.06602	4.7
81.07062	87.0
82.05041	3.3
83.04983	3.0
83.08623	17.0
85.06536	3.8
91.05482	37.3
93.07046	41.6
95.04976	25.2
95.08605	36.6
97.06526	8.4
97.10184	6.4
97.52605	3.3
99.08014	4.3
104.39833	3.2
105.07039	31.8
107.04934	9.5
107.08605	25.8
109.06527	28.6
109.10185	18.2
111.08074	6.2
117.07009	10.0
119.08582	24.0
121.06473	9.4
121.10152	19.9
123.08060	15.0
123.11739	5.0
125.09620	5.4
125.58223	3.4
129.06979	3.2
131.08575	14.0
133.10147	23.2
135.08031	8.1
135.11700	12.0
137.09586	5.0
143.08549	4.9
145.10098	15.0
145.83832	4.3
147.08092	3.9
147.11690	18.4
149.09657	7.6
149.13235	5.9
151.11264	5.5
157.10175	5.7
159.11708	11.0
163.11201	13.0
165.12727	6.1
171.11794	3.8
173.13197	5.8
177.12694	4.9
179.14287	12.5
193.12225	5.4
223.13359	5.3
234.14774	9.0
239.17888	5.8
247.20619	4.1
247.97684	3.8
251.14906	3.8
252.15822	5.9
257.19034	7.5
275.20065	100.0
293.21231	31.9
331.26361	5.0
343.17252	4.1
347.25763	3.7
349.27414	14.7
351.28735	5.0
373.98062	3.6
414.99826	3.5
531.40070	4.4
545.41644	13.3
643.36938	7.3
643.46924	7.2
644.38837	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	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01875	10.6
55.05270	1.9
55.05519	29.0
57.03445	14.6
57.07068	4.8
58.71204	1.5
59.05003	1.4
65.03956	3.6
67.05510	73.7
69.03445	4.3
69.07072	27.3
71.04977	5.8
71.08618	2.5
79.05500	66.4
81.03421	4.8
81.07064	100.0
83.04969	9.9
83.08632	19.1
85.06528	4.2
89.06052	1.5
91.05486	64.5
93.07055	67.3
95.04987	11.5
95.08612	44.0
97.06554	12.3
97.10178	7.4
99.08081	4.5
103.05457	3.7
105.04510	2.4
105.07043	59.0
105.24213	1.5
106.07373	2.9
107.04989	9.0
107.08604	39.5
109.06517	13.6
109.10170	23.5
111.08073	8.5
115.05442	3.8
117.07027	19.9
119.08591	57.2
120.58652	1.5
121.06487	4.2
121.10152	26.9
123.08073	11.3
123.11721	9.3
125.09625	5.2
128.06206	4.1
129.07014	10.6
131.08575	30.4
133.06522	3.4
133.10146	34.2
134.07433	1.6
134.10378	1.6
135.08041	6.9
135.11713	19.0
137.09615	4.8
137.13223	1.4
139.11208	3.5
141.06984	2.7
142.07780	2.3
143.08571	13.9
145.06490	2.3
145.10132	30.8
147.08073	5.4
147.11699	36.8
149.09628	7.0
149.13283	12.0
151.11224	4.1
155.08559	4.1
157.10141	16.3
159.08034	2.1
159.11726	20.3
161.09610	4.7
161.13258	20.0
163.11156	8.5
163.14844	4.6
165.12749	5.0
167.08569	2.2
169.10158	6.5
171.11687	15.9
173.09641	2.8
173.13257	15.9
175.11183	3.1
175.14854	12.0
177.12761	3.9
179.14340	1.9
181.12189	1.6
183.11693	6.5
185.09900	1.5
185.13266	8.2
187.14822	5.4
189.11244	2.1
189.12804	2.0
191.14268	3.1
193.12338	3.0
193.13907	1.6
195.11639	2.6
195.13864	2.9
197.13229	3.3
199.14778	5.6
201.16449	2.8
203.14264	3.0
211.14978	2.6
213.16431	3.9
215.17999	2.3
217.15878	1.8
217.19481	2.3
225.16402	2.6
227.12798	2.4
231.21153	2.7
235.17056	2.0
237.16455	2.1
239.17976	4.3
241.19568	17.4
243.21097	2.2
245.19002	2.3
247.20512	2.8
257.18857	8.2
259.20605	31.3
261.22183	3.9
263.20007	3.7
267.15921	2.9
269.17340	1.6
273.18454	6.1
275.20117	32.0
277.21533	6.4
285.65976	1.9
289.21750	4.5
291.19598	8.9
293.21121	4.6
299.65149	1.6
309.20996	1.8
315.23184	3.0
333.24228	24.8
335.25922	8.3
349.23685	7.6
351.21213	2.4
351.25320	5.0
365.23376	3.4
367.24811	14.1
501.35635	2.9
513.35162	1.9
515.38104	4.4
517.39447	1.9
527.37250	2.2
533.39569	2.7
545.37909	6.0
551.40851	3.8
579.13776	1.6
607.43518	8.1
625.44580	21.1
643.41742	32.9
644.41815	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03955	7.9
55.01878	10.3
55.05516	26.9
57.03440	12.1
57.07070	4.1
65.03928	3.9
67.05509	71.4
68.62498	1.8
69.03429	5.2
69.07073	32.5
71.04994	6.3
71.08627	3.7
72.77465	1.5
79.05495	61.0
79.66643	1.9
81.03407	6.1
81.07061	100.0
83.04996	9.6
83.08623	15.6
85.02893	2.0
85.06546	4.9
91.05483	67.6
92.05812	1.5
93.07047	61.7
94.07397	1.9
95.01392	1.7
95.04984	13.5
95.08614	50.7
96.08944	2.6
97.06523	12.3
97.10167	7.6
99.08080	4.2
102.04048	1.5
103.05479	2.4
105.07038	61.3
106.07351	2.2
107.04973	9.8
107.08598	39.2
109.06527	12.3
109.10159	26.0
111.08060	4.8
115.05475	3.0
117.07023	22.0
119.08585	57.5
121.06501	7.6
121.10152	30.9
123.08053	9.0
123.11711	9.0
125.09629	4.4
127.07581	1.9
128.06219	3.3
129.07028	13.0
130.05217	2.0
131.08577	32.6
133.10141	35.7
135.08043	6.6
135.11696	17.4
137.09630	4.4
139.11163	3.0
141.06963	2.1
142.07758	3.6
143.08527	10.7
144.09363	1.8
145.06583	1.8
145.10132	29.0
147.08078	5.6
147.11693	28.2
149.09610	8.7
149.13284	11.1
151.11163	5.6
155.08530	4.8
157.10110	11.8
159.11693	18.0
161.09679	4.3
161.13261	16.4
163.11189	10.7
163.14740	1.8
165.12770	3.9
169.10136	4.3
171.11676	10.5
173.09651	2.9
173.11951	2.3
173.13266	13.2
174.61481	1.7
175.11212	5.1
175.14828	11.8
177.12770	3.7
179.14334	2.9
181.10146	3.1
183.11673	7.0
185.13214	11.4
187.11214	2.8
187.14851	5.9
189.12802	3.4
193.12291	2.6
195.11768	3.0
197.13278	6.9
199.11130	2.0
199.14743	4.1
201.16325	2.9
209.13287	2.6
213.16512	3.6
217.19618	2.4
227.12772	2.1
229.19481	3.3
239.17970	3.9
241.19534	16.1
243.21167	2.6
247.20601	2.5
257.19046	7.3
259.20578	32.2
261.22070	4.5
263.20074	2.2
269.17392	3.1
273.18521	7.5
275.20081	31.5
277.21707	6.4
282.43436	1.9
289.21619	3.8
291.19492	7.7
293.21204	5.3
315.23245	3.8
333.24319	25.9
335.25809	9.5
335.42398	1.9
337.23709	2.1
349.23672	7.4
351.25211	4.4
365.22879	5.6
367.24841	13.5
390.15900	1.7
421.30710	2.4
454.45181	1.9
501.35800	2.9
505.33505	1.8
515.37842	5.6
527.37042	4.9
533.39941	4.5
543.37244	2.1
545.38574	8.8
551.40887	2.5
583.22552	2.1
607.43610	8.5
625.44641	27.9
643.41779	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00032	1.6
53.03937	7.4
54.51096	2.0
55.01856	7.5
55.05513	29.6
57.03445	9.4
57.07080	3.0
58.19096	2.0
65.03935	3.6
67.05510	73.0
69.03413	3.6
69.07070	27.8
69.99745	3.2
70.00159	5.9
70.50111	1.6
71.04978	7.0
73.92313	1.7
74.95197	1.8
79.05498	60.1
81.03410	2.7
81.07058	100.0
83.04982	10.2
83.08624	16.0
85.06528	6.7
91.05486	74.4
93.06497	3.7
93.07049	66.7
95.04982	12.1
95.08607	50.2
97.06557	11.4
97.10160	8.2
98.21320	3.3
99.08075	4.7
101.06036	1.8
103.05459	3.5
105.04508	2.4
105.07033	69.5
107.04959	10.4
107.07899	2.3
107.08598	37.4
109.06503	12.7
109.10161	25.6
111.08057	3.6
115.05428	4.0
117.07015	21.6
119.08585	60.0
121.06556	8.5
121.07279	1.7
121.10141	30.6
123.08057	7.1
123.11745	12.5
125.09629	4.6
128.06262	2.7
129.05432	2.1
129.06984	15.0
131.08568	32.8
133.06493	2.7
133.10130	38.0
135.08020	7.8
135.11687	18.0
137.09604	5.6
137.13272	2.4
141.06944	3.7
142.07738	3.0
143.08572	17.2
145.10138	32.2
147.08034	2.6
147.11688	40.9
149.09624	9.4
149.13266	12.9
151.11137	3.3
155.08514	5.1
157.10135	15.5
159.08066	2.3
159.11696	24.5
161.09593	2.4
161.13251	23.9
163.11169	5.2
163.14775	3.3
165.12747	3.3
167.07094	2.7
169.10161	10.4
171.11684	15.1
173.13304	14.4
175.11261	4.3
175.14880	11.5
177.12715	4.7
183.11662	6.3
185.13255	9.7
187.11069	2.5
187.14796	7.8
189.12747	3.5
191.14345	2.1
193.12265	2.1
195.11726	3.5
197.13220	5.0
199.14827	7.0
201.12759	3.5
203.14316	2.8
207.13638	2.1
211.14767	3.6
213.16441	3.9
215.17996	3.0
229.19475	2.9
239.17929	3.8
241.19571	24.3
247.20605	2.2
257.19037	11.1
259.20578	42.0
261.22116	2.0
273.18506	2.3
275.20059	45.1
276.20444	2.1
277.21533	5.0
291.19571	2.9
293.21237	9.7
297.22296	2.5
315.23209	5.3
317.98718	1.9
333.24243	33.1
335.25763	6.4
349.23798	7.2
351.25491	3.4
367.24786	23.3
408.96320	2.3
446.29749	3.9
451.68005	1.9
515.37708	5.8
527.37274	3.4
533.39893	3.7
545.38538	11.2
546.39349	2.0
551.40918	6.0
607.43665	10.9
625.44904	20.8
643.37152	7.5
643.45300	5.9
664.43768	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
54.67581	1.1
55.01875	11.4
55.05515	20.7
57.03439	23.4
57.07077	3.3
65.03935	5.1
67.05508	73.9
69.03422	3.3
69.07076	16.3
69.22518	7.6
69.22945	3.7
69.34007	1.1
71.04978	3.1
71.08630	1.6
73.28609	1.0
74.15940	1.1
75.04496	1.3
77.03930	1.7
79.05499	54.2
81.03417	2.7
81.07060	59.1
83.04998	5.8
83.08627	9.7
85.06552	11.0
91.05488	38.9
93.07050	47.4
95.04976	52.2
95.08612	33.9
97.06540	8.7
97.10131	4.6
99.08086	1.9
103.05476	1.3
105.04523	1.7
105.07038	31.4
107.04974	10.4
107.08601	28.5
109.06522	63.2
109.10158	11.7
111.08081	3.7
113.06016	30.7
115.05431	1.6
116.06239	1.3
117.07030	14.3
119.08591	21.6
121.06503	6.9
121.10142	16.7
123.08066	5.3
123.11706	3.1
125.09635	4.4
128.06244	2.5
129.07004	8.1
131.08569	23.6
133.06473	2.9
133.10143	15.0
135.08060	51.5
135.11682	13.8
137.05984	2.3
137.09605	2.2
139.11139	1.4
141.06963	1.5
142.07764	1.5
143.08545	9.1
145.10118	16.4
147.08040	8.7
147.11699	6.4
149.09613	6.6
149.13249	5.8
155.08582	2.6
157.10136	6.9
159.08086	3.8
159.11676	9.0
161.09657	8.8
161.13251	5.1
163.11172	4.5
169.10155	2.0
171.11688	5.5
173.09636	1.5
173.13252	5.2
175.11206	3.9
175.14810	2.9
177.12740	3.0
179.14284	3.5
181.10170	2.3
183.11673	4.0
185.09596	1.6
185.13220	2.6
187.11134	1.6
187.14771	1.6
189.11192	1.7
189.12715	1.4
191.14394	1.3
195.11749	2.6
195.13676	1.7
199.11147	1.8
199.14845	4.4
201.12730	2.5
217.15895	14.5
219.13647	1.3
227.12778	2.9
233.15546	1.4
237.16418	2.4
245.19118	2.2
255.17435	3.8
261.22220	2.6
263.20044	1.5
273.18503	41.3
275.20139	4.0
277.21661	1.9
289.21606	1.6
291.19556	100.0
309.20728	2.3
317.25180	1.8
335.25806	43.7
347.22095	5.9
351.25211	1.4
365.23242	11.2
381.18146	1.2
545.38104	6.0
607.43408	4.8
625.44702	28.7
643.40149	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	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56802	2.9
53.03941	8.8
55.01875	13.2
55.05514	30.4
57.03438	19.7
57.07077	7.2
65.03945	8.3
67.05506	100.0
69.07072	27.8
69.40064	3.3
71.04997	6.1
71.50462	3.6
71.50829	4.7
79.05498	80.1
79.05923	6.5
81.03426	7.0
81.07066	88.1
83.04984	13.7
83.08643	8.3
85.06560	9.8
91.05495	61.4
91.65903	3.6
93.07047	90.0
95.04972	37.9
95.08611	63.7
97.06532	12.3
97.10199	6.1
105.04548	3.2
105.07026	47.1
106.05343	3.8
107.04962	14.4
107.08604	48.9
109.06525	36.2
109.10153	28.5
111.04441	3.8
111.08096	12.6
113.06016	20.0
117.07016	19.7
119.08572	26.8
121.06512	14.3
121.10168	22.3
123.08064	9.0
123.11737	8.5
125.09673	3.1
128.06226	4.7
129.06998	12.0
131.08549	24.3
131.18857	3.9
131.19978	3.3
133.06508	6.9
133.10141	35.4
135.08081	32.1
135.11703	15.6
137.06071	3.4
137.09627	6.9
139.07567	6.0
143.08598	12.7
145.10146	12.4
147.08067	10.8
147.11694	11.5
149.09645	12.8
149.13324	6.4
151.11205	9.9
157.10144	9.2
159.08066	4.3
159.11702	12.2
161.09624	13.2
161.13268	8.3
163.11183	7.7
171.11716	5.7
173.13342	4.7
177.12833	5.5
179.14311	12.5
185.13283	4.6
187.14905	5.4
199.14847	4.4
217.15871	10.4
233.15407	4.9
237.18553	5.4
245.19124	10.3
253.14415	8.8
255.17494	7.6
261.22067	4.1
263.20114	8.3
273.18472	50.3
275.20044	8.2
291.19553	97.5
309.20743	4.7
335.25797	72.4
347.22263	10.1
365.23343	28.4
496.04651	3.5
625.44641	45.4
643.45746	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	643.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.2
55.01857	8.0
55.05281	2.4
55.05518	36.3
57.03427	7.3
57.07055	3.9
57.84134	2.8
58.06589	8.7
59.06112	7.5
61.90513	2.1
63.15973	2.5
65.03909	2.2
65.63184	2.5
67.05191	4.3
67.05508	60.2
69.03421	8.0
69.06734	2.9
69.07073	33.1
69.82728	12.2
71.04967	3.3
71.08599	3.1
72.07389	2.6
72.51416	2.5
75.04488	2.9
79.05078	3.6
79.05494	50.8
81.03410	6.9
81.06602	3.5
81.07061	66.8
83.04972	7.2
83.08614	22.1
88.00816	2.4
89.98868	2.5
91.05487	37.3
93.06494	3.6
93.07047	56.1
95.04931	9.5
95.08611	43.0
97.02890	4.8
97.06525	9.6
97.10168	21.7
99.08130	2.3
105.07029	31.0
107.04942	6.3
107.08593	35.2
109.06493	7.6
109.10177	19.2
111.08066	5.7
117.07031	14.4
118.77558	2.4
119.08592	30.6
119.40759	2.2
121.06527	5.6
121.10113	19.1
123.08067	5.9
123.11700	7.0
125.09641	15.8
128.10257	2.7
129.07011	6.9
131.08594	23.4
133.10144	20.9
135.08073	4.6
135.11726	16.1
137.09656	4.6
141.06989	3.8
143.08630	6.1
145.10120	21.4
147.08051	9.2
147.11699	12.1
149.09642	5.3
149.13263	9.1
157.10101	7.0
159.11656	12.7
161.09586	4.0
161.13245	8.1
163.11145	4.5
163.14839	3.2
169.10132	5.2
171.11690	4.8
173.13252	6.3
175.14803	5.8
179.14265	3.3
183.11725	3.2
185.13219	2.8
187.14777	3.7
189.11250	7.2
199.14890	3.8
209.13306	3.3
223.13300	9.1
227.12766	18.0
243.21017	4.0
259.20499	4.4
261.22064	12.8
263.20099	3.1
273.18478	17.2
275.20251	3.8
277.21600	3.6
291.19559	100.0
293.21021	3.9
335.25800	36.3
365.23312	28.7
425.30661	2.6
439.31729	2.6
513.36194	3.5
515.37415	2.8
531.36768	3.9
533.39294	3.5
545.37921	11.4
551.40839	5.5
569.41858	2.8
607.42773	3.8
625.44629	67.2
643.46136	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17673	1.6
53.03933	1.7
55.01866	2.3
55.05512	1.8
65.03941	3.1
67.05508	2.2
69.03423	2.1
69.76801	6.3
79.05487	5.9
81.03412	3.9
81.07056	3.4
82.04150	1.5
82.06571	1.9
83.04965	1.6
83.08617	1.7
85.02902	3.1
86.09636	1.7
91.05482	8.7
92.04996	2.4
93.05794	1.6
93.07030	5.9
94.06561	6.4
95.04964	5.6
95.07368	2.0
96.08128	9.5
103.05463	9.5
105.07025	5.0
106.04106	1.9
106.06555	1.5
107.04959	4.0
107.08617	1.7
108.04488	2.1
108.08125	11.1
110.09696	11.1
111.04403	1.7
115.05447	4.9
116.04987	3.5
117.06989	3.0
118.04159	3.1
119.04936	1.6
120.04449	5.9
120.08118	11.4
121.06547	1.9
122.06029	4.3
123.04423	3.6
124.05247	2.6
124.07603	7.2
127.03860	1.7
127.85082	1.4
131.04944	10.5
133.06458	4.9
134.05974	5.3
135.08032	2.2
136.07581	11.0
137.05956	4.7
138.09171	14.2
144.04425	6.9
144.05470	1.9
145.06474	4.6
146.06064	8.1
147.04420	3.4
148.05112	5.2
148.07576	4.1
149.06012	2.1
151.03897	2.6
152.07111	1.9
153.05463	4.0
155.06027	2.2
160.03896	3.5
161.05994	3.8
162.05545	3.7
163.03777	1.9
163.07567	8.6
164.07101	3.3
165.05510	1.9
166.08656	15.8
167.07056	49.6
171.06618	1.9
172.03960	22.3
172.07414	1.6
173.06001	6.1
176.07140	2.8
181.04962	54.3
181.06552	3.6
182.09746	2.0
186.09187	2.0
190.04993	19.4
191.07028	37.6
193.05040	3.0
195.06548	1.6
197.10834	3.5
199.12294	2.4
204.06573	42.9
204.08496	2.5
205.08586	3.9
207.06522	4.0
207.10184	1.7
208.07364	2.1
211.08746	2.5
212.09247	2.0
219.10126	3.2
225.07556	4.2
225.10172	10.4
227.11815	14.0
233.08064	3.2
235.09811	3.3
236.09480	2.6
237.10252	2.2
238.11021	3.5
239.11841	4.4
241.09631	2.5
241.13437	2.3
245.08249	2.1
249.10341	2.4
251.11720	4.0
253.09740	6.3
255.11221	2.3
263.09302	8.4
263.11588	2.5
264.09003	3.1
265.09686	2.0
267.11200	2.2
269.12891	24.2
271.10684	8.6
273.12408	9.0
277.09549	2.3
279.11255	3.6
281.12741	2.0
283.10724	8.2
284.11609	6.8
285.12347	6.0
287.13913	18.9
297.12363	9.1
299.13913	3.4
313.12067	3.3
314.12857	4.6
316.14587	2.3
321.12354	2.8
323.10208	8.2
325.11853	30.3
326.16611	2.5
327.13492	3.7
328.10791	4.9
328.14505	4.1
329.14993	1.9
330.12350	2.4
330.16028	3.5
331.16843	3.1
339.13327	2.2
342.12445	10.6
343.13043	7.2
355.13031	2.0
356.13843	4.8
357.14197	7.6
358.15555	2.9
365.11203	2.1
367.12335	2.2
370.15787	7.3
371.15915	2.5
372.17303	2.1
378.17963	3.3
382.11771	3.9
383.12573	2.9
384.13260	3.9
385.13162	5.9
386.14621	3.8
386.19095	2.0
387.14325	4.3
388.16345	1.7
390.18103	5.1
398.14960	22.0
399.15842	33.2
400.16455	3.6
404.15891	6.5
412.16718	2.3
414.18057	6.0
416.16095	20.3
417.15540	14.7
428.16092	3.4
430.17847	3.7
440.15887	9.3
441.14371	2.5
446.17087	23.4
448.18451	2.1
458.17139	59.6
478.19275	2.4
490.19656	12.1
565.25098	2.6
567.25812	5.5
569.24036	13.4
583.25092	5.1
593.23798	13.8
611.25024	100.0
612.25092	3.6
626.25116	4.4
642.45337	2.1
643.34418	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62228	0.5
55.01848	1.2
55.05468	1.2
62.03414	0.5
62.29726	0.4
66.58302	0.4
67.05502	2.6
67.05771	0.7
69.07017	1.1
69.54301	3.0
79.05450	2.1
81.03382	0.7
81.07063	2.8
91.05453	1.5
93.06992	1.6
95.08544	1.8
97.06430	0.5
98.21311	1.4
105.06984	1.3
107.08568	1.1
109.10129	0.8
117.07010	0.6
119.08547	0.9
120.20088	0.4
121.10120	1.0
125.22131	0.5
131.08539	0.7
133.10072	0.7
135.11607	0.6
145.10092	0.9
147.11638	0.8
229.99837	0.4
259.20673	0.5
291.19571	0.6
386.14081	0.4
396.12158	0.9
397.12854	2.3
398.13965	1.3
400.15094	0.5
409.13327	0.9
410.13791	4.3
411.14511	5.9
412.15268	4.5
413.16159	2.2
423.15005	1.2
424.10965	1.3
424.15396	2.3
425.16321	12.4
426.16922	8.4
427.17917	2.3
428.18451	2.1
437.11908	1.0
438.12292	3.8
439.13586	14.7
440.13638	1.4
440.19312	5.1
441.19333	36.2
441.69620	0.6
442.19583	2.8
451.13434	0.9
452.14447	5.1
453.15250	15.3
454.15881	5.1
455.16553	0.9
456.18454	0.6
458.16464	0.5
463.13794	0.9
465.15909	0.8
466.11932	0.7
467.17191	27.0
468.17767	15.9
469.18900	11.2
470.18939	1.5
471.16693	0.6
474.70917	0.5
480.18341	1.0
481.14774	14.8
482.15326	5.5
483.16049	0.6
485.18796	0.8
495.16141	5.7
496.17014	25.1
497.17932	3.6
499.20419	1.1
500.20749	0.7
509.18295	3.0
510.19275	0.9
512.20386	1.4
513.21350	0.8
514.22455	3.0
523.19769	1.3
524.20294	0.8
527.23462	3.2
537.19208	1.0
540.19891	1.1
542.21082	0.9
555.22437	33.1
556.22766	2.6
568.19165	0.7
583.21936	100.0
584.22162	5.7
586.20129	0.7
587.25134	1.7
600.21710	1.0
611.21643	2.7
614.23914	1.5
615.24554	13.4
616.25153	0.7
625.44128	0.8
643.23871	74.8
644.24091	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	643.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.4
53.03932	1.0
55.01855	1.2
57.53217	0.4
63.71136	0.4
65.03945	3.1
67.05489	1.4
69.03431	1.0
78.04722	3.1
79.05505	3.2
81.03416	1.0
81.07064	0.7
82.04194	0.9
85.02923	2.6
91.05490	4.6
93.03392	1.2
93.07047	1.0
94.04164	0.5
94.97281	0.4
95.04976	2.8
97.06491	1.2
98.20695	0.6
103.05482	5.2
105.03391	0.9
105.07032	2.1
106.04180	2.4
107.04960	4.9
108.02036	0.8
109.06554	0.5
110.03667	2.1
111.04440	0.7
115.05466	5.6
117.07024	8.7
118.04163	1.2
119.04904	0.9
121.06508	3.2
122.03636	0.8
123.03587	0.7
123.04442	8.4
123.05312	0.6
124.05217	2.5
125.05998	1.7
127.05457	1.1
129.06987	0.5
130.04164	0.8
131.04915	3.7
132.05682	0.7
133.02893	0.9
133.06480	1.8
134.03638	1.0
135.04410	1.0
135.08115	0.5
137.02307	0.5
137.05971	3.3
138.03091	1.3
140.04654	0.8
142.02579	1.4
143.04919	1.2
144.08087	0.5
145.02921	0.4
145.06497	12.0
146.03656	0.5
147.04443	0.6
147.08057	1.3
148.05199	1.3
149.05980	3.8
151.03902	2.1
151.07558	1.2
152.04665	2.5
153.05472	1.8
155.06046	6.9
155.07176	0.8
159.04428	1.0
159.08121	0.5
160.05238	0.7
161.06001	2.4
162.03064	0.7
163.03893	1.0
163.07523	1.7
165.05493	1.4
167.07047	100.0
168.07401	1.1
171.06538	2.1
173.05998	20.8
174.06645	0.7
175.07550	1.7
176.04727	0.6
177.05510	4.4
179.07043	1.4
181.04965	55.1
181.08495	1.4
182.05339	1.2
190.06314	0.6
191.07060	8.0
192.07806	0.6
193.04959	0.7
193.08600	1.0
195.06543	1.2
203.07036	2.5
205.06789	0.8
205.08615	6.1
207.06587	1.0
207.10081	0.8
209.08093	3.8
217.05023	0.5
217.08612	1.1
219.06429	0.6
219.08374	0.5
219.10248	1.0
220.07344	0.6
221.08083	0.6
225.07632	1.2
231.06451	1.0
233.08083	7.0
235.07523	0.6
235.09671	6.8
249.05460	0.6
251.06863	0.6
263.09219	1.2
265.08698	0.5
267.06635	0.6
271.09351	0.5
279.10025	0.6
282.09119	0.5
293.08109	0.9
294.09085	0.5
297.11215	1.0
297.83243	0.5
310.08392	0.6
313.10843	0.5
325.10815	1.9
326.11658	0.8
329.13998	0.5
353.10202	1.2
357.13345	7.2
367.11948	0.7
370.10361	0.6
381.13525	0.8
385.12830	33.1
386.13287	1.3
387.14368	5.5
399.14423	1.2
415.14117	1.1
417.15506	14.4
481.11273	1.3
594.88794	0.5
643.23853	40.5
644.24005	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72641	0.5
51.02375	0.9
53.03927	1.6
55.01860	1.2
57.03423	0.7
58.35660	0.4
65.03947	3.7
67.05491	1.0
69.03419	1.2
69.47675	2.3
71.04998	3.7
78.04713	3.4
79.05502	2.4
80.59872	0.4
81.03395	1.3
81.07034	0.5
82.04176	1.1
82.62534	0.5
85.02902	7.3
89.03902	0.6
91.05479	3.8
93.03416	1.3
93.07056	1.0
95.04948	2.1
96.05764	0.4
97.06522	1.6
103.05466	3.9
105.03381	0.7
105.07056	0.8
106.04160	1.7
107.04967	4.4
109.02827	0.6
110.03648	1.4
111.04440	0.9
115.05449	6.2
117.07024	8.6
119.04932	0.7
121.02846	0.7
121.06497	2.1
122.03617	0.7
123.04427	9.2
124.05212	2.4
125.05991	1.1
127.05402	1.6
129.05453	1.2
129.06999	0.6
130.04134	0.6
131.04945	3.4
132.05724	0.5
132.13692	0.5
133.02843	0.8
133.06502	0.8
134.03624	1.1
135.04436	1.4
137.02290	0.8
137.05962	1.9
138.03119	1.2
140.04651	0.7
142.02620	1.0
143.04849	0.9
144.05730	0.9
144.08092	1.4
145.06494	12.8
147.04417	1.0
147.08090	1.0
148.05197	1.0
149.05992	2.9
151.03914	1.6
152.04700	2.1
153.01834	0.9
153.05481	10.4
155.04866	0.7
155.06042	6.9
155.07178	0.7
159.04373	1.5
160.05174	0.6
161.05998	1.2
163.03899	1.7
163.07574	0.8
165.01849	0.8
165.05463	1.0
167.07047	100.0
168.07417	1.5
171.06557	1.6
173.05994	22.0
175.07509	1.3
177.05492	3.6
181.04962	46.2
187.07500	0.5
191.07037	4.3
193.05058	0.8
195.06549	2.2
201.05461	1.3
203.07034	1.4
205.08606	5.9
207.06447	1.0
207.10210	0.5
209.08061	2.6
219.08232	0.6
219.10178	0.4
221.07936	0.5
223.07567	0.5
223.21251	0.4
229.04948	0.7
231.06512	0.8
233.08083	6.3
235.07532	0.8
235.09656	6.7
251.06854	0.6
257.04446	0.5
265.08640	0.9
283.09937	0.6
285.03784	0.6
294.08694	0.8
297.11264	0.7
303.05014	30.5
304.05341	0.8
307.09583	0.7
310.08405	1.4
315.04944	0.5
315.08463	0.6
325.10727	1.3
329.13660	0.5
340.24130	0.5
342.10989	0.6
353.09924	0.8
353.18600	0.7
354.10928	0.7
357.13321	5.9
371.15234	0.5
385.12817	32.7
386.13434	1.8
387.14377	6.9
388.15030	0.6
417.15448	13.5
417.20953	0.8
449.10742	0.5
622.88745	0.6
643.23840	34.8
644.24091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01866	1.9
55.05512	11.4
57.03431	4.3
57.07080	30.5
59.21230	1.2
60.21153	1.1
65.03928	2.6
67.05508	32.2
69.07072	15.3
69.24691	3.6
69.25117	7.8
71.04976	2.6
71.08298	2.1
71.08638	20.9
79.05067	1.9
79.05493	19.9
81.03423	2.2
81.06597	2.3
81.07059	34.6
83.04978	6.9
83.08622	11.5
85.10191	10.4
91.05488	13.1
93.07042	20.6
95.04955	7.2
95.08619	25.2
97.06516	3.6
97.10162	4.8
99.08073	3.6
105.07024	6.9
107.08602	10.6
107.82970	1.2
109.06510	1.9
109.10167	8.4
111.08098	2.1
117.07018	5.4
119.08557	5.6
121.10152	5.5
123.08088	1.4
123.11711	5.1
129.07008	1.5
131.08557	5.7
133.10103	5.0
135.11676	3.5
145.10143	1.5
147.11693	2.1
149.13275	7.8
151.11153	4.6
159.11668	5.4
161.13225	2.1
163.11179	2.7
177.12799	2.0
179.14305	1.4
195.13818	3.5
239.23727	4.4
244.58591	1.2
251.16426	2.0
259.20547	1.8
269.17548	8.5
277.21643	6.5
303.88663	1.3
313.27383	27.5
327.56750	1.5
341.26724	1.4
351.25305	7.9
416.77002	1.5
507.40475	100.0
508.41058	3.4
589.48419	5.9
614.87445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.9
52.01573	2.2
53.03944	8.2
55.01878	17.2
55.05513	63.7
55.64455	2.1
57.03441	15.1
57.07082	4.6
57.60804	2.4
59.04982	3.1
60.77677	2.2
65.03932	7.2
67.05508	98.5
69.03423	9.3
69.07070	47.6
69.33527	16.5
71.05000	19.2
77.03953	2.5
79.05495	100.0
81.03410	9.3
81.07058	97.3
83.04974	12.8
83.08621	30.1
85.06560	4.6
91.05488	82.9
93.07048	78.4
95.04982	15.2
95.08611	54.1
97.02884	4.4
97.06555	14.4
97.10170	37.4
99.08084	5.6
100.74250	2.7
103.05463	4.0
105.04546	3.6
105.07038	80.5
107.04955	13.2
107.08595	56.5
109.06515	8.5
109.10158	30.7
111.04436	4.6
111.08080	10.0
115.05461	6.1
117.07021	36.5
119.08582	61.6
121.06548	5.7
121.10143	28.1
123.08073	9.2
123.11732	11.9
125.09642	31.5
128.06223	7.7
129.07018	23.4
130.07805	4.3
131.08565	45.6
132.21902	2.3
133.06508	3.6
133.10144	49.9
135.08081	14.3
135.11720	19.8
137.09573	6.8
141.06990	8.4
142.07806	4.6
143.08575	30.5
145.06573	2.8
145.10127	42.5
147.08055	7.5
147.11696	31.8
149.09622	10.0
149.13251	11.9
151.11171	5.4
153.06999	3.7
154.07764	2.6
155.08591	15.6
157.06508	2.5
157.10133	24.1
159.08089	5.3
159.11694	27.1
161.09660	7.3
161.13254	27.7
163.11240	9.8
163.14796	3.3
165.07028	4.8
167.08621	5.8
168.09296	4.6
169.10168	18.3
171.10271	4.6
171.11676	25.2
173.09604	5.0
173.13264	19.0
175.11272	5.3
175.14755	11.0
177.09099	2.9
177.12720	4.5
179.08516	5.4
181.10097	8.4
183.11707	15.5
185.13272	18.8
187.11124	3.5
187.13263	3.5
187.14815	5.1
189.03978	2.5
189.11247	14.6
189.12772	4.0
193.10152	5.7
195.11707	14.1
195.13503	3.2
197.13306	14.3
199.14845	10.4
201.16443	3.5
201.31625	2.4
203.14148	2.6
207.11618	4.8
209.13275	5.5
211.14845	8.4
213.16452	7.9
221.13261	4.3
223.13025	13.0
223.15166	3.7
225.16374	5.7
227.12772	26.6
227.17900	5.7
231.21111	4.7
235.14815	3.7
237.16426	4.2
239.18010	4.8
241.19543	23.3
243.15981	2.5
243.20895	3.1
251.18092	3.1
255.17789	3.1
257.19073	7.6
259.20618	45.0
261.18582	3.6
271.20633	3.6
273.18463	12.0
275.20056	35.0
277.21671	4.4
285.22220	6.0
289.17990	8.1
291.19534	80.1
292.19308	2.5
315.23175	3.8
331.22900	2.8
333.24240	28.9
335.25830	8.9
337.25317	2.4
349.19855	3.4
349.23715	4.8
363.26633	6.9
365.23260	32.2
379.29929	8.3
381.27878	4.2
397.30661	4.8
435.32681	3.0
437.30435	3.8
455.31030	2.8
509.36234	2.6
511.34113	8.2
513.36566	6.1
520.55188	3.3
525.36432	2.9
529.35193	9.7
531.37903	8.2
543.36505	8.4
549.39380	11.9
595.43134	3.8
605.41803	16.7
609.45178	6.4
623.28290	5.6
623.43011	82.4
641.38867	85.5
642.40363	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.5
53.03941	9.1
54.80598	2.4
55.01867	15.5
55.05514	45.3
57.03444	16.8
57.07076	5.9
63.78182	2.3
65.03945	7.6
67.05508	91.1
68.99789	4.6
69.03421	6.3
69.07074	35.6
71.04989	8.6
71.08611	3.1
71.86783	2.4
77.03913	3.2
79.05499	84.3
81.03421	8.3
81.06592	5.3
81.07060	100.0
83.04545	2.7
83.04977	14.0
83.08630	23.4
85.06529	5.9
86.09724	3.9
91.05486	85.2
93.06488	4.9
93.07048	84.3
95.04983	20.3
95.08612	65.1
97.02888	5.3
97.06534	11.4
97.10172	10.3
99.08206	2.5
100.11257	15.9
101.11578	8.1
103.05473	3.3
105.04506	7.0
105.07038	71.2
107.04958	20.3
107.08599	51.0
109.06507	11.5
109.10158	33.5
111.08095	9.7
113.06012	4.1
113.42704	2.7
115.05434	3.6
117.07013	29.6
119.04924	4.0
119.07809	5.0
119.08585	54.0
121.06467	14.4
121.10133	26.9
122.07347	2.7
123.04474	3.3
123.08087	7.6
123.11737	7.0
125.05923	3.1
125.09626	4.4
128.06241	7.0
129.07016	25.0
131.08586	50.0
133.06554	12.7
133.10136	48.6
135.08084	11.3
135.11702	16.5
137.09604	7.8
139.07552	5.0
141.07001	8.7
142.07797	4.0
143.08591	27.8
145.06487	6.8
145.10136	46.3
147.08073	14.3
147.11690	28.3
149.09653	9.6
149.13243	7.5
151.07416	2.8
151.11206	12.3
153.83350	2.9
155.08595	11.2
157.10110	26.0
159.08028	4.7
159.11723	26.0
161.09644	10.3
161.13261	13.9
163.07588	3.4
163.11243	6.4
167.08614	5.0
169.10120	15.8
171.08017	3.7
171.11713	21.1
173.09689	6.9
173.13326	12.0
175.11223	6.4
175.14879	7.2
177.12817	3.7
181.10147	6.3
183.11670	13.7
185.13313	16.3
187.11168	4.8
187.14828	8.1
189.12767	3.8
190.59558	2.8
191.14406	2.5
193.10265	3.1
195.11703	9.5
197.09616	3.8
197.13264	10.4
199.14851	8.7
201.16409	2.8
203.14389	2.7
209.13332	9.8
211.11156	3.2
211.14833	5.1
213.16467	5.7
221.13290	3.2
223.14847	5.5
227.12665	3.3
227.17885	2.9
233.13185	2.7
233.15347	4.6
235.11250	2.7
235.14857	3.5
237.16649	2.8
241.19527	9.2
253.14212	17.3
257.19101	4.1
259.20609	22.8
271.17014	3.4
273.18573	14.1
275.20078	9.6
289.18011	8.7
291.19543	15.3
307.19327	3.4
313.21512	3.8
315.23343	4.6
321.22394	2.7
327.22961	2.9
333.24234	14.0
335.25845	3.3
363.21750	3.6
365.23239	14.1
395.29636	3.2
407.29272	5.2
409.31009	10.1
427.31732	3.4
455.31497	4.6
483.34705	4.2
484.62711	3.0
487.34155	19.7
488.33600	2.6
501.35916	18.4
503.37570	7.1
511.33820	7.2
513.37268	5.8
525.35028	3.6
529.35040	8.2
531.38318	9.0
543.36633	8.1
549.39319	8.0
567.40442	7.6
595.29968	2.6
595.40601	10.4
605.42273	12.1
613.44055	10.3
623.43103	50.8
641.41650	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01870	1.4
55.05275	0.5
55.05517	7.1
57.03437	1.1
65.03957	0.6
67.05511	11.3
69.03427	1.1
69.07080	5.1
69.20804	4.8
71.05005	1.2
79.05503	9.4
81.03440	1.1
81.07060	10.3
83.04987	1.8
83.08615	3.3
83.35917	0.4
85.06549	0.7
89.06077	0.7
91.05489	9.5
93.07051	7.8
94.51311	0.5
95.04986	1.3
95.08608	6.7
97.02901	1.0
97.06549	1.5
97.10173	3.8
97.22426	0.4
105.07040	8.3
107.04980	1.3
107.08614	5.9
109.06519	1.1
109.10175	2.8
111.08100	0.7
115.05522	0.5
117.07040	4.1
118.07751	0.5
119.08596	6.6
121.06556	0.6
121.10165	3.5
123.08051	0.8
123.11706	1.4
125.09649	2.9
128.06232	0.7
129.07008	1.9
131.08600	4.9
133.10130	4.3
135.08060	1.8
135.11708	2.0
137.09546	0.6
141.06982	0.7
143.08545	2.2
145.06599	0.5
145.10158	4.5
147.08080	0.7
147.11690	2.9
149.09642	1.0
149.13290	0.6
155.08583	1.2
157.10135	2.2
159.11693	2.9
161.09622	0.7
161.13312	2.5
169.10150	1.9
171.11687	2.2
173.13283	1.9
175.14842	1.3
177.12773	0.7
181.10245	0.8
183.11766	1.2
185.13312	1.9
189.11275	1.7
193.10185	0.7
195.11774	0.6
197.13225	1.3
199.14880	0.6
209.13264	1.3
211.14967	0.8
222.80728	0.5
223.13208	1.2
227.12767	2.3
241.19548	1.5
257.18967	1.3
259.20618	3.0
273.18558	0.6
275.20114	4.4
289.18036	0.7
291.19565	8.0
315.19376	1.3
333.24323	2.0
335.25647	1.0
349.19904	4.1
349.23584	0.9
363.26752	0.6
365.23383	2.5
489.37225	0.6
543.36658	1.1
549.39679	0.7
605.42316	1.4
623.43048	8.3
632.50128	0.6
641.40198	100.0
642.40393	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	641.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01873	1.1
55.05514	4.5
57.03437	0.8
60.41338	0.5
64.08389	0.4
67.05134	0.6
67.05502	9.5
69.03418	1.0
69.07065	3.7
69.92204	1.0
69.92613	1.6
71.04994	1.6
71.08614	0.5
79.05500	7.9
81.03430	1.0
81.07051	8.8
83.04991	1.6
83.08630	2.5
85.06542	0.7
91.05482	6.5
93.07047	7.1
95.04978	1.9
95.08612	6.0
97.02867	0.6
97.06557	1.3
97.10166	2.7
98.21404	0.8
105.07037	6.3
105.75169	0.4
107.04964	1.0
107.08600	4.7
109.06503	1.2
109.10172	3.3
111.08105	0.7
117.07011	2.8
119.08588	5.9
121.06499	0.6
121.10138	2.3
123.08110	0.8
125.09639	1.8
129.07013	2.5
131.08585	3.3
133.10143	3.3
135.08049	0.8
135.11700	1.7
137.09583	0.5
141.07037	0.9
143.08588	1.9
145.10141	3.0
147.08055	1.0
147.11716	2.7
149.09567	0.8
149.13249	0.7
155.08586	1.2
157.10130	1.7
159.08051	0.5
159.11697	2.8
161.09662	0.8
161.13284	1.3
169.10081	0.8
171.11731	1.7
173.13261	1.1
173.25807	0.5
175.14868	1.0
177.12776	0.4
179.14378	0.6
183.11746	1.0
185.13232	1.2
187.14813	0.9
189.11230	1.0
195.11772	0.9
197.13356	0.9
201.16357	0.5
203.14404	0.5
215.14272	0.4
217.15894	0.4
223.13272	1.0
227.12831	2.0
239.17867	0.6
241.19562	1.1
249.16441	0.5
257.19058	1.0
259.20642	3.0
273.18427	0.7
275.20071	3.4
277.43823	0.5
289.17990	1.0
291.19510	5.5
291.22501	0.6
315.19327	1.4
333.20215	0.4
333.24335	1.7
335.25821	1.6
349.19882	4.7
349.23721	0.8
363.26819	0.7
365.23367	1.7
391.48538	0.5
529.35358	0.8
543.37146	0.6
605.41833	1.2
623.43109	5.8
641.40192	100.0
642.40430	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	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.6
55.01891	10.7
55.05517	41.8
57.03441	15.1
65.03949	6.2
67.05514	79.8
69.03431	17.4
69.07068	25.5
71.05006	13.3
73.02934	8.0
79.05511	60.4
81.03429	100.0
81.07062	95.6
81.44341	5.2
83.04995	64.6
83.08620	25.1
85.02918	20.6
85.06537	6.5
91.05484	53.0
93.07049	62.9
95.04988	32.7
95.08614	30.3
97.02904	18.8
97.06539	24.0
97.10160	5.9
99.04482	12.0
99.08168	6.5
105.07054	36.3
107.04972	13.7
107.08620	35.8
109.02908	16.5
109.10172	14.5
111.04462	15.9
111.08086	13.6
112.56709	4.8
117.07034	11.6
119.08606	22.8
120.08991	4.8
121.06503	8.2
121.10189	15.3
122.10487	5.7
123.08086	8.7
125.09702	5.2
127.03924	11.4
129.05499	20.7
129.07002	11.9
131.08575	28.3
133.06506	5.8
133.10159	22.4
135.11731	12.9
143.08575	7.5
145.10103	8.2
147.11694	17.3
149.09641	6.9
149.13277	18.4
157.10150	8.8
159.11717	12.8
163.11235	6.8
165.09094	7.9
175.11218	12.6
177.12778	5.5
191.10703	7.3
193.08632	10.5
193.12286	36.4
195.13835	14.9
211.13339	55.8
227.12849	15.2
267.15930	27.5
269.17551	37.9
283.15588	5.4
285.17020	11.2
293.93741	5.4
413.21805	5.6
429.20688	5.3
435.27481	7.3
461.29041	42.4
479.30148	43.5
528.89069	5.3
605.33197	6.4
623.33954	29.0
641.33936	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	641.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.7
55.01871	8.1
55.05515	31.4
57.03435	12.4
59.04977	3.5
60.76131	2.3
65.03935	7.2
67.05507	97.2
67.59708	2.1
69.03433	24.0
69.07069	14.1
69.45506	10.4
69.45918	4.5
70.10838	2.3
71.04995	48.4
76.02142	2.0
79.05501	42.6
81.03421	100.0
81.06590	4.0
81.07059	53.7
83.04980	27.8
83.08612	22.9
85.02912	27.1
85.06525	5.2
91.05485	60.6
91.06028	4.4
93.07046	42.1
95.04980	27.8
95.08611	23.2
97.02889	17.3
97.06535	14.6
97.10168	8.1
99.04467	7.9
99.08117	4.3
105.04520	3.6
105.07027	26.3
106.07323	2.6
107.04955	9.2
107.08614	20.5
109.02885	15.1
109.06522	7.9
109.10164	46.5
111.04466	11.8
111.08077	10.3
113.05965	3.3
115.05523	2.6
117.07026	6.9
118.63121	2.5
119.05014	2.6
119.08579	30.3
121.10166	16.3
123.04430	4.6
123.08079	3.3
123.11732	3.1
123.83769	2.2
125.05994	2.6
125.09650	5.3
127.03918	11.2
129.05495	7.5
129.07025	9.3
131.08588	14.4
133.06505	6.7
133.10132	16.8
135.11691	14.6
137.09605	18.4
143.08524	2.5
145.06540	2.4
145.10139	6.3
147.08122	3.7
147.11707	14.7
149.09622	5.3
151.11143	4.9
153.05443	2.5
153.12708	2.3
155.10660	6.6
157.10141	11.7
158.96753	2.3
159.11739	3.0
161.09669	4.0
163.03947	3.2
163.11197	12.9
165.12767	4.7
169.06381	2.3
169.10130	2.7
169.12241	4.0
173.04463	8.4
173.11780	14.6
175.11264	11.9
175.12613	2.2
179.10707	2.4
181.12212	7.6
187.11168	2.2
187.13280	3.8
193.12244	36.2
203.14371	3.0
205.12042	2.6
211.13290	61.7
223.11552	2.5
227.12712	2.6
229.14404	2.4
235.13576	2.4
243.15849	5.0
253.14349	2.7
267.15836	14.7
269.17270	2.3
273.43631	2.3
285.17010	6.8
301.14319	4.0
319.15445	4.2
325.16467	7.3
351.17874	2.8
355.17535	2.5
381.18988	5.9
393.18750	2.8
403.24963	3.5
413.21823	3.5
421.25839	17.0
429.26523	3.9
439.26971	17.1
447.27383	14.9
453.28458	14.0
461.28860	3.3
463.26624	3.2
465.28537	7.2
479.29755	7.5
497.31161	13.0
527.88312	2.3
543.36438	7.9
591.31757	3.6
609.32849	12.2
623.32916	9.8
641.34766	53.8
641.45917	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03943	0.6
55.01864	0.6
55.05497	1.5
58.66599	0.3
65.03946	0.5
67.05506	3.5
69.07069	1.4
71.08630	0.7
71.38525	0.6
76.79277	0.3
79.05492	3.3
81.03420	2.0
81.07059	3.8
83.04976	0.7
83.08603	1.0
91.05486	3.0
93.07053	3.1
95.04964	1.5
95.08627	2.1
97.06549	1.0
97.10200	0.5
99.08079	0.5
105.06438	0.4
105.07028	2.8
107.08595	2.4
109.06488	0.5
109.10172	1.2
112.63586	0.4
117.07028	0.9
119.08573	2.0
121.10152	1.0
129.06999	0.8
131.08601	1.3
133.10162	1.8
135.11661	1.0
145.10124	1.1
147.11694	1.5
149.02303	0.4
149.09671	0.9
151.11156	0.6
159.11732	0.6
161.13298	0.6
163.11261	0.5
179.14351	1.5
183.09032	0.4
185.13332	0.4
193.05014	0.4
275.20029	2.6
277.21790	1.3
349.23755	1.0
379.19348	0.8
391.19211	1.2
392.20407	0.4
393.21097	1.9
395.22382	0.6
405.16687	2.8
406.17752	1.2
406.22235	0.7
407.17819	0.7
407.22708	4.0
408.23181	0.5
411.21497	0.4
419.18527	3.2
420.19064	1.8
421.20282	4.1
422.21082	0.6
423.21857	1.0
433.20392	4.5
434.21317	4.1
435.22037	7.0
436.22549	1.2
447.22079	1.5
448.18292	0.8
449.19495	7.6
449.24698	0.5
450.20755	0.8
461.18921	0.5
463.21161	3.1
464.22156	1.4
465.19125	0.7
467.24738	1.0
468.25168	0.6
475.21298	0.5
477.22678	1.1
479.20520	0.9
480.21082	0.5
481.22333	2.5
489.22806	0.5
493.21442	1.9
494.23062	3.2
495.23676	3.0
506.22610	0.4
507.23923	1.5
509.25391	0.5
521.25836	9.6
523.27045	0.7
535.23553	0.5
539.22284	0.8
543.36676	4.3
549.24988	1.1
553.25299	0.7
563.26654	0.7
581.27692	18.2
582.28253	0.7
609.26666	0.5
623.42633	1.3
641.29688	100.0
642.29156	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83593	1.8
53.03944	3.3
54.41217	1.8
55.01871	4.2
55.05515	23.4
57.03437	9.9
57.07080	47.6
60.37351	1.9
66.16171	2.0
67.05509	52.1
69.03408	4.4
69.07069	23.0
71.01421	1.6
71.05010	1.9
71.08640	31.6
71.40678	3.4
79.05498	35.4
81.03425	3.7
81.07063	67.7
83.04977	9.5
83.08615	18.6
85.06559	3.9
85.10197	18.1
91.05488	34.4
93.07047	41.2
95.04984	7.2
95.08605	41.9
97.06537	7.9
97.10160	11.1
99.08097	3.1
105.07037	25.2
107.04953	3.6
107.08583	21.7
109.06509	5.4
109.10158	19.8
111.08088	4.7
111.11731	1.9
115.05477	2.2
117.07015	14.1
119.08578	19.5
121.06479	2.4
121.10146	12.5
123.08089	3.6
123.11714	7.6
125.09602	3.1
129.07022	4.0
131.08565	11.8
133.10149	16.7
135.08049	5.3
135.11714	12.7
136.32526	2.0
137.09590	2.1
137.13290	2.7
143.08524	3.4
145.10115	10.1
147.11687	8.2
149.09621	7.1
149.13274	10.8
157.10086	4.4
159.11697	10.1
163.11183	4.2
165.12859	2.1
171.11664	2.3
173.13321	2.3
177.12770	4.5
183.11641	2.3
195.13765	5.0
217.16037	2.2
217.64226	1.8
239.23814	4.1
247.20576	2.2
251.16451	2.0
255.15907	15.8
257.18991	10.1
267.15881	2.0
269.17487	19.0
275.20026	27.5
293.21167	3.6
313.27362	75.5
349.23718	13.0
350.23810	2.0
427.14786	1.8
493.38895	18.5
507.40475	100.0
547.43494	2.9
587.46564	10.8
605.47668	3.1
641.25165	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01873	3.0
55.05517	25.2
56.27664	0.8
57.03435	3.5
57.07082	13.5
59.12802	0.8
65.03945	1.0
67.05511	21.5
69.03428	2.4
69.07069	8.0
71.08637	9.3
71.49358	1.2
71.77963	0.8
71.84469	0.7
77.36520	0.8
79.05499	19.2
81.07058	17.4
83.04984	2.6
83.08630	13.7
85.06551	1.3
85.10192	5.9
91.05486	10.8
91.48401	0.8
93.07050	8.5
95.04974	0.8
95.08615	10.4
97.09551	1.6
97.10173	29.3
99.08078	0.9
105.07048	8.8
107.04991	1.3
107.08596	27.0
109.10171	8.6
111.08089	1.6
117.06998	2.9
117.62382	0.7
119.08591	4.2
121.10168	2.8
123.11732	1.9
125.09637	27.6
131.08569	3.5
133.10176	5.0
133.11116	0.8
135.07137	1.1
135.08052	4.5
135.11678	1.2
139.39952	0.8
143.08582	1.6
143.10693	1.8
145.10153	6.0
147.11697	3.8
149.09599	2.9
153.09148	2.3
157.10101	1.2
159.11723	3.6
163.11172	0.9
171.10170	3.3
171.11636	1.4
173.13200	1.3
175.01208	0.8
189.11246	16.9
227.12796	100.0
239.17920	2.8
239.23756	0.8
257.18997	5.1
275.20096	19.9
293.20956	1.0
313.27365	32.1
331.22665	3.1
349.23746	19.7
483.36996	8.9
569.45508	1.2
587.46790	20.5
630.31189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03951	9.2
55.01872	6.9
55.05517	19.2
57.03446	9.4
57.07074	2.1
65.03932	4.6
65.14171	1.4
67.05510	76.4
69.03432	22.1
69.07076	20.2
69.22469	1.6
71.01337	3.4
71.04996	42.7
75.64204	1.5
78.09624	1.4
79.05495	50.1
81.03423	54.2
81.07059	100.0
83.04990	18.6
83.08629	17.5
85.02898	8.4
85.06538	6.6
91.05486	49.2
93.07047	50.0
93.07635	2.2
95.04958	12.7
95.08606	25.5
97.02898	11.1
97.06532	12.4
97.10188	4.2
99.04456	5.9
99.08080	3.8
105.04529	3.3
105.07044	23.6
107.04977	7.1
107.08601	34.0
109.02885	15.6
109.06539	5.7
109.10149	10.8
111.04445	6.3
111.08108	7.8
113.06024	2.2
115.05434	2.6
117.07015	13.5
119.08585	11.1
121.06506	4.1
121.10151	15.5
123.08044	3.1
123.11714	9.9
125.09640	5.7
127.03915	9.4
129.05434	2.5
129.07031	6.0
131.08562	16.1
133.06526	1.8
133.10123	20.9
135.04477	1.9
135.08037	2.8
135.11674	10.0
142.22969	1.7
143.08575	3.5
145.10132	6.1
147.04416	1.7
147.08047	2.0
147.11658	12.4
149.09634	3.3
149.13290	24.0
151.11192	7.2
153.12749	1.5
157.10146	4.5
159.08192	1.8
159.11714	16.3
161.13284	3.1
163.03853	2.2
163.11171	4.5
165.12843	2.5
173.04456	11.4
173.09647	2.4
175.11212	3.6
177.12750	8.8
179.14302	1.5
183.13799	5.9
185.13297	1.9
187.13330	8.9
191.10681	1.5
193.12277	6.0
193.52696	1.4
195.13817	13.7
201.14856	5.0
207.13899	2.4
209.11720	2.3
211.13228	1.9
213.14845	3.3
227.12762	3.2
229.14410	2.8
247.27112	1.6
249.14827	1.9
257.17538	3.1
267.15942	3.7
269.17429	10.6
283.15503	4.4
283.19046	4.1
299.54718	1.7
303.15887	2.4
339.18024	6.8
377.19223	1.8
393.47733	1.7
395.20593	5.4
419.27490	1.9
427.23532	2.7
432.54907	1.7
437.29080	21.4
451.30612	9.9
453.31946	3.2
463.30566	6.6
477.28375	5.2
495.32867	6.1
541.00677	1.5
563.31268	2.3
607.34778	12.0
639.37256	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.6
55.01863	7.2
55.05513	22.3
56.48959	1.9
57.03435	7.9
57.07062	2.6
59.04971	1.6
65.03941	3.9
67.05508	77.1
69.03432	17.6
69.07072	19.0
69.21519	4.3
69.21929	12.4
71.01366	2.1
71.05000	34.8
71.38094	1.5
75.11309	1.8
79.05498	44.1
81.03421	47.4
81.07059	100.0
83.04976	15.8
83.08627	16.3
85.02894	7.3
85.06528	10.9
91.05485	46.3
93.06487	3.2
93.07050	51.5
95.04965	10.2
95.08615	22.2
97.02900	14.6
97.06536	8.8
97.10163	4.2
99.04435	5.2
99.08063	3.4
105.07021	20.2
107.04960	6.5
107.08616	26.0
109.02889	13.6
109.06516	6.0
109.10152	8.2
111.04463	9.4
111.08078	5.4
117.07035	12.7
119.08574	10.4
121.06499	4.5
121.10153	13.4
123.11761	8.1
125.09633	4.2
127.03908	8.5
128.06102	1.8
129.05466	2.8
129.07018	2.5
131.08540	12.6
133.10129	18.2
135.08044	3.2
135.11655	11.4
143.08524	2.9
145.06456	1.9
145.10132	3.1
147.04399	2.4
147.08005	2.0
147.11688	7.0
149.09612	4.2
149.13287	17.6
151.11168	5.4
157.10149	5.1
159.11702	11.7
163.03923	2.0
163.11186	2.8
165.12737	3.8
165.66594	1.6
171.11780	2.3
173.04469	9.7
173.05846	1.9
173.09642	2.8
173.11734	2.3
175.11197	3.6
177.12747	10.7
177.14081	2.1
183.13831	3.6
183.80231	1.9
187.13307	6.8
193.12257	3.9
195.13817	13.4
197.13432	2.0
209.11668	2.5
211.13147	3.1
213.14890	3.9
227.12697	2.3
253.18114	1.8
269.17508	9.2
275.16437	1.7
285.14603	2.5
321.17087	3.0
334.11926	2.0
339.18073	9.2
377.19870	2.2
395.20630	5.0
427.23578	2.4
435.30881	1.9
437.28915	17.8
451.30408	6.5
453.32330	2.3
477.28375	5.8
495.32840	6.5
545.31256	2.0
607.34918	9.6
639.36938	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	3.3
51.02380	3.3
53.03954	15.6
55.01879	22.3
55.05516	38.7
57.03445	18.5
57.07082	14.6
59.05001	3.1
65.03941	9.3
67.05511	85.8
69.03430	35.2
69.07076	31.8
71.01340	4.0
71.05008	13.5
73.02907	3.1
77.03922	2.2
79.05022	2.7
79.05499	69.3
81.03426	100.0
81.07065	98.4
83.04989	29.0
83.08624	22.0
85.02911	19.0
85.06540	7.3
90.73746	2.0
91.05490	72.6
93.07050	70.7
95.04976	31.7
95.08617	30.5
97.02905	29.1
97.06540	16.5
97.10183	7.4
98.07333	2.2
98.29774	2.2
99.04456	10.9
99.08131	3.7
103.05457	3.5
105.04520	4.1
105.07043	37.7
107.04970	14.4
107.08610	32.1
109.02865	9.9
109.06531	7.9
109.10166	15.4
111.04450	16.2
111.08093	9.6
113.06008	2.5
115.03896	2.8
115.05446	6.1
116.06229	2.2
117.07028	16.4
119.08579	25.5
121.06528	14.3
121.10140	19.5
123.04448	2.9
123.08060	6.2
123.11703	9.4
125.09659	13.6
127.03918	9.2
127.11168	2.8
128.06221	2.4
129.05507	5.7
129.07016	15.1
131.04915	3.5
131.08580	19.9
133.06551	3.3
133.10159	20.8
134.10416	2.4
135.08037	8.3
135.11694	10.8
137.09645	4.4
139.11218	2.8
141.07018	4.0
142.07751	2.6
145.06519	3.2
145.10136	8.8
147.08083	4.8
147.11674	19.6
149.09619	9.9
149.13268	16.6
153.12698	3.9
157.08844	3.5
157.10124	10.4
159.11670	12.3
161.09601	2.6
163.03860	3.4
163.11157	7.9
165.09119	2.9
165.12814	6.8
171.06529	7.0
171.07953	2.9
173.04495	13.7
175.11160	7.1
177.12813	5.9
187.11209	3.0
191.10841	3.3
193.12274	18.8
195.13795	13.8
209.11723	3.7
211.13327	11.5
213.14981	2.5
219.13908	4.8
227.12781	7.1
229.14299	4.6
231.13669	2.6
255.16049	2.5
267.15973	5.6
269.17447	6.2
273.14804	2.6
283.15433	2.8
301.16360	2.5
303.15665	2.7
311.18945	2.4
339.17990	12.2
395.20651	9.1
423.27322	3.2
459.27011	6.3
467.22693	2.7
477.28250	7.4
621.32336	7.2
639.33636	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	639.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01873	6.5
55.05513	18.3
56.02236	0.6
57.03438	8.8
59.04987	0.9
65.03945	3.1
67.05507	26.1
68.23502	0.7
69.03084	1.3
69.03432	13.8
69.07072	6.6
71.04990	5.9
73.02937	0.8
79.05498	28.6
81.03421	100.0
81.07059	31.5
82.03747	1.0
83.04982	20.3
83.08627	19.2
85.02907	20.1
85.06549	3.0
91.05488	37.7
93.07047	22.6
95.04971	28.0
95.08615	9.8
97.02895	13.9
97.06538	6.5
97.10165	5.9
98.21502	2.2
99.04478	3.7
103.05492	1.5
105.04535	1.6
105.07035	24.5
107.04959	8.8
107.08608	11.2
109.02884	17.1
109.06534	5.8
109.10184	4.0
111.01064	0.7
111.04448	12.9
111.08075	9.4
113.06013	1.9
115.05465	2.1
117.07025	3.9
119.04942	0.9
119.08588	19.7
121.06530	4.0
121.10137	10.9
123.04451	2.3
123.08083	3.2
123.11728	2.7
125.05972	1.1
125.09621	4.2
127.03926	8.0
128.06268	1.5
129.05502	1.8
129.07010	10.4
129.78204	0.6
131.04924	1.0
131.08580	12.0
133.06500	5.0
133.10130	12.7
135.04440	0.9
135.08093	2.1
135.11736	1.9
136.08296	0.6
137.06018	0.8
137.09625	1.4
141.07065	0.9
142.07837	2.4
143.08633	1.3
145.06488	2.0
145.10115	3.6
147.04443	1.9
147.08080	3.1
147.11699	17.3
149.06065	0.9
149.09647	7.0
151.07549	1.2
151.11168	1.0
153.12788	3.0
155.08582	1.3
157.06555	1.1
157.10143	13.9
159.08105	0.8
159.11674	0.9
161.06004	1.2
163.03889	3.4
163.11192	5.2
165.05605	0.8
165.07144	1.0
165.12724	5.0
169.10178	0.8
171.08052	1.5
171.11714	1.0
173.04486	1.4
173.05981	2.0
173.09633	1.2
175.07678	1.2
175.11194	12.8
181.06516	0.8
181.12289	3.0
187.03842	1.1
187.07564	0.9
189.11205	1.3
189.12788	1.0
191.10680	3.6
193.12250	43.3
198.06863	0.8
199.03938	1.3
199.11288	0.9
201.05449	1.6
207.13934	0.8
209.11757	1.6
211.13292	59.0
212.13586	1.1
213.05579	1.4
217.05028	1.2
217.12184	0.8
225.05487	1.1
227.07019	1.1
227.12712	4.6
229.12405	0.9
229.14410	2.1
231.13843	1.0
235.13374	1.3
249.14864	1.7
255.14067	1.1
265.14389	0.8
267.13901	1.0
267.15991	20.2
273.14954	2.0
283.13043	1.2
283.15723	1.3
285.16983	11.8
301.14331	3.3
303.16101	0.9
311.12842	1.9
313.16782	1.1
319.15509	2.2
337.16571	2.6
355.17499	4.6
367.22784	1.9
375.18140	1.1
385.23801	2.7
393.18988	1.7
411.20190	5.7
429.19669	3.2
459.27551	6.9
475.26837	0.7
477.28354	8.7
495.29675	11.7
501.27744	0.9
519.29810	1.2
565.27905	1.3
585.30304	1.2
603.31403	2.5
621.32434	8.7
639.33716	40.7
640.33868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	2.0
64.46089	1.0
67.05504	2.5
69.07064	1.0
71.50509	1.5
81.07058	2.2
85.10196	1.1
92.86602	1.0
93.07052	2.3
95.02681	1.0
95.08621	1.4
105.07037	1.7
109.10170	2.0
119.08604	1.7
121.10137	1.6
123.89279	1.0
131.08554	1.0
286.46506	1.0
358.31274	1.1
361.16766	1.2
404.20309	2.3
405.20792	7.8
417.21072	1.2
419.22595	4.5
420.23215	3.4
421.23972	1.2
431.22757	1.2
433.23972	4.1
434.24832	1.8
435.18250	1.5
435.25720	1.1
447.21960	4.5
449.19824	3.9
450.20212	2.3
461.23593	1.3
463.21646	2.2
464.22238	3.4
465.22931	3.5
467.37534	2.2
477.23032	2.2
479.17593	2.0
479.24463	31.4
491.24655	1.2
492.25296	2.2
493.25681	5.1
505.26300	1.5
519.23621	1.4
537.24335	1.0
547.27142	4.6
551.26373	10.2
561.24774	1.1
564.27771	1.6
565.28009	4.6
566.28857	13.8
579.30017	12.2
580.30707	1.8
639.31793	100.0
640.32202	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01866	2.9
55.05511	5.8
57.03422	1.4
67.05506	13.0
69.03421	1.9
69.07068	4.8
71.04988	2.5
71.49821	1.8
79.05496	11.1
81.03401	2.6
81.07056	10.7
83.04978	1.8
83.08622	3.4
91.05480	12.3
93.07037	10.6
94.06588	1.6
95.04982	2.5
95.08605	8.6
97.02859	1.1
97.06523	1.3
97.10146	1.8
105.07019	8.9
107.04949	3.3
107.07381	1.5
107.08570	6.7
108.08128	1.4
109.06510	2.9
109.10144	3.7
115.05486	1.2
117.07018	4.2
118.06510	1.1
119.08591	6.1
120.04457	2.9
120.08109	7.1
121.10163	2.9
122.09674	2.0
123.08057	1.6
125.09636	1.2
129.07039	3.5
131.08572	4.6
133.10088	5.2
135.08083	2.1
135.11728	2.7
137.09564	1.0
141.06949	1.6
141.75150	1.2
143.08568	3.2
144.04434	1.4
145.10133	6.5
146.06033	2.0
147.11714	2.9
148.07558	2.6
149.09624	1.1
150.09143	2.2
155.08511	2.4
157.10146	2.3
158.09659	1.3
159.09233	1.6
159.11732	3.5
161.13322	1.4
162.05518	1.1
163.11275	2.3
169.10173	2.7
171.11717	2.5
172.03886	7.3
181.12334	1.3
183.09221	1.6
183.11780	2.5
186.09230	1.3
187.08762	1.2
187.11090	1.3
197.10748	2.6
204.06569	13.9
209.10844	1.4
210.11618	1.2
211.08731	3.6
212.09491	2.5
223.08778	1.4
223.12468	1.3
225.10251	4.0
227.11746	5.5
235.08672	2.0
236.09525	2.0
237.10283	2.4
239.08218	1.4
239.18077	1.5
249.10158	6.6
250.11162	2.8
251.08229	1.6
251.11807	4.0
253.09779	1.3
253.13405	3.5
259.20526	1.5
261.10269	1.6
263.11798	1.6
264.09094	1.7
265.09555	1.4
267.11310	1.5
273.18597	3.8
275.08069	1.2
275.20117	4.2
277.09644	2.6
279.11334	4.6
285.12442	4.8
291.19580	1.8
298.13278	1.6
299.14157	1.5
301.15701	1.2
307.10965	1.7
309.12634	2.4
311.14075	3.0
313.12286	1.4
314.13019	3.2
315.13687	1.2
325.12210	1.7
326.13065	3.0
326.16913	1.3
327.13617	1.7
328.10934	1.7
328.14548	4.7
330.12350	1.3
338.12970	1.7
338.16611	1.2
339.13727	3.7
340.14658	3.4
341.11688	1.3
341.15369	1.9
342.12463	7.6
342.16245	3.8
343.13159	2.0
349.23721	1.4
351.13574	1.1
354.12442	3.4
354.16336	1.6
355.13211	4.4
356.14041	5.9
356.17831	2.3
357.14978	3.1
358.15726	2.9
364.14719	2.0
366.12280	1.2
367.13501	3.0
368.14142	3.5
369.14420	2.2
370.15494	7.2
371.16440	1.7
382.15634	3.3
383.16522	3.0
384.12943	1.3
384.17203	4.7
401.18170	1.5
405.13455	1.2
410.15057	2.8
412.16559	3.8
414.18356	1.6
416.19934	1.5
419.15067	3.2
420.15735	1.6
426.18164	2.7
429.16272	1.4
430.17569	1.8
431.19308	1.3
433.16663	3.4
434.17578	1.7
435.18268	2.8
442.18051	3.1
444.19241	12.0
447.18314	1.5
449.19394	7.5
463.21240	3.2
470.16934	5.3
472.18604	1.9
490.20297	1.2
491.24774	2.2
502.20169	3.3
503.20883	1.5
504.21567	3.1
533.25415	2.3
551.26532	21.6
579.25977	18.9
589.24664	2.9
607.25586	13.5
607.43433	6.2
611.28632	77.7
612.28815	3.0
621.26709	3.2
621.41406	1.4
639.28174	100.0
639.44843	9.7
640.28369	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
64.90049	0.5
67.05489	1.1
69.07069	0.5
71.41001	0.8
74.74549	0.5
79.05470	0.7
81.07066	0.9
91.05503	0.7
95.86269	0.6
116.05501	0.6
134.93111	0.5
150.03247	0.5
171.53618	0.5
209.10786	0.6
211.12581	0.6
216.36652	0.5
223.12349	0.6
237.13945	0.6
297.16251	0.7
326.16254	0.7
376.17303	0.9
377.17743	3.3
378.18539	1.9
389.18100	1.3
390.18369	2.2
391.19156	6.1
392.19925	3.2
393.21060	1.5
403.19464	1.8
404.20212	2.7
405.20810	11.2
406.21564	5.8
407.22321	16.0
408.22858	1.2
416.20212	0.7
417.20868	1.7
418.21735	1.3
419.22488	5.6
420.23010	5.5
421.17587	1.1
421.23874	21.1
422.18057	1.4
422.24701	3.8
429.21030	1.1
431.22803	1.2
432.23499	0.8
433.24683	4.3
434.18170	0.5
434.24948	2.5
435.18210	2.3
435.25500	1.2
436.19229	2.7
437.19742	0.7
445.20279	2.1
446.20859	0.9
447.21039	1.0
447.26651	1.2
448.26642	0.9
449.19931	2.1
449.27292	1.1
450.20547	1.8
451.21301	16.8
452.21887	5.4
460.22516	1.4
461.23901	2.7
463.21219	2.0
464.22055	1.2
465.22894	23.9
466.23575	2.5
473.19873	1.7
475.20883	1.7
475.26099	0.8
477.22742	1.7
478.23706	2.3
479.24646	1.4
487.21304	2.6
488.22043	2.2
489.22900	1.2
491.20877	2.1
492.21768	2.0
493.26184	3.0
501.22934	2.3
502.23303	1.0
503.24384	16.7
504.24994	1.5
505.22354	0.8
507.27606	12.1
508.28394	3.5
519.24188	1.1
520.24310	0.7
523.23328	4.5
533.25317	1.8
535.19043	0.5
535.27094	18.9
536.27808	1.5
537.25043	12.1
551.26691	6.9
552.27289	21.6
553.27521	0.8
561.25165	5.8
562.25555	1.6
579.26123	11.7
580.26587	4.7
593.27698	1.7
595.29260	8.0
596.29388	0.9
621.27094	20.2
622.27258	1.0
639.28137	100.0
640.28430	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	639.2817
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
50.74344	1.0
53.03956	2.6
55.01877	2.4
55.05522	5.4
57.03431	1.8
57.07058	1.3
58.15934	1.0
65.03943	1.5
67.05512	15.6
69.03428	1.8
69.07067	5.7
69.18889	7.2
69.19302	3.2
71.04998	3.2
79.05499	14.4
81.03436	4.5
81.07065	16.0
83.04967	2.2
83.08627	3.0
85.06548	1.4
91.05496	13.8
93.07056	12.6
95.04989	3.7
95.08615	8.9
97.02925	2.0
97.06528	2.6
97.10188	1.4
105.04559	1.2
105.07037	14.2
107.04964	2.8
107.08616	9.1
108.08115	1.7
109.02885	1.2
109.06532	2.3
109.10177	4.8
111.04488	1.1
116.05042	1.1
117.07022	6.1
119.08615	7.4
120.04512	2.8
120.08109	9.6
121.06568	1.6
121.10183	3.5
122.09705	2.2
123.08115	1.6
125.09644	2.2
129.07034	3.7
131.08595	8.3
133.10165	6.2
135.08089	1.9
135.11687	2.4
137.09706	1.4
143.08597	3.5
144.04448	1.9
145.06447	1.6
145.10184	5.7
146.06073	2.0
147.08072	2.6
147.11714	4.1
148.07600	2.8
149.09694	2.6
150.09213	2.9
155.08580	2.7
156.08058	1.2
157.10139	3.1
158.09741	1.3
159.11748	4.6
161.09715	2.1
161.13228	2.3
163.11238	2.3
169.10155	3.1
171.11700	2.1
172.03961	7.2
173.13246	1.2
174.05589	1.2
183.11737	2.5
185.13229	2.1
195.11790	1.5
197.10841	2.6
197.13229	1.7
199.15004	1.4
204.06589	12.9
211.08751	2.6
219.09335	1.1
223.08714	1.4
225.10304	4.4
225.13956	1.7
227.11739	6.2
235.08789	2.1
237.10323	3.3
239.11856	1.4
247.08643	1.4
249.10251	5.5
250.11041	2.1
251.08112	1.5
251.11955	3.7
253.09726	1.6
253.13397	2.1
255.90845	1.2
257.19165	1.4
261.10373	2.0
263.11893	1.8
264.08740	1.1
265.09821	2.5
273.18549	2.9
275.20175	6.8
277.09738	2.8
279.11420	3.6
281.12906	1.4
285.12543	2.8
291.19699	2.2
298.13266	1.6
307.10953	1.6
309.12473	2.8
311.14023	3.2
313.12601	2.4
314.13107	2.9
315.13834	2.1
323.14371	1.3
325.11823	2.8
326.13043	2.4
327.13806	3.1
328.11035	1.7
328.14615	2.4
330.16101	1.9
331.13983	1.3
339.13483	5.2
340.10873	1.8
340.14700	1.6
342.12457	6.6
342.16089	2.6
343.13254	2.2
353.12848	1.2
354.12479	2.4
355.13058	1.6
356.13760	5.6
356.17813	2.3
357.14737	4.1
367.13266	1.9
368.14069	4.7
369.15018	3.1
370.11646	1.2
370.15506	6.9
371.16391	2.1
382.15787	2.5
383.16507	1.6
384.17361	4.5
396.13556	1.8
398.15195	2.1
398.69321	1.2
410.15042	1.6
412.16656	4.1
419.14868	2.4
426.18008	2.3
430.17743	1.9
433.16574	2.3
435.17960	2.7
442.17661	1.4
444.19348	11.3
447.18491	2.2
449.19647	5.8
461.19449	1.3
463.21262	3.9
464.22128	1.7
465.23236	1.3
470.17288	4.7
472.18869	2.7
477.22974	1.2
491.20319	1.5
502.19775	2.6
504.21753	2.2
519.23871	1.8
521.22064	1.8
533.25629	1.7
551.26593	18.1
561.24792	1.7
579.26001	20.0
589.24255	3.1
593.27032	2.1
607.25769	11.9
607.43658	7.8
611.28668	74.6
612.28815	3.6
621.26996	3.9
621.42004	1.3
639.28180	100.0
639.44580	11.0
640.28326	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	639.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22550	2.3
55.05513	5.1
64.54706	2.5
67.05513	11.2
69.07077	3.3
69.16924	23.5
71.54005	3.0
79.05499	8.4
81.03422	3.0
81.07062	7.6
83.08609	3.1
89.02533	2.5
91.05491	10.0
93.07067	7.4
95.07637	2.5
95.08595	7.0
95.70610	2.3
97.10153	2.9
102.76708	3.0
105.07026	5.4
107.04997	4.2
107.08625	3.8
119.08590	4.3
147.11688	4.4
156.68687	3.3
171.11736	3.3
207.13916	3.3
224.13495	3.0
276.82898	2.6
283.71143	3.1
369.98093	2.6
377.17535	4.3
389.18100	4.4
390.18509	8.7
391.19272	19.9
392.19958	4.5
402.18484	3.0
403.19681	4.4
404.19803	7.7
405.21063	24.7
406.21701	15.4
407.22275	4.7
419.22540	7.6
420.23279	16.3
421.24005	11.7
432.19318	4.5
433.24701	4.8
434.25195	6.8
435.21649	3.6
438.20618	3.1
445.20111	4.7
447.22116	7.2
448.22916	12.2
449.23755	22.6
452.22086	21.4
459.21872	10.6
460.22836	11.9
461.23218	3.5
462.20291	17.2
463.21793	5.3
465.23120	12.5
467.36237	2.5
473.50418	2.5
475.21274	19.5
476.22012	10.1
477.23068	38.0
487.21588	4.2
488.22360	3.8
492.24832	14.0
493.23337	2.3
503.24634	4.9
505.22156	5.4
507.27618	3.9
519.23578	3.5
521.21527	12.5
535.26526	10.1
536.24261	57.8
537.24738	9.4
541.39386	13.1
551.26343	5.4
552.27350	13.1
561.25232	6.2
563.26495	4.4
579.26172	14.2
593.27533	5.2
621.27350	6.5
622.27960	100.0
623.27698	4.0
639.29761	64.4
639.41296	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	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	1.4
55.05516	2.3
57.03441	0.6
57.07059	0.4
59.84202	0.4
65.03955	0.4
67.05512	3.8
69.03438	0.7
69.07082	2.5
71.04994	0.6
71.48571	0.5
76.48100	0.4
79.05502	4.5
81.03439	0.6
81.07064	4.3
83.04995	0.8
83.08623	1.1
91.05492	4.0
93.07061	3.4
95.04977	1.1
95.08613	2.3
97.06528	1.3
97.10199	0.8
105.07043	4.3
106.62170	0.4
107.04989	1.4
107.08613	2.1
109.06536	0.7
109.10156	1.4
117.07036	1.8
119.08601	2.9
121.06541	0.6
121.10168	1.3
125.09652	0.6
129.07066	0.9
131.08598	1.8
133.06514	0.8
133.10172	1.8
142.07851	0.4
143.08617	1.0
145.10173	1.6
147.08054	0.8
147.11703	1.1
149.09634	0.5
149.13451	0.6
157.10178	1.1
159.08057	0.5
159.11748	1.6
163.11176	0.6
169.10190	0.5
171.11765	0.4
173.13181	0.4
179.14394	0.8
183.09094	0.5
183.11685	0.5
191.53027	0.4
193.12354	0.5
196.51004	0.4
211.08762	0.5
225.10353	0.7
227.12531	0.4
237.10217	0.6
239.11974	0.6
245.55325	0.4
251.08258	0.4
251.11899	0.4
257.19077	0.7
273.18573	1.1
275.20123	3.2
291.19498	2.6
291.80524	0.5
293.21140	0.7
294.10333	0.4
340.14566	0.5
342.24146	0.4
391.15521	0.5
392.16623	0.7
393.16962	1.2
393.21283	0.9
405.17365	0.9
406.17783	0.7
407.18698	2.1
417.17020	0.9
418.18283	0.9
419.14505	0.9
419.19220	0.9
420.15167	0.7
420.19983	0.8
421.16223	0.6
421.20468	5.4
422.21042	1.6
423.21838	1.1
431.19186	0.7
432.19922	0.5
433.16019	0.9
433.20758	1.2
434.17242	1.1
435.17297	2.0
435.23022	0.7
436.22983	2.2
445.16989	0.7
447.22427	0.8
448.18469	2.7
449.19711	8.4
450.20566	2.9
451.21246	0.8
459.18179	0.5
460.18759	0.6
461.19952	0.9
462.21216	0.8
463.22034	4.6
464.22217	4.6
465.22852	0.8
473.19678	0.6
474.20920	0.5
475.21594	1.9
477.18857	5.6
478.20004	1.7
479.20883	0.9
487.21844	0.6
491.20624	0.9
492.21646	1.2
493.22473	0.6
504.21750	0.5
505.22873	0.6
507.23990	0.9
521.21753	0.6
523.23199	2.2
533.22327	0.7
535.23657	3.5
536.24023	1.7
537.21582	1.3
550.25946	1.2
551.26611	2.8
561.25159	3.7
563.23358	0.6
564.23804	4.3
565.24878	2.8
567.26270	0.7
579.26129	7.7
580.26581	0.6
581.24158	0.8
593.27289	0.5
595.25775	2.3
596.26538	1.1
607.25171	0.7
610.27338	1.2
621.26904	5.1
621.41797	0.9
624.26044	5.6
639.28204	100.0
639.39325	4.0
640.28503	4.0
664.02612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
53.89948	2.1
55.01867	15.2
55.05275	2.0
55.05515	29.0
57.03444	11.4
59.04983	3.0
60.22557	2.0
65.03935	4.9
67.05505	49.6
69.03428	28.2
69.07063	10.4
70.61428	6.5
71.01318	2.6
71.05006	10.9
71.05328	1.8
73.02919	4.4
79.05492	39.0
81.03419	100.0
81.07056	35.4
83.04977	23.7
83.08624	23.6
85.02902	20.1
85.06519	2.5
88.72821	2.1
91.05481	34.1
93.07049	28.2
95.04961	22.1
95.08588	15.1
97.02895	23.9
97.06516	5.8
97.10180	12.5
99.04448	8.6
105.07038	27.7
107.04961	20.2
107.08589	18.4
109.02875	22.7
109.06506	4.7
109.10158	19.9
111.04452	19.2
111.08057	8.8
115.05426	2.9
117.07044	10.3
119.08587	20.9
121.06503	7.7
121.10133	13.5
123.04452	3.8
123.08073	4.2
125.06042	2.4
125.09604	12.7
127.03851	11.0
128.19987	2.0
129.06979	10.9
131.04872	3.5
131.08603	12.9
133.06509	5.0
133.10110	8.0
135.04391	4.4
135.08110	3.3
135.11722	10.4
137.05946	3.0
141.06900	2.1
143.08540	4.8
145.06491	4.7
145.10110	11.6
147.08049	5.9
147.11702	12.2
149.09639	7.2
151.03915	2.3
153.12755	8.5
155.08601	3.1
155.10634	3.6
157.10138	9.1
159.11607	2.6
161.09599	2.3
163.11177	16.3
165.12750	5.7
171.11700	2.1
173.04466	9.1
173.09639	5.5
173.11719	3.7
175.11201	7.7
181.12224	8.1
189.11191	7.5
191.10645	9.6
193.12267	24.5
209.11635	12.6
211.13283	32.0
223.13292	2.1
227.12773	18.8
229.14326	7.0
247.13289	4.6
267.15872	5.8
273.14819	4.0
283.15433	3.9
285.17020	4.8
289.14273	2.8
337.16653	3.1
353.15881	3.0
355.17560	2.1
355.22321	2.4
383.22198	3.3
409.18539	2.4
421.25668	6.3
422.26041	2.5
439.26672	3.7
440.27139	5.3
447.26837	3.2
457.25955	2.4
475.26575	14.0
493.27740	7.0
619.30823	9.4
637.32214	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	638.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01871	4.6
55.05518	21.3
57.03429	1.4
64.78370	1.5
67.05511	26.6
67.52502	2.1
69.07072	12.0
76.04974	1.5
79.05502	23.4
81.03436	10.1
81.07063	27.3
83.04992	5.1
83.08626	14.9
91.05506	20.4
92.05850	1.7
93.07050	24.8
95.04978	23.2
95.08615	16.6
97.06542	5.3
97.10175	5.3
100.47363	1.5
105.07037	27.1
107.04930	8.9
107.08611	17.1
109.06554	5.5
109.10174	11.8
111.08078	3.1
117.07027	7.9
119.08591	21.7
121.06532	4.7
121.10158	11.3
123.08045	4.5
123.11861	2.2
125.09634	6.2
129.07051	4.5
131.08604	13.7
133.10146	20.3
135.08072	5.5
135.11722	6.4
137.09625	2.9
143.08606	2.1
145.10129	21.1
147.08029	3.0
147.11737	9.9
149.09633	17.1
149.13287	2.2
157.10149	4.5
159.11674	7.8
161.09653	2.9
161.13249	2.3
163.11194	16.8
165.12790	2.3
169.10172	3.0
171.11742	4.7
173.09650	3.2
173.13354	3.0
175.11215	2.8
177.12767	4.8
183.11761	3.0
187.11205	3.2
189.11249	5.3
195.13930	3.6
202.05402	1.9
203.16342	1.8
214.18555	1.6
223.13303	14.3
229.19609	4.3
233.15514	2.8
239.18033	7.2
257.19101	11.7
269.22778	1.6
273.18561	2.2
275.20090	100.0
276.20401	2.1
291.19626	3.2
292.20071	2.5
293.21136	47.5
310.88974	1.9
638.27307	8.0
638.36658	1.9
639.27643	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	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.9
55.01871	14.4
55.05512	26.6
57.03434	8.3
60.97551	1.8
65.03938	2.8
67.05509	28.3
69.03433	19.6
69.07070	6.1
70.06763	8.6
71.01344	2.5
71.04996	8.1
79.05495	29.3
81.03420	100.0
81.07061	31.2
83.01334	5.9
83.04980	24.4
83.08621	19.9
85.02898	17.3
91.05489	30.0
93.07048	29.5
95.04968	22.6
95.08604	13.9
97.02894	18.3
97.06543	6.5
97.10184	6.1
99.04449	6.6
99.08101	2.3
105.07033	21.4
107.04953	14.9
107.08594	17.4
109.02892	23.0
109.06533	7.9
109.10180	3.3
111.04440	17.4
111.08066	9.2
113.06051	2.0
116.49856	2.0
117.06969	8.6
119.04931	2.2
119.08594	19.0
121.06512	6.7
121.10137	12.0
123.04447	5.0
123.08108	7.2
125.09663	5.5
127.03917	13.3
128.06195	2.2
129.07013	10.9
131.04871	2.1
131.08560	9.6
133.06487	4.5
133.10159	6.7
135.08098	3.2
135.11682	12.6
137.09686	3.2
143.08574	2.5
145.06508	2.9
145.10129	13.0
147.07994	2.7
147.11707	11.7
149.05960	2.2
149.09636	4.1
153.12798	9.9
157.10109	9.4
163.11211	21.8
165.12846	2.5
173.09680	3.7
175.11197	6.8
181.12282	7.8
189.11346	3.5
191.10724	7.7
193.12239	30.9
209.11751	11.3
211.13293	44.8
227.12790	20.8
249.14784	2.7
265.14481	2.3
267.15979	11.2
277.49756	2.0
283.15445	12.3
289.14590	2.5
301.14380	2.7
337.16324	3.5
353.15982	7.2
355.17508	4.9
383.22382	4.1
393.18930	2.1
411.20004	3.8
457.26041	3.3
475.26968	9.2
493.27863	14.2
561.10699	2.0
601.29736	2.5
619.31311	5.3
637.32172	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73903	0.6
55.05457	0.8
57.07008	1.1
57.48634	0.5
61.40914	0.6
67.02531	0.6
67.05415	1.7
69.06973	0.7
71.19597	0.9
71.19938	0.8
81.06982	1.4
83.04892	0.7
91.05392	0.6
93.06960	0.9
95.04857	0.9
95.79237	0.7
105.06969	0.7
109.10013	0.6
119.08495	0.8
211.12267	0.7
224.12946	0.7
243.18895	0.7
259.20224	0.8
275.03040	0.8
388.17578	0.7
389.18277	1.3
390.18225	0.8
391.19379	2.7
392.20053	1.2
399.15451	1.5
400.16760	1.1
401.17838	1.7
402.19635	0.9
403.19415	1.3
404.20551	1.1
405.20795	5.1
406.21487	5.7
413.17654	2.1
414.18335	2.3
415.19238	4.6
417.20779	1.3
419.22256	2.5
420.23297	4.3
421.23853	8.9
427.19318	2.4
428.19669	3.2
429.20877	11.9
430.21875	2.9
431.17950	0.8
431.22717	1.2
433.20129	2.6
433.24744	1.2
434.24576	1.6
442.21567	2.5
443.22589	7.3
444.23520	4.9
445.19736	4.0
446.20795	1.0
447.18176	2.5
452.22043	0.7
455.18732	1.5
456.19693	1.4
457.24908	4.1
458.25070	6.9
459.16794	0.6
459.21875	9.5
460.22812	5.0
461.19217	7.9
465.35248	0.9
470.21179	1.3
471.21756	2.4
472.22693	8.6
473.19153	1.9
473.24026	1.3
475.20694	3.1
476.21979	6.7
477.27039	0.6
485.23495	14.6
486.20355	3.0
486.24304	2.5
487.20349	2.8
488.22189	6.0
489.23059	1.7
490.23706	0.9
491.24249	1.1
492.25327	0.8
493.22189	0.7
499.21149	2.0
500.22214	2.2
502.23755	1.1
503.24442	22.5
504.24982	0.9
505.22266	1.0
507.27505	0.8
512.21307	0.7
513.22717	3.2
514.23712	2.0
517.26044	10.2
518.23041	0.7
519.24109	1.1
529.25989	1.9
530.23004	0.7
535.27087	27.5
536.27197	1.2
545.25500	84.8
546.25793	2.5
563.26593	5.5
573.24939	19.4
577.27979	1.3
578.28107	1.0
605.27606	78.0
606.27948	2.2
637.30237	100.0
638.30731	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15111	0.3
57.48864	0.3
67.05499	0.6
72.66654	0.3
78.19218	0.3
81.07051	0.5
88.46694	0.3
91.05518	0.4
110.08487	0.3
118.30180	0.3
130.36136	0.3
133.90498	0.3
145.46587	0.3
185.60347	0.3
229.02371	0.4
236.22476	0.3
283.16077	0.4
338.80661	0.3
347.71103	0.3
362.17181	0.3
387.16211	0.4
388.17169	0.4
389.17426	0.7
391.19333	0.5
400.17188	0.5
401.17352	0.5
402.18430	0.6
403.19421	1.5
404.20316	0.6
405.20859	0.8
414.18466	0.4
415.14795	0.5
415.20148	1.4
416.20258	0.9
417.21350	2.3
418.21701	0.4
419.22580	1.7
429.17056	0.9
429.21484	0.6
430.17270	2.3
431.17972	3.0
432.18512	0.5
432.23276	1.3
433.20010	0.7
443.18033	2.4
444.19028	3.4
445.20117	9.8
446.21259	2.3
447.22333	1.5
457.20203	0.5
458.21045	8.5
459.21741	6.7
459.27338	0.5
460.22842	6.4
461.19385	3.7
462.20349	0.8
471.21716	0.5
473.24036	0.7
475.21140	2.2
476.22067	0.8
477.22809	2.3
486.24521	0.4
489.18951	0.4
489.23236	0.6
490.23822	0.8
491.24686	1.7
503.20633	0.8
504.25131	1.1
505.22922	1.2
517.22809	1.2
518.22961	5.6
519.23438	0.4
530.23157	0.6
531.23822	1.1
533.25665	3.3
535.23138	1.7
545.25500	2.1
546.26337	2.1
547.26569	0.5
549.24847	1.0
560.24261	0.4
562.25922	0.4
563.26538	0.6
573.25189	0.9
577.28473	2.9
590.24866	0.5
592.26898	0.4
605.27673	14.0
606.28326	1.3
637.30231	100.0
638.30560	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	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	1.4
55.58015	0.5
66.53003	0.4
66.57007	0.5
67.05446	2.5
69.07024	0.9
69.21061	4.5
70.68720	0.4
79.05492	2.2
81.06998	2.2
81.07443	0.8
83.04916	0.4
83.08587	1.0
86.16646	0.4
87.32559	0.4
91.05408	1.5
93.07029	0.8
95.04915	1.1
95.08561	1.3
97.06521	0.7
98.20733	1.1
105.06962	1.4
106.72527	0.4
107.08537	1.1
109.06483	0.6
109.10117	0.6
117.06980	0.6
119.08524	0.8
121.10104	0.8
131.08574	0.7
133.10062	0.9
145.10063	0.5
147.02803	0.7
149.09534	0.9
176.82170	0.4
182.09657	0.5
193.21387	0.5
221.10686	0.7
224.74896	0.5
257.18967	0.4
275.20074	0.8
276.20389	0.9
288.11655	0.5
373.15332	0.5
374.16943	0.7
376.17026	0.6
377.17551	1.7
378.18399	1.0
379.19394	0.5
385.14502	0.7
386.15317	1.1
387.16418	0.9
388.17429	1.3
389.17923	0.5
390.18930	0.7
391.19235	1.1
392.20282	1.1
393.20740	2.7
398.16623	0.6
399.16171	2.1
400.17081	2.8
401.17743	4.0
402.18539	1.3
405.16748	1.0
406.21710	0.9
407.22403	3.0
411.16049	0.7
412.17038	0.6
413.17603	2.7
414.18896	3.8
415.19415	9.3
416.19962	1.6
417.20810	1.7
419.18509	0.8
420.19626	0.6
421.20160	1.8
425.17746	1.2
426.18231	0.6
427.14725	0.9
427.20010	2.2
428.20465	4.4
429.21307	8.8
430.22125	2.8
431.18518	0.8
435.21945	1.8
436.22751	1.0
437.17505	0.5
439.19397	1.0
439.25418	0.6
441.17133	2.5
442.17542	2.8
443.18329	4.0
443.22632	3.9
444.18579	5.8
445.20264	2.7
447.17731	0.9
455.18875	0.9
456.19342	1.6
457.20694	5.1
458.21204	4.7
461.19702	0.5
469.16449	0.7
470.16858	0.7
471.22421	7.1
472.23175	5.4
473.19888	4.7
474.20474	1.3
475.21747	0.9
484.18814	1.7
485.20148	3.1
486.20563	6.6
487.21396	2.7
488.22052	1.1
489.23477	0.7
490.19617	3.3
499.21408	11.4
500.22696	3.6
501.22211	0.5
502.19934	0.9
503.24734	4.3
513.19580	1.1
514.20422	1.1
516.21606	1.7
517.22308	4.5
521.25226	0.7
527.20563	3.5
528.21539	1.6
531.24115	12.6
539.40198	0.8
543.23737	1.7
544.20380	0.6
545.21686	1.1
550.25574	0.6
559.23450	99.7
560.23840	3.4
578.24683	0.7
587.22925	17.5
588.23505	0.6
591.25934	0.9
605.23804	1.1
619.25549	100.0
620.25861	3.6
637.26636	10.3
637.37714	0.8
637.41321	0.6
638.26550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
53.84616	1.2
55.01877	7.1
55.05270	2.4
55.05516	24.1
57.03440	3.1
65.03956	2.5
65.70823	1.3
67.00115	1.4
67.05512	24.5
69.03425	3.3
69.07085	11.3
71.05009	3.0
72.49254	1.5
79.05073	2.2
79.05505	31.1
81.03429	4.5
81.07064	53.0
83.04987	6.4
83.08623	17.1
91.05487	24.1
93.07054	23.5
95.04980	17.0
95.08615	16.9
97.06541	7.5
97.10178	14.5
99.08099	2.1
105.04530	1.9
105.07035	21.9
107.04973	11.5
107.08604	16.8
109.06529	11.5
109.10168	8.6
111.04465	5.1
111.08076	5.9
115.05406	2.0
115.07590	1.4
117.07005	14.6
119.08593	25.5
121.06526	8.8
121.10143	11.7
123.08078	8.5
125.09637	13.6
129.07002	4.3
130.07806	1.4
131.08588	12.4
133.06505	4.6
133.10146	13.2
135.08090	6.8
135.11685	4.8
137.09637	4.2
139.11191	2.1
143.08583	6.2
145.10132	19.2
147.08115	9.4
147.11705	7.8
149.09644	12.1
149.13292	2.6
153.09084	4.6
153.12823	2.3
157.10158	4.9
159.08083	2.6
159.11784	7.1
161.09637	6.1
161.13316	2.3
163.11185	16.8
165.09152	3.3
165.12755	3.0
171.10272	2.4
171.11671	3.3
173.09659	2.7
173.13261	3.1
175.11143	3.0
177.12750	1.6
181.12201	5.1
183.11772	1.6
185.13220	2.2
187.11127	2.0
189.11203	11.1
191.10713	5.3
197.13388	2.0
205.12286	1.8
209.11752	2.0
223.13304	9.0
227.12836	5.3
227.17900	2.0
229.00307	2.0
239.17868	2.1
245.19057	4.3
247.20618	2.0
249.15054	3.0
249.18588	1.6
255.17384	3.3
257.18973	5.7
263.20193	1.8
273.18488	26.7
275.20102	37.6
275.23126	1.8
291.19562	100.0
292.19760	2.8
293.21130	12.9
309.20547	6.6
368.54184	1.5
601.40784	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01881	1.4
55.05517	4.3
57.07072	1.1
67.05506	6.0
69.07065	3.0
71.05022	0.8
71.08591	0.8
76.63221	0.6
79.05500	6.4
81.03436	1.4
81.07056	7.4
83.04968	1.4
83.08627	3.0
85.10175	0.9
91.05497	5.2
93.07047	5.0
95.04994	3.4
95.08616	3.7
97.06554	2.2
97.10182	1.1
98.21674	1.3
99.08095	1.0
105.07032	4.2
107.04951	1.5
107.08603	2.6
109.06548	0.6
109.10188	2.2
111.08096	1.4
113.09623	1.2
117.07027	1.7
119.08590	3.4
121.06553	0.9
121.10181	1.9
123.08060	1.3
123.11764	0.8
125.09702	1.1
129.07005	1.3
131.08569	2.3
133.10150	1.3
135.08141	0.8
135.11713	1.6
137.75426	0.7
143.08524	0.9
145.10147	1.9
147.08092	0.8
147.11668	1.7
149.09659	2.0
151.11200	1.1
153.10980	0.7
157.10103	0.8
159.11693	1.7
161.09584	0.7
161.13344	0.9
163.11267	1.8
165.12822	1.6
189.11221	0.8
209.10864	1.0
225.23706	0.7
234.56606	0.6
244.68680	0.7
249.10419	0.7
273.18591	1.4
275.20059	3.7
276.20551	1.8
277.21826	1.5
279.44571	0.7
289.18051	1.8
291.19489	2.3
293.21027	1.4
294.21521	0.9
295.22861	1.2
325.60818	0.7
363.16187	1.3
366.12344	0.7
374.16391	1.5
376.17395	1.0
377.17749	1.9
378.18875	1.0
379.19144	0.8
388.17749	1.1
390.18652	1.1
391.19446	4.0
392.19864	2.5
393.20718	4.7
399.16006	3.4
400.16940	1.7
401.17810	3.5
402.18607	1.2
403.19565	1.1
405.16379	1.1
405.20856	2.4
406.21686	1.2
407.22351	6.1
408.23087	1.0
411.16870	1.1
413.17783	2.4
414.18707	4.7
415.19379	6.9
416.20557	1.6
417.21249	1.6
419.18408	1.7
419.23264	0.9
420.19284	1.2
421.20239	5.6
425.17758	0.8
427.19547	1.3
428.20764	3.2
429.21509	6.4
430.21719	2.7
431.18704	2.8
433.15945	1.1
434.21146	1.9
435.21677	6.9
436.22745	1.4
439.19366	1.2
441.17346	2.3
443.18436	2.8
443.22766	3.3
444.18774	3.4
444.24530	1.1
445.20792	3.6
446.21304	1.2
447.18362	2.7
455.18958	1.3
456.19556	1.7
457.20688	5.7
458.21240	3.1
459.17599	1.5
459.23004	0.9
461.19888	2.9
462.20319	2.4
463.21405	2.0
470.16794	1.1
471.22388	6.0
472.23410	3.8
473.19492	5.1
474.20560	3.7
475.17706	2.2
475.22491	1.1
476.18573	1.0
484.18933	2.1
485.19821	4.9
486.20554	6.4
487.21564	3.3
488.22226	1.8
489.19366	2.8
489.23230	2.3
490.19446	4.6
491.20660	2.4
499.21423	10.8
500.22116	2.9
501.23199	1.7
502.20145	1.0
503.24500	2.7
504.21457	0.9
513.19293	7.4
514.20044	1.8
516.21625	1.4
517.22400	14.9
518.23279	1.1
519.20477	1.1
521.25671	1.5
527.20898	2.7
528.21179	1.5
529.22693	3.1
531.24396	12.1
543.24152	1.4
543.38574	0.8
545.22375	1.2
549.25110	7.2
559.23450	81.8
560.23627	2.4
573.20941	1.2
577.24408	2.8
578.24976	1.5
587.22919	14.7
591.26166	4.4
605.23901	8.0
609.27045	0.9
619.25555	78.0
620.25757	2.5
637.26593	100.0
638.27246	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	636.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01875	8.9
55.05519	29.9
59.04991	2.1
61.24620	1.5
65.03945	2.6
67.05510	31.6
69.03420	4.8
69.07064	13.4
70.74042	4.6
71.05001	2.0
79.05502	38.8
79.05964	2.0
81.03426	5.8
81.07065	60.1
82.07412	1.9
83.04997	7.8
83.08636	13.8
85.00860	1.4
85.06544	2.4
91.05483	30.9
93.07052	27.3
95.04971	14.7
95.08607	14.4
97.06522	7.8
97.10180	18.0
99.44337	1.5
105.04548	1.5
105.07035	25.8
107.04980	9.4
107.08611	20.8
109.06506	12.0
109.10164	7.0
111.04443	5.7
111.08080	5.6
115.05480	2.7
117.07040	15.8
119.08591	29.4
121.06509	8.9
121.10151	15.4
123.08066	8.9
125.09631	16.7
129.06982	7.6
131.08571	15.5
133.06516	2.1
133.10143	14.3
135.08101	7.4
135.11678	8.0
137.09636	4.5
142.07808	2.1
143.08563	6.2
145.10133	18.5
147.08076	11.9
147.11673	8.2
149.09607	11.5
151.11061	2.1
151.95206	1.5
153.09119	6.5
153.12727	2.8
153.77966	1.7
155.08537	4.2
157.10161	6.0
159.08040	2.3
159.11708	9.8
161.09634	5.7
161.13237	3.0
163.11197	13.4
165.09131	3.4
169.10117	2.9
171.11694	3.0
173.13287	3.2
175.11209	3.0
177.12775	2.8
181.12297	5.3
183.11771	2.3
185.13345	3.2
187.11214	1.7
189.11259	10.8
191.10732	5.3
209.11688	2.4
213.16374	2.1
223.13237	8.5
227.12849	3.0
227.17928	2.3
233.15570	1.6
245.19055	3.3
249.14919	3.7
255.17409	6.6
257.19009	6.2
273.18509	34.8
275.20059	23.3
291.19571	100.0
292.19934	2.6
293.21063	2.5
309.20465	3.9
466.85834	1.7
583.40729	2.0
601.56720	2.0
636.39990	3.1
637.26300	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	636.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01865	7.6
55.05515	18.9
57.03428	3.0
65.03942	2.8
67.05177	2.8
67.05509	32.7
69.03417	3.1
69.07056	10.7
71.04980	3.0
77.96935	1.7
79.05499	35.7
81.03400	7.2
81.07061	74.4
83.04969	6.4
83.08630	13.9
85.02914	1.9
85.06542	2.1
91.05487	26.8
93.07050	27.4
95.04976	16.7
95.08608	17.5
97.06541	6.0
97.10176	14.7
105.07033	22.9
107.04946	10.6
107.08582	18.4
109.06520	15.2
109.10150	10.2
110.10964	1.8
111.04431	6.1
111.08102	3.2
117.07024	16.2
119.08588	25.9
121.06552	9.1
121.10140	14.0
123.08067	6.6
125.09669	10.4
129.06999	6.6
131.08554	14.1
133.06468	2.4
133.10138	8.5
135.08080	9.2
135.11693	4.6
137.09599	4.0
142.15710	1.9
143.08559	5.4
145.10143	17.1
147.08028	13.6
147.11711	9.4
149.09602	9.9
149.13342	2.3
153.09175	2.8
153.12769	3.3
155.08589	2.7
157.10016	3.3
159.11737	5.7
161.09625	6.0
161.13261	3.3
163.11218	13.4
163.14760	1.9
165.09114	2.8
169.10184	2.4
171.11696	4.3
173.09628	4.6
173.13246	2.8
175.11200	3.1
177.12720	2.0
181.12225	3.2
185.13297	2.7
189.11273	9.1
189.12688	2.2
191.10585	3.6
193.12291	2.1
213.12791	1.8
223.13310	4.1
227.12724	3.4
229.19431	2.5
229.58293	1.9
249.14917	2.8
255.17528	4.8
257.19058	2.2
273.18533	27.2
275.20081	40.6
291.19553	100.0
293.21167	8.7
309.20572	11.1
329.72928	1.8
521.59528	2.1
566.48083	2.0
583.39697	2.4
636.39587	5.9
639.00342	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3942
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.03951	2.4
55.05515	8.9
57.03430	1.9
57.07070	4.3
65.03954	1.5
67.05508	16.4
69.03438	1.7
69.07069	10.9
71.49254	2.4
76.30441	1.3
79.05492	10.9
81.03420	2.7
81.07056	26.0
83.04980	2.9
83.08625	10.0
83.64320	1.8
89.03916	6.6
91.05484	16.9
92.05824	1.5
93.07049	20.1
95.04966	6.1
95.08611	36.2
97.06547	2.0
97.10170	3.8
99.08092	2.4
103.05468	1.5
105.07043	23.2
107.04958	4.2
107.08594	27.5
109.06533	4.4
109.10162	18.4
117.03371	8.3
117.07043	6.2
119.04951	2.2
119.08583	34.9
120.08897	1.7
121.02851	3.7
121.10149	22.9
123.04431	1.7
123.11696	7.7
125.09626	2.7
129.07004	2.8
131.08595	9.0
133.10133	22.5
135.04428	17.1
135.08109	2.5
135.11699	13.9
137.09645	2.3
142.07697	1.9
143.08612	4.4
145.02841	14.3
145.10118	15.9
147.04404	10.4
147.11693	15.9
149.09654	1.9
149.13268	9.5
157.10153	2.7
159.11705	14.7
160.12578	1.5
161.09662	1.9
161.13287	12.7
163.03914	100.0
163.11192	3.4
163.14912	8.5
165.05606	1.7
165.12784	1.6
171.11705	4.5
173.13239	6.7
175.14835	14.3
177.14407	1.3
177.14897	1.9
177.16348	14.1
179.18922	1.7
181.04953	18.8
185.13220	2.3
187.14822	5.9
189.12808	1.8
189.16379	29.9
191.18007	3.9
197.13187	1.9
199.14877	2.8
201.16388	25.8
203.17981	37.3
205.15921	2.6
207.17436	5.3
213.16435	8.4
215.17975	21.9
217.19579	3.2
219.17516	2.2
221.15192	2.1
227.17970	2.8
229.19641	2.8
233.98552	1.5
235.16859	2.0
241.19664	3.6
243.21092	5.1
247.16966	6.0
249.18564	4.5
253.19547	1.9
255.21019	1.8
259.16852	2.5
261.18484	6.2
267.21121	2.7
273.18527	2.8
275.20065	4.3
276.20612	1.7
289.17615	2.1
291.19629	2.8
391.33609	9.8
407.33179	2.3
409.34683	11.4
411.32571	7.0
436.59802	1.7
437.34262	27.8
453.33102	1.7
635.40277	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	635.3945
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.02364	0.5
51.96582	0.4
53.03923	0.6
55.05502	1.9
57.03438	0.5
57.07074	0.8
65.03932	1.7
67.05506	2.9
68.02694	0.3
69.07064	2.3
71.04983	0.6
79.05499	3.1
81.03397	0.7
81.07054	6.0
83.04984	1.6
83.08617	1.3
91.05479	17.7
93.07041	6.3
95.04978	0.6
95.08610	8.2
97.06548	0.7
97.10168	0.8
99.08111	0.5
101.32601	0.4
105.07027	8.7
107.08590	10.3
109.06509	0.9
109.10161	5.6
111.08102	0.9
117.07119	0.7
119.04944	29.4
119.08584	12.7
119.09233	0.3
120.05221	0.6
121.10146	7.8
123.08051	0.4
123.11691	2.4
125.09651	2.1
129.06964	0.6
130.07782	0.5
131.08553	4.0
133.10130	7.9
135.11720	3.4
137.09677	0.6
143.08574	1.9
144.09270	0.8
145.10123	7.7
147.04411	100.0
147.11673	3.6
148.04785	1.1
149.09668	1.0
149.13225	2.0
149.82512	0.4
151.11192	0.7
153.09090	0.8
157.10124	1.7
159.11711	7.6
161.13258	4.5
163.11171	0.9
163.14818	1.5
165.05513	0.7
169.10080	0.7
171.11714	1.6
173.13255	4.3
175.14859	4.7
177.09148	0.8
177.16399	1.7
183.11713	0.7
185.13309	1.4
187.14810	7.7
189.16383	6.9
191.14290	2.9
191.17940	4.6
197.13295	0.6
199.14818	1.8
201.16399	10.5
203.17986	2.4
205.15874	1.1
213.16383	4.4
215.17946	4.3
217.15883	1.2
217.19524	1.2
219.17442	7.0
221.15152	0.5
227.17937	1.1
229.15903	0.5
229.19460	0.6
231.17447	0.5
233.19022	1.5
235.16927	3.6
240.06023	0.4
241.19518	1.0
243.21011	1.0
247.16969	3.2
255.21228	0.9
261.18481	1.7
267.21057	1.5
281.22598	0.6
283.24063	0.5
347.44003	0.4
389.32166	1.7
407.33069	10.9
409.34689	0.6
425.34204	1.0
435.32635	3.4
443.34891	0.9
453.33591	6.2
471.34818	1.3
617.38373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3941
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.17453	1.1
54.05025	1.1
55.05513	4.3
57.07066	1.6
65.03934	1.9
67.05505	4.8
67.70422	1.2
69.07063	4.0
71.10183	2.1
79.05508	6.0
81.07058	13.8
83.04997	2.4
83.08627	3.5
90.95531	1.1
91.05483	17.4
93.07050	10.0
95.04990	1.2
95.08619	17.3
105.07027	16.8
107.08591	19.0
109.06512	1.8
109.10151	10.6
111.08073	2.5
117.07013	3.5
119.04947	29.0
119.08578	25.0
121.10149	15.0
123.08060	1.5
123.11698	5.0
125.09632	4.3
131.08598	10.2
133.10139	17.2
135.11681	8.0
137.09633	2.3
142.07774	1.4
143.08582	5.0
145.10126	18.3
147.04416	100.0
147.11711	11.0
149.09688	1.4
149.13272	4.0
157.10176	2.8
158.10747	1.8
159.11713	15.9
161.13242	9.9
163.14836	4.4
165.05510	6.7
171.11691	3.4
173.13257	8.0
175.14839	10.5
177.16391	8.0
183.11670	2.4
185.13397	1.6
187.14819	18.3
189.16403	17.8
191.14400	3.1
191.17935	5.9
194.56950	1.2
197.13245	1.3
199.14832	4.9
201.16396	21.9
203.17960	9.2
205.15903	4.3
207.17401	2.4
213.16382	10.4
215.17979	11.2
217.15898	4.4
217.19504	2.2
219.17438	10.2
231.17426	1.7
233.19009	3.4
235.16988	4.4
241.19627	2.5
243.21307	1.3
247.16928	4.7
255.21132	1.5
261.18533	4.3
267.21219	2.9
389.32111	4.3
407.33118	21.7
409.34818	2.4
420.85895	1.2
421.63388	1.2
435.32654	5.6
453.33746	12.4
585.21875	1.3
637.70087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90894	1.3
55.05510	2.8
65.03947	2.1
67.05498	4.2
69.07069	3.7
69.94440	3.4
69.94826	2.2
79.05508	2.8
81.07072	11.8
83.04996	2.7
83.08607	2.2
91.05491	19.4
92.09933	1.4
93.07064	11.4
95.08627	17.6
97.06523	1.7
105.07047	15.0
107.08604	19.7
109.10188	9.3
111.08154	1.6
117.07044	1.5
119.04962	26.0
119.08597	17.1
121.10167	13.0
123.11712	4.8
125.09641	4.0
129.07071	1.6
130.28108	1.3
131.08562	5.5
133.10138	16.0
135.11673	6.6
143.08568	5.5
145.10136	17.7
147.04428	100.0
147.11710	6.3
149.13268	5.3
157.10202	2.3
159.11726	13.7
161.13260	5.7
163.14845	3.7
171.11687	1.9
173.13255	7.6
175.14818	7.1
177.09213	1.6
177.16374	6.0
185.13336	1.9
187.14861	17.8
189.16406	16.7
191.14323	3.7
191.17943	4.2
197.13318	1.4
197.19856	1.3
199.14836	4.3
201.16417	19.4
203.17976	5.2
205.15756	2.9
213.16435	8.5
215.17970	9.2
217.15965	2.8
219.17545	10.3
233.19020	2.3
235.16907	6.4
241.19586	2.4
243.21317	1.5
247.16951	5.2
261.18686	2.0
267.21158	3.8
389.32135	3.1
407.33121	20.4
409.34705	2.6
435.32742	4.9
453.33655	17.1
493.50143	1.6
563.92517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3944
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.05503	4.1
55.19546	0.8
55.78025	0.8
57.07088	1.4
65.03948	2.5
67.05515	6.2
69.03400	1.6
69.07058	4.0
69.56454	5.4
69.56866	1.6
69.57030	0.8
79.05479	5.8
81.03434	1.9
81.07059	13.1
83.04977	4.0
83.08610	3.3
91.05486	24.2
93.07050	12.7
95.04967	4.0
95.08614	15.0
97.06516	1.1
97.10178	1.7
98.65523	0.8
105.07037	14.0
106.78634	0.9
107.04961	1.1
107.08606	19.0
109.06508	1.8
109.10168	9.4
111.08054	1.4
117.07027	2.6
119.04118	2.0
119.04950	32.6
119.08583	20.1
119.09386	1.7
121.10157	12.9
123.08069	2.0
123.11714	3.6
125.09638	2.2
129.07045	2.7
131.08585	7.3
131.70863	0.9
133.10127	16.0
135.11653	4.5
143.08565	4.7
145.10117	14.5
147.04416	100.0
147.11682	6.9
149.09563	1.2
149.13284	1.9
151.11177	1.2
155.08601	1.8
157.10161	2.9
158.10907	1.5
159.11693	13.0
161.13287	7.2
163.14842	4.2
165.05545	1.1
167.94589	0.9
171.11694	1.5
172.12393	1.1
173.13258	7.1
175.14813	7.2
177.12772	1.0
177.16386	5.8
185.13277	1.6
187.14836	9.8
189.16399	16.7
191.14319	5.0
191.17963	3.3
197.13148	1.2
199.14824	4.2
201.16380	19.9
203.17952	3.8
205.15842	3.0
207.17560	1.0
211.13330	1.2
213.16389	9.4
215.17967	8.5
217.15834	1.8
217.19481	3.1
219.17427	12.4
221.15324	1.4
222.54678	0.9
231.17416	2.1
233.18924	2.2
235.16920	7.7
241.19601	2.6
243.21120	1.4
247.16972	3.3
255.21117	2.2
259.20905	1.1
261.18558	1.7
267.21097	3.0
269.22794	1.1
358.74988	1.0
389.32031	2.6
407.33130	18.1
409.34540	1.9
435.32529	5.0
453.33640	14.5
522.06647	1.0
538.67236	1.0
635.40247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
55.01876	8.4
55.05273	2.1
55.05511	26.2
57.03433	8.9
59.05008	1.8
61.02926	1.7
65.03931	6.5
67.05506	54.9
69.03427	20.2
69.07058	11.4
71.04987	6.0
71.48687	1.6
77.03937	1.7
79.05492	76.2
79.29523	1.5
81.03418	100.0
81.07053	52.5
83.04980	25.2
83.08614	13.6
85.02898	15.9
85.06553	3.2
91.05479	63.9
93.07044	52.2
93.07634	2.8
95.04970	33.5
95.08606	27.7
97.02882	16.5
97.06535	8.1
97.10191	7.2
99.04452	6.3
103.05455	2.7
105.04515	3.3
105.07028	48.7
107.04945	14.5
107.08588	21.3
109.02867	15.3
109.06521	10.5
109.10133	7.9
109.79347	1.7
111.04426	12.3
111.08065	8.3
115.05460	2.8
117.07024	13.4
119.04908	1.8
119.08580	29.7
121.06508	6.3
121.10139	11.7
123.04421	2.3
123.08072	5.7
123.11740	2.7
125.09664	4.4
127.03918	12.9
127.07612	1.9
128.06238	5.8
129.05537	2.5
129.07014	23.3
131.04944	3.9
131.08582	16.2
133.06500	3.5
133.10146	13.3
135.07980	2.4
135.11707	4.6
137.06010	1.9
139.27690	1.8
141.06995	3.2
142.07816	2.4
143.08591	9.8
145.06503	3.9
145.10121	10.6
147.08055	3.4
147.11685	30.6
149.09633	4.8
153.12714	3.8
155.08562	2.9
157.06467	2.5
157.10146	10.0
159.08075	2.3
159.11703	3.1
161.05974	1.8
161.09633	3.1
161.13269	8.1
163.11179	6.1
165.12784	3.3
171.11678	17.7
173.04480	5.1
173.09657	3.0
175.11179	8.4
177.12900	1.9
179.14232	2.1
181.12271	3.7
183.08153	1.8
185.13235	1.4
187.11143	1.7
189.11281	1.5
189.12779	4.9
191.10715	4.1
193.10495	1.9
193.12219	30.5
207.13771	22.2
211.13271	31.9
225.14804	2.1
227.12810	5.8
243.13910	1.8
255.13734	1.9
259.17313	1.6
263.16281	2.1
267.15866	9.3
269.15506	2.1
273.14868	2.9
281.17422	14.9
283.15668	1.9
285.17062	3.1
287.16269	3.0
300.14734	1.6
337.16449	3.2
351.17844	2.4
355.17645	7.6
407.20538	2.7
411.20184	5.5
473.29022	9.9
489.27313	1.7
491.30301	9.0
553.31683	2.0
571.32721	2.1
599.31818	1.8
617.33185	5.5
627.23993	1.7
635.34204	72.7
636.34625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03949	11.7
55.01603	1.0
55.01873	18.5
55.05512	25.0
57.03429	8.2
57.07067	1.0
59.04988	3.6
65.03924	2.6
67.05506	29.8
69.03431	24.2
69.07069	8.6
69.59732	6.2
71.01344	3.3
71.05002	10.3
73.02901	1.0
76.27802	0.9
79.05016	1.3
79.05492	39.5
81.03420	100.0
81.07057	28.9
82.03735	1.1
83.01344	8.6
83.04984	30.7
83.08615	13.9
85.02905	8.4
85.06544	1.6
91.04913	1.5
91.05482	27.5
91.95368	0.9
92.20927	1.3
93.07047	39.4
95.04978	15.6
95.08614	16.4
97.02894	24.3
97.06528	9.0
97.10154	5.8
98.21559	1.6
99.04443	8.6
105.04510	2.6
105.07033	19.4
105.96418	0.9
107.04956	16.1
107.08594	21.9
109.02878	23.6
109.06546	8.4
109.10136	5.9
111.04438	12.2
111.08079	5.7
115.05454	2.4
117.07014	14.6
119.04942	1.3
119.08582	12.8
121.06497	7.1
121.10152	10.1
123.04434	3.1
123.08075	8.5
125.05995	2.6
125.09625	6.3
127.03925	16.8
128.06229	1.2
129.07013	3.8
130.07800	3.4
131.04907	1.6
131.08554	7.2
133.06491	1.3
133.10114	5.8
135.04398	2.0
135.08049	4.9
135.11696	19.4
137.05971	1.5
137.09648	2.7
139.07564	1.5
143.08580	3.2
145.06493	2.4
145.10126	22.2
147.04433	1.9
147.08066	3.7
147.11734	2.1
149.09573	2.2
153.07076	1.0
153.12741	16.1
155.08542	2.2
159.11684	1.1
161.06067	1.0
161.09625	2.2
163.11194	36.5
165.05539	1.6
173.04475	4.2
173.09593	5.8
181.12250	13.7
186.44424	1.0
189.09200	1.9
189.11252	2.9
191.10701	12.1
193.12250	1.9
199.03905	1.0
205.12196	1.8
209.11731	15.0
211.13402	1.0
219.13806	1.2
223.13292	1.9
225.11174	1.1
227.12788	22.5
247.13356	1.4
263.12866	1.1
265.14404	2.1
283.15356	5.8
313.29105	1.0
325.16675	1.5
335.14963	3.2
337.14163	1.4
353.16000	19.6
381.20624	1.3
391.17795	1.1
409.18616	4.9
411.18329	1.0
423.05032	0.9
463.26965	1.6
473.25201	2.6
491.26291	5.6
491.32837	0.9
561.27112	1.7
617.29181	2.7
635.30591	76.4
636.30737	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	635.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01871	1.1
55.05518	3.7
56.05845	0.4
57.03449	0.5
57.07077	0.6
64.58320	0.4
67.05511	5.1
69.07084	3.0
71.04994	0.5
71.08644	0.6
79.05502	5.5
79.27991	0.3
80.05846	0.6
81.03418	1.1
81.07059	4.3
82.07411	0.6
83.04988	1.1
83.08633	2.6
85.06523	0.4
91.05491	5.3
92.05824	0.6
93.07057	4.6
95.04979	2.7
95.08618	3.5
96.08943	0.6
97.06533	1.9
97.10159	0.6
105.07050	4.7
106.07378	0.7
107.04983	1.6
107.08596	2.5
109.06528	0.7
109.10185	1.4
111.08082	1.1
117.07032	1.7
119.08597	3.4
120.08964	0.5
121.06543	0.8
121.10115	2.6
123.08074	0.8
125.09652	0.9
129.07043	0.5
131.08577	2.4
133.10147	2.8
134.10542	0.9
135.08104	0.5
135.11732	1.1
137.09657	0.9
143.08632	0.5
145.10156	2.6
146.10492	0.5
147.08095	0.4
147.11687	1.8
149.09624	2.3
149.13351	0.4
157.10103	0.7
159.11703	1.3
161.09682	0.9
163.11195	2.7
164.11499	0.6
165.13007	0.3
173.13327	0.5
174.13728	0.6
175.11243	0.6
177.12788	0.6
193.12331	1.5
203.12881	0.7
207.09244	0.7
223.12303	0.7
235.12325	0.5
237.15018	0.5
239.18025	0.8
247.12361	0.6
249.14082	0.5
257.19083	2.0
258.19257	0.7
275.20108	8.3
276.20480	3.1
277.13593	0.4
289.17987	0.6
307.22742	2.7
308.23190	1.5
389.17850	1.1
390.18286	0.5
401.18219	0.7
402.18536	1.0
403.19260	3.4
404.20154	1.1
405.20825	1.7
415.15207	0.6
415.20038	0.5
416.15698	0.5
416.20532	1.0
417.16348	0.9
417.21362	5.1
418.21555	1.7
419.22726	1.9
429.16641	0.8
429.21619	0.6
430.17401	1.9
431.17957	5.7
431.23669	1.0
432.19543	1.6
433.24561	3.3
443.18533	0.6
444.19568	1.4
445.20078	7.6
446.20731	2.8
447.21820	1.0
457.20636	0.7
458.21417	0.4
459.17221	1.1
459.22867	3.3
460.22931	4.0
461.23804	4.2
473.19699	1.4
474.19913	0.5
475.21707	1.2
477.22882	0.6
487.25528	0.8
488.22040	2.5
489.22903	5.7
490.23587	0.6
501.22983	0.9
502.23557	0.6
515.24463	1.5
517.22485	0.6
518.23340	0.4
519.27460	0.8
531.23749	0.5
532.24347	0.6
533.22357	0.8
543.24060	0.5
547.27539	7.9
575.26581	20.9
576.26862	0.7
603.26196	0.7
606.24646	0.5
607.29297	1.2
635.28705	100.0
636.28668	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	634.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01875	10.2
55.05511	39.4
57.03428	3.7
57.07065	5.1
59.04974	2.5
65.03926	4.7
67.05504	54.1
67.51210	1.6
69.03420	5.4
69.07067	25.7
69.82095	8.5
71.05006	10.6
71.08620	2.1
79.05495	50.9
81.03411	11.4
81.07057	71.7
83.04962	10.5
83.08163	2.0
83.08624	28.2
84.55564	1.6
85.02901	2.1
85.06554	2.8
91.05485	53.0
93.07042	46.7
95.01353	7.7
95.04971	28.6
95.08611	28.7
95.95435	1.6
97.02866	3.4
97.06530	14.5
97.10173	10.2
103.05444	2.2
103.87904	1.7
105.04514	2.1
105.07031	55.3
107.04954	20.3
107.08590	26.9
109.06518	13.7
109.10166	18.5
111.08087	9.2
115.05417	1.8
117.07022	22.5
119.08588	39.4
121.06487	10.8
121.10143	21.0
123.04395	4.4
123.08086	9.2
123.08838	1.8
123.11755	3.6
125.09640	9.9
128.06229	1.6
129.06964	10.4
131.08562	21.8
133.06421	3.7
133.10136	31.7
135.08055	10.7
135.11679	10.7
137.09619	10.9
139.07530	1.9
139.11217	3.3
141.06982	3.6
142.07822	2.1
143.08571	8.0
145.06439	3.6
145.10124	25.8
147.08035	6.9
147.11684	18.6
149.09621	29.4
149.13275	4.9
149.69453	1.8
151.11165	7.2
153.09050	3.5
155.08559	5.3
157.10115	5.9
159.11681	14.9
161.09610	4.0
161.13315	7.5
161.14496	1.7
163.11177	26.2
165.09106	7.5
165.12735	4.4
167.10695	2.1
169.10088	6.1
171.11682	6.8
173.09616	5.7
173.13245	6.9
175.11235	2.0
175.14796	2.6
177.12744	5.7
179.14333	2.6
181.12148	1.8
183.11693	5.1
185.13185	2.0
187.11159	3.1
187.14798	2.5
189.11206	2.6
189.12807	2.3
191.10638	3.0
191.14436	2.1
193.12244	20.9
195.13800	2.3
197.13211	4.5
205.12239	2.7
213.16316	1.9
215.17979	1.9
223.13216	8.8
229.19528	3.0
239.17976	11.1
247.20525	3.2
249.14862	2.0
257.18991	19.7
273.18390	4.2
275.20059	100.0
289.17905	11.3
289.21182	3.5
291.19510	6.1
293.21118	31.1
296.98401	2.1
307.19113	3.2
307.22626	9.0
397.48013	1.8
484.44525	1.9
635.28168	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.4
55.01870	6.9
55.05515	33.3
57.03441	2.1
57.07056	2.7
65.03951	2.0
67.05508	34.8
69.03446	2.5
69.07075	19.0
69.14713	12.6
71.04985	2.8
71.21235	1.2
77.03926	1.4
77.48220	1.0
79.05499	36.1
81.03418	8.1
81.06595	2.5
81.07059	40.7
83.04993	8.4
83.08620	33.8
84.24312	1.0
85.06548	3.1
91.05485	38.9
93.07046	33.3
95.01337	1.8
95.04976	25.2
95.08619	27.2
97.06535	11.4
97.10162	7.0
98.20734	2.6
99.08084	2.4
103.05507	1.8
105.04527	1.6
105.07040	37.6
107.04971	14.9
107.08602	25.2
109.06506	7.2
109.10166	13.2
110.05589	1.2
111.08096	6.6
113.09646	2.0
115.05448	1.4
117.07030	15.7
119.08588	30.8
121.06491	6.9
121.10159	20.8
123.08054	5.9
123.11658	3.8
125.09654	7.1
128.06232	2.2
129.06989	7.8
130.07771	2.1
131.08580	19.9
133.06479	2.7
133.10150	25.0
135.08067	8.2
135.11728	10.4
137.09624	6.2
139.11208	1.8
141.06963	2.3
143.08560	5.6
145.06497	3.2
145.10126	27.8
147.08051	3.9
147.11691	16.5
149.09637	23.8
149.13275	2.1
151.11186	4.8
153.09126	2.0
155.08539	3.9
157.10120	4.1
159.08128	1.4
159.10440	1.7
159.11702	14.4
161.09624	4.1
161.13248	4.7
163.09875	1.8
163.11201	27.7
164.68427	1.1
165.09064	1.7
165.12796	6.9
169.10161	6.4
171.10373	1.4
171.11586	5.3
173.09653	3.7
173.13304	7.9
175.11230	3.8
175.14926	1.8
177.12747	3.7
179.14343	1.6
181.12221	2.0
183.11653	3.9
185.13319	2.8
187.11208	3.6
187.14778	2.4
187.23476	1.2
189.12709	1.5
191.10674	1.8
191.14311	1.5
193.12254	17.7
195.11728	1.3
195.13817	2.1
197.13257	6.0
201.12767	1.9
201.16524	1.3
203.12756	5.0
205.12271	3.0
215.14270	1.6
215.17973	2.0
219.13922	2.3
229.19553	4.1
237.14841	10.3
239.17941	11.9
247.20650	3.7
257.19034	18.1
271.17120	1.2
272.47302	1.2
273.18622	1.5
275.20084	100.0
276.20526	1.8
289.17990	7.0
289.21515	4.3
291.19601	1.6
293.21066	6.3
307.22705	43.6
365.18649	1.3
387.28610	1.5
392.28745	1.2
431.18158	2.0
433.23712	1.8
445.20111	3.1
459.21283	1.6
460.22531	2.0
461.23257	1.9
489.23001	1.3
547.26764	3.0
575.26727	7.6
635.28674	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53370	1.1
53.03952	6.2
55.01866	4.9
55.05516	26.8
57.03424	1.6
57.07058	2.5
65.03954	1.5
67.05190	1.8
67.05511	30.6
69.03427	1.7
69.07078	15.0
69.41042	1.2
70.95418	1.2
71.04974	2.5
71.53564	1.1
78.07917	1.2
79.05497	26.8
81.03413	7.2
81.06594	2.4
81.07058	34.9
83.04997	6.6
83.08171	1.9
83.08627	28.5
85.06543	2.0
91.05486	32.1
93.06501	1.9
93.07052	31.4
95.04980	34.5
95.08617	18.8
97.06547	7.4
97.10137	6.8
98.21636	2.6
103.05471	1.2
105.07040	31.2
107.04967	15.7
107.08603	21.8
109.06521	5.1
109.10171	9.9
111.07397	1.5
111.08096	8.1
115.05415	1.9
117.07027	12.5
119.08588	29.0
121.06511	7.4
121.10152	18.1
122.41688	1.3
123.08054	5.5
123.11704	2.2
125.09634	9.4
129.06996	4.4
130.07755	1.9
131.08562	17.4
133.06433	1.3
133.10135	23.2
135.08087	9.5
135.11726	10.0
137.09645	4.4
139.07535	1.4
139.11150	1.9
141.06970	1.7
143.08553	3.5
145.06471	2.1
145.09070	1.9
145.10133	24.1
147.08054	3.7
147.11713	14.1
149.09615	24.1
149.13252	2.4
151.11194	4.6
153.09050	1.9
155.08551	2.6
157.10130	3.9
159.11699	11.5
161.09566	3.7
161.13240	3.0
163.09875	2.0
163.11195	29.8
163.14784	1.3
165.12743	5.7
169.10110	4.0
171.11702	4.5
173.09596	4.9
173.13217	6.8
175.11192	3.2
175.14778	2.3
177.12720	3.0
183.11685	2.9
185.13310	2.4
186.89384	1.3
187.11157	2.5
189.12630	1.7
197.13301	3.1
199.14758	1.4
201.12698	1.9
203.12799	9.1
205.12221	3.2
215.17856	2.0
219.13730	2.4
223.13283	1.9
229.19479	3.7
237.14874	17.7
239.17995	11.7
247.20566	2.8
257.19012	16.9
270.81067	1.3
275.20087	100.0
276.20563	2.5
289.21750	6.3
293.21182	13.2
307.22702	61.2
318.13086	1.4
352.97739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29530	1.5
53.03947	6.0
54.00942	1.9
55.01872	12.1
55.05510	41.8
55.90244	1.8
57.03428	4.9
57.07058	2.2
63.54705	2.0
65.03929	3.1
67.05507	55.7
69.03431	3.5
69.07069	31.1
69.25358	13.8
69.25791	5.4
71.01366	1.8
71.04995	10.5
79.05028	1.8
79.05492	51.9
81.03420	9.1
81.07057	63.5
81.07536	4.0
83.04967	11.2
83.08621	27.2
85.06509	3.5
91.05482	51.2
93.07047	39.0
95.01331	9.0
95.04965	28.4
95.08601	32.8
97.02876	5.2
97.06537	17.0
97.10153	12.9
99.08109	2.5
99.85492	1.9
105.04557	2.4
105.07030	49.9
107.04958	20.5
107.08591	31.4
109.06521	17.3
109.10155	14.8
111.04464	3.1
111.08124	9.0
115.05440	3.1
117.07012	23.1
119.08589	41.3
121.06507	10.1
121.10141	22.7
123.04409	3.2
123.08076	8.8
123.11710	5.1
125.09632	5.5
128.06201	2.5
129.07004	9.3
130.07779	2.4
131.04935	3.0
131.08565	27.8
133.06516	4.8
133.10130	30.9
135.08057	7.9
135.11697	13.1
137.09602	14.1
138.20944	2.0
142.07768	2.3
143.08549	5.6
145.06500	3.9
145.10120	28.7
147.08020	6.3
147.11684	19.3
149.09616	24.9
149.13278	5.6
151.11143	3.9
153.09122	4.9
155.08562	3.8
157.10149	7.8
159.11699	14.2
161.09625	7.0
161.13269	6.0
163.11180	32.7
165.09077	4.8
165.12740	5.7
167.10756	2.1
169.10133	5.2
171.11702	6.3
173.09583	3.8
173.11871	2.7
173.13280	6.9
175.11282	4.5
177.12715	5.9
179.14323	2.8
183.11633	4.2
185.13324	2.6
187.14790	2.3
189.11185	2.7
189.12730	2.3
191.10690	2.1
193.12265	17.5
195.13747	2.4
197.13185	3.0
201.12813	2.6
205.12245	3.3
211.14905	2.3
223.13280	7.1
229.19507	5.0
239.17908	10.1
247.20560	5.3
257.18985	14.7
273.18460	5.0
275.20053	100.0
289.18015	10.5
291.19598	8.8
293.21124	23.9
305.21005	2.8
307.19205	3.6
307.22607	9.1
349.81647	1.9
531.67316	2.3
659.30688	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20609	1.6
53.03943	3.7
55.01868	5.9
55.05511	31.0
57.03438	2.7
57.46111	1.5
65.03932	2.3
67.05504	35.7
69.03426	3.4
69.07072	15.9
69.50095	1.3
70.21239	6.2
71.04995	2.4
71.17290	1.7
79.05070	3.0
79.05494	34.1
80.29282	1.5
81.03415	7.1
81.07059	40.3
83.04977	8.4
83.08619	19.5
85.06576	3.0
90.92535	1.5
91.04908	2.3
91.05481	44.9
91.06026	2.9
93.07050	34.1
95.04967	15.2
95.08610	19.5
97.02907	1.5
97.06554	7.9
97.10176	6.2
99.08091	2.2
103.05491	3.8
105.04475	1.7
105.07037	39.3
105.07704	3.1
107.04955	14.4
107.08594	25.3
109.02891	2.6
109.06548	7.8
109.10161	13.8
111.04445	2.7
111.08092	6.3
114.73967	1.6
115.05465	2.9
117.07018	18.2
119.08582	32.5
119.84563	1.5
121.06517	8.1
121.10129	11.6
123.04433	2.2
123.08080	5.2
125.09626	7.5
128.06224	1.7
129.07008	6.8
131.08568	17.9
133.06548	2.0
133.10127	27.5
135.08061	14.4
135.11679	7.7
137.09610	5.8
141.06949	1.7
143.08578	5.5
145.06493	4.9
145.10141	20.4
147.08054	3.2
147.11687	13.7
149.09618	25.4
149.13194	1.6
151.11200	7.0
153.12715	1.6
155.08588	4.5
157.10112	6.0
159.08072	3.8
159.11711	12.3
161.09654	5.0
161.13234	2.3
163.07552	6.4
163.11180	26.1
165.12737	4.5
169.10121	4.3
171.11731	5.0
173.09680	5.7
173.13229	3.7
175.11220	3.4
175.14883	1.8
177.12720	3.9
179.10707	1.6
181.12244	2.0
183.11682	3.6
185.09610	1.8
187.11194	1.6
189.11208	3.6
189.12746	2.8
191.10831	1.9
191.14236	1.8
193.12256	15.2
197.13338	2.9
205.12308	2.8
211.14854	1.7
215.17964	1.8
223.13179	2.0
227.12894	2.8
229.19543	4.2
239.17999	9.4
243.17416	3.7
247.20599	3.6
257.19003	16.0
261.18597	3.2
271.16983	5.6
275.20074	100.0
289.18005	39.0
291.19446	2.3
293.21109	17.0
307.19080	7.3
327.33032	1.6
427.10257	2.0
438.95276	1.9
441.43573	1.8
471.32324	1.5
563.37201	3.1
581.38110	8.2
599.39587	7.5
642.90582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	1.3
53.03941	5.3
55.01873	7.0
55.05513	23.4
57.03429	2.9
65.03922	2.0
67.05506	30.2
69.03432	3.1
69.07066	13.1
69.89790	6.5
71.04988	3.8
79.05494	33.5
81.03415	7.3
81.07059	45.3
83.04983	9.5
83.08619	17.4
85.06545	2.1
91.05485	34.0
93.07049	23.2
95.04967	25.6
95.08604	19.4
97.06537	8.4
97.10189	7.4
103.05444	1.8
105.07034	33.5
107.04961	13.3
107.08599	18.5
109.06525	11.1
109.10162	9.1
111.08075	6.3
117.07030	12.8
119.08587	31.6
121.06487	6.2
121.10137	14.2
123.08069	6.4
123.11716	4.0
125.09627	5.1
129.07004	4.2
130.07805	1.5
131.08568	13.4
133.06499	2.6
133.10130	24.8
135.08080	8.4
135.11670	7.4
137.09601	4.0
139.11147	2.4
141.07025	2.6
143.08557	3.4
145.06493	2.6
145.10126	20.8
147.08012	5.8
147.11703	12.3
149.09621	20.9
149.13254	4.2
151.11189	5.1
153.09138	1.9
155.08499	3.6
157.10104	4.1
159.08028	3.0
159.11710	9.5
161.09634	2.9
161.13303	3.0
163.07603	1.9
163.11195	22.7
165.12787	4.7
169.10098	3.5
171.11679	4.0
173.09647	3.7
173.13283	4.8
175.11180	3.5
177.12749	3.2
179.10654	1.4
179.14374	1.4
183.11725	3.1
185.13248	1.7
187.11264	2.6
189.11235	4.7
191.10721	2.2
191.14198	1.6
193.12273	7.6
197.13168	1.5
201.12628	1.3
205.12352	1.4
223.13272	17.4
227.12823	2.3
229.19531	3.5
239.17993	6.4
247.20512	2.9
257.19003	10.3
271.16922	2.4
273.18481	3.6
275.20062	100.0
276.20413	1.6
289.17969	17.9
291.19525	10.4
293.21112	46.0
307.19135	4.2
365.15164	1.3
581.38098	4.0
599.39069	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	634.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.01868	14.0
55.05517	56.1
57.03438	12.8
57.07091	3.5
59.94876	2.7
65.03936	6.1
67.05511	77.0
69.03435	12.8
69.07071	28.9
70.73647	4.4
70.73986	6.3
71.04988	7.5
79.05501	73.2
80.05852	3.6
81.03437	19.0
81.07066	98.9
83.04977	18.4
83.08627	31.5
85.06564	6.4
91.05492	64.4
93.07060	50.7
95.04982	41.4
95.08618	42.6
97.06528	23.5
97.10177	13.2
105.04534	3.9
105.07038	57.7
107.04971	25.7
107.08617	34.6
108.09020	2.9
109.02959	2.9
109.06532	26.1
109.10162	29.5
110.10555	5.5
111.04446	7.0
111.08088	10.5
115.79604	3.0
117.07018	25.6
119.08592	52.4
121.02884	10.3
121.06529	13.8
121.10152	25.2
123.08099	13.9
123.11719	7.7
125.09654	18.8
129.07037	15.4
131.08578	25.3
133.06497	7.8
133.10129	34.7
135.08093	14.8
135.11693	13.7
137.09641	9.2
141.07007	6.1
142.07709	2.7
143.08565	9.4
145.06499	6.8
145.10150	30.6
147.08061	10.7
147.11662	22.6
149.09644	26.5
151.11182	5.1
153.09071	4.4
155.08456	3.1
155.10535	4.1
157.10165	6.1
159.08095	14.3
159.11661	18.8
161.09593	8.7
161.13257	4.9
163.07596	8.4
163.11201	27.5
165.12820	5.2
169.10205	8.0
171.11696	7.6
173.09665	5.7
173.11858	3.4
173.13277	8.4
175.11163	8.3
177.09093	3.3
177.12825	5.0
179.10654	4.2
181.12273	4.6
183.11758	5.1
187.11203	5.7
189.11261	10.3
191.10742	3.7
191.14391	3.6
193.12248	9.0
195.13930	4.2
197.13326	3.7
201.12791	4.7
215.14264	3.4
219.13927	6.1
223.13329	17.3
229.14389	4.1
229.16675	2.9
229.19269	4.0
233.15375	6.9
237.14790	6.1
239.18054	6.6
243.17285	2.9
247.20625	3.9
257.18942	10.9
261.18457	3.8
271.16946	9.6
273.18600	19.1
275.20120	100.0
289.18002	40.1
291.19559	21.1
293.21143	34.4
307.19092	16.3
367.20197	3.1
581.37958	4.3
616.39557	3.3
634.40582	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	634.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
55.01881	14.3
55.05515	44.5
57.03437	7.3
57.07064	2.9
65.03938	6.2
66.67630	2.8
67.05511	79.1
69.03422	10.2
69.07074	36.5
71.04982	8.1
75.30795	3.0
79.05499	76.8
81.03420	16.5
81.07063	86.0
83.04975	17.2
83.08250	2.5
83.08636	24.4
85.06525	6.8
91.05485	74.9
93.07050	70.0
95.04977	30.2
95.08619	39.9
95.09193	5.3
97.06522	24.8
97.10185	18.3
97.10699	3.5
99.08123	5.3
105.07037	65.8
107.04965	30.3
107.08601	45.3
109.02869	5.2
109.06538	18.0
109.10158	18.5
111.04444	5.0
111.08076	7.9
115.05472	4.6
117.07031	35.9
119.08592	57.2
121.02864	3.6
121.06533	18.3
121.10153	23.8
123.04425	5.3
123.08069	13.3
123.11703	4.0
125.06039	3.3
125.09621	12.8
128.06245	3.6
129.07025	15.2
131.08571	41.1
133.06483	7.3
133.10144	47.0
135.08054	24.6
135.11688	17.1
137.06015	3.7
137.09634	10.7
141.06961	6.6
143.08589	14.4
145.06461	6.1
145.10126	31.3
147.08049	9.6
147.11717	29.7
149.09596	31.3
149.13258	6.7
151.11198	4.0
153.09052	4.3
153.12747	4.0
155.08557	8.8
157.10085	16.7
159.08051	17.9
159.11684	25.6
161.09608	12.6
161.13243	8.9
163.07568	10.9
163.11177	18.0
169.10168	9.1
171.11737	6.5
173.09669	4.6
173.13280	10.6
175.11121	6.3
175.14732	3.3
177.09138	3.7
177.12891	5.9
179.14262	3.6
181.12283	6.8
183.11609	3.9
185.09677	4.3
185.13322	5.2
187.11288	5.4
189.09099	3.2
189.11179	8.9
191.10715	4.1
193.12280	35.9
195.13815	5.8
197.13196	4.0
199.14825	3.6
203.14264	3.3
209.11804	4.4
215.17953	3.5
221.11742	6.7
227.12830	6.8
229.19461	5.1
233.15387	6.2
239.12772	3.3
239.17953	11.4
243.17401	3.9
247.20616	6.6
253.15901	4.2
257.19003	20.4
261.18698	3.7
271.17010	17.3
273.18350	5.0
275.20096	100.0
289.17990	87.1
291.19751	8.1
293.15573	3.5
293.21091	9.0
307.19098	22.1
349.79025	3.3
449.36163	3.7
483.30878	7.0
581.38348	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	634.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95034	0.2
67.05481	0.3
71.22945	0.2
71.23288	0.3
79.05496	1.6
81.07063	1.2
82.06557	0.2
91.05466	0.3
93.05763	0.2
93.13318	0.2
96.50210	0.2
102.40327	0.2
106.06541	0.4
108.07459	0.2
108.08128	4.2
114.10044	0.2
117.06966	0.6
128.06242	0.3
129.06987	0.4
130.06535	1.6
131.07275	0.2
143.07278	0.6
143.08528	0.5
144.08089	14.7
148.03929	0.5
154.06516	1.6
155.07291	0.9
156.08054	0.7
158.09645	0.5
167.07291	0.7
168.08090	1.6
169.07602	1.5
169.08818	0.3
170.08255	0.5
170.09651	5.6
171.09180	5.7
172.11220	1.0
178.08575	0.4
180.08083	0.9
182.09709	0.9
193.08861	0.6
194.09596	0.3
195.09044	0.2
202.04980	0.5
205.08926	0.4
206.09665	0.3
207.09117	0.6
207.10687	0.4
207.25743	0.2
208.09935	0.8
210.09245	0.3
218.09605	0.4
219.10391	0.3
221.10750	11.2
222.11253	1.1
222.12802	2.0
223.12259	0.7
225.13869	0.5
226.08528	0.5
228.10190	0.3
234.07579	0.4
234.12894	0.3
235.12288	0.7
236.13095	2.6
249.13905	4.6
251.15445	100.0
252.15746	1.6
254.08224	0.3
256.09665	0.5
270.07187	0.2
271.08322	1.4
271.10831	2.1
275.15570	0.3
283.10867	0.2
286.10748	6.1
288.12329	0.8
303.15002	0.6
318.14780	0.2
335.17633	1.7
440.19824	1.1
448.15775	0.4
472.22375	6.9
602.24463	0.3
634.27551	7.4
635.27850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05491	0.3
56.24774	0.2
56.52831	0.3
65.03914	0.4
68.05007	0.4
71.04258	0.7
77.03925	0.3
79.05506	1.6
80.04989	0.3
81.07042	1.7
82.06557	0.4
82.47586	0.3
84.51373	0.3
88.28117	0.3
91.05448	0.8
93.05756	0.5
95.04940	0.4
97.06476	0.3
106.06573	0.4
108.08121	4.0
108.60590	0.3
117.06994	0.4
120.04472	0.3
121.06496	0.3
128.06198	0.3
129.06956	1.1
130.06523	2.1
131.07285	0.4
132.04408	0.4
132.08099	0.5
137.25986	0.3
143.07368	0.5
143.08575	0.9
144.08092	15.4
148.03984	0.5
150.05450	0.4
153.05428	0.4
154.06494	1.3
155.07309	1.8
156.08104	1.6
158.05952	0.9
158.09634	1.3
160.07553	0.4
166.08647	0.7
167.07269	1.3
168.08066	2.9
169.07597	1.3
169.08865	0.4
170.08263	0.8
170.09669	12.6
171.09175	4.6
172.11206	1.1
176.20338	0.3
178.08568	0.8
180.08101	1.5
181.08820	0.6
182.05890	0.3
182.09688	1.9
183.09094	0.5
184.07709	0.3
184.09827	0.5
184.11270	0.5
192.08096	0.5
192.10152	0.4
193.08841	0.6
194.09706	0.8
199.12309	0.7
202.04988	1.0
205.08797	0.5
206.09711	0.6
207.10435	1.0
208.07442	0.4
208.09737	0.7
208.11467	0.4
209.08110	0.9
210.09160	1.1
211.83861	0.3
218.09624	0.6
219.10481	0.3
220.09750	0.4
221.10744	12.5
222.13115	3.7
223.12247	0.7
226.08655	1.0
228.10008	0.6
232.11282	0.6
234.07658	1.4
234.11383	0.6
235.12306	0.7
236.07076	0.5
236.13135	3.0
237.46820	0.3
243.10590	0.3
247.12274	0.3
249.13893	7.9
250.14452	0.4
251.15450	100.0
252.15826	1.2
254.08084	0.6
256.09476	0.6
271.08344	2.4
271.10904	1.3
275.15375	0.9
280.09760	0.7
286.10751	10.4
288.12387	1.6
303.14890	1.7
323.17654	0.4
327.12076	0.5
335.17575	4.1
359.14801	2.0
440.19608	2.5
448.16327	0.7
472.22375	22.9
473.22931	0.7
602.25049	0.5
633.26294	0.3
634.27686	16.3
635.28168	0.5
645.32507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.8
55.01876	11.2
55.05271	2.8
55.05514	33.6
57.03429	6.0
57.07054	4.4
59.04996	3.1
65.03925	5.2
67.05509	86.4
69.03430	18.3
69.07073	15.9
70.69324	2.0
71.01320	2.8
71.04984	6.3
79.05019	2.5
79.05494	63.2
81.03416	22.2
81.07063	100.0
83.04986	15.9
83.08625	16.3
83.65317	1.6
84.66344	1.8
85.02898	4.4
85.06535	4.0
85.29312	2.1
91.05485	52.2
93.06491	3.0
93.07053	45.8
95.04982	34.7
95.08613	35.8
97.02888	4.9
97.06516	7.7
97.10176	19.6
98.21607	4.0
99.04455	2.5
105.07041	38.6
107.04950	17.2
107.08601	34.6
109.05804	3.0
109.06528	42.4
109.10167	47.1
111.04435	8.5
111.08105	5.5
113.05980	2.4
113.09666	2.1
115.05431	7.0
117.07013	21.7
119.05000	2.0
119.08581	38.1
119.84103	2.1
121.06486	15.5
121.10147	18.1
122.07271	5.7
123.04411	4.1
123.08090	13.7
123.11681	2.8
125.06028	3.1
125.09650	17.8
125.54542	1.8
127.71658	1.6
128.06216	4.9
129.07004	12.2
131.04951	3.2
131.08580	19.1
133.06454	8.8
133.10132	19.0
135.08043	16.5
135.11694	11.3
137.05980	2.3
137.09608	16.0
139.11185	2.9
141.06955	2.6
142.07735	3.5
143.08606	10.9
144.09264	2.2
145.06493	5.5
145.10114	19.2
147.04382	3.5
147.08029	15.6
147.11694	9.0
149.05974	3.1
149.09601	10.7
149.13213	2.5
151.07547	7.2
151.11189	2.2
153.09097	7.1
155.08574	6.9
155.10654	3.7
156.09340	2.7
157.10143	12.5
159.08052	8.3
159.11673	10.8
161.09628	16.9
161.13214	2.5
163.07550	3.3
163.11209	12.2
165.09108	7.2
169.10120	4.3
171.11655	9.0
173.09604	4.6
173.11752	7.5
173.13249	5.3
175.11195	5.0
175.14828	2.1
177.09200	3.4
177.12805	3.0
181.10155	3.1
181.12224	5.7
183.11687	4.6
185.13269	4.7
187.11223	3.8
187.14880	4.5
189.11215	11.4
189.12718	4.3
191.10646	5.0
193.12308	3.0
195.11656	2.6
197.13297	2.9
199.14763	3.0
201.12796	2.5
203.14299	4.0
207.13808	4.4
211.14827	2.2
213.12836	1.8
217.15852	3.2
219.13815	2.2
221.15408	7.9
223.13300	4.8
227.12764	4.5
227.17937	2.1
229.12416	2.2
229.14279	10.9
233.15309	2.3
237.16489	2.9
243.13811	2.6
249.14912	3.5
259.20651	3.6
261.14786	4.7
271.17004	5.8
273.18521	25.3
275.20044	2.6
278.34732	2.2
286.19205	2.6
289.18011	13.8
289.20883	2.3
290.18799	4.2
291.19592	56.6
301.21674	2.2
307.19070	6.8
308.20013	2.8
336.41922	2.0
351.23193	2.9
353.24612	3.0
369.24292	8.0
387.25272	3.1
448.30252	2.2
461.28986	3.4
489.35962	2.3
597.37836	5.3
615.38757	6.5
633.40289	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.05499	25.2
55.61827	5.3
59.04991	11.4
60.13298	5.5
63.81367	4.9
64.34245	5.6
67.05515	38.5
69.07075	12.9
71.49410	8.4
71.67460	5.4
79.05486	25.9
81.07061	50.8
83.05007	9.5
83.08611	32.2
91.05499	43.5
93.07049	39.0
95.04961	23.7
95.08612	29.8
105.07034	31.9
107.04961	6.4
107.08615	29.0
109.06532	9.8
109.10173	17.1
117.07017	19.9
117.35690	5.4
119.08610	44.8
121.10120	15.5
123.08071	6.7
123.11727	6.7
125.09630	9.4
131.08556	25.9
131.09415	5.8
133.10184	26.8
135.08022	9.8
135.11725	7.7
136.61595	6.1
137.09537	7.9
143.08632	8.0
145.10146	30.4
147.08144	5.6
147.11659	13.9
149.09625	26.0
157.10153	13.8
159.11673	17.2
163.11183	21.7
169.10124	9.4
171.11713	8.8
173.13263	9.6
185.13220	7.3
197.13397	7.9
223.13232	8.7
257.19077	12.4
268.79251	5.4
275.20050	100.0
276.20413	8.3
277.21417	13.0
293.21121	37.9
384.27673	6.0
632.43317	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	633.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86720	2.1
53.03937	6.2
54.43649	1.9
55.01880	13.3
55.05514	31.3
55.72736	1.9
57.03442	13.1
57.07081	3.2
59.04991	2.5
59.39925	1.9
65.03939	6.2
67.05506	100.0
69.03429	21.6
69.07067	17.8
71.01329	2.4
71.04993	5.3
73.02955	1.9
79.05494	52.2
81.03414	20.5
81.06593	4.3
81.07059	76.9
83.04977	18.9
83.08622	17.3
85.02925	5.7
85.06541	7.2
91.05482	55.7
91.06030	3.9
93.07055	47.9
95.04967	35.7
95.08612	41.0
97.02891	7.5
97.06524	8.4
97.10175	12.9
99.04442	2.9
99.08049	2.3
103.05495	2.4
105.07040	43.1
107.04962	30.7
107.08598	28.5
109.02891	4.9
109.06537	17.7
109.10162	47.4
111.04456	14.1
111.08089	6.0
112.05241	2.3
115.05480	3.0
116.06170	2.4
117.07022	19.9
119.04974	4.6
119.08587	34.7
121.06509	13.0
121.10145	23.0
122.07309	8.2
123.04444	3.2
123.08083	12.4
123.11731	5.9
125.06020	4.1
125.09630	10.5
127.03871	2.2
128.06223	9.0
129.05450	2.5
129.07021	14.3
131.04930	2.9
131.08580	25.8
133.06511	12.1
133.10149	22.6
135.08064	14.1
135.11678	12.0
137.09636	8.0
139.11150	2.1
141.07018	6.2
142.07809	4.0
143.08583	17.1
144.08058	5.0
145.06517	6.4
145.10147	23.1
147.08041	22.1
147.11699	9.1
149.09645	9.1
149.13229	5.0
151.07555	5.1
153.09074	3.1
155.08588	8.5
155.10617	3.3
157.06482	2.1
157.10135	13.4
159.08055	7.4
159.11710	14.6
161.09656	14.7
161.13266	5.8
163.03931	2.0
163.11182	13.0
163.14799	2.6
165.09088	5.4
165.12828	2.8
167.08582	3.3
169.10149	4.8
170.10886	2.3
171.07959	2.3
171.11700	8.7
173.09584	4.6
173.11749	10.6
173.13283	9.9
175.11217	7.0
175.14908	5.4
177.09178	3.0
177.12631	2.5
181.10245	2.7
181.12218	3.5
183.11647	5.7
185.13281	8.0
187.11186	4.2
189.11234	10.2
189.12749	4.5
191.10661	3.7
195.11769	2.7
197.09534	2.3
197.13251	4.1
199.11188	3.3
199.14940	4.0
202.15930	28.2
203.14317	5.5
209.13290	3.4
211.14891	2.4
213.12798	3.1
213.16435	3.3
215.14207	2.4
215.36166	2.0
217.15994	2.8
220.16933	2.4
221.15358	5.5
223.13222	2.9
227.12451	2.4
229.14342	11.4
233.15428	6.3
245.13869	2.8
249.14993	3.1
255.17410	2.8
261.18460	2.7
271.16827	2.3
273.18521	20.7
275.19922	2.4
277.21506	3.3
289.17935	5.0
290.18771	8.3
291.19543	49.3
300.13586	30.0
301.21576	3.6
307.18784	3.0
313.21643	2.9
323.18649	2.2
351.23303	4.2
369.24420	6.0
387.25421	3.6
405.26138	2.7
443.27502	3.1
461.29105	3.4
597.38123	5.0
615.38855	7.1
633.40027	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	632.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85607	16.8
55.05523	39.1
67.05499	69.5
69.07060	36.0
70.86010	14.4
74.09712	70.9
78.41128	17.8
79.05478	64.0
81.07058	100.0
83.04990	19.2
83.08627	41.2
83.09130	16.8
91.05477	59.6
93.07045	76.9
95.04977	33.0
95.08602	72.1
97.10184	22.0
99.17607	18.8
105.07035	77.1
107.05021	23.6
107.08579	54.3
117.07026	30.3
119.08598	47.4
121.10110	38.4
131.08521	23.5
133.10071	32.8
135.07965	23.5
145.10100	32.7
149.09608	28.6
157.10184	20.8
159.11758	25.3
163.11183	36.9
275.20114	52.6
290.18781	19.8
291.19485	59.9
295.96365	19.7
307.22427	21.9
366.25958	23.0
428.46439	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	632.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.2
55.01883	19.1
55.05516	39.6
55.41999	3.3
57.07078	4.6
58.79905	2.6
61.55933	2.9
65.03951	5.9
67.05508	65.2
69.03428	9.6
69.07075	28.0
70.04953	12.6
71.05000	7.4
79.05492	67.9
81.03425	21.4
81.06590	6.1
81.07060	100.0
83.04968	16.0
83.08617	16.2
85.06532	6.5
91.05482	73.8
93.07050	58.4
95.04967	27.0
95.08612	31.2
97.06529	12.7
97.10191	22.6
103.05472	3.8
105.04516	3.5
105.07038	64.1
107.04953	26.0
107.08608	45.8
109.02878	7.1
109.06529	20.5
109.10142	31.2
109.84836	2.5
111.04461	7.8
111.08112	6.0
115.05473	5.2
117.07022	29.3
119.08596	41.1
121.06510	22.4
121.10161	12.1
123.04459	9.5
123.08089	12.9
123.11751	4.9
125.05936	4.9
125.09676	17.2
128.06239	6.6
129.07011	16.2
131.08580	26.7
133.06503	9.3
133.10139	47.1
134.10361	3.1
135.04376	4.1
135.08047	27.9
135.11713	14.8
137.09663	9.9
139.11235	3.3
141.06978	4.7
142.07846	3.6
143.08565	16.5
145.06499	12.7
145.10143	22.6
147.08075	17.6
147.11691	9.7
149.09621	17.9
151.07562	4.7
151.11157	22.5
153.09073	5.0
153.12730	4.2
157.10138	13.1
159.08075	14.9
159.11719	6.7
161.09601	32.3
163.07608	15.3
163.11154	18.5
165.09113	7.3
165.12714	3.8
169.10103	5.3
171.10265	2.7
171.11729	10.6
173.09671	4.7
173.13329	4.4
175.11166	6.2
177.09193	2.8
177.12746	4.0
179.10638	5.3
181.12268	6.8
183.11729	3.4
185.13271	3.7
189.09351	3.4
189.11234	12.2
189.12810	4.5
191.10710	4.6
191.14275	3.3
193.12262	79.5
195.11639	4.8
197.13217	3.6
199.11168	3.8
203.14288	3.1
205.12151	4.0
207.13937	3.2
209.11827	3.5
221.11711	3.1
221.15410	3.9
227.12915	3.9
243.17451	7.6
245.19008	7.0
251.16508	2.8
255.17508	6.8
261.18500	5.4
263.12805	3.9
263.20297	6.1
271.16995	16.1
273.15536	6.4
273.18497	94.0
274.18823	3.7
275.20245	6.9
289.18002	96.3
291.19562	50.4
306.28088	3.2
307.19055	28.9
332.01819	3.1
336.40594	3.3
343.18924	4.7
387.21667	3.3
485.28992	5.1
520.35315	3.0
579.36499	8.6
597.38098	21.2
619.21564	3.3
632.43188	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	632.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01878	11.3
55.05519	26.9
57.03428	3.9
57.07076	3.0
59.05002	3.7
65.03942	3.4
67.05183	2.8
67.05512	33.3
69.03434	7.0
69.07069	22.4
71.04982	3.8
79.05077	2.7
79.05502	30.2
81.03416	6.0
81.07063	37.1
83.04998	6.7
83.08618	11.3
87.77147	2.0
91.05486	28.1
93.07050	27.2
93.16432	2.1
94.07397	2.4
95.04967	14.1
95.08607	17.4
97.02917	4.8
97.06529	5.4
97.10183	12.6
98.20718	4.0
105.07039	24.9
107.04954	13.5
107.08608	15.3
109.06529	7.8
109.10165	13.0
111.04469	3.8
111.53365	1.9
113.06052	2.1
115.05488	2.0
117.07042	12.9
119.04945	3.0
119.08581	24.0
121.06483	4.2
121.10110	11.4
123.04431	2.5
123.08086	10.7
123.11741	2.5
123.52988	2.5
125.05988	2.2
125.09644	8.8
128.06232	3.1
129.07025	8.4
131.08583	14.6
133.06516	6.7
133.10165	14.2
135.08087	14.1
135.11725	6.6
137.09653	2.9
143.08600	7.5
145.06541	4.4
145.10095	11.4
147.08069	7.9
147.11711	7.1
149.09599	6.9
151.07555	2.6
157.10155	9.1
159.08070	4.2
159.11707	8.6
161.09616	8.3
163.07494	5.1
163.11218	8.5
165.09108	2.9
169.10164	2.3
171.11766	4.7
173.13446	2.1
175.11183	3.1
181.12248	7.7
183.11758	3.0
184.07602	2.4
187.11108	2.6
193.12273	20.1
198.14920	2.5
205.12241	2.3
221.11734	2.5
221.15414	4.4
223.13321	6.6
239.18095	2.4
249.14899	4.6
263.20111	3.8
271.16968	4.6
273.18546	19.5
275.20026	4.9
289.17996	40.6
291.19562	100.0
307.19058	8.2
579.36658	6.8
597.37946	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
55.01862	10.4
55.05516	36.2
56.25406	4.0
57.03444	6.5
57.07067	11.7
58.42767	3.4
59.04996	8.7
65.03934	6.0
67.05180	5.5
67.05511	59.3
69.03431	13.4
69.07071	19.9
71.04978	10.2
71.48769	3.6
71.49177	4.6
73.06557	5.9
79.05070	5.3
79.05501	64.8
81.03415	10.8
81.07066	97.6
83.05002	27.7
83.08615	32.6
85.06555	12.2
86.73090	4.0
87.04461	8.5
91.05487	62.1
93.06501	4.1
93.07056	58.4
95.04981	38.9
95.08611	38.4
97.06542	26.0
97.10174	17.3
105.07042	71.1
107.04960	16.0
107.08601	56.7
109.02883	3.9
109.06525	27.0
109.10161	29.3
111.04446	9.1
111.08066	12.2
113.09634	8.8
115.05462	7.1
117.07011	21.1
119.08588	66.1
121.06514	14.6
121.10163	42.7
123.08073	26.8
123.11690	7.4
125.06026	18.2
125.09636	29.1
128.06235	13.4
129.07005	13.3
130.07779	5.2
131.08588	36.3
133.06487	8.6
133.10149	42.2
135.08063	24.0
135.11705	11.4
137.09628	11.9
138.36333	3.6
139.07562	3.7
139.11188	9.3
141.07008	8.4
142.07780	13.3
143.08597	31.8
143.10654	15.0
144.09351	5.0
145.06493	13.3
145.10136	56.8
147.08058	22.0
147.11703	16.9
149.09637	18.8
151.07530	10.5
151.11148	3.8
153.09097	7.0
155.08577	11.3
155.10664	7.6
156.09351	8.5
157.10153	41.4
159.08081	16.3
159.11710	20.4
160.08855	26.3
161.09622	19.2
161.13199	5.4
163.07599	7.4
163.11177	36.2
164.11528	7.1
165.09151	13.1
167.08583	7.7
167.10709	11.4
169.10135	24.3
171.08063	3.6
171.11635	18.2
173.09671	10.5
173.13240	9.7
175.07550	5.4
175.11174	8.7
175.14874	4.5
177.05653	3.9
177.12816	4.2
179.08664	7.5
180.09375	4.8
181.10147	8.8
181.12242	48.7
182.11046	8.9
182.12596	10.1
183.11671	18.8
184.56215	4.2
185.09746	4.0
185.11720	20.0
185.13298	10.6
187.11244	4.6
187.14917	7.1
189.09163	4.5
189.11188	7.5
189.12746	9.1
191.10738	6.5
193.10130	8.5
195.11737	16.9
195.13510	3.2
196.12421	7.8
197.13318	18.8
199.11166	7.8
203.14328	7.7
207.11780	6.7
209.13283	9.9
211.14803	8.6
213.12743	6.9
215.14301	11.3
221.13312	6.9
221.15393	21.0
222.15829	5.7
225.16328	6.6
229.15938	4.7
233.13304	4.8
233.15410	16.8
243.17465	5.6
255.17447	19.1
261.18643	4.0
263.17712	4.0
271.16980	10.1
273.18515	28.1
285.18536	3.9
286.19388	5.0
289.18015	43.1
291.19577	100.0
319.42212	4.5
367.26367	4.1
372.53738	3.8
385.46622	3.7
491.36978	18.8
632.44800	19.4
633.39203	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	632.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01870	3.6
55.05518	8.4
56.05035	1.4
58.99591	10.3
60.50930	0.9
67.05508	9.4
69.03431	2.6
69.07070	10.0
71.10826	2.6
74.00658	2.4
76.02235	31.2
76.03987	3.3
76.94881	0.8
79.05114	1.0
79.05500	7.6
80.05011	2.1
81.03419	2.0
81.07063	16.1
83.05000	2.8
83.06097	4.0
83.08622	5.0
84.04508	11.9
85.04031	1.7
85.06547	0.9
86.99063	3.7
88.02202	1.7
91.05482	6.7
92.88261	0.9
93.07055	6.9
95.04972	2.7
95.08607	5.2
96.04479	1.5
97.01120	3.2
97.02887	1.6
97.06541	2.6
97.10165	6.2
98.00607	1.0
99.05558	1.1
99.16258	0.9
100.02201	1.3
105.07027	4.5
106.06499	1.0
107.04961	2.4
107.08574	5.2
108.08114	1.1
109.06506	4.2
109.10167	2.9
111.02631	1.7
111.04456	1.3
111.08095	1.6
112.02203	5.2
113.00603	3.4
114.03773	2.8
115.02179	1.1
116.01691	15.8
117.07027	2.1
118.83639	0.9
119.08617	5.1
120.08131	1.0
121.06487	2.1
121.10129	2.3
122.09713	1.1
123.02702	1.3
123.08067	3.6
124.02193	6.0
125.04216	1.4
125.09641	4.5
126.03731	4.2
127.02163	1.3
129.06668	3.3
130.05043	5.5
131.04556	1.2
131.08574	2.7
133.10143	2.9
135.02612	1.0
135.08055	3.7
135.11673	2.4
136.02199	1.4
137.09573	1.4
138.03726	1.9
140.01678	1.9
141.04802	1.2
142.03221	4.3
143.08559	2.1
144.01166	6.6
144.08104	4.5
145.06154	2.9
145.08441	2.7
145.10120	3.0
147.08020	1.3
149.04291	1.4
151.05701	1.1
152.05379	1.4
152.10693	1.1
153.06619	1.1
153.09109	1.5
153.12787	2.4
157.10147	1.3
159.08064	1.8
161.09634	2.5
162.02205	13.8
162.03510	1.5
163.03871	1.1
163.05824	1.3
163.11195	1.7
168.04712	1.1
170.02724	2.3
175.05891	1.1
175.11234	1.1
177.03345	4.2
177.07346	1.3
177.71941	0.9
179.04878	15.7
181.06104	1.0
185.03864	3.1
187.05400	3.7
189.03465	1.0
189.11241	1.7
192.08405	2.7
193.06808	2.6
193.12216	2.7
194.10008	4.9
204.08430	1.5
205.06955	1.3
215.04884	2.3
219.08441	1.3
222.09532	2.1
224.11069	2.5
225.09491	1.3
227.12808	2.6
230.12160	1.2
231.04445	7.4
233.05917	6.8
236.11041	1.0
238.12503	2.0
240.10538	3.4
241.11258	1.6
242.12007	1.8
245.09750	1.2
248.10918	1.0
249.13766	1.2
254.12056	3.9
256.13446	1.5
257.07635	1.0
262.14459	0.9
266.12128	3.4
271.17026	0.9
278.12222	5.1
284.13284	2.0
289.18015	8.4
291.06610	1.0
295.18149	0.9
297.12637	1.2
303.14154	2.4
307.19073	3.4
308.09164	7.2
311.14130	5.6
312.12543	1.5
319.17368	0.9
321.15277	9.9
345.14737	1.2
346.18353	7.9
347.16803	3.3
357.14865	8.4
364.19391	22.6
365.17914	7.8
369.14832	3.5
382.20490	7.7
383.18442	1.2
387.11954	1.2
392.18762	2.1
400.21265	1.2
405.13068	2.0
412.19394	1.1
423.14331	1.2
449.21051	2.5
459.16953	1.3
467.22177	26.6
485.23218	100.0
486.23636	2.1
521.23212	2.2
533.22949	1.4
557.25378	11.0
596.26379	2.6
600.24969	1.9
614.27515	1.6
632.27814	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	631.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
61.19225	1.1
67.05503	2.5
68.05046	1.4
69.03429	1.3
69.07082	6.3
70.78996	3.0
74.00504	1.4
78.04707	1.5
79.05483	2.7
88.01740	1.2
91.05519	1.4
93.07044	1.3
94.06587	7.8
95.04988	1.8
108.08125	6.1
109.06507	1.5
112.07607	2.3
117.07035	1.7
122.06044	23.5
123.04423	1.9
123.38071	1.2
130.41525	1.1
140.07079	37.9
144.04395	3.1
144.08084	27.6
146.06018	12.4
148.07561	3.4
152.10712	2.0
162.05489	2.8
163.03943	7.6
167.07153	1.6
172.03966	18.1
173.04727	2.9
174.05534	20.9
176.07088	5.5
181.04939	2.3
182.09602	2.3
184.09880	1.7
190.04974	3.9
197.10721	2.8
204.06560	33.8
204.08475	1.8
206.08102	12.8
206.09727	1.9
209.10692	1.6
210.09174	2.2
211.08832	2.7
225.10239	6.8
227.11801	11.6
237.10178	2.1
238.10992	1.9
239.11790	4.5
241.09663	2.4
241.13416	1.6
251.11841	3.9
253.09741	3.5
261.12469	2.9
263.08392	1.6
265.09781	2.9
267.11237	1.4
269.12894	13.6
271.10779	5.2
277.09732	2.5
278.15463	1.8
279.11243	2.6
283.10739	11.2
284.11487	5.3
285.12244	5.9
287.10947	2.6
287.13937	32.4
288.14923	1.8
295.10767	1.8
295.18085	7.2
297.12262	2.2
301.12085	2.8
310.13016	1.5
312.15259	2.0
313.11829	41.3
314.12589	2.8
315.13553	1.8
316.14490	5.9
326.16528	1.9
328.14438	4.0
329.11688	3.1
329.15369	2.5
330.12573	1.9
330.16031	7.9
331.12927	7.8
331.16843	6.3
340.14496	1.4
342.12390	6.1
343.13037	2.9
344.13818	2.0
344.17471	6.4
345.14520	18.0
355.13983	1.9
356.13974	4.1
357.14737	2.8
358.15533	9.0
365.11163	1.8
370.11435	3.1
370.15515	4.5
372.17014	4.9
380.14081	1.7
382.11484	3.3
383.13388	1.9
384.13284	14.2
385.14230	2.7
386.14825	3.9
386.18997	2.3
388.16904	1.7
390.18018	5.5
397.14508	1.8
398.14981	15.6
399.15866	24.7
400.11743	2.4
400.16589	33.0
402.14349	3.1
412.16574	1.9
414.18149	6.0
416.16260	2.7
417.16891	7.3
418.17688	10.4
430.17627	3.5
431.18289	2.3
440.16043	5.2
458.17172	45.7
459.17947	23.4
460.18637	6.9
467.22449	1.5
485.22885	3.8
490.19632	5.4
491.20438	3.6
557.23956	3.6
581.23816	7.1
599.25037	100.0
600.25208	2.4
631.26569	30.6
632.26794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
67.05499	3.0
69.03439	1.3
69.07072	5.3
69.96295	4.0
71.62534	0.7
79.05491	2.1
81.03426	1.5
81.07043	1.9
85.02934	1.1
89.85473	0.7
90.90407	0.7
91.05473	2.0
94.06571	5.7
95.04966	2.0
99.95898	0.8
105.07078	0.8
106.06465	0.9
107.04979	1.4
107.08575	1.5
108.08125	1.9
110.06018	0.8
112.07617	1.4
116.05027	0.9
117.07067	0.8
119.08583	0.8
120.04443	0.8
121.10137	1.5
122.06024	18.2
123.04467	1.0
131.08568	1.2
133.10144	0.8
134.05981	1.1
140.07068	28.6
144.04485	3.0
145.10133	1.2
146.06004	9.1
147.06790	0.8
147.11636	0.8
148.07594	2.2
152.07077	1.1
153.05556	0.9
162.05521	2.6
163.06396	1.3
172.03941	14.8
173.04764	2.6
174.05507	14.5
176.07080	7.0
190.05006	3.0
191.05853	0.8
191.07649	0.7
192.06531	1.0
197.10764	2.3
204.06560	22.6
206.08105	9.2
211.08733	2.3
212.09427	1.9
222.45807	0.8
223.08698	1.1
223.12267	0.8
224.09412	1.1
225.10188	5.5
227.11761	10.6
237.10294	3.3
238.11069	2.0
239.11780	4.0
241.09819	1.2
241.13472	1.3
243.11208	0.8
249.10310	1.7
251.11885	2.1
253.09785	2.9
253.27649	0.7
261.12381	3.0
263.08191	0.9
264.09201	1.1
265.09772	2.3
267.11340	2.1
269.12854	11.3
271.10782	5.4
277.09711	1.5
279.11237	2.0
283.10764	8.2
284.11533	5.6
285.12338	4.8
287.13928	23.0
295.10818	1.4
296.11731	1.3
297.12485	3.1
300.12158	1.4
301.12238	2.9
302.13052	1.0
313.11774	27.7
314.12875	2.7
315.13718	2.6
316.14508	6.5
317.15179	1.4
323.10403	1.2
327.17471	1.1
328.14581	2.8
329.11673	3.0
329.15372	2.9
330.12360	3.0
330.16119	5.8
331.12946	6.5
331.16885	8.7
332.17630	1.8
340.14709	1.6
342.12369	5.6
342.16159	1.1
343.13193	4.8
343.17038	0.9
344.14053	1.5
344.17645	4.7
345.14478	13.8
354.16125	1.3
356.13913	4.2
357.14960	2.3
358.15524	8.4
367.13654	1.0
370.11761	1.7
370.15643	3.5
371.16583	1.0
372.17145	4.2
380.14127	1.2
382.11871	2.3
382.15991	1.2
383.13080	2.7
384.13348	12.1
384.17502	1.3
385.14029	4.2
386.14447	3.9
386.19287	3.6
388.16693	1.3
390.18121	5.3
396.17407	1.0
398.15002	13.7
399.15753	21.9
400.16571	31.9
402.14539	2.3
403.19211	0.9
412.16666	2.2
414.18149	6.3
415.18924	2.2
416.16229	2.8
417.17056	6.8
418.17651	5.5
430.17596	2.4
431.18561	1.5
440.16165	3.4
441.16681	1.4
444.15643	3.4
458.17102	31.9
459.17868	17.4
460.18646	4.5
490.19699	6.6
491.20764	2.8
508.20782	1.4
555.26318	1.7
557.23792	3.4
581.24030	8.3
599.25031	100.0
600.25598	3.7
631.26410	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	630.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01858	3.9
55.05514	20.7
57.03437	3.2
57.07073	6.8
59.82736	3.1
62.43214	3.2
63.33592	3.0
67.05507	35.4
69.07061	12.1
71.49341	3.0
75.04490	3.9
79.05491	28.1
79.21739	3.2
81.03432	6.5
81.07049	32.9
83.04985	8.9
83.08618	13.6
85.06522	3.3
91.05486	27.3
93.07052	19.5
95.04969	13.6
95.08596	24.1
97.06538	5.6
97.10186	7.5
105.07042	36.0
106.07362	3.6
106.90851	3.5
107.04951	11.3
107.08605	19.2
109.06569	7.4
109.10145	10.8
111.08097	5.0
117.06994	9.0
119.08576	22.6
121.10171	15.4
122.39398	3.4
123.08056	4.0
123.11797	4.0
125.09624	5.3
129.07022	3.7
131.08560	14.1
133.10118	22.4
135.11668	9.8
141.06966	3.5
145.10075	17.4
147.11691	11.7
149.09621	13.8
151.11165	5.5
154.48346	3.8
159.11673	10.6
161.09554	4.3
161.13297	3.9
163.11168	10.2
173.13338	4.6
175.14784	5.5
179.14307	8.6
181.12332	3.8
219.17453	15.2
221.15375	4.5
223.13211	21.6
257.19025	7.4
275.20068	100.0
293.21063	41.5
294.21378	4.8
612.46973	5.7
630.48657	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	630.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	16.2
55.05513	47.5
55.18515	10.7
57.18579	9.8
58.15961	9.0
67.05508	66.3
69.07063	18.4
69.80507	48.1
71.08617	14.0
72.08150	9.0
75.04494	12.8
79.05485	57.6
81.07056	88.6
83.08597	25.4
84.33493	9.6
89.06020	18.7
91.05467	40.9
93.07055	67.8
94.89345	9.8
95.04951	15.6
95.08589	39.3
97.06521	15.9
97.10162	19.8
98.20824	11.0
105.07024	36.6
107.04941	11.1
107.08573	33.1
109.06529	25.0
109.10135	20.9
117.06989	19.9
119.08566	49.6
121.10132	22.7
124.46358	11.0
125.98058	12.2
130.07831	9.2
131.08603	18.9
133.10123	23.2
145.10114	24.0
147.08080	12.0
147.11653	10.8
149.13199	10.1
159.11665	17.8
165.12802	12.3
177.12711	10.6
273.18509	32.6
275.19968	12.1
291.19537	100.0
367.14389	11.6
532.40814	17.4
630.48450	18.5
654.15100	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
67.05501	7.4
69.07064	5.2
69.95185	2.0
70.87858	2.2
71.04986	5.5
71.48521	3.6
79.05479	9.1
81.03423	3.7
81.07050	18.0
83.04963	6.7
84.21531	1.9
85.02904	7.1
91.05490	4.7
93.07055	18.5
95.04972	5.1
95.08616	24.4
97.02844	3.4
97.06548	11.0
99.04460	15.6
103.96898	2.5
105.07048	11.0
107.04938	7.8
107.08572	8.6
109.06540	15.9
111.08080	7.9
119.08547	3.8
121.06517	39.0
121.10085	2.7
123.04414	3.9
123.11671	5.0
125.05961	8.6
127.07546	7.0
133.10104	7.3
135.04462	3.0
135.08037	5.1
137.05989	4.0
139.07559	11.0
143.06995	3.6
143.08583	2.7
145.10117	3.8
147.11690	19.9
151.07477	2.6
153.01801	8.4
154.80138	2.3
157.08655	4.7
157.10112	9.4
159.06535	7.3
161.05898	2.9
161.13295	4.2
165.12752	8.1
169.12250	10.7
171.11726	5.9
175.11150	12.4
189.12727	11.7
193.12239	15.4
199.11203	19.2
202.03427	2.6
207.13783	9.4
211.13293	15.5
217.12257	42.7
229.14354	8.5
235.13289	52.0
253.14363	100.0
271.15430	25.9
289.16452	43.2
292.64569	2.4
302.92581	2.3
303.05109	3.7
304.05374	7.5
315.05185	2.6
316.05316	3.2
598.47675	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	630.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.3
55.01874	1.3
57.03442	1.4
61.02927	1.3
67.05507	0.5
69.03439	2.4
69.76825	0.8
69.77223	0.5
71.01347	0.5
73.02923	6.9
79.05495	2.6
81.03416	0.7
81.07063	1.6
83.01339	1.5
85.02908	3.4
91.05488	1.9
93.07040	1.9
95.04944	0.5
95.08620	0.6
97.02901	3.4
98.20808	0.3
98.21352	0.7
103.05470	0.8
105.03402	1.8
105.07043	7.9
107.04955	0.7
107.08612	0.3
109.02904	0.4
109.06563	0.5
111.04455	0.5
115.03976	1.6
115.05449	0.8
117.07031	0.7
118.73408	0.3
119.04910	0.5
121.49853	0.3
123.04404	0.4
123.08052	0.9
127.03931	1.3
131.04935	0.3
133.05002	1.6
133.06493	7.6
135.08081	0.5
137.05971	0.3
145.05008	1.4
149.05965	0.4
151.03902	0.8
151.07549	1.4
161.05997	17.8
163.05980	0.6
177.05566	0.3
179.07043	100.0
180.07397	1.2
197.08110	4.7
241.07062	0.4
283.09586	0.5
299.09113	0.4
301.10706	2.7
319.11862	1.0
379.59134	0.3
415.13498	0.4
433.14813	0.3
438.50351	0.3
520.70483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.1
62.10299	1.6
63.85723	1.5
67.05516	3.4
69.07073	3.6
70.21558	5.3
79.05490	2.5
81.07038	2.7
83.08577	1.3
84.23134	1.3
91.05499	4.3
98.21454	1.8
105.07063	3.1
133.10153	1.8
152.57388	1.3
163.03976	2.9
167.07091	1.7
181.04947	2.3
181.30847	1.4
193.08661	4.1
209.08273	1.6
211.08849	1.8
212.09669	1.4
221.10783	3.0
235.08603	2.7
236.09451	1.9
248.09525	2.0
249.10251	17.9
250.11079	2.3
251.11815	5.7
261.10303	1.8
263.08197	4.2
277.09784	6.9
279.11246	2.3
295.10724	2.3
307.11737	1.5
309.12402	3.7
310.13260	1.8
313.12173	2.6
323.10474	3.7
323.14041	8.6
324.14935	2.1
326.13086	3.0
327.13580	2.6
328.14505	5.2
338.16577	3.4
339.17630	3.5
340.10904	1.8
340.14584	3.0
340.18073	1.7
341.11636	7.9
342.12283	4.2
342.16107	4.8
343.12988	2.1
353.12268	1.8
354.12482	9.7
354.16101	2.0
355.13174	9.6
356.13989	20.8
357.14755	3.3
366.16245	2.5
367.12857	2.0
367.16870	6.9
368.14011	8.0
369.14743	7.1
370.15485	11.9
380.14050	7.9
382.11670	3.7
382.15787	2.3
383.12634	2.7
384.12772	7.2
384.17563	7.7
385.17569	1.9
386.18817	2.7
396.13559	8.5
397.14612	2.2
398.14301	13.3
398.19666	10.4
401.13788	12.1
410.14767	2.0
412.16611	7.4
414.14368	7.5
416.16095	5.4
426.18140	2.4
428.16159	2.6
429.17047	6.9
430.17868	7.6
438.14627	7.2
439.15051	2.2
444.19284	14.3
456.15753	10.4
457.16287	27.1
458.17139	28.4
471.17365	1.8
474.16699	4.1
482.12323	1.6
488.18115	17.0
489.18988	100.0
490.19785	29.3
579.13586	1.6
579.22522	6.3
597.23407	16.2
611.24994	5.6
617.54340	1.6
629.26215	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49148	0.8
58.99871	1.2
68.98288	1.1
69.37810	7.1
70.43320	0.8
70.99859	1.2
82.99853	3.1
85.02883	0.9
89.03940	2.6
92.03903	0.8
94.99831	1.7
97.01369	0.9
98.97556	0.9
101.00885	28.9
113.00877	9.9
115.02440	7.2
117.03399	3.3
119.01052	1.8
119.01921	28.6
127.02404	2.4
129.00394	1.3
129.03990	3.2
131.01915	21.0
131.05553	10.9
133.03528	4.3
135.04442	4.4
137.00858	3.8
137.02950	1.4
143.01903	100.0
144.02023	1.2
145.03610	6.7
147.01411	1.7
147.05022	4.3
148.25316	0.9
149.02951	1.5
149.06593	9.6
153.18127	0.9
155.01901	33.5
155.03140	1.9
155.05486	4.4
156.02707	2.2
157.03499	4.0
159.04999	4.1
161.02960	83.0
162.03157	1.2
163.02567	2.0
163.03906	32.2
164.04230	2.8
165.06123	1.0
167.05595	3.1
169.03500	2.3
169.07153	2.1
171.05066	3.3
173.02965	21.9
173.06596	38.5
175.04536	1.7
177.06125	6.0
184.04610	1.2
185.03035	2.9
185.06604	42.9
186.06731	1.2
187.04607	2.1
187.08171	6.6
191.07631	7.9
193.03362	1.2
195.05115	1.8
197.02902	1.3
197.06653	3.7
199.08223	3.3
201.06119	2.7
203.02228	1.5
203.04031	10.2
203.07649	20.2
205.09254	1.2
209.06682	2.1
215.07640	15.9
217.09251	1.4
221.02980	13.5
221.05141	20.4
227.07663	4.4
233.08723	4.4
239.04015	2.4
257.05151	2.7
257.08725	7.7
263.04034	2.2
271.04559	3.0
273.77411	1.0
275.09738	36.1
276.10068	1.2
281.05072	2.4
289.05960	1.2
293.10852	58.7
307.06729	2.0
311.09866	3.2
349.07242	1.1
365.07285	2.8
377.07404	2.7
387.11227	1.1
395.08191	4.5
403.14444	0.8
405.12521	2.7
413.13348	1.3
431.13959	7.0
437.13135	16.2
449.15067	8.3
455.14005	85.8
456.14224	2.0
562.60864	1.0
569.13348	4.7
611.18188	6.6
629.19250	64.6
630.19434	2.6
636.84192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	9.2
55.01874	11.2
55.05507	28.5
57.07077	8.5
67.05499	46.2
69.07073	18.2
71.50414	14.3
79.05484	47.4
81.07056	56.0
83.08632	21.1
86.92823	7.7
89.06022	39.2
91.05502	40.6
92.05811	8.3
93.07034	39.1
95.04966	16.5
95.08606	35.2
97.10178	11.4
105.07033	33.0
107.08595	26.1
109.06538	11.5
109.10126	19.6
110.70829	7.8
117.07028	12.9
119.08583	26.5
123.08035	13.5
123.11760	8.0
125.58805	7.6
131.08591	19.6
133.08632	13.8
133.10149	20.4
135.08051	12.6
136.04025	12.3
145.10153	19.0
147.11696	11.7
149.09637	24.1
161.13249	11.1
163.11211	23.3
173.13251	8.2
175.15012	7.8
177.69142	9.3
223.13405	13.2
237.97665	8.5
275.20099	100.0
293.21179	57.9
294.21490	13.8
404.12015	11.8
415.25467	13.6
628.46606	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.8
55.01867	14.1
55.05275	2.9
55.05513	39.3
57.03430	9.6
57.07054	6.9
57.51944	2.2
65.03933	3.9
67.05505	100.0
69.03418	3.8
69.07069	33.3
69.90054	2.3
71.04971	6.2
71.08625	2.9
71.48895	3.4
77.03904	2.6
79.05495	73.7
81.03394	5.4
81.07059	91.8
82.36012	1.9
83.04982	11.0
83.08612	18.7
85.02830	2.4
85.06543	4.6
85.10149	2.2
91.05481	68.3
93.07046	74.0
93.07638	3.6
95.04955	12.4
95.08605	61.3
97.06535	22.1
97.10162	8.9
99.08071	5.6
105.04538	3.7
105.07037	61.8
107.04945	11.6
107.08592	44.2
109.06490	7.3
109.10154	27.5
111.08057	5.7
117.07014	20.8
119.08578	41.9
121.06478	3.9
121.10147	30.2
123.08070	8.5
123.11697	8.4
125.09603	10.3
129.07016	8.5
131.08572	28.5
133.06421	2.5
133.10141	35.1
135.08055	7.6
135.11705	19.6
137.09624	4.7
137.13370	2.6
143.08589	6.0
145.10123	28.2
147.07970	2.6
147.11705	24.7
149.09583	16.3
149.13260	9.0
155.08560	3.1
157.10095	9.1
159.11697	19.7
161.09610	2.3
161.13220	7.0
163.11177	6.4
163.14842	3.4
165.09154	2.7
169.10103	7.7
171.11670	7.9
173.13280	9.6
175.14888	3.4
177.12811	3.4
179.14340	7.1
182.10786	2.1
183.03232	2.2
183.11713	7.7
185.13280	7.2
187.14851	4.3
189.11226	4.6
191.14255	2.8
195.04778	2.3
197.13213	3.9
199.14842	2.3
209.15398	4.6
213.16364	3.3
215.17978	2.5
219.17363	3.2
227.12737	9.0
227.17920	2.2
228.51369	2.2
239.17943	3.4
257.18961	9.4
261.22156	7.9
273.18500	4.3
275.20078	60.2
277.21768	3.8
291.19434	6.4
292.69635	2.3
293.21182	5.1
303.23495	2.9
317.24921	2.5
333.24304	2.4
335.25894	34.8
349.23737	22.0
388.18793	2.3
515.37256	4.7
529.38556	23.5
535.41913	3.2
558.95782	2.3
609.45001	38.9
626.65454	3.3
627.46332	35.8
628.46930	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.4
55.01865	22.5
55.05517	41.6
57.03432	7.7
57.07059	8.7
58.06604	5.4
59.00885	4.9
61.00983	4.5
67.05186	8.3
67.05508	100.0
69.03434	8.1
69.07066	39.9
71.49156	9.1
79.05499	88.3
81.06594	7.5
81.07054	99.2
83.04974	8.0
83.08614	15.5
83.14920	4.6
85.06535	6.1
88.93880	5.0
91.05484	72.7
93.07050	86.9
95.01321	7.4
95.04971	14.8
95.08614	69.5
97.02894	6.0
97.06524	34.0
97.10175	12.2
103.50995	5.9
105.04560	6.1
105.07033	82.9
107.04948	28.0
107.08603	52.4
108.67567	5.1
109.06532	11.7
109.10148	25.3
117.07013	20.0
119.08592	49.9
121.10152	28.6
123.08025	6.6
125.09634	7.8
131.08609	27.9
133.10139	47.5
135.08037	5.6
135.11662	19.9
142.86887	4.7
145.10130	30.4
147.11696	14.5
149.09628	10.4
149.13232	5.0
157.10039	7.2
159.11703	20.3
161.13210	7.9
173.13206	8.8
177.12834	5.8
179.14374	12.6
187.14795	6.2
219.17514	24.2
223.13232	5.6
229.19598	5.7
257.19043	7.7
275.20108	66.3
291.19519	40.9
293.21021	9.9
335.25842	43.0
349.23755	17.0
529.38660	7.0
609.37836	5.5
609.45251	56.5
627.45966	43.5
627.66003	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01880	19.6
55.05516	34.4
57.03429	7.2
57.07067	5.0
58.65357	1.7
60.11140	1.5
62.89930	1.6
65.03938	3.3
67.05512	95.6
69.03423	3.0
69.07076	33.2
70.73956	4.2
71.04989	5.0
71.08631	2.5
75.76891	1.6
77.03911	1.6
79.05501	68.9
81.03402	4.1
81.07064	100.0
83.04986	7.5
83.08628	16.4
85.06542	4.4
91.05486	56.3
93.07052	65.6
95.04960	11.1
95.08614	58.6
97.06537	25.3
97.10168	6.6
98.20804	1.4
99.08103	2.4
105.04546	3.7
105.06325	3.0
105.07039	55.4
107.00517	1.5
107.04964	10.5
107.07889	2.4
107.08605	42.1
109.06519	12.5
109.10163	27.1
111.08087	6.0
114.89082	1.9
117.07037	17.3
119.08586	40.6
121.06519	5.1
121.10156	27.7
123.08070	5.7
123.11734	10.7
125.09637	5.0
129.06993	7.8
131.07608	2.2
131.08580	28.5
133.10146	27.9
135.08069	4.4
135.11703	16.9
137.09607	5.8
137.13260	2.0
141.06882	1.9
143.08540	8.5
145.10130	23.0
147.11713	28.7
149.09641	21.9
149.13257	10.0
151.11169	1.9
155.08559	3.0
157.10104	9.0
159.11713	16.9
161.13260	9.8
163.11238	11.5
163.14815	3.8
165.09149	2.3
165.12769	5.2
169.10138	4.7
171.11667	7.9
173.13272	11.1
175.14809	3.1
177.12817	2.9
181.10123	2.2
183.11710	5.2
185.13226	3.7
187.11128	2.1
187.14865	3.7
189.11246	1.9
189.16386	1.9
193.12238	1.9
195.11792	2.8
195.13779	2.4
197.13110	3.0
199.14772	4.0
211.14919	2.3
213.16379	3.9
219.17490	1.8
227.12674	4.5
227.18021	1.9
229.19510	3.7
239.17946	4.6
243.21150	3.1
247.20557	3.2
257.19016	8.6
259.20554	2.9
261.22144	5.5
267.16043	3.2
273.18509	1.9
275.20102	52.9
277.21609	3.3
293.21149	8.8
297.22333	1.8
333.24509	3.8
335.25906	31.2
349.23807	25.7
351.25565	2.5
388.98538	1.7
473.32721	2.0
515.37158	6.1
529.38519	5.0
535.41284	3.3
553.42633	3.0
555.40393	2.7
609.45148	31.0
627.46252	48.7
646.16248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.1
55.01872	34.8
55.05512	28.9
57.03439	11.3
57.07075	3.5
58.06585	2.0
61.40751	1.7
65.03939	6.2
67.05508	95.5
69.03416	3.6
69.07072	41.8
69.13867	15.9
69.14287	3.3
71.04983	4.1
71.08624	2.3
77.03905	1.6
79.05494	71.0
81.03424	8.6
81.07056	99.2
83.04976	11.5
83.08615	11.9
85.06536	4.3
91.05486	78.3
93.07047	70.1
95.01312	9.1
95.04968	13.9
95.08611	66.6
97.06534	48.5
97.07158	2.8
97.10178	6.0
97.24891	1.5
99.08082	2.9
103.05475	3.1
105.04564	2.0
105.07033	82.4
107.04949	20.5
107.08598	36.2
109.06501	11.8
109.10160	24.4
111.08076	4.2
116.91112	1.6
117.07021	18.6
119.08582	43.7
121.06509	4.9
121.10160	23.7
121.87803	1.8
123.04468	2.5
123.08083	6.5
123.11706	5.5
125.09620	3.6
128.06238	2.2
129.07018	3.4
131.08560	30.6
133.06534	2.1
133.10138	47.0
133.11116	3.7
135.08057	5.7
135.11684	16.2
137.09599	3.8
139.07552	4.4
141.07030	3.1
143.08563	3.8
145.06491	2.5
145.10103	20.1
147.11708	22.9
149.09644	7.6
149.13258	8.7
151.11185	2.8
157.10112	3.3
159.11688	19.0
161.09717	2.0
161.13217	10.2
163.11200	5.6
163.14847	2.5
165.09055	2.6
165.12796	1.8
168.26460	1.8
169.10106	2.4
171.11664	3.8
173.13251	7.9
175.14877	3.1
177.12747	5.2
179.14331	22.0
183.11700	3.7
187.11185	4.7
187.14873	3.6
192.51926	1.7
195.13750	1.8
197.13268	3.1
201.16394	2.4
205.12262	2.0
219.17412	19.3
224.67430	1.7
229.19592	3.2
239.17934	3.6
247.20634	5.5
252.08034	1.5
257.19046	7.4
261.22214	3.6
275.20065	100.0
277.21564	2.3
291.19608	3.4
293.21164	7.5
335.25793	99.9
349.23730	24.8
406.24112	1.8
515.36737	2.2
529.38824	6.2
609.45123	73.3
626.65308	2.0
627.46600	14.2
627.66071	2.1
645.03485	2.1
652.02563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.9
55.01880	18.1
55.05280	2.7
55.05521	35.9
57.03449	17.5
57.07071	9.3
65.03938	5.5
67.05515	94.6
69.07079	38.0
69.79017	12.7
69.79439	3.7
71.05003	7.0
71.08641	54.6
79.05073	4.8
79.05502	70.9
81.03408	13.1
81.07068	100.0
82.54698	2.8
83.04971	11.8
83.08633	22.1
85.06574	3.2
89.06038	3.0
90.44563	2.8
91.05495	66.1
91.06068	2.4
93.06495	4.5
93.07059	72.4
95.04983	12.9
95.08068	5.5
95.08622	67.8
97.06541	19.2
97.10185	15.0
99.08107	26.1
103.05452	4.7
105.07047	62.9
107.04954	12.7
107.08610	47.6
109.06537	6.6
109.10176	23.0
111.08089	4.5
117.07034	31.5
119.08601	54.8
121.06567	3.7
121.10149	32.3
123.08077	7.0
123.11696	8.8
125.09640	5.9
129.07028	15.4
131.08591	38.9
133.10156	34.4
135.08038	4.0
135.11734	26.9
137.09584	3.9
141.06990	3.5
143.08577	26.1
145.10150	33.2
147.11716	27.7
149.09648	9.5
149.13252	19.0
151.11209	10.7
155.08565	10.9
156.09344	2.9
157.10172	19.7
158.02139	2.8
159.11710	32.6
161.09634	4.5
161.13258	28.0
163.11212	8.3
163.14751	4.0
167.08565	4.5
169.10138	12.6
171.11671	22.2
173.11775	7.6
173.13290	17.8
175.11174	4.0
175.14894	7.9
177.12662	5.0
179.14336	22.4
181.10123	7.5
183.11746	11.6
185.13252	13.5
187.14771	6.2
189.11264	3.4
195.11731	8.0
197.13315	5.4
199.14838	10.8
203.14343	3.2
207.11792	4.6
209.13332	6.4
211.14937	5.5
213.16431	7.8
217.19617	3.4
223.14798	7.2
225.16388	5.0
227.12758	6.7
231.20949	4.1
235.16989	3.1
241.19582	16.8
257.19006	8.1
259.20639	19.0
261.22156	6.3
275.20096	34.6
277.21671	26.1
289.18121	3.3
293.20975	5.8
311.24216	3.1
315.23175	4.9
323.23840	3.7
327.23605	3.4
333.20667	5.9
333.24326	19.6
335.25873	10.0
336.25919	3.3
349.23813	12.2
351.25317	20.4
419.32922	5.6
435.32776	4.9
437.34262	16.0
511.37778	11.8
513.35645	7.5
517.40527	8.3
529.38397	13.8
535.41406	7.7
553.42834	4.0
594.87317	3.5
609.36487	3.4
609.45422	63.2
627.46460	94.8
652.30688	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01875	23.6
55.05273	3.9
55.05512	46.6
57.03442	13.9
57.04569	3.3
57.07065	5.3
65.03936	6.7
67.05506	100.0
69.07066	36.6
70.07401	3.7
71.04985	5.6
71.49639	4.3
75.13418	2.7
79.05496	79.1
81.03393	4.9
81.06600	6.2
81.07059	95.7
82.07365	3.9
83.04971	10.6
83.08623	26.5
85.06560	4.9
91.05477	69.1
93.07050	75.4
94.07360	5.6
95.04990	6.8
95.08609	70.6
97.06520	23.5
97.10174	19.0
99.08099	5.5
105.07034	71.2
106.07372	3.6
107.04939	12.8
107.08595	61.3
109.06523	8.1
109.10162	34.9
111.08073	5.4
113.09675	2.8
117.07027	30.2
119.08580	51.6
121.00125	2.9
121.10142	33.6
123.08085	9.7
123.11674	17.5
124.08800	2.8
125.09609	17.5
128.06195	6.2
129.07010	17.4
131.08586	46.4
133.06505	5.7
133.10136	36.5
135.08054	8.3
135.11688	21.9
137.09552	3.0
141.07010	8.0
141.33981	2.9
142.07832	4.7
143.08588	22.2
145.10133	41.3
147.08035	3.6
147.11694	27.5
149.09630	18.4
149.13240	15.0
151.11217	7.1
153.06924	3.3
155.08551	12.2
156.09299	3.6
157.10153	24.8
159.11688	33.6
161.09506	4.7
161.13261	11.6
163.11197	7.1
163.14792	4.5
169.10112	14.4
171.11673	22.2
173.11847	4.3
173.13208	17.7
175.11191	3.3
175.14790	5.6
177.12706	3.4
181.10106	3.5
183.11661	12.1
185.13243	14.3
187.14796	11.4
189.11227	8.0
189.16368	4.5
193.10179	3.3
195.11716	7.0
197.13295	8.3
199.14798	10.0
201.16341	5.0
209.13185	6.6
211.14932	7.5
213.16434	6.5
223.14844	5.3
225.16379	4.2
227.12770	17.2
227.18042	4.9
233.15559	3.4
239.17949	4.2
241.19458	3.9
251.17854	3.3
257.19028	8.2
259.20612	6.0
261.21994	6.1
275.20081	51.5
277.21683	5.8
315.23065	3.9
327.23148	3.7
333.24280	6.1
335.25897	20.7
349.23779	13.9
367.30203	3.5
441.33878	3.5
447.75616	2.9
497.36597	3.7
515.36957	9.1
517.40375	6.6
529.38300	9.1
535.41003	9.2
553.42102	11.3
557.37872	3.3
566.89343	3.4
591.44147	5.3
609.36267	5.2
609.45178	73.3
627.46271	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.82645	0.9
55.01860	1.8
55.05502	3.4
67.05501	4.8
69.07063	2.3
69.27647	7.2
79.05480	3.2
81.03389	0.8
81.07056	5.9
83.04991	1.0
91.05486	3.7
93.07045	2.9
95.04968	1.7
95.08604	2.2
97.06549	0.8
97.10158	0.9
98.21523	1.8
105.07036	3.5
106.06614	1.1
106.07385	0.8
107.08610	2.1
107.49278	0.8
109.10195	1.9
117.05718	1.1
117.07005	1.7
119.08591	1.7
120.04505	1.2
120.08134	0.9
129.07051	1.2
131.07347	1.4
131.08600	2.8
133.10107	1.4
136.07564	1.4
138.09175	1.0
142.07791	1.1
143.08592	1.0
144.08012	1.5
145.10117	1.1
147.11659	1.1
147.13374	0.9
149.09697	1.1
155.08543	0.9
174.09163	4.5
187.12312	4.4
188.10744	3.5
190.05074	1.3
198.09221	1.0
200.09532	1.0
211.08739	1.4
211.14911	1.1
213.10274	1.5
215.11870	3.4
220.05490	0.9
222.06987	1.0
222.09001	1.0
224.09369	1.0
225.10289	3.3
227.11908	2.9
235.08609	1.1
239.11845	2.7
241.09682	1.3
241.13416	3.4
243.11305	22.9
243.13657	1.4
249.10301	1.5
251.11877	2.0
252.09059	1.3
253.09787	1.0
255.11105	1.0
261.10056	0.9
265.09756	1.7
267.11288	7.0
269.09488	1.0
269.12857	3.0
277.09692	3.0
285.12512	2.8
295.10861	3.3
299.13943	1.1
301.15668	4.4
304.10687	1.0
306.12302	1.1
309.12466	2.2
314.13077	1.6
316.10757	1.6
316.14288	1.3
317.11548	1.3
325.15457	11.6
327.13382	6.8
328.10950	1.8
328.14481	2.0
329.11652	1.8
330.12390	3.4
330.15884	1.1
331.13232	1.2
334.15564	1.3
342.12421	3.3
342.16159	1.3
343.13208	2.4
344.14005	5.0
345.14734	1.8
346.15567	1.5
348.13568	3.5
354.12393	1.2
356.14001	2.6
357.14789	2.3
358.15576	4.9
359.16531	1.3
360.17108	1.6
362.15115	0.9
370.15546	3.1
372.17197	3.7
374.14871	1.2
386.14719	1.6
386.19070	1.4
398.15237	1.4
400.16492	2.6
401.50790	0.9
403.15573	1.2
405.15646	0.9
417.16312	1.4
421.16788	1.7
432.19464	4.6
434.20792	1.1
435.14026	1.7
437.19662	2.0
446.20822	1.1
447.21814	3.5
449.15479	1.5
449.20746	1.3
450.16556	1.1
451.17355	1.9
459.34024	0.9
461.23584	2.6
462.24188	2.5
463.21106	3.8
465.18774	13.4
475.21301	1.1
477.19974	1.3
479.20605	6.3
480.21646	5.4
481.22171	3.7
489.22800	1.6
490.20844	1.2
491.20853	1.2
492.21579	3.0
493.22131	3.7
494.23553	1.2
504.21219	2.9
505.20923	1.0
507.24133	5.6
508.21466	1.2
517.22339	1.9
518.20905	0.9
529.38037	3.0
535.23584	6.4
541.24091	2.0
549.25024	13.2
553.24628	2.4
563.22644	1.3
567.26050	67.7
568.26270	2.0
577.24860	2.0
595.25519	49.5
609.26654	1.2
621.50452	1.1
627.28113	100.0
628.28369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01864	0.9
56.05032	0.9
56.49857	0.8
57.03441	6.5
60.04230	1.0
60.04531	19.1
61.02905	1.0
62.00635	0.9
63.56203	0.8
67.05508	1.4
69.03416	4.8
69.07059	1.6
70.06585	1.0
71.05001	37.0
71.48952	1.5
72.04534	1.1
73.02908	2.6
75.04493	1.1
79.05499	1.6
81.07052	3.0
83.04992	1.4
84.04489	1.0
85.02911	44.1
87.04459	2.2
91.05491	1.5
93.07037	2.2
95.04970	1.4
95.08614	2.1
97.02871	3.2
97.06550	1.3
98.68542	0.9
102.05542	1.1
103.05522	0.9
107.04931	1.6
109.10189	1.3
111.04445	1.2
114.19284	0.8
115.05482	1.2
123.04462	1.0
127.03896	1.9
129.05472	6.5
131.04926	1.1
133.04971	1.6
133.06490	0.8
137.02341	2.7
137.05974	4.8
141.15041	0.9
144.08073	2.2
147.04468	1.1
149.05914	1.5
151.03894	2.0
153.01848	4.8
161.06044	1.8
163.03911	2.9
167.07028	6.2
175.61337	1.0
177.05426	1.7
181.04942	3.6
181.08632	1.0
191.07036	1.7
203.03587	0.9
209.08118	1.4
244.03658	2.5
245.04503	1.4
247.08076	1.0
253.04767	1.5
253.24109	0.9
257.04349	1.1
259.02200	1.1
266.24893	0.9
271.02396	15.7
278.24768	1.9
289.03299	1.0
293.08154	1.1
296.25961	1.9
301.27164	1.0
303.06021	1.4
309.07687	1.5
313.03430	1.5
314.26807	3.0
319.06003	2.8
332.27991	14.3
333.07626	1.0
333.28265	5.7
347.05518	2.4
349.06836	1.3
365.06485	3.7
376.05643	2.2
405.06186	1.3
421.05579	100.0
422.06213	9.4
463.06378	1.7
464.32129	2.6
465.08331	1.1
481.07693	97.1
482.08005	2.9
494.33383	6.8
495.33606	2.4
505.69962	0.9
523.08234	1.6
531.09113	1.4
626.37427	9.0
627.23279	2.8
627.37927	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06775	1.1
50.79453	1.3
53.03944	3.5
53.24121	1.1
55.01875	5.5
55.05516	32.5
57.03439	5.5
57.07082	3.4
59.04987	1.7
65.03931	2.7
65.74075	1.2
67.05513	48.3
67.25581	1.3
69.03438	2.5
69.07075	20.8
69.83236	6.4
71.04991	6.1
71.08648	2.1
76.13450	1.3
79.05502	35.1
81.03429	4.9
81.07067	50.9
83.04994	5.1
83.08622	17.0
85.06564	4.0
91.05491	30.4
91.06027	2.2
93.07051	35.6
95.04988	6.1
95.08613	28.0
97.06549	8.9
97.10175	14.6
98.20791	1.7
99.08092	2.2
105.07039	30.5
105.07692	2.2
107.05009	4.3
107.08603	26.7
109.06544	4.6
109.10162	15.1
111.08141	4.8
113.05988	1.7
115.05486	4.0
117.07034	15.5
118.94662	1.4
119.08591	26.4
119.09383	2.2
121.10148	12.1
123.08076	2.3
123.11707	11.7
125.09624	11.8
128.06259	4.5
129.07028	17.3
131.08586	20.5
133.10153	19.8
135.08105	2.0
135.11734	6.0
136.66125	1.1
137.13326	1.3
141.06976	7.3
142.07808	5.3
143.08568	23.1
144.09412	1.2
145.06497	1.6
145.10138	21.6
145.11163	2.0
147.08110	2.6
147.11720	11.2
149.09641	3.3
149.13300	4.1
151.11266	1.6
153.07036	2.4
154.07813	3.2
155.08562	16.4
155.09697	1.6
156.09377	4.0
157.10144	24.3
157.11325	1.9
158.10805	1.4
159.08127	1.2
159.11714	17.5
161.13234	6.7
163.11230	2.8
163.14876	2.2
165.07045	1.5
167.08636	4.6
168.09340	2.0
169.10152	19.8
171.10281	2.1
171.11690	20.1
173.09731	1.6
173.11896	2.6
173.13255	12.5
175.11229	2.1
175.14835	2.1
179.08504	2.4
180.09370	2.4
181.10156	8.5
181.11607	1.3
182.10982	2.8
183.11714	20.9
185.13251	14.0
187.13293	4.3
187.14900	7.1
189.11293	7.4
189.12794	1.6
193.10190	3.6
195.11742	10.6
197.13335	12.6
197.15070	1.7
198.13968	1.2
199.14856	10.8
201.16507	3.7
207.11783	3.6
209.13287	8.6
211.14862	7.5
213.16512	5.3
215.17969	1.6
219.11845	1.9
221.13326	3.0
223.14897	5.7
225.16382	8.1
227.12808	7.4
227.18054	4.8
229.19565	1.6
233.13304	1.6
233.19215	1.4
235.14862	3.0
237.16533	4.1
239.14238	1.9
239.18027	6.8
241.19667	4.5
243.16045	3.9
249.16415	2.3
251.18056	3.0
253.19637	4.3
259.20679	3.0
265.19620	2.4
267.21112	2.8
273.18661	2.6
275.20166	4.0
279.21036	1.5
315.23245	2.0
333.24500	2.4
349.24216	2.1
363.26871	2.7
365.28485	10.6
381.27628	1.8
381.31726	6.1
383.29562	4.4
394.82663	1.5
395.29593	1.5
421.31152	3.8
439.32327	5.1
497.37125	1.3
513.35724	11.2
515.38940	7.8
527.37659	10.6
533.39935	9.2
551.41199	4.4
589.42548	1.9
607.43726	38.1
611.84943	1.8
625.44769	100.0
626.44958	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01562	0.6
51.02358	1.3
53.03949	4.0
53.33379	0.5
55.01833	4.6
55.05515	20.9
55.05756	1.5
57.03401	2.3
57.07034	2.5
59.04971	0.5
60.15350	0.5
65.03936	2.9
66.35169	0.6
67.05510	46.1
67.05837	2.3
69.03439	7.7
69.07072	27.7
69.07417	1.3
70.74688	0.7
70.75031	1.1
71.04994	2.8
77.03914	1.0
77.99291	0.5
79.05499	43.1
81.03425	4.1
81.07062	38.2
83.04987	4.0
83.08632	7.9
85.06491	1.7
91.05489	29.7
93.07051	38.3
94.07327	0.7
95.01266	0.8
95.04977	8.3
95.08614	27.0
97.02895	9.9
97.06542	3.7
97.10178	9.8
98.12141	0.5
99.08045	0.5
103.05441	0.9
104.74674	0.5
105.04465	2.4
105.07040	18.7
107.04964	6.3
107.08601	20.9
109.06530	3.6
109.10168	11.7
111.04429	0.8
111.08099	3.0
113.05951	0.6
115.05410	0.8
116.06231	0.9
117.07020	7.7
119.08588	15.9
121.06540	3.1
121.09357	0.9
121.10153	14.6
123.04395	0.7
123.08123	3.0
123.11668	2.5
125.09641	6.6
128.06198	1.1
129.07037	3.9
130.07802	1.3
131.08577	12.8
131.09995	0.6
133.06432	1.9
133.09294	0.8
133.10150	8.4
135.08017	2.5
135.10724	0.6
135.11702	9.2
137.09663	2.6
139.11143	1.0
141.06975	0.7
142.07672	0.7
143.08585	4.8
145.06458	0.7
145.10139	9.6
147.08073	4.1
147.11691	5.4
149.09604	1.9
149.13275	5.3
151.11102	1.3
153.09059	0.9
155.08522	1.8
157.10135	3.2
157.11160	0.6
159.08052	0.9
159.11694	6.7
161.09601	2.1
161.13257	2.7
161.83157	0.6
163.11188	0.8
163.14784	1.1
165.09091	1.5
165.12695	0.7
169.10107	2.3
171.10242	0.9
171.11682	2.8
173.11876	0.8
173.13231	2.7
175.11177	1.6
175.14816	1.5
177.12691	2.1
181.10078	0.9
183.11685	0.8
185.13187	1.5
187.14772	1.4
189.11261	2.8
189.12723	0.7
195.11668	1.9
195.13768	2.1
197.13277	1.3
199.11136	0.6
199.14847	0.9
201.16298	1.0
205.12209	2.3
209.13377	0.6
211.14786	1.2
213.14673	0.6
215.17899	0.5
223.11162	1.2
223.13290	18.5
227.12724	1.8
227.18008	1.3
243.21124	1.4
245.19012	1.7
247.16904	0.7
249.15004	1.0
255.17435	0.8
261.22128	3.9
263.20142	1.0
273.18524	15.5
275.20084	1.6
277.21582	0.7
291.19559	100.0
292.19958	1.2
309.20554	0.7
317.24756	2.2
333.20410	1.3
335.26041	3.0
336.26324	0.6
347.22137	2.1
365.23282	2.2
365.27872	0.6
381.31445	1.0
513.36151	0.9
527.37250	0.8
533.39899	1.2
547.26099	1.4
551.41290	0.9
607.43274	3.3
625.28461	2.3
625.44714	77.9
626.45221	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23214	1.7
53.03947	8.0
53.16560	1.6
55.01875	16.6
55.05516	37.1
57.03438	9.1
57.07067	5.2
65.03931	5.6
67.05511	83.1
69.03446	9.1
69.07075	61.9
71.04981	5.7
77.03927	3.3
79.05502	68.7
81.03410	4.5
81.07063	67.2
82.07304	1.7
83.04994	9.4
83.08624	14.0
85.06538	4.5
91.05488	52.0
93.07051	64.4
93.07645	3.1
95.01302	1.4
95.04973	29.2
95.08618	43.5
97.02910	7.9
97.06542	19.5
97.10181	10.8
99.08074	2.7
105.04510	2.2
105.07043	47.6
107.04967	15.2
107.08609	35.9
108.90549	1.5
109.06548	11.1
109.10165	17.1
111.08080	4.8
115.05454	4.1
116.06261	1.8
117.07029	18.5
119.08598	33.4
119.41181	1.5
121.06479	6.3
121.10155	26.3
123.08064	6.3
123.11694	3.1
125.09622	8.3
128.06223	4.8
129.07011	11.4
131.08578	29.9
133.06487	3.3
133.10143	22.0
135.08070	7.8
135.11685	17.2
137.09595	4.3
139.02769	1.4
141.06990	3.5
142.07784	3.7
143.08589	13.8
145.06494	2.0
145.10130	24.0
147.08066	7.0
147.11707	13.5
149.09616	5.2
149.13303	9.5
155.08531	5.8
157.10152	12.6
157.90100	1.5
159.08000	1.6
159.11719	17.4
161.09634	3.8
161.13269	8.6
163.11214	3.9
163.14851	2.6
165.09117	2.2
169.10121	6.4
171.11722	9.3
173.09526	1.6
173.13252	8.8
175.11212	5.0
175.14787	2.5
175.22778	1.6
177.12761	4.4
179.14311	2.0
181.10088	3.7
183.11729	6.0
185.13263	6.5
187.11078	2.5
187.14839	4.3
189.11192	4.0
195.11731	4.1
195.13823	3.4
197.13251	4.5
199.11263	1.7
199.14804	3.7
205.12363	2.9
209.13234	5.5
211.14853	3.5
223.13206	11.8
227.18031	2.0
233.37131	1.7
241.19514	4.2
243.21048	2.3
245.19064	3.2
255.17314	2.5
257.19043	2.3
259.20523	6.7
261.18481	2.5
261.22058	3.7
273.18527	32.4
274.18845	1.7
275.20044	14.3
291.19568	95.5
292.19644	1.8
293.21136	3.1
317.24539	2.6
333.20285	8.8
333.24258	5.5
335.25894	9.0
347.22177	7.8
349.23724	8.7
437.34036	5.2
511.37509	4.1
515.38690	2.4
527.37347	3.5
529.38837	2.0
533.39587	5.2
539.33533	7.1
551.41016	3.5
581.98584	1.8
607.43781	22.4
625.28595	7.6
625.44885	100.0
626.45209	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01883	30.9
55.05515	34.9
56.05893	2.7
57.03427	9.7
57.07066	2.5
59.69107	2.6
65.03943	6.1
67.05510	63.6
69.03423	2.6
69.07072	75.8
70.74719	6.2
71.04989	5.9
77.03930	3.4
79.05495	55.9
79.31256	2.3
80.05849	2.8
80.31313	2.4
81.03401	6.4
81.07057	76.0
83.04974	7.9
83.08620	13.9
85.06548	4.5
91.05482	54.6
92.05809	2.6
93.07043	54.9
95.01334	4.8
95.04964	14.0
95.08605	43.6
95.79853	2.3
97.06532	33.4
97.10191	6.6
97.39244	2.6
99.08112	4.1
101.38292	2.4
105.07034	60.2
107.04943	13.5
107.08597	33.8
109.06516	8.1
109.10155	16.7
111.08097	2.7
115.05462	4.2
117.07008	22.0
119.08585	49.6
121.06531	2.8
121.10168	18.8
123.08060	7.2
123.11724	6.2
125.09612	5.8
128.06216	6.2
129.07018	19.8
130.07869	3.3
131.08571	45.2
133.06517	3.3
133.10126	37.8
135.11757	13.8
137.09605	4.9
141.06970	11.9
142.07774	5.1
143.08582	26.6
144.09161	2.5
145.06487	3.8
145.10117	40.6
147.08022	3.7
147.11708	23.9
149.09674	7.2
149.13272	8.6
151.11180	3.9
155.08556	19.1
156.09329	3.6
157.06522	2.9
157.10141	28.4
159.11691	25.8
161.09587	5.2
161.13281	19.0
163.11188	4.2
167.08554	6.3
168.09480	2.8
169.10110	19.5
171.11676	25.6
172.20734	2.5
173.13258	17.5
175.11218	3.4
175.14845	7.8
179.08611	2.7
179.14253	6.9
181.10262	12.1
183.11659	15.7
185.13254	18.8
187.11258	5.3
187.14835	9.6
189.12807	3.4
195.11717	10.0
197.13263	14.1
199.14824	12.2
207.11673	5.3
209.13271	8.7
211.14856	6.8
213.16383	5.2
215.18085	3.7
221.13261	5.6
223.14790	8.1
225.16470	4.9
231.17433	2.9
237.16220	3.8
239.18105	3.1
241.19519	14.3
251.18105	3.5
253.16008	2.9
253.19466	3.4
257.19028	5.9
259.20584	21.7
273.18597	5.7
275.17676	3.8
275.20172	30.4
277.21658	6.7
293.21271	5.6
297.22025	4.7
311.23743	2.7
315.23312	5.6
331.22772	3.5
333.24222	22.8
339.23123	4.1
341.24976	3.3
349.23755	17.0
386.07889	2.9
433.20419	2.9
435.32486	8.1
437.34195	12.3
451.20959	6.2
463.17621	4.2
478.20105	11.1
479.20572	6.8
511.37888	8.8
513.35773	11.6
515.38806	9.0
527.36853	11.8
529.38916	4.2
533.39899	15.5
539.35339	2.8
551.40717	8.8
555.36804	4.4
565.24506	25.5
589.41962	3.7
607.43573	59.8
625.16724	5.1
625.26819	72.5
625.44489	100.0
625.60345	4.0
625.71405	2.8
626.26489	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54355	1.8
53.03949	4.6
55.01871	15.8
55.05511	36.1
57.03180	1.8
57.03432	10.5
59.04991	2.2
65.03938	3.5
65.20144	1.7
67.05507	66.3
69.03429	3.4
69.07066	38.3
69.80739	8.8
71.04990	6.3
79.05497	52.9
81.03419	3.9
81.07056	69.0
83.04996	5.2
83.08621	18.7
91.05481	48.3
91.06025	3.0
93.07051	47.1
95.04978	6.8
95.08607	45.5
97.06528	18.2
97.10165	9.8
98.20847	2.9
99.08102	3.1
103.05505	2.2
105.04572	2.6
105.07029	48.1
107.04989	8.1
107.08598	30.2
109.06538	4.7
109.10170	20.9
111.08104	4.3
113.09608	2.1
115.05493	4.2
117.07010	19.6
119.08582	44.7
121.06496	4.2
121.10141	20.7
121.57229	1.7
123.08070	4.4
123.11700	9.1
125.09590	8.4
128.06241	6.0
129.06990	22.1
129.07826	2.3
130.07819	1.6
131.08568	36.2
133.06490	3.2
133.10127	28.4
135.08099	4.7
135.11668	11.7
137.09637	3.9
139.11200	4.5
141.06995	9.1
142.07791	6.4
143.08559	26.0
144.09383	2.0
145.06470	2.6
145.10135	31.2
147.08081	3.2
147.11682	16.1
149.09587	7.6
149.13278	7.2
151.11208	3.7
155.08574	19.0
156.09273	2.3
157.10136	26.1
159.08104	3.9
159.11693	23.2
161.09651	3.3
161.12122	1.6
161.13226	9.1
163.11246	6.8
163.14827	3.3
165.07039	3.7
167.07239	2.5
167.08455	8.6
168.09459	3.3
169.10138	22.7
171.10258	2.8
171.11684	23.5
173.13252	15.6
175.11191	2.2
175.14821	4.9
177.12688	1.9
179.08614	4.5
179.14285	2.1
181.05019	2.5
181.10120	12.0
182.10939	3.7
183.11716	18.2
185.09647	1.6
185.13242	16.7
187.11223	1.9
187.14874	7.2
189.11316	2.5
189.12871	2.1
189.16399	2.0
193.10226	3.7
194.10826	2.1
194.73312	2.3
195.11752	13.1
197.13263	13.0
199.14810	9.0
201.16440	2.8
205.15837	2.4
207.11784	5.4
209.13326	9.7
211.14859	9.4
213.12729	2.3
213.16438	5.7
215.18036	2.9
219.11810	1.9
221.13292	4.6
223.14871	8.1
225.16473	5.8
227.12759	2.8
227.17995	4.3
229.19545	2.2
231.17549	1.8
235.14888	2.6
237.16426	5.2
239.17976	4.0
241.19603	4.9
243.15822	2.0
247.14815	1.8
249.16447	3.9
251.18077	2.8
253.19476	2.1
255.17455	2.7
257.19141	3.4
258.19879	2.1
259.20593	9.3
271.20609	3.2
273.18622	2.5
275.20181	12.8
287.20074	1.7
289.21899	2.3
291.19669	2.1
293.21628	1.8
315.23270	3.0
329.24826	1.8
333.24231	4.5
349.23889	8.4
363.26883	2.0
365.28317	3.0
377.28113	2.4
416.14603	2.3
421.31216	7.0
439.32141	3.2
440.24356	1.8
495.34811	3.4
510.23642	1.7
511.37698	1.9
513.35815	34.1
514.34985	1.7
515.39105	8.1
527.37585	11.3
529.38208	1.6
533.40143	11.3
537.36127	1.9
551.40936	10.3
553.38489	2.4
555.36993	2.7
589.42310	3.6
597.45013	2.9
607.35706	1.1
607.43610	53.9
625.44666	100.0
626.44739	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01873	12.7
55.05512	34.1
57.03435	11.1
57.03693	2.3
57.07064	4.4
59.04976	2.1
63.08252	1.5
65.03948	3.7
67.05506	73.0
69.03445	2.0
69.07071	38.5
70.08952	6.3
71.04999	4.8
71.08639	2.3
79.05492	53.1
81.03423	2.6
81.07056	73.9
83.04985	7.1
83.08628	20.7
85.06548	3.0
91.05483	52.7
93.07043	53.9
95.04970	7.0
95.08606	54.0
97.06525	13.2
97.10175	11.4
99.08069	3.3
105.07032	54.6
107.04965	6.4
107.08590	34.6
109.06516	6.3
109.10168	25.7
111.08102	7.2
115.05471	4.5
117.07016	25.4
119.08586	39.1
121.06500	4.9
121.10145	21.5
123.08064	6.2
123.11708	9.4
125.09608	7.6
128.06233	7.8
129.07007	22.6
130.07788	2.4
131.08577	33.9
133.06512	3.4
133.10130	31.4
135.08084	5.9
135.11693	13.4
137.09634	4.6
141.07004	10.2
142.07787	5.3
143.08578	26.6
145.06523	1.8
145.10129	32.5
147.08073	3.6
147.11681	21.0
149.09630	4.4
149.13274	6.7
149.83894	1.5
151.11211	3.0
153.07051	1.9
154.07722	1.8
155.08566	17.6
156.09393	2.5
157.10114	23.0
159.08128	2.6
159.11682	21.8
161.09567	2.5
161.13255	11.9
163.11244	3.7
163.14841	1.8
165.12685	2.5
167.08560	8.8
168.09415	2.3
169.10123	23.3
171.08073	2.4
171.11688	20.3
173.09645	3.3
173.13275	16.4
175.11237	3.9
175.14825	4.8
177.12788	2.1
179.08540	3.6
181.10117	11.5
182.10947	2.0
183.11690	21.7
185.09720	2.0
185.13234	16.4
187.14851	9.3
189.11252	2.2
189.12851	2.4
189.16437	1.9
193.10162	5.4
195.11682	12.7
197.09595	1.5
197.13222	13.2
199.11162	3.5
199.14839	8.9
201.16376	3.2
203.17612	1.8
207.11769	4.6
209.13260	9.9
211.14851	10.0
213.12859	3.0
213.16487	6.5
215.14455	2.7
215.18045	2.5
219.11716	1.6
220.12636	2.0
221.13290	3.3
223.14793	7.0
225.16400	4.4
227.12706	2.5
227.17995	3.6
229.19440	1.9
233.13251	2.3
235.14798	3.0
237.16460	3.6
239.17976	7.3
241.15974	1.9
241.19595	6.9
243.15971	1.9
247.20471	1.9
251.18120	2.7
253.19554	3.4
257.19003	5.4
259.20642	7.1
261.22314	2.5
265.19510	2.5
271.20648	2.2
273.18552	5.1
273.21753	1.4
275.20062	10.6
291.19598	2.7
295.20584	3.6
297.22266	2.7
309.22235	2.6
311.23505	2.7
313.21851	2.1
315.23352	3.1
325.21878	2.4
325.25470	2.1
331.22614	1.9
333.24338	4.9
347.22705	1.9
349.24106	5.4
353.24860	1.9
355.07590	1.5
365.28467	2.5
367.26544	2.0
379.30075	2.1
403.29987	3.1
421.31223	2.3
439.32074	3.4
495.34729	3.5
497.36829	3.0
513.35852	16.2
515.39081	8.5
527.37262	7.7
533.40021	12.1
537.35687	1.9
551.41199	11.2
553.39404	2.2
555.35950	1.7
569.41931	2.1
589.41772	2.4
597.45721	2.5
607.43445	52.6
608.45099	2.2
625.44586	100.0
626.44537	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.3
53.03944	6.5
55.01873	5.6
55.05509	28.7
57.03429	4.1
57.07063	1.6
59.05003	1.4
65.03931	4.8
67.05504	56.0
69.03424	9.1
69.07066	31.4
69.27592	5.1
69.27996	2.9
71.04991	3.9
76.41280	1.0
77.03902	1.7
79.05490	56.5
81.03429	4.3
81.07056	48.9
83.04975	8.6
83.08620	8.8
85.02903	1.2
85.06538	2.2
91.05479	33.7
93.07042	44.8
95.04957	12.0
95.08604	29.3
97.02878	10.4
97.06530	4.2
97.10161	9.2
103.05483	1.1
105.04510	2.9
105.07030	24.7
107.04937	8.3
107.08598	25.8
109.06512	7.4
109.10162	15.7
111.04462	1.4
111.08102	2.7
113.06022	1.2
115.05460	1.7
117.07031	12.0
119.04951	1.2
119.08582	20.2
121.06525	3.6
121.10147	15.3
123.08058	5.1
123.11703	2.1
125.09649	7.5
128.06226	2.8
129.06969	5.9
131.08565	16.3
133.06487	2.1
133.10124	12.5
135.08022	5.5
135.11696	9.1
137.09636	3.0
143.08574	6.1
145.06479	1.1
145.10115	13.0
147.08061	4.6
147.11714	6.1
149.09633	3.3
149.13254	4.4
155.08621	1.9
157.10072	4.2
159.08041	1.2
159.11708	6.0
161.09599	4.4
161.13254	4.2
163.11205	2.4
163.14938	1.1
165.09186	2.7
169.10133	2.1
171.11674	3.3
173.09592	1.5
173.13254	3.7
175.11221	2.4
175.14821	1.5
176.70290	1.0
177.12793	2.5
181.10165	1.2
183.11702	2.4
185.13239	2.2
187.14870	1.7
189.11263	3.2
195.13713	1.4
197.13261	1.2
199.14886	1.3
205.12296	1.8
209.13260	1.2
223.13287	15.5
227.12799	2.4
227.17963	1.5
240.25070	0.8
245.19109	2.4
249.14922	1.1
255.17476	2.1
261.22195	3.2
273.18497	19.8
275.20035	1.2
291.19547	100.0
299.68295	1.0
317.24893	1.1
333.20297	3.7
333.24088	1.0
335.25961	4.2
347.22150	2.8
365.23505	2.1
445.00876	1.0
551.41467	1.0
601.06873	1.1
607.43225	3.2
625.44788	72.3
626.43811	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.8
55.01876	42.2
55.05516	30.2
56.71656	1.4
57.03431	9.3
57.07073	3.4
62.47900	1.2
65.03943	4.3
67.05505	65.9
69.03426	1.9
69.07070	81.6
70.87289	1.5
71.05006	4.8
71.08636	2.0
79.05495	53.7
81.03432	7.1
81.07059	71.5
83.04990	9.5
83.08620	15.4
85.06562	4.9
86.24115	1.4
91.05482	68.3
93.07044	57.9
93.07637	2.4
95.01340	4.5
95.04975	12.2
95.08607	52.9
97.06536	49.5
97.07163	2.9
97.10169	8.1
99.08128	3.4
103.05497	2.6
105.07034	73.5
107.04952	16.2
107.08592	32.8
107.09292	1.5
109.06513	7.6
109.10151	16.8
111.08102	4.5
115.05515	4.0
117.07017	24.5
117.07761	2.2
119.08581	57.8
121.06538	5.4
121.10137	19.2
123.04443	1.9
123.08089	4.9
123.11726	4.2
125.09641	7.3
128.06248	5.7
129.07001	21.2
130.07816	3.0
131.08568	48.0
131.09529	2.8
133.06572	1.6
133.10133	40.9
133.11101	2.0
135.08072	3.0
135.11707	15.8
137.09659	3.8
139.07596	1.4
139.11191	3.8
141.06984	8.7
142.07834	4.3
143.08565	31.4
144.09329	2.6
145.06560	5.4
145.10117	38.4
147.08064	2.4
147.11685	30.8
147.12788	2.5
149.09665	13.5
149.13280	6.7
151.11197	2.7
153.07077	2.2
155.08563	17.6
156.09360	2.3
157.10139	25.7
159.08131	2.5
159.11696	32.2
159.12880	2.2
161.09653	2.8
161.13268	19.2
163.11200	8.5
163.14877	3.7
165.07147	1.6
165.12776	2.2
167.08540	6.6
168.09338	2.3
169.10127	21.8
169.11540	1.5
171.08058	3.1
171.10248	3.2
171.11665	26.6
172.12529	1.4
173.09619	1.5
173.13254	17.2
175.11252	3.2
175.14783	10.0
177.12827	5.5
179.08585	3.3
179.14348	7.8
180.09424	1.5
181.10091	9.6
183.11707	18.8
185.09660	2.2
185.13252	20.6
187.11246	4.8
187.14832	9.8
189.12831	2.2
189.16461	2.7
191.14365	1.7
193.10225	3.9
194.10864	2.2
195.11700	12.7
197.13229	14.6
199.11275	3.4
199.14841	13.6
201.12756	1.6
201.16483	3.6
207.11816	4.7
209.13329	7.4
211.14882	7.4
213.12816	3.4
213.16516	7.7
215.18060	2.9
217.16177	1.4
217.19638	1.7
219.11699	1.8
219.17537	2.2
221.13408	4.5
222.49588	1.3
223.14876	7.1
225.16449	5.6
227.18082	2.5
229.19644	2.7
231.21039	3.2
235.14957	5.1
237.16376	3.2
239.17970	7.2
241.16064	2.0
241.19499	22.2
243.65529	1.6
245.19327	1.5
249.16560	2.1
251.18094	3.6
253.19513	1.5
257.19031	11.6
259.20609	23.9
259.23108	2.2
269.19238	2.4
271.20560	2.2
273.18646	3.2
275.20084	51.6
277.21732	6.2
279.15854	2.5
283.20694	3.1
285.22305	2.5
291.19696	3.0
293.21262	5.5
297.22263	2.9
299.23755	1.7
311.23758	2.7
313.21884	2.6
313.25336	2.3
315.23315	6.4
323.23721	4.0
325.25629	2.2
331.22849	3.8
333.24319	20.9
335.26242	2.3
337.25470	2.7
341.25012	2.1
349.23734	35.0
355.26495	2.3
363.26712	2.2
367.26456	1.7
375.46741	1.5
417.31631	2.4
419.33295	5.9
421.31287	4.0
435.32770	9.6
437.34222	21.3
453.33987	4.3
455.35239	3.1
463.32602	2.3
484.61075	1.4
493.37003	3.9
495.35010	3.0
497.37970	2.2
499.34943	1.7
501.35550	3.3
501.76553	1.4
505.40622	2.2
509.36804	4.5
511.37939	13.5
513.35681	11.0
515.39014	6.4
527.37451	8.2
529.39172	7.3
533.39783	13.6
537.35675	1.9
543.37231	1.7
551.40747	9.3
555.36914	4.7
556.37592	4.8
565.28058	1.9
589.42572	2.2
597.45380	5.0
607.43597	56.2
608.44287	3.9
625.29199	6.4
625.44769	100.0
626.45258	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	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03939	9.4
55.01879	13.4
55.05269	2.8
55.05513	35.0
57.03437	9.9
57.07060	1.8
59.05013	2.6
65.03934	5.5
67.05507	69.8
67.55898	1.8
69.03400	2.8
69.07070	34.9
71.04999	5.9
71.08646	1.9
72.98124	1.7
79.05494	48.6
81.03416	6.0
81.07058	64.9
83.04983	5.8
83.08630	17.0
85.06541	2.7
87.29472	1.6
91.05486	48.1
93.07049	43.1
95.04968	9.6
95.08611	42.5
97.06535	13.8
97.10162	13.0
98.20763	2.8
98.98510	1.8
103.05492	4.1
105.04549	3.7
105.07035	41.2
105.76985	1.9
107.04978	5.1
107.08585	26.4
108.27610	1.9
109.06553	6.2
109.10170	25.3
111.08103	4.5
111.36294	1.8
115.05478	4.0
117.07014	23.7
118.12002	1.8
119.08588	33.8
121.06504	3.5
121.10172	17.8
123.08115	6.1
123.11733	6.1
125.09670	6.9
128.06235	6.1
129.05516	2.1
129.07007	22.9
131.08582	34.7
133.06526	2.4
133.10127	31.0
135.08052	6.4
135.11690	11.5
137.09637	3.4
137.13197	1.9
139.11220	2.3
141.06992	10.4
142.07797	4.6
143.08563	24.4
145.06491	4.2
145.10135	30.7
147.08064	3.8
147.11693	17.7
149.09673	5.5
149.13234	4.4
151.11185	2.4
153.07036	2.1
153.09084	2.5
154.07805	3.0
155.08563	17.7
157.10138	27.3
159.08159	2.8
159.11717	21.4
161.09662	2.0
161.13223	9.1
163.11198	2.7
165.07053	4.3
167.08568	5.6
168.09424	3.5
169.10152	18.4
171.11690	20.7
173.09679	3.4
173.11916	3.4
173.13249	13.1
175.14946	2.6
179.08650	5.0
180.09361	2.7
181.10146	12.0
182.10909	3.2
183.11662	21.0
185.09665	2.3
185.13255	13.9
187.13298	2.4
187.14812	4.0
189.11247	4.9
189.16440	2.6
193.10153	4.3
195.11720	11.3
197.13237	16.8
199.11375	1.9
199.14818	9.1
201.12660	2.1
201.16457	4.3
207.11769	3.6
209.13329	9.2
211.14810	9.5
213.16487	6.4
215.17992	3.2
217.15866	2.0
221.13356	5.0
223.14934	6.8
225.16423	5.8
227.12749	3.5
227.18040	3.4
229.19394	2.1
235.14861	4.8
237.16478	5.6
239.17929	4.5
241.19591	6.4
247.14903	1.9
249.16383	3.4
251.18066	2.6
253.19637	2.9
257.19159	6.5
259.20590	5.9
261.22290	2.1
263.18262	2.0
273.18384	2.8
275.20166	10.8
279.21112	2.0
283.20688	2.6
291.19757	4.2
297.21985	2.5
301.25360	3.0
311.23843	2.4
327.23398	2.7
333.24319	4.5
337.25131	2.8
339.23248	3.3
347.21857	2.2
349.23819	5.0
355.26221	2.5
365.28558	4.0
379.29971	4.8
381.31775	3.0
399.29034	2.2
421.30966	5.3
433.19128	1.9
435.32761	3.2
437.34436	2.7
439.32095	2.2
453.33603	3.6
459.32043	2.2
495.34879	2.1
499.33722	2.2
511.37503	2.6
513.35876	22.3
515.38757	9.4
527.37451	17.5
528.38391	2.4
533.39941	12.5
551.41248	9.2
565.27948	4.5
589.42255	2.3
607.43518	42.6
625.28790	6.4
625.44678	100.0
626.45154	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	625.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95060	0.4
55.05504	1.0
67.05496	1.6
69.07043	0.4
70.15925	1.4
71.46854	0.3
79.05487	1.3
81.07036	1.2
85.18975	0.4
91.05477	1.4
93.07057	0.8
93.37452	0.3
93.48380	0.5
95.04964	0.4
95.08591	0.7
98.20856	0.4
105.07041	0.9
107.08638	0.5
119.08527	0.5
131.08591	0.6
152.61897	0.4
169.22023	0.4
241.08998	0.4
243.19920	0.4
275.20041	0.5
315.19336	1.9
330.54343	0.4
333.20374	5.4
368.16483	0.5
449.22592	0.5
462.23730	0.5
537.26361	0.6
564.25897	0.6
565.26367	1.5
597.28644	0.5
607.28571	1.8
625.28815	10.3
625.40680	100.0
626.40845	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	625.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03944	4.7
55.01879	4.7
55.05511	10.6
57.03438	10.3
57.07048	1.5
59.22377	0.5
65.03920	2.1
67.05505	32.4
69.03402	1.8
69.07064	6.7
71.04964	1.8
71.08625	0.7
72.92726	0.7
79.05494	26.9
81.03389	1.9
81.07057	23.1
83.04946	2.6
83.08627	3.4
85.06094	0.7
85.06540	8.5
91.04919	0.7
91.05483	21.4
93.07042	26.8
95.04396	1.1
95.04967	19.2
95.08602	14.1
97.06514	4.9
97.10126	2.1
98.21460	1.7
99.08051	0.7
103.05438	1.0
105.04465	1.7
105.06404	0.9
105.07031	12.9
107.04961	5.4
107.08593	13.9
109.06515	28.6
109.10158	5.6
111.08067	1.4
113.06008	17.2
115.05413	0.8
117.07026	8.9
119.08588	8.8
121.06485	2.3
121.10137	8.6
123.08067	2.4
123.11697	1.2
125.09599	1.5
127.80919	0.7
128.06174	1.6
129.07024	3.6
131.08553	11.3
133.06487	1.4
133.10135	6.9
135.08051	16.9
135.11661	5.0
137.05899	1.0
137.09599	1.3
141.06929	1.0
142.07817	0.9
143.08540	4.9
145.06462	1.3
145.10120	6.4
147.08009	2.5
147.11722	3.5
149.09555	2.9
149.13237	3.1
155.08498	1.4
157.10114	4.7
159.07980	1.6
159.11636	4.3
161.09605	4.6
161.13216	2.0
163.11169	1.7
165.09058	1.1
165.12781	0.7
169.10121	0.9
171.11636	2.3
173.13203	2.1
175.11101	2.0
177.12663	1.5
179.14305	1.4
181.10022	0.8
183.11647	2.3
185.13214	1.3
187.11150	0.7
187.14777	1.5
189.12697	1.4
189.16212	0.9
195.13765	1.0
199.10957	1.1
199.14740	2.2
201.12782	1.6
217.15852	8.6
223.13307	1.6
227.17961	1.1
237.16373	0.8
245.18982	1.2
255.17294	2.2
261.22055	0.7
273.18491	18.2
275.19901	2.2
276.68552	0.7
277.21545	0.8
291.19534	51.4
292.19733	0.9
309.20407	1.0
315.19205	1.8
333.20383	5.3
335.25894	4.1
347.22079	2.7
365.23355	1.4
607.43542	1.5
625.40540	100.0
626.40906	2.6
650.47327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01858	1.7
55.05512	5.8
57.03426	1.3
65.03907	0.8
67.05502	12.1
69.03413	1.1
69.07081	3.7
75.15961	0.8
79.05496	10.1
81.03443	1.6
81.07062	12.2
83.04966	2.1
83.08618	2.4
91.05486	10.1
92.44422	0.9
93.07048	9.4
95.04946	3.3
95.08627	7.2
97.06515	1.6
97.10181	1.1
105.07046	6.2
107.04942	1.8
107.08618	6.2
107.67920	0.8
109.06519	3.0
109.10139	3.5
111.08109	1.0
113.05998	0.9
117.07007	3.7
119.08595	5.4
121.10130	3.4
123.11749	0.8
125.09602	1.2
129.07034	1.0
131.08569	2.8
133.10127	3.9
135.08031	2.4
135.11690	2.4
136.78592	0.8
143.08519	1.7
145.10101	3.1
147.08044	1.2
147.11635	1.5
149.09555	1.2
157.10101	1.2
159.11673	2.4
161.09583	1.4
161.13269	1.1
171.11656	1.7
175.11317	0.9
183.11710	0.9
185.13185	1.2
217.15807	1.2
221.10681	0.9
256.23816	0.8
259.20352	0.8
273.18417	4.6
275.20154	2.0
291.19504	7.8
315.19537	1.5
333.20227	5.1
335.25714	2.0
347.22116	1.6
372.92230	0.9
377.17554	1.5
378.18185	1.2
389.17761	1.6
390.18607	1.2
391.19183	3.6
392.19876	2.1
403.19147	1.5
404.20178	1.7
405.20724	10.3
406.21484	2.6
407.22351	5.9
419.22208	3.6
420.23151	4.4
421.23907	9.8
422.17096	1.5
433.23880	2.7
434.24698	2.1
435.18005	1.3
437.20053	1.5
445.19949	1.1
449.19409	3.1
449.26276	0.8
450.20300	1.6
451.21252	22.1
452.22107	6.3
463.21002	1.6
464.21964	1.5
465.22852	18.8
466.23383	3.6
473.19876	1.1
477.27264	1.2
479.24194	2.5
492.21463	1.4
493.25995	14.0
494.26517	1.9
501.22864	1.0
503.24442	9.3
504.24808	1.2
509.21597	4.0
521.25458	8.3
522.25787	1.1
523.23468	10.2
527.37903	1.2
537.25079	6.6
538.18018	1.3
538.25757	22.7
547.23108	2.5
565.24512	11.2
566.24878	3.6
581.27563	7.2
586.73145	1.0
607.25494	8.9
607.42969	2.3
625.26392	100.0
625.40747	48.0
626.26520	3.0
626.41119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40038	1.2
59.99799	0.9
61.97494	1.0
62.44342	1.1
69.62031	2.8
69.62435	4.1
73.26070	1.1
75.81364	1.2
81.03422	1.4
82.99849	3.3
86.63776	1.0
94.99870	1.5
98.20712	1.3
101.00882	18.8
103.02466	1.2
105.06995	1.1
107.04951	24.5
111.02922	1.2
113.00866	4.9
115.02440	2.2
119.01920	17.1
121.06513	1.1
127.02407	4.7
129.03992	4.9
131.01920	9.6
133.03458	2.4
137.04477	2.9
139.02428	2.2
143.01904	31.6
145.03474	9.9
147.04993	1.8
153.03973	7.1
155.01894	19.9
155.05501	11.4
157.03505	7.6
161.01695	1.9
161.02957	18.7
163.03883	3.9
163.05995	1.8
167.01892	14.6
169.03485	4.4
171.05029	15.7
173.02957	17.0
173.06602	3.9
179.01842	6.1
179.05586	3.9
181.03462	1.9
181.07083	25.7
183.05006	4.1
185.02954	43.8
185.06499	1.4
187.04509	2.9
189.06157	1.1
195.05037	2.6
197.02948	20.8
197.06642	5.0
198.98611	1.4
199.04529	1.3
199.08162	12.2
203.04024	10.4
205.07100	1.1
207.04977	5.1
209.02907	2.3
209.06535	1.1
215.03929	9.4
215.07451	1.2
221.04974	2.3
223.04538	2.0
223.08134	8.9
225.06085	12.3
227.04016	11.7
239.07404	1.5
241.05525	1.3
243.07193	3.2
245.05077	100.0
246.05228	2.8
249.06120	6.2
255.07259	1.6
257.05130	7.6
263.06110	10.1
265.05661	1.5
267.07135	75.4
268.07401	1.5
275.06052	12.9
279.07071	7.6
281.08774	2.5
283.06693	2.5
285.08228	7.4
291.07150	1.7
293.07269	3.2
297.08154	9.6
303.06998	2.1
305.07126	10.6
309.08249	1.5
317.07159	1.7
321.08179	1.9
327.09250	13.2
333.17932	1.1
335.08231	3.6
343.08813	2.3
351.09341	6.2
365.09296	13.1
369.10266	29.4
383.11380	1.6
385.09818	1.2
387.11349	31.0
549.16650	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44618	0.9
58.99869	1.3
68.98297	1.1
69.03442	1.4
69.91093	4.9
70.60049	1.0
77.00911	1.3
79.05500	1.6
81.03419	1.3
82.99886	4.0
89.03939	1.4
97.02888	1.7
101.00887	18.7
107.04956	27.3
107.05640	1.9
109.02901	1.8
111.02947	1.2
112.75662	1.0
113.00871	6.2
115.02440	2.3
117.03350	2.1
119.01926	21.3
127.02377	5.5
129.00281	1.1
129.04013	4.8
131.01915	10.2
135.04425	2.7
135.58200	1.1
137.00867	1.5
137.02956	1.4
137.04518	1.7
137.58575	1.0
139.02441	2.2
143.01895	28.7
145.03529	11.0
147.05002	1.4
149.03036	1.3
153.04016	6.3
155.01904	20.0
155.05539	12.3
157.03481	8.2
161.02953	22.6
163.03911	21.7
163.06131	2.9
164.04298	2.2
167.01901	15.6
169.03479	4.7
171.05046	18.8
173.02972	20.5
173.06458	5.0
179.01906	5.5
179.05548	2.9
181.03593	2.5
181.07095	25.3
181.17741	1.0
183.05066	5.6
185.02960	48.3
185.06601	2.2
187.04573	5.6
195.05040	3.1
197.02960	21.6
197.06601	5.4
198.98526	2.2
199.08188	16.3
203.03990	9.0
205.07191	2.0
207.04970	5.0
209.02936	1.8
213.06082	2.7
215.03981	9.7
215.07552	1.8
221.05057	2.5
223.04489	1.9
223.08118	9.7
225.06071	11.1
227.04041	11.4
239.07701	1.6
241.05602	2.5
243.07213	3.6
245.05080	100.0
246.05388	3.9
249.06105	7.7
255.07199	1.7
257.05133	6.1
261.06100	1.7
263.06125	13.6
265.05569	2.3
267.07144	81.0
268.07336	1.7
275.06146	11.8
279.07150	10.0
281.08743	3.4
283.06693	3.6
285.08334	6.5
291.07025	2.5
293.07248	3.8
297.08215	10.0
299.06088	1.4
299.09534	1.2
303.07285	2.7
305.07135	9.4
309.08105	1.3
311.09897	1.9
317.07114	2.2
321.08249	2.7
327.09232	16.2
335.08334	5.3
339.08987	1.3
343.08511	1.2
351.09100	6.7
365.09317	14.5
369.10324	32.2
369.14987	1.7
385.10184	1.1
387.11343	34.7
387.16275	1.7
403.10959	1.5
439.34161	1.1
479.12524	1.8
549.16730	29.2
550.16296	1.2
563.18488	1.5
625.19025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.52
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29199	18.1
57.07068	49.5
67.05508	51.8
69.07087	25.5
69.32723	100.0
69.33160	82.1
71.08658	40.1
79.05507	32.7
81.07056	34.8
85.10169	18.7
86.48965	18.6
91.05461	38.0
95.08608	50.6
97.03850	24.4
99.05885	23.7
101.79112	24.4
105.07024	31.8
107.08582	27.5
109.10146	26.8
119.08580	38.2
131.08545	23.4
133.10159	24.8
147.11639	38.2
161.13287	31.0
202.86296	21.6
226.86542	22.0
247.56461	22.9
259.20602	91.8
266.71194	24.5
313.27402	87.8
333.24356	51.6
397.53723	25.4
627.23279	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	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03943	4.6
55.01880	7.5
55.03067	1.1
55.05510	37.8
57.03440	6.5
57.07064	2.5
59.04996	2.3
59.26611	1.1
61.35288	1.1
65.03949	3.4
67.05506	52.6
69.03432	4.4
69.07067	19.8
71.04996	2.7
79.05492	42.3
81.03419	19.2
81.07056	46.3
83.04971	6.5
83.08614	15.8
85.06540	3.5
91.05483	34.7
93.07042	36.2
95.04977	10.4
95.08607	29.4
97.06532	4.1
97.10165	18.8
103.05482	2.0
105.07033	32.1
107.04960	5.1
107.08595	24.6
108.49623	1.0
109.06538	4.6
109.10152	14.2
111.08081	2.4
115.05455	6.6
116.06243	2.0
117.07024	21.7
119.08579	23.3
119.09374	2.0
119.45978	1.1
121.06530	3.7
121.10142	10.9
123.08067	3.3
123.11741	3.8
125.09640	15.8
125.59859	1.1
128.06232	5.7
129.07019	17.2
130.07799	1.9
131.04948	3.0
131.08562	20.4
133.06517	3.2
133.10149	15.6
135.08072	5.6
135.11697	5.1
137.09612	3.1
137.13226	1.1
139.11252	1.3
141.06975	12.1
142.07785	3.6
143.08566	19.6
143.10599	1.6
145.06493	3.5
145.10129	18.1
147.04439	1.9
147.08022	5.0
147.11693	9.2
149.09682	3.0
149.13312	3.7
153.07088	2.8
153.09167	1.3
154.07776	2.1
155.06052	1.3
155.08565	15.3
155.95618	1.1
156.09346	1.9
157.06512	2.3
157.10126	18.5
159.08099	2.2
159.11690	14.2
160.05232	2.0
161.05998	5.0
161.09613	3.2
161.13298	4.6
163.11272	3.3
165.07018	1.8
166.07875	1.2
167.08578	9.7
168.09360	3.1
169.10129	17.2
170.10909	1.9
171.08076	2.9
171.11673	12.9
173.06015	4.4
173.09682	1.5
173.12003	1.3
173.13220	6.2
175.11186	1.6
175.14833	2.9
177.12741	2.6
179.08604	4.9
180.09404	1.8
181.10126	10.5
181.11530	1.2
181.12341	1.2
182.10945	1.7
183.08110	1.8
183.11687	16.5
184.12445	1.2
185.09595	1.6
185.13264	9.6
187.11172	2.0
187.14847	2.9
189.11188	11.2
191.08624	1.2
193.10100	6.2
194.11032	2.0
195.11714	8.1
196.12541	1.7
197.09583	2.1
197.13266	11.0
199.11212	1.6
199.14926	5.8
201.16446	1.8
203.14381	1.4
205.10217	2.8
205.15953	1.9
207.11745	5.2
207.13681	1.2
209.13251	9.4
211.11285	2.1
211.14847	5.3
213.12764	2.2
213.16499	2.6
215.14461	1.4
215.18059	1.8
216.09302	1.2
219.11771	3.0
221.13293	2.8
223.13028	1.3
223.14951	6.6
225.16432	4.2
227.12686	9.0
227.18030	2.8
233.13249	1.7
235.14983	3.2
237.16443	4.5
239.14362	1.5
239.18050	4.4
241.19800	2.1
243.13902	1.6
245.13368	1.2
247.14890	1.2
249.16586	2.8
251.14328	1.3
251.17992	2.6
253.19730	2.2
257.19116	3.6
259.17090	1.3
259.20538	5.5
261.16284	1.6
267.21063	1.7
271.13428	3.8
271.16898	2.7
273.14948	2.2
273.18506	3.4
275.20169	4.8
277.19449	1.4
283.20602	1.4
289.14453	1.8
289.18042	1.7
291.19556	11.8
309.22202	2.4
313.21826	1.5
315.23270	2.3
327.23361	1.6
335.25876	2.1
339.23291	1.9
345.16916	1.7
347.18564	1.6
347.22977	1.0
353.24680	1.3
363.26993	2.7
377.17883	1.3
377.28482	2.0
379.30096	8.9
381.28073	1.8
391.19479	3.0
393.20853	1.2
393.28235	1.3
415.19223	2.1
419.18726	2.1
421.20148	1.9
428.20706	1.3
433.31406	1.9
443.22800	1.2
447.18036	2.1
448.18921	2.3
451.31989	1.4
455.31522	1.2
463.20865	1.4
469.32999	1.1
471.21936	2.6
486.20105	1.4
490.19678	1.6
495.35889	1.4
499.21454	6.6
501.23044	1.7
503.20984	2.5
513.37555	3.4
517.22601	5.0
525.35925	7.1
526.36414	1.4
529.22491	4.7
531.38837	5.5
535.23480	4.2
545.21887	18.5
549.39722	5.2
554.36304	3.8
555.36798	1.8
563.22717	8.0
573.21155	5.9
605.24042	32.6
605.41803	16.4
606.24854	2.5
623.25330	44.2
623.43036	100.0
624.25250	4.4
624.43616	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	623.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
55.01876	15.9
55.05512	32.8
57.03438	18.1
57.07082	3.8
65.03950	9.6
67.05506	97.7
69.03413	3.8
69.07071	31.0
71.04998	5.3
71.43510	1.8
71.49898	2.2
79.05495	66.2
81.03419	41.7
81.03869	2.9
81.07057	68.4
83.04980	8.9
83.08617	16.1
85.06553	11.0
91.05487	72.2
93.07047	69.6
95.01350	5.5
95.04970	61.1
95.08604	47.1
97.06541	17.4
97.10193	6.6
99.04423	2.3
99.08110	3.0
103.05494	2.8
104.06298	2.3
105.04550	4.7
105.07035	66.5
107.04967	21.1
107.08604	35.5
109.02905	2.5
109.06522	39.6
109.10156	13.2
111.08094	5.9
113.06004	21.4
115.05505	8.0
117.07027	33.0
117.07761	2.8
119.04961	2.2
119.08588	48.0
119.09373	3.1
121.06518	9.4
121.10154	17.6
123.04448	2.3
123.08061	10.1
123.11738	2.4
125.09639	3.4
128.06277	6.4
129.06992	18.4
130.07796	2.4
131.04980	3.4
131.08575	34.4
131.09526	2.3
133.06531	7.5
133.10129	31.4
135.08044	20.4
135.08829	1.6
135.11678	14.5
137.06007	2.9
137.09641	4.5
141.07053	7.8
142.07860	3.2
143.08546	21.5
145.06535	7.2
145.10136	30.6
147.04457	2.4
147.08096	7.8
147.11690	19.2
149.09630	9.3
149.13297	6.1
151.11147	2.4
153.07019	4.3
155.08572	10.4
156.09424	2.9
157.10133	18.1
159.08109	6.1
159.11694	25.6
160.05273	3.4
161.06065	6.8
161.09683	8.2
161.13271	8.9
163.11136	8.7
165.07091	4.2
166.07729	2.2
167.08640	5.6
169.10109	12.7
171.08084	2.6
171.11720	19.8
173.06082	7.8
173.09676	5.8
173.13228	16.0
175.11278	4.9
175.14891	3.0
177.12837	4.6
179.08609	3.2
179.14372	6.1
181.10097	8.5
183.11729	12.1
184.12357	1.9
185.09715	1.9
185.13278	11.1
187.07608	2.8
187.11232	5.5
187.14832	4.2
189.11253	2.3
193.10287	2.9
195.08263	1.8
195.11774	8.2
195.13791	2.0
197.09799	2.4
197.13335	5.7
199.11191	4.1
199.14897	5.2
201.16396	3.4
203.10849	2.0
203.14445	3.3
205.10199	2.2
205.12312	2.4
207.11809	4.2
207.13766	2.0
209.13348	4.9
211.11398	2.8
211.13205	3.0
211.15007	3.7
213.16330	2.5
215.14313	2.5
217.16022	6.6
221.13284	4.0
227.14407	2.6
227.18007	3.9
229.19553	3.9
233.13205	2.7
235.14882	3.7
237.16478	4.5
239.18042	3.6
241.19637	4.7
243.13896	2.4
247.14905	2.2
249.16678	2.2
255.17537	3.7
257.19000	9.1
259.20712	13.0
267.16046	2.7
271.13412	6.3
273.15350	3.8
273.18466	21.9
275.20050	20.1
279.16040	8.3
289.14478	4.4
291.19553	26.8
315.23395	4.0
327.26746	4.9
333.24347	6.0
335.25958	4.3
339.23459	2.5
347.18625	2.4
347.22433	6.8
349.23883	2.2
507.24435	1.9
513.37268	3.4
525.35980	3.0
531.38409	7.7
549.39813	5.0
549.97668	2.1
551.37292	2.7
553.00964	2.1
553.93298	2.1
567.40363	2.6
605.42474	17.7
623.43170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75400	2.5
53.03947	13.9
53.49162	2.6
55.01863	8.4
55.05510	34.6
56.31650	2.9
56.68878	2.5
57.03428	11.4
61.02941	4.0
65.03941	5.4
67.05140	3.3
67.05503	66.3
69.03424	26.7
69.07065	22.3
70.88416	3.6
71.04984	9.9
79.05493	54.0
81.03418	100.0
81.07052	82.7
83.04988	25.3
83.08624	24.0
85.02898	21.4
85.06548	3.5
91.05480	56.5
93.07044	50.8
95.04961	30.6
95.08597	24.3
97.02898	19.4
97.06554	10.7
97.10173	4.5
99.04443	8.4
99.08096	3.5
105.04514	3.0
105.07032	34.1
107.04964	13.9
107.08601	29.3
109.02868	18.7
109.06517	8.7
109.10145	10.1
111.04448	16.4
111.08082	8.8
117.07019	13.0
119.08585	22.6
121.06508	8.3
121.10152	21.9
123.04418	4.1
123.08038	4.8
123.11673	4.7
125.09663	5.0
127.03940	10.8
129.07002	10.9
131.08571	23.4
133.06514	6.2
133.10159	16.8
135.08026	4.3
135.11694	8.8
141.07025	3.0
143.08603	6.0
145.06482	4.0
145.10187	6.6
147.08084	5.2
147.11688	21.9
149.09555	4.5
149.13214	13.3
153.12692	3.6
155.08553	5.4
157.06584	3.6
157.10115	15.0
159.11676	11.3
163.11145	3.9
165.12752	6.1
173.13159	3.3
175.11185	6.7
177.12741	3.2
186.85501	2.5
191.10707	4.8
193.12251	38.3
195.13821	12.2
211.13260	44.9
227.12823	7.5
227.80341	2.9
267.15863	10.1
269.17505	11.9
275.16486	3.0
285.17056	8.5
303.15778	4.6
309.16833	3.2
321.17023	3.8
339.18076	8.9
355.17554	3.0
358.55945	3.2
369.24146	4.4
395.20557	5.9
411.20093	4.6
417.25836	3.9
443.27805	5.7
461.28970	26.0
479.30295	17.8
503.29938	4.6
605.32959	9.6
623.34222	75.9
624.34955	2.7
652.74292	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.7
55.01884	10.6
55.05513	35.5
57.03435	14.6
57.07079	2.5
61.02927	2.4
65.03934	8.5
67.05505	70.2
69.03430	24.2
69.07066	21.9
70.26089	1.6
70.80255	3.3
71.05008	10.2
71.05316	1.9
75.29378	2.0
79.05495	58.5
81.03419	100.0
81.07055	86.6
83.04977	23.4
83.08623	24.0
83.19559	1.8
85.02894	24.5
85.06547	5.3
91.05479	64.6
93.07043	62.1
95.04972	27.9
95.08604	28.2
97.02895	18.0
97.06526	14.4
97.10180	7.5
98.98498	3.0
99.04462	5.5
99.08115	3.2
103.05498	2.6
105.06328	1.9
105.07035	38.5
107.04960	12.7
107.08582	31.4
109.02886	13.6
109.06513	7.4
109.10135	10.0
111.04459	14.5
111.08086	9.3
115.05456	3.4
117.07028	16.3
119.04915	3.2
119.08577	30.1
121.06493	4.6
121.10144	19.4
123.04462	4.1
123.08111	5.9
123.11743	6.8
125.09618	5.7
127.03926	11.6
128.06287	2.9
129.06999	15.7
131.04944	2.7
131.08566	24.1
133.06526	5.0
133.10136	19.4
135.08055	6.1
135.11708	5.8
137.06038	3.1
141.06995	3.0
142.07776	4.2
143.08562	7.3
145.06482	5.2
145.10120	12.1
147.04398	2.9
147.08087	6.7
147.11690	18.5
149.09660	8.9
149.13234	13.9
153.12782	3.3
155.08571	6.4
157.10117	11.7
159.08049	4.0
159.11684	12.9
161.06035	2.8
161.09476	1.9
161.13339	3.8
163.11195	7.5
165.12773	7.7
167.08470	1.9
169.10129	4.6
171.08087	2.1
171.11716	3.4
173.04472	3.4
175.11179	10.2
177.12779	5.9
181.10239	2.8
181.12221	3.6
183.11722	4.5
185.13257	2.1
187.14830	2.2
189.11278	4.8
189.12790	2.6
191.10654	4.0
193.12230	39.7
195.11839	3.9
195.13878	9.3
197.13367	3.8
199.06052	2.0
199.14877	3.1
207.11678	3.5
211.13281	44.6
227.12823	6.9
249.15039	4.8
267.15939	10.9
269.17477	9.7
275.16464	3.2
275.20071	2.4
277.14764	2.0
283.15323	3.9
283.20715	2.2
285.17072	5.4
303.16016	3.4
309.16956	1.8
321.17035	5.5
339.18121	8.2
355.17673	3.8
369.24280	2.7
387.25330	2.6
395.20554	9.2
411.20096	3.9
443.28061	4.0
451.32184	4.1
461.29117	17.4
469.33408	2.1
479.30157	16.0
525.35724	15.4
569.30975	2.3
587.32318	3.0
605.32837	9.0
623.34106	75.8
623.41254	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.3
53.03952	10.8
55.01868	8.4
55.05514	26.3
57.03450	14.2
58.87362	2.4
65.03941	4.7
66.73351	2.1
67.05510	65.0
68.65688	2.3
69.03157	1.9
69.03442	26.9
69.07070	22.0
70.31838	2.0
70.93846	4.5
71.04994	8.3
73.02927	2.1
79.05075	4.0
79.05497	55.5
81.03422	100.0
81.07062	75.2
83.04987	19.6
83.08627	28.0
85.02908	20.4
85.06552	2.8
91.05484	51.0
93.07041	50.1
95.04972	29.0
95.08601	25.4
97.02882	21.8
97.06535	11.7
97.10172	9.5
99.04472	6.1
103.05487	2.9
105.07030	35.3
107.04952	13.0
107.08604	24.0
109.02872	18.0
109.06532	7.7
109.10172	6.6
111.04459	13.6
111.08081	10.7
115.05498	2.6
117.07028	14.6
119.08611	20.5
121.06541	9.1
121.10143	20.2
123.04471	4.2
123.08075	4.6
123.11692	4.8
125.09624	5.4
127.03924	10.9
128.06227	3.3
129.05447	2.4
129.06992	14.0
131.04984	3.4
131.08580	21.0
133.06470	3.6
133.10146	19.1
135.08046	4.8
135.11714	9.3
137.09641	3.5
141.06979	3.5
142.07767	2.5
143.08624	4.1
145.06485	6.5
145.10135	7.3
147.08057	5.4
147.11682	18.3
149.05942	2.6
149.09668	8.8
149.13234	12.0
153.12590	2.4
155.04893	2.7
155.08571	3.2
157.10168	11.9
159.08058	4.8
159.11737	8.6
163.11200	5.3
165.12799	4.7
167.08473	2.5
169.10120	3.1
171.08061	2.6
171.11708	3.1
173.04533	4.3
175.11143	12.0
177.12735	2.8
179.14293	2.4
181.12274	2.9
183.11626	2.2
191.10690	5.3
193.12257	36.2
195.11922	2.5
195.13831	12.2
211.13301	52.8
227.12863	4.4
267.15961	15.2
269.17572	13.0
285.17227	4.9
301.14294	2.8
321.17044	2.7
326.35703	2.7
339.18158	5.3
347.18314	3.1
355.17578	3.4
369.24396	6.6
377.19934	2.7
393.19003	4.4
395.20831	5.6
411.20343	4.4
435.27057	4.6
442.82828	2.4
443.27838	10.9
453.68954	2.4
461.28958	32.3
479.30295	15.7
511.44281	2.3
522.95221	2.8
545.30682	2.9
569.31317	4.4
587.31812	5.1
605.33386	14.9
623.34229	81.4
623.44476	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	623.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	15.0
55.01873	7.2
55.05308	2.6
55.05518	27.4
57.03430	13.0
57.07099	2.6
61.23585	2.1
65.03931	4.1
67.05505	60.0
69.03432	21.8
69.07069	17.4
69.22438	19.1
69.22852	5.3
69.81191	2.2
71.01344	4.7
71.04990	11.9
72.10311	2.3
79.05023	2.5
79.05493	54.7
81.03419	100.0
81.07059	76.1
81.07537	4.1
83.04976	23.3
83.08611	23.2
85.02911	22.8
91.05481	54.0
93.07047	57.5
95.04974	24.1
95.08614	24.8
97.02895	15.5
97.06548	15.2
97.10161	6.6
98.21507	5.8
99.04465	5.3
99.08112	3.0
105.04498	3.4
105.07024	33.6
107.04946	10.9
107.08587	23.5
109.02878	23.7
109.06544	8.1
109.10194	5.5
111.04431	14.7
111.08076	11.2
113.06017	2.7
115.05430	3.2
117.07036	16.7
119.04945	2.2
119.08578	25.4
121.06524	9.6
121.10145	19.2
123.08112	3.4
123.11730	5.9
125.09596	5.1
127.03956	14.8
129.07007	12.9
131.04915	4.2
131.08562	22.6
133.06479	5.0
133.10170	11.6
133.23376	2.3
135.08057	2.7
135.11732	8.2
137.09644	3.0
143.08582	5.1
145.04575	2.3
145.06508	5.9
145.10139	5.9
147.04459	2.9
147.08080	3.7
147.11678	19.8
149.09596	5.2
149.13249	13.3
153.12801	2.7
157.10152	15.6
158.18364	2.2
159.08142	2.3
159.11720	9.3
163.11194	5.8
165.05524	2.5
165.12827	9.5
169.10144	3.4
171.11725	2.8
173.04471	3.8
173.09654	3.0
173.13275	3.2
175.11232	7.0
177.12785	7.7
181.12268	4.0
187.11227	2.9
193.12247	30.4
195.12025	2.3
195.13858	10.1
199.70634	2.3
211.13275	46.9
227.12776	7.3
249.14964	3.4
267.15900	16.8
269.17426	13.6
273.14908	2.9
285.17044	9.0
303.15796	3.1
321.17020	3.3
339.18106	7.8
351.91782	2.8
355.17679	5.9
377.19592	4.2
387.25128	2.9
395.20804	6.0
406.80084	2.3
407.26215	2.4
411.20490	3.5
443.28021	6.5
461.29074	20.3
479.30380	21.7
587.31897	4.4
605.33258	13.6
609.58777	2.6
623.34229	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.7
55.01872	4.9
55.05512	25.7
57.03432	11.1
57.07090	2.8
65.03941	4.9
67.05507	55.4
69.03433	20.5
69.07076	17.6
71.04993	8.3
75.16947	1.8
79.05502	55.1
81.03424	100.0
81.07058	75.1
81.07536	3.7
83.04990	21.7
83.08627	23.0
85.02912	15.2
85.06548	2.7
91.05486	42.0
93.07050	52.3
95.04971	20.7
95.08612	23.5
97.02894	17.8
97.06525	12.6
97.10187	7.2
98.21564	3.4
99.04475	3.8
99.08083	2.4
105.07038	27.8
107.04965	8.0
107.08606	21.1
109.02875	18.0
109.06542	5.5
109.10177	5.7
111.04472	19.8
111.08105	8.9
113.06022	2.5
117.07021	10.2
119.08595	14.0
121.06494	6.1
121.10160	17.1
123.04434	3.0
123.08073	4.6
123.11707	4.9
127.03936	12.9
129.07034	9.2
131.08543	12.2
133.06465	3.8
133.10136	11.3
135.08109	3.2
135.11757	8.4
137.05927	2.1
137.09789	2.4
141.07085	2.9
143.08560	2.6
145.06461	2.5
145.10083	4.1
147.08051	3.3
147.11705	12.5
149.09695	6.9
149.13254	17.4
149.14203	1.8
153.12741	2.8
155.08685	2.1
157.10161	8.8
159.11740	6.9
163.11272	5.5
165.12798	5.3
175.11148	12.4
177.12799	6.0
181.12271	4.5
189.11298	2.2
191.10738	5.5
193.12250	36.9
195.13818	9.4
207.46738	2.1
209.11865	2.5
211.13310	53.6
213.14851	2.2
227.12714	10.0
267.16046	9.3
269.17551	9.2
283.15619	3.0
285.17007	3.7
297.17294	2.2
301.13934	2.4
339.18082	5.2
355.17563	9.5
369.24390	4.3
395.20831	3.3
411.20364	4.1
417.26309	2.2
443.28549	2.8
461.29111	16.8
479.29971	15.9
605.33356	6.9
623.34320	86.3
623.44580	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	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03945	14.9
55.01871	8.7
55.05518	28.8
57.03437	11.1
61.02918	2.6
64.62057	2.1
65.03941	4.1
67.05505	62.7
69.03429	21.9
69.07075	21.3
71.01343	2.1
71.04986	11.2
77.33757	2.1
77.93884	1.7
79.05499	50.3
81.03423	100.0
81.07060	80.7
83.04994	22.8
83.08624	25.4
85.02912	19.9
85.06526	3.7
87.05925	1.8
91.05485	54.9
93.07048	48.9
93.07634	2.2
95.04977	25.6
95.08616	27.3
97.02895	14.5
97.06541	10.9
97.10195	8.3
99.04466	3.9
100.47285	2.2
105.07027	33.4
105.07690	2.4
107.04966	11.2
107.08592	30.1
107.43961	2.3
109.02898	19.9
109.06550	7.6
109.10177	8.7
111.04453	13.5
111.08083	10.3
115.05467	3.4
117.07009	13.8
119.08584	19.9
121.06515	6.4
121.10160	18.3
123.04482	2.1
123.08065	5.4
123.11713	6.6
125.09631	5.3
127.03957	10.4
128.06226	2.6
129.05556	2.2
129.07043	11.7
130.07831	2.0
131.05046	2.1
131.08557	21.2
133.06490	6.5
133.10147	16.7
135.08098	3.0
135.11714	5.7
137.06017	2.4
141.07028	3.0
142.07782	3.0
143.08556	5.6
145.06537	4.7
145.10172	6.9
147.04462	2.5
147.08098	5.1
147.11726	21.7
149.09656	5.9
149.13275	15.2
154.07953	2.2
155.08611	6.6
157.10187	16.8
159.08054	3.5
159.11705	10.3
163.11169	5.0
165.12823	5.8
169.10201	3.3
171.08078	3.2
171.11728	5.1
173.04527	2.6
173.13297	2.5
175.11171	13.0
177.12759	5.5
181.10225	2.3
181.12164	2.0
183.11737	4.3
189.11278	2.5
191.10648	3.8
193.12253	31.4
195.13876	7.9
197.13245	3.5
209.11714	2.3
211.13289	46.7
213.14737	2.8
219.13614	1.9
227.12926	5.9
229.53645	2.8
233.15230	2.1
241.64035	2.1
249.14960	2.5
257.15289	2.2
257.19070	3.4
264.96594	1.9
267.16000	10.1
267.88104	2.2
269.17566	8.6
275.20132	3.0
285.17114	4.1
321.17206	3.1
339.18173	8.0
355.17633	6.1
369.24280	6.7
377.19717	2.9
393.19342	3.0
395.20764	7.6
411.20181	3.5
435.27579	2.7
443.28189	5.4
451.31979	3.1
461.28979	22.6
469.33524	3.5
479.30148	13.5
525.35870	9.1
587.31940	3.1
605.33270	8.0
623.24481	4.4
623.34296	76.4
623.43213	6.8
624.34619	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05509	1.3
57.03422	0.3
57.07070	0.2
67.05506	1.7
69.07053	0.6
69.91730	1.3
79.05489	1.8
81.03384	0.5
81.07052	1.8
83.04968	0.8
83.08591	0.5
91.05496	1.5
93.07050	1.4
95.04957	0.4
95.08620	1.2
97.02850	0.2
97.06509	0.7
97.10160	0.3
98.20799	0.3
105.07004	1.1
107.08572	1.0
109.06522	0.3
109.10151	0.6
113.01486	0.2
117.07008	0.6
119.08597	1.0
120.08061	0.4
121.10134	0.5
131.08553	0.6
133.10121	0.7
135.08099	0.3
135.11656	0.3
141.06947	0.3
143.08533	0.3
145.10136	0.6
157.10098	0.5
159.08101	0.3
159.11610	0.4
163.11183	0.4
171.11655	0.3
196.09966	0.3
204.06451	0.3
209.10754	0.6
211.12115	0.3
223.08662	0.5
226.96178	0.2
237.10237	0.5
237.13951	0.3
251.11841	0.3
257.18945	0.3
275.20148	0.7
289.17801	1.2
314.12817	0.3
331.18686	0.8
355.17123	0.3
370.15503	0.3
375.16104	0.3
376.16537	0.4
377.17456	0.8
388.16956	0.3
389.17621	1.2
390.18726	0.6
391.19232	2.0
392.19620	0.4
393.20505	0.5
401.17505	0.6
402.18494	0.4
403.14743	0.5
403.19263	1.0
404.15750	0.5
404.20004	0.9
405.16638	0.7
405.21246	2.3
406.21744	1.3
407.22330	1.0
414.14218	0.3
415.19666	0.4
416.19882	0.8
417.16336	1.3
417.21506	0.5
418.17148	1.4
419.17505	2.2
419.22391	1.9
420.19470	0.8
421.24377	1.9
428.20078	0.3
429.17090	1.1
430.17221	0.4
431.17712	1.6
431.23035	0.7
432.19168	1.4
433.19958	3.2
434.21078	1.5
435.21729	1.1
443.18497	0.8
444.19000	0.6
445.20142	2.9
446.20779	1.1
447.22678	3.5
448.23175	2.0
449.23511	4.3
457.20087	0.4
458.20862	1.0
459.22134	1.7
460.22644	0.5
461.18921	2.8
462.20477	1.1
463.21201	1.5
475.20410	1.6
476.21964	4.5
477.22867	4.4
487.21188	0.3
489.23285	2.3
490.23340	0.6
491.20859	0.6
493.22253	0.4
503.24561	1.4
505.22278	0.6
507.27664	0.3
519.23474	0.5
521.21906	0.9
531.23901	0.4
533.25720	3.1
535.27612	3.2
545.25146	1.1
548.24377	0.4
563.26508	15.6
564.26849	0.6
591.26251	1.2
593.27838	0.6
595.28711	0.9
605.27789	2.5
623.28326	100.0
623.38892	24.6
624.20776	0.3
624.29242	3.5
624.39136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05519	2.7
55.77124	0.5
67.05507	3.6
68.85600	0.5
69.07059	1.9
71.04986	0.5
71.49854	0.7
79.05495	3.6
81.03405	0.9
81.07059	4.7
83.04971	0.7
83.08632	1.9
91.05476	3.5
93.07044	3.2
95.04961	0.9
95.08598	1.9
97.06531	0.7
97.10176	2.3
105.07021	3.2
107.04964	0.8
107.08610	2.2
109.06524	0.5
109.10161	1.6
115.05402	0.5
115.73214	0.5
117.07008	2.5
119.08605	3.5
121.06526	0.6
121.10180	1.3
123.08144	0.6
129.07056	1.0
131.08595	1.8
133.10112	1.3
135.08113	0.8
143.08539	1.1
145.06470	2.6
145.10141	1.2
147.08083	0.6
147.11713	0.7
157.10135	0.7
159.08150	1.0
159.11678	0.9
159.68236	0.5
161.09621	0.7
169.10126	0.9
171.11765	0.7
183.11755	0.7
189.11327	0.8
199.14955	0.5
227.12903	1.3
264.17700	0.6
271.17050	4.3
271.19684	0.8
275.20187	1.2
289.18057	1.0
335.25922	0.8
345.20679	0.9
375.15967	1.4
389.17667	3.1
390.18451	1.8
391.19119	3.1
401.18011	1.1
402.18674	1.3
403.19543	3.2
404.20224	2.3
405.20718	9.5
406.21854	0.9
416.20346	0.6
417.16245	5.7
417.21481	2.2
418.17651	3.6
419.18332	3.2
431.18259	5.8
432.19379	8.0
433.20166	9.3
444.19537	0.5
445.20639	2.6
446.21155	0.7
449.23550	2.0
459.21960	1.2
461.19794	2.1
462.20920	0.8
463.21490	2.0
475.21552	1.9
476.22086	5.9
477.23499	4.8
487.21268	1.0
489.23163	1.6
490.23721	0.7
491.24756	1.5
503.24579	1.0
519.23895	21.0
520.24475	1.0
521.21991	1.1
525.35742	0.9
535.27423	0.6
547.23230	1.0
548.23938	0.6
563.26563	13.4
564.26715	0.6
579.26013	5.0
605.27063	0.8
605.42371	0.7
623.28662	100.0
624.29364	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01874	0.7
55.05515	1.3
57.03439	0.4
65.03921	0.4
67.05515	3.4
69.07066	1.1
71.58104	0.2
76.24295	0.4
79.05501	3.0
80.85853	0.3
81.03402	0.5
81.07063	3.1
83.04995	2.1
83.08625	0.9
84.03828	0.3
91.05489	3.0
93.07054	3.1
95.04971	0.9
95.08629	2.1
97.06557	0.8
97.10194	0.4
97.29352	0.3
105.07027	2.2
106.06567	0.6
107.04964	0.6
107.08610	1.8
108.29954	0.3
109.06544	0.5
109.10180	1.2
114.35474	0.3
116.99497	0.3
117.07034	1.2
119.08580	2.4
121.10163	0.9
123.08106	0.4
125.09724	0.4
129.07018	0.6
131.08589	1.8
133.10138	1.1
135.08066	0.5
135.11656	0.4
137.09662	0.4
143.08588	0.6
145.10133	1.1
147.11728	0.4
149.09723	0.6
150.06566	0.3
157.10164	0.4
159.08047	0.5
159.11697	0.9
163.11172	0.5
169.10127	0.7
171.11688	0.3
171.92885	0.3
173.09630	0.4
179.14423	0.4
185.13226	0.4
187.14827	0.4
189.11267	0.4
193.12328	0.4
197.10753	0.4
209.10748	0.6
210.11508	0.4
222.11563	0.3
223.08778	0.3
223.12320	0.4
237.10368	0.4
237.13928	0.4
239.11751	0.4
239.18021	0.4
243.17317	0.3
261.18472	0.4
265.13431	0.4
271.17123	0.5
275.20102	1.2
277.09821	0.3
286.13516	0.4
289.18118	2.0
293.21219	0.3
315.19397	1.1
330.16214	0.3
331.18799	3.2
342.15891	0.4
345.20605	0.4
365.23608	0.4
371.16199	0.4
375.16284	0.6
377.17688	1.1
388.16757	0.4
389.17633	1.0
390.18542	0.9
391.19543	1.5
392.19867	0.7
401.17969	0.4
403.19733	1.5
404.16031	0.8
404.20206	1.0
405.21295	2.1
406.21503	1.2
407.22348	0.8
415.19788	0.5
416.20105	0.4
417.16083	1.8
417.21338	0.9
418.17508	0.9
418.22275	0.6
419.17621	2.4
419.22589	1.6
420.19412	1.0
421.24197	2.7
429.17020	1.0
430.17734	0.5
431.18411	1.2
431.22974	0.9
432.19611	1.3
433.20163	3.9
434.20721	1.0
435.21786	1.3
443.18771	0.9
444.19241	0.6
445.20273	3.8
446.21429	2.0
447.22421	5.3
448.22952	1.9
449.23502	5.0
450.24185	0.6
457.20288	0.3
458.21057	1.5
459.22324	1.9
460.22638	0.4
461.18719	2.7
462.20453	1.3
463.21222	2.4
464.21896	0.4
465.23053	0.3
475.20697	2.4
476.22052	6.1
477.23019	5.6
489.23181	2.8
490.23666	0.7
491.20380	0.4
503.24802	1.6
504.25504	0.4
505.21982	0.6
507.23065	0.5
519.23871	1.1
520.24518	0.4
521.22107	1.3
525.35425	0.4
533.25769	3.1
534.23376	0.3
535.27515	3.6
545.25824	1.5
548.23541	0.4
563.26563	19.7
564.26471	0.6
591.25867	1.2
593.27368	0.6
595.28571	0.6
605.27777	2.5
623.28448	100.0
623.39148	54.2
624.28973	3.4
624.38757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.44967	0.3
55.01868	0.7
55.05513	2.0
57.03436	0.4
57.07062	0.8
67.05502	3.6
69.07073	1.4
69.92968	1.7
73.73961	0.3
79.05498	2.6
81.07060	3.3
83.04969	0.8
83.08617	0.5
85.10194	1.0
91.05491	2.8
93.07046	2.0
95.04964	1.0
95.08609	2.1
97.06551	0.7
98.21523	0.4
105.07021	1.9
107.04971	0.8
107.08609	1.2
109.06504	0.7
109.10164	1.2
109.70316	0.4
113.09671	0.6
117.07004	0.8
119.08578	1.7
121.06499	0.5
121.10154	1.0
131.08542	1.0
132.27942	0.3
133.10141	1.0
135.08096	0.5
135.11839	0.4
145.10143	1.0
147.11722	0.7
149.09634	0.7
157.10181	0.5
159.11768	0.7
163.11197	0.5
165.12759	1.4
171.11694	0.4
195.01086	0.3
233.15115	0.4
275.20224	1.7
276.20428	0.4
277.21713	2.4
278.22061	0.9
289.18030	1.5
295.22787	1.7
296.23068	1.4
314.16840	0.4
315.19043	0.5
331.18823	0.7
339.33618	0.3
375.16641	0.6
376.16949	0.7
389.18118	0.5
390.18643	1.4
391.19226	1.3
392.19815	0.5
401.17819	0.5
403.19666	0.6
404.15863	0.6
405.20871	3.8
406.19818	0.4
407.22379	0.4
415.19226	1.2
416.20502	0.7
417.21030	0.7
418.17502	0.4
419.18698	1.1
419.23148	0.7
420.23090	1.3
421.23941	0.6
428.20044	0.5
429.21014	2.6
430.21558	0.8
431.22562	0.8
432.15555	0.6
433.19830	2.9
434.20700	0.6
435.21921	0.7
443.22525	1.3
444.23096	1.2
445.19724	0.7
446.17401	1.0
447.17868	8.0
448.23038	2.9
449.23538	2.0
452.22464	0.6
456.19492	0.4
458.25180	1.0
459.21259	2.9
460.22638	1.5
461.19281	9.2
462.20642	1.4
463.21436	1.1
465.22958	0.5
471.22113	0.5
472.22583	1.8
473.23227	1.7
475.21387	1.3
476.22095	19.9
477.22855	2.9
479.20981	1.5
485.23660	3.1
487.25494	2.4
489.18646	0.6
489.23328	0.5
503.24686	2.4
505.25562	0.4
513.22937	0.6
515.24506	1.4
517.26007	1.2
519.24127	1.4
521.26477	0.9
531.24036	4.3
545.25531	12.5
546.26129	0.9
547.26965	1.3
549.24957	2.0
559.23401	0.7
563.26410	7.6
577.28253	0.6
583.02966	0.4
591.26215	6.0
605.27679	2.3
605.38055	1.0
622.61322	0.5
623.28668	100.0
624.29041	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21986	0.2
55.01875	0.3
55.05508	1.0
57.07065	0.4
63.34489	0.2
66.66235	0.2
67.05505	1.4
69.07053	0.4
69.22614	0.9
71.08647	0.3
77.85849	0.2
79.05505	1.7
80.43482	0.3
80.81712	0.2
81.03395	0.3
81.07052	2.1
83.04967	0.3
83.08616	1.1
85.10173	0.4
91.05489	1.5
92.05779	0.3
93.07047	1.0
95.04962	0.6
95.08603	1.0
96.05232	0.3
105.07021	1.0
106.07389	0.3
107.04968	0.5
107.08593	0.7
109.06507	0.4
117.07043	0.5
119.08591	0.8
121.10181	0.5
125.09640	0.4
129.07021	0.4
131.08575	0.4
133.10107	0.6
135.11703	0.3
144.08087	0.2
145.10123	0.6
149.09634	0.4
163.11168	0.5
163.53172	0.2
189.11270	0.4
221.10759	0.3
223.12468	0.5
252.59016	0.3
275.20010	1.0
276.20493	1.0
277.20874	0.6
293.21152	0.6
294.21552	0.5
295.21957	0.5
313.27408	0.3
314.16293	0.3
317.09085	0.2
331.18930	0.4
377.17816	0.3
387.15640	0.5
388.16769	0.4
389.17734	1.1
390.18347	0.5
391.19241	1.4
392.19928	0.6
401.17554	1.0
402.18610	1.2
403.19406	2.3
404.20090	1.1
405.21106	2.2
406.21725	0.5
407.22397	1.1
414.18494	0.4
415.19659	1.4
416.20142	0.9
417.16867	1.3
417.21765	1.9
418.17282	0.6
418.22043	0.5
419.22763	3.6
420.23172	1.2
421.24133	0.5
429.16528	0.6
429.21484	0.6
430.17090	1.6
430.22827	0.4
431.17786	3.4
431.23135	1.3
432.19266	0.9
432.23569	0.8
433.20160	5.2
434.21051	0.8
435.21805	0.5
441.17542	0.3
443.18134	1.9
444.18930	2.1
445.19861	5.7
446.21167	4.0
447.21857	5.4
448.22610	1.1
449.23486	0.8
457.20389	0.9
458.20969	6.8
459.21799	5.6
460.22937	3.5
461.19730	1.0
462.20612	0.7
463.21045	1.8
471.22101	0.7
472.22668	0.4
473.23419	1.7
475.20929	1.4
476.21902	1.2
477.23056	2.3
485.23602	0.7
487.25208	0.5
489.18768	0.4
491.24771	0.6
492.24927	0.3
503.20355	0.4
503.25403	0.4
504.25366	0.6
505.22681	1.3
517.22833	0.9
518.23041	3.7
519.23822	0.7
521.21582	1.2
530.22992	0.6
531.23755	0.9
532.24805	0.9
533.25525	7.9
535.27802	1.4
545.25604	3.3
546.26184	0.9
563.26514	9.1
564.26672	0.4
573.24847	0.9
577.27844	0.7
591.25922	0.9
593.27960	0.3
605.27618	9.3
606.27667	0.5
623.28656	100.0
624.28949	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	623.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09005	0.9
55.05543	0.8
60.29746	0.7
67.05495	1.8
79.05511	1.3
81.07078	1.6
93.07035	1.4
95.08605	1.5
98.21526	1.7
112.42884	1.1
225.13895	1.1
355.49405	0.9
376.16922	1.2
391.19357	2.7
392.20044	2.7
403.19455	1.3
405.21323	1.4
406.21524	2.8
407.22195	5.1
418.17416	1.4
419.22632	1.5
421.24078	4.0
432.19305	1.4
435.21732	8.4
447.17926	2.8
448.18854	3.6
449.23492	4.2
450.23972	1.0
459.17245	1.1
461.19803	3.9
462.20435	4.0
463.21207	11.6
475.21100	3.5
476.21817	8.9
477.22723	14.4
478.23312	2.9
489.22815	1.7
503.24622	1.3
504.20950	2.1
521.22070	1.3
522.22461	0.9
533.22644	0.9
535.24036	3.8
536.23871	4.0
547.27222	2.9
548.24170	2.7
549.25244	6.3
550.26099	3.3
563.26288	9.7
564.27136	12.4
579.30151	1.5
581.27667	1.3
591.25903	4.2
594.25891	1.9
595.29114	2.5
605.27692	2.3
608.25854	2.0
623.28564	100.0
624.28711	2.4
637.58844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28104	0.7
69.18813	3.6
69.19237	2.9
70.19267	0.7
97.94012	0.6
98.21587	1.2
173.89519	0.6
209.10690	1.1
218.00186	0.6
228.22844	0.7
377.17700	1.6
388.18011	0.8
389.18607	0.9
390.18304	1.9
391.19305	3.4
392.19919	4.2
393.20770	2.6
399.16043	2.0
400.16806	2.2
401.17670	2.9
403.19690	2.1
404.20560	2.0
405.20770	6.0
406.21558	4.9
407.22235	13.8
413.17422	1.5
414.18362	3.0
415.19431	5.1
416.20236	1.2
417.21179	1.5
419.22607	2.1
420.23047	2.6
421.23932	12.0
422.24536	2.0
427.19202	2.6
428.20212	3.7
429.20813	13.4
430.21780	3.2
431.17798	0.9
431.22739	1.1
432.19263	0.9
433.19797	1.3
433.24677	1.4
442.21872	1.3
443.22537	8.9
444.23318	5.7
445.19925	3.2
447.18066	2.2
455.18820	1.1
456.19525	1.4
457.24731	5.1
458.25226	6.6
459.21832	8.3
460.22366	2.5
461.19098	5.9
462.20117	1.8
463.21030	1.1
470.20935	1.9
471.21927	2.2
472.22513	6.6
473.18408	0.9
473.23538	2.3
475.21237	6.6
476.21768	5.3
477.22705	4.0
484.19016	1.1
485.23486	14.8
486.19949	2.2
486.24155	2.9
488.22079	2.0
489.22729	3.2
493.26239	1.0
499.21307	4.2
500.22101	2.1
501.23328	0.8
502.23688	1.9
503.24597	6.3
513.22778	4.0
514.23401	1.8
515.24420	0.9
517.26337	8.8
529.25726	1.2
531.23370	1.2
535.27112	4.4
545.25488	90.3
546.25897	3.1
564.27625	1.4
573.24951	21.3
591.26056	2.2
605.27600	100.0
606.27966	2.8
623.28625	96.0
624.28888	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.3
55.05423	1.1
55.05697	0.6
55.77032	0.3
57.03365	0.4
67.05406	2.5
69.06994	0.8
69.13125	3.6
79.05383	2.2
81.06947	2.4
83.04911	0.5
83.08533	0.6
85.10081	0.4
91.05362	2.1
93.07030	1.6
95.04877	0.6
95.08492	1.4
105.06909	1.4
107.04874	0.6
107.08458	1.3
109.06419	0.6
109.10089	0.7
115.05344	0.4
117.06870	0.9
119.08452	1.2
129.06898	0.4
131.08438	1.0
133.10022	0.8
145.10004	0.8
147.11632	0.4
157.10002	0.6
159.11620	0.7
173.13184	0.4
233.15144	0.4
237.13979	0.4
243.72075	0.3
251.15256	0.4
275.19977	1.0
276.20419	0.4
277.21503	0.6
278.22147	0.5
289.17987	0.5
292.19760	0.6
295.22397	0.5
314.27737	0.3
389.17935	0.6
391.19254	0.4
392.19888	0.4
401.18097	0.4
402.19226	0.4
403.19241	1.0
404.20404	0.6
405.20844	0.8
412.18451	0.4
413.17929	1.5
414.18256	1.1
415.19260	2.0
416.20184	1.0
417.21072	0.8
419.18237	1.0
419.22873	0.6
427.19684	0.7
428.20340	1.7
429.20819	7.4
430.22275	1.6
431.18481	1.3
431.23242	0.6
432.19266	0.7
433.19257	0.7
433.23877	2.1
434.21011	1.0
442.21582	0.8
443.22665	4.3
444.23489	3.4
445.19073	0.6
445.23874	1.7
446.21100	0.7
447.22644	2.1
448.22488	0.6
449.23331	1.6
456.19431	0.9
457.19730	1.4
457.24246	1.5
458.25528	2.3
459.21542	4.8
460.22794	2.5
461.19278	2.0
461.23627	2.2
462.20294	2.3
463.21527	0.5
470.21014	1.0
471.21866	1.7
472.22675	4.9
473.23798	3.3
474.20041	0.5
475.20956	1.7
476.21832	2.1
477.22778	3.8
485.23505	6.6
486.24582	1.6
487.25330	4.7
488.21899	1.0
489.22830	1.9
503.24530	3.1
504.24704	0.6
507.24008	0.7
513.23090	0.6
517.26337	4.2
518.24091	0.4
519.23633	1.4
520.24707	1.0
521.22113	1.2
531.23975	5.5
532.25085	0.4
535.26044	1.5
545.25531	54.4
546.25964	2.4
548.24243	0.7
563.26392	12.4
564.26587	0.5
591.25854	1.0
595.45300	0.4
605.27521	4.7
623.28674	100.0
624.28992	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	623.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14133	1.0
81.07057	0.9
89.80844	0.7
93.70841	0.8
97.95958	0.6
102.35403	0.6
118.24718	0.8
221.88422	0.7
234.13559	0.7
273.55948	0.8
377.17648	1.3
391.19122	3.4
392.20007	1.8
405.20908	1.4
406.21652	2.7
407.22351	6.5
419.22766	1.4
421.24423	4.2
433.20383	2.0
434.20779	0.8
435.21820	7.9
447.18137	2.4
448.18033	1.3
449.18179	0.7
449.23642	5.5
450.24469	1.6
460.18289	0.8
461.19751	1.9
462.19907	3.9
463.21191	10.3
475.21130	2.2
476.21548	6.6
477.22867	12.9
478.23587	3.6
503.24518	0.9
517.52960	0.8
521.25098	0.8
535.23975	3.1
536.23682	3.4
547.26917	1.5
548.24268	1.0
549.25183	4.0
550.25159	0.9
563.26410	11.1
564.27057	13.1
579.28888	1.0
591.25732	6.9
594.26788	1.6
595.29034	2.4
605.27478	1.5
608.25873	2.0
623.28546	100.0
624.28455	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	622.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	53.8
57.03427	9.0
57.07063	17.9
59.05018	6.1
65.03941	6.1
67.05186	6.3
67.05508	91.9
68.05833	9.0
69.03429	9.3
69.07072	33.9
69.29362	45.0
71.04990	10.0
71.08618	8.9
76.19978	4.9
79.05497	76.2
81.03406	17.3
81.07058	81.4
83.04966	18.9
83.08627	38.0
85.06533	5.2
85.10164	25.7
91.05484	59.7
92.05804	8.0
93.07053	63.7
95.04966	40.7
95.08618	56.3
97.06536	12.5
97.10168	13.9
97.12447	4.8
99.08101	11.7
105.07030	59.7
107.04955	25.6
107.08611	46.7
109.06509	13.3
109.10153	26.4
111.04393	4.9
113.09650	31.3
117.07029	19.8
118.07416	5.8
119.08580	43.8
121.06494	9.0
121.10139	24.3
122.99899	5.8
123.08075	14.9
123.11754	7.5
125.09627	13.3
129.07010	9.4
131.08565	30.1
133.10118	35.2
135.08049	9.1
135.11694	11.4
143.08575	7.5
145.06354	6.0
145.10115	27.5
147.11659	13.8
149.09599	23.4
149.13255	12.5
151.11232	10.2
155.08492	6.5
157.10172	9.6
159.11649	17.1
160.12019	5.3
161.09680	6.5
163.11189	29.6
165.12773	36.0
168.52995	5.1
169.09918	5.1
171.11700	10.0
175.14769	5.3
189.11203	8.8
223.13277	12.8
247.20619	5.9
257.18954	7.6
265.47678	5.0
273.18527	6.4
275.20038	66.8
276.20486	15.3
277.21564	44.9
279.23102	7.2
289.17267	4.7
291.19376	15.8
293.21054	35.2
294.21472	14.7
295.22733	43.3
352.73364	5.3
372.14511	5.6
403.71414	4.8
413.26581	5.1
447.21960	6.5
475.20761	14.5
524.40100	11.6
531.54175	5.7
534.25610	15.6
562.25421	24.0
622.27563	100.0
622.37231	11.0
623.28119	13.8
623.39026	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01873	4.2
55.05523	21.6
55.06076	2.1
57.03439	2.5
57.07092	18.8
65.03951	2.3
67.05511	26.1
69.07080	12.7
69.28199	18.0
71.08641	2.5
79.05505	24.3
81.03412	8.3
81.07059	31.8
83.04986	10.3
83.08623	16.5
85.02894	2.5
85.10191	30.2
91.05488	29.4
93.07063	21.8
95.04976	29.0
95.08629	24.1
97.06552	5.7
97.10178	8.4
105.07031	23.0
107.04967	13.8
107.08585	16.1
109.06538	6.6
109.10178	10.0
111.08122	5.8
113.06052	2.4
113.09654	35.7
117.07030	9.5
119.08591	19.6
121.06500	5.1
121.10148	12.8
123.08091	5.6
125.09619	7.1
129.07030	4.8
131.08592	11.4
133.10158	14.2
135.11691	9.2
137.09619	3.8
143.08568	2.6
145.10156	17.1
147.08044	2.7
147.11711	14.8
149.09659	20.4
149.13292	4.6
151.11162	5.0
155.01036	2.7
155.08548	2.9
157.10123	2.9
159.11761	5.8
161.13266	5.4
163.11198	23.6
164.28249	2.3
165.12776	35.1
171.11659	4.0
173.09642	5.0
175.11125	4.9
185.13300	2.6
189.11230	4.0
207.13918	3.6
223.13312	20.8
239.18030	4.2
257.18991	9.7
259.20547	4.4
275.20087	62.1
277.21674	52.8
293.21170	45.2
295.22726	100.0
382.00082	2.4
415.51068	2.6
457.20288	2.6
459.21591	2.4
470.95621	2.3
475.21130	4.4
476.21893	4.0
524.40149	7.5
534.25946	3.9
545.25244	6.3
545.62744	2.4
562.25250	9.6
563.26672	4.1
605.27679	2.9
622.27429	35.1
623.28314	19.2
623.37988	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	622.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.1
55.05440	0.3
65.14153	0.1
67.05391	0.6
69.06981	0.2
69.16733	1.0
69.17147	0.2
72.34206	0.1
79.05374	0.5
80.13142	0.1
81.06929	0.7
81.07462	0.2
83.04862	0.1
83.08530	0.2
91.05352	0.5
91.57747	0.1
93.06911	0.7
95.04892	0.2
95.08469	0.4
95.09059	0.1
97.06441	0.2
97.10090	0.2
105.06888	0.5
107.04851	0.2
107.08450	0.3
109.10082	0.2
115.84788	0.1
117.06895	0.2
119.08423	0.4
120.07967	0.1
121.10046	0.1
131.08466	0.3
133.10001	0.4
134.10362	0.2
135.11661	0.1
145.09966	0.3
147.11528	0.3
149.09509	0.2
151.11084	0.1
161.13051	0.1
163.11005	0.2
173.13211	0.1
175.11034	0.1
195.09058	0.1
195.13623	0.2
197.10658	0.2
203.55495	0.1
207.08969	0.1
208.09543	0.1
209.10506	0.2
221.10593	0.3
222.10870	0.1
233.10632	0.2
239.17796	0.1
247.12070	0.1
248.12386	0.1
250.10519	0.1
251.11609	0.2
257.19025	0.1
275.20102	0.9
276.20328	0.2
277.21313	0.5
285.12238	0.2
286.13211	0.2
293.21063	0.2
295.22412	0.2
297.12012	0.1
300.14639	0.2
311.13702	0.1
313.15176	0.2
325.15201	0.1
338.15921	0.2
354.15921	0.2
360.14175	0.2
361.15161	0.2
373.15012	0.2
374.15237	0.3
375.15533	0.6
376.16669	0.9
377.17722	0.2
387.16180	0.4
388.16611	1.0
389.17447	1.7
390.17984	2.9
391.18893	1.4
392.20026	0.6
393.20410	0.1
400.16321	0.3
401.17569	0.5
402.18781	0.9
403.14911	0.5
403.19409	2.2
404.19836	3.6
405.15906	0.1
405.20490	2.2
406.21100	2.2
415.14923	0.2
415.19608	0.2
416.15808	0.5
416.19745	0.6
417.15842	1.7
417.20764	0.9
418.16379	2.9
418.21365	2.0
419.17798	0.7
419.22607	2.4
420.22797	5.2
421.23523	0.7
428.19766	0.2
429.21301	0.2
430.16702	0.6
430.22144	0.2
431.17746	2.3
432.18362	5.3
433.19418	2.7
434.20444	2.1
443.18137	0.4
444.19162	0.6
445.20065	1.6
446.20432	6.3
447.21432	7.5
448.22101	8.2
449.23074	0.7
457.20203	0.2
458.20398	0.4
459.21579	0.8
460.17264	0.5
460.22028	2.3
461.19116	0.7
461.23215	0.6
462.19641	1.2
463.20612	0.3
464.21396	0.4
473.19492	0.5
474.19040	1.9
475.20801	6.7
476.21606	6.7
477.22031	0.5
478.23047	0.5
479.23907	0.4
487.20993	0.6
488.21677	3.0
489.22321	0.9
490.23041	0.3
491.20294	0.3
492.20035	1.3
493.25180	0.3
501.22925	0.4
502.23380	1.6
503.23535	0.3
504.21603	0.4
505.21902	0.3
506.22235	0.5
506.26208	1.0
507.23572	0.4
518.22607	0.3
519.23901	0.6
520.19806	0.7
530.22595	0.7
532.22760	0.1
533.25659	1.4
534.25861	13.3
535.26624	0.6
547.23407	0.5
548.23883	0.3
561.24908	1.1
562.25281	20.6
563.25952	1.2
566.28119	0.3
590.24719	1.0
594.27887	4.4
622.27380	100.0
623.27814	7.4
623.38440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63178	0.7
57.07088	0.8
65.13910	0.7
69.84941	3.9
89.06030	0.7
96.82632	0.7
120.08179	0.8
125.00095	0.8
210.11467	0.9
221.07555	0.9
221.10664	0.9
223.12329	1.0
225.13841	0.9
239.97946	0.7
325.84247	0.8
387.16714	0.9
388.16946	1.1
400.15399	0.8
403.15530	1.7
405.21179	0.9
417.17157	3.2
418.17633	1.9
419.18283	1.3
419.23181	0.9
425.78687	0.8
431.18930	1.5
432.19879	1.0
433.20343	1.6
445.16797	2.4
446.17316	2.7
447.17834	4.2
447.22220	4.5
448.18390	1.5
457.20248	0.8
459.17810	1.6
460.18991	2.4
461.19412	6.1
462.20551	4.1
473.19873	1.6
474.20859	1.2
475.21234	21.0
476.22144	7.6
477.23193	7.1
479.23996	0.9
489.22998	2.8
503.20245	4.7
517.22253	1.2
519.23480	1.6
521.22284	2.3
533.22284	1.5
534.26691	1.8
535.23090	13.5
536.24493	2.5
547.23486	3.2
548.24152	1.7
549.25171	2.0
562.25580	9.6
563.26532	15.9
579.25964	1.6
590.24805	7.0
593.24664	4.9
594.28571	5.5
605.27856	2.2
607.25769	6.0
622.27838	100.0
623.28485	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	622.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.4
69.07067	1.0
69.72551	0.9
70.94705	1.0
71.49347	1.5
73.84303	0.9
81.03415	1.0
81.07063	1.7
91.05492	1.6
93.07056	2.3
95.08591	0.9
105.07028	1.7
106.52299	0.9
117.07035	0.9
119.08566	1.3
140.10701	0.9
177.47075	0.9
207.09171	1.1
209.10683	1.4
223.12309	2.5
225.10182	1.3
233.10796	1.1
235.08598	1.1
249.13931	1.5
251.08205	1.2
251.15593	1.1
265.13269	0.9
273.18372	1.0
277.13531	1.0
286.10553	1.1
291.19647	1.4
321.54855	1.0
360.14005	1.2
382.57257	1.3
389.17758	2.6
403.15204	1.9
403.19949	1.3
405.21033	2.0
417.17188	3.7
418.18060	2.9
419.18521	2.6
431.18863	1.4
432.19955	2.3
433.20120	3.6
445.16617	2.1
446.16937	2.7
447.17969	5.2
447.22293	4.7
459.18066	2.6
460.18985	2.5
461.19412	10.1
462.20453	6.7
463.21545	2.0
474.20386	1.7
475.21411	22.8
476.21951	10.3
477.22885	9.9
488.21957	1.4
489.22757	2.9
503.20218	5.1
507.24457	1.4
519.23926	2.2
520.22620	1.2
532.22089	1.2
534.25977	1.5
535.23169	15.2
536.24646	3.1
547.23480	3.7
548.24750	1.4
549.25104	3.1
562.25555	8.7
563.26569	18.6
579.26294	2.1
590.25049	4.7
593.26379	4.1
594.28400	5.5
607.25549	5.9
622.27863	100.0
623.28717	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	621.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88543	2.8
52.91310	2.5
53.03940	4.0
55.01863	10.6
55.05510	17.0
57.03442	22.2
57.07083	24.0
65.03926	4.4
67.05145	3.3
67.05506	66.0
69.07079	17.8
69.40807	2.6
71.05006	2.9
71.08627	20.0
79.05498	32.8
81.07055	44.5
83.08626	10.2
83.90184	2.6
85.06532	10.7
85.10181	11.3
91.05491	27.3
93.07052	27.7
95.04977	55.9
95.08601	26.1
97.06543	8.2
97.10146	3.9
105.07033	25.1
106.63679	2.8
107.04958	12.5
107.08611	26.4
109.06521	61.1
109.10143	12.2
111.08095	3.4
113.06020	29.8
117.07016	7.6
119.08595	11.3
121.06506	6.9
121.10139	8.5
123.08105	3.3
128.06232	3.5
129.07007	9.1
131.08571	17.0
133.06532	3.5
133.10138	9.6
135.08055	47.6
135.11703	5.3
143.08559	12.5
145.10144	9.8
147.08060	8.2
147.11684	5.9
149.09608	8.4
151.11224	3.2
157.10152	6.4
159.08025	3.9
159.11650	5.5
161.09575	6.3
161.13281	3.0
173.13249	3.0
201.12804	4.7
217.15897	18.8
227.17975	3.5
253.14479	3.5
253.45598	3.0
255.17467	4.3
273.18512	43.1
291.19550	100.0
313.27405	53.8
347.22141	9.4
365.23187	11.0
447.21732	3.1
561.24707	6.4
585.45013	8.0
589.24426	3.1
594.86151	3.1
603.46179	33.0
621.27179	25.0
622.28088	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	621.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.01869	5.5
55.05516	21.4
57.03426	8.5
57.07078	41.4
65.03942	3.4
67.05234	3.1
67.05511	33.4
68.67769	3.3
69.07049	15.0
71.08640	26.0
71.87882	2.6
79.05489	27.4
80.05816	4.4
81.03413	35.3
81.07059	48.9
82.07365	3.7
83.04994	6.4
83.08608	20.5
85.02900	11.5
85.10176	12.8
91.05486	28.8
93.07044	22.1
95.04975	22.7
95.08607	30.6
97.06543	5.8
97.10181	11.2
98.21595	7.8
98.98429	7.5
99.08070	4.1
105.07049	24.5
106.07375	4.1
107.04951	10.5
107.08591	13.0
108.05311	3.4
109.06510	7.4
109.10166	17.6
111.08095	7.4
119.08551	16.4
120.08901	4.7
121.10136	8.5
123.08070	6.7
123.11749	5.2
129.06998	8.1
131.08578	7.0
133.10126	12.9
135.11699	4.9
145.10117	4.6
147.11693	8.7
149.09546	5.2
151.11172	5.5
155.01067	10.3
157.10184	6.4
163.11176	3.4
175.11263	6.6
189.11230	4.3
193.12222	24.3
211.13280	26.0
239.23550	5.6
247.54318	2.9
261.50275	3.1
267.15897	7.0
275.20059	10.2
276.20398	10.3
285.16931	5.4
291.19501	5.6
292.19748	3.7
293.20227	4.2
313.27332	11.3
403.19308	7.4
417.16382	3.9
419.22021	4.1
431.18442	5.4
433.20026	4.1
445.20300	4.2
446.20938	5.9
447.21539	4.8
475.21442	5.9
505.38815	17.2
523.39941	100.0
533.25299	10.2
561.24976	21.4
593.27588	4.0
621.27155	80.6
622.26294	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	621.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02422	1.0
53.02678	1.0
53.03950	6.6
55.01876	6.7
55.05515	20.9
57.03437	10.1
65.03951	2.4
67.05508	29.3
69.03420	13.5
69.07079	5.9
71.01347	1.1
71.04998	6.5
72.74178	1.1
77.03973	1.0
79.05496	29.8
79.11270	1.0
81.03423	100.0
81.07058	30.0
83.04978	16.5
83.08619	20.8
85.02909	20.3
85.06559	3.1
91.04909	2.1
91.05483	36.2
93.06470	2.2
93.07041	20.9
95.01329	1.2
95.04971	30.7
95.08610	10.6
97.02898	17.7
97.06528	5.0
97.10181	8.0
99.04459	3.7
99.08084	1.7
103.05500	1.7
105.04525	1.9
105.07037	28.0
107.04969	13.3
107.08598	11.4
109.02882	25.0
109.06522	6.8
109.10151	4.5
111.04451	11.6
111.08083	8.7
113.06059	2.1
115.05473	3.6
117.07024	7.6
119.04933	3.7
119.08588	19.4
121.06509	5.7
121.10152	9.2
123.04428	5.0
123.08065	3.4
123.11701	2.3
125.02357	4.2
125.09612	5.6
127.03903	7.4
128.06215	2.3
129.07010	14.2
131.04939	4.0
131.08580	15.7
131.16109	0.9
133.06543	5.1
133.10138	11.6
135.04384	1.6
135.08070	3.6
135.11728	3.2
137.05931	2.4
137.09618	1.7
142.07825	3.1
143.08583	3.0
145.06537	5.3
145.10132	6.0
147.04430	4.4
147.08061	5.1
147.11705	16.3
149.06007	3.1
149.09645	7.7
151.07474	1.0
153.09116	1.3
153.12761	1.1
155.08597	3.4
157.06488	2.0
157.10127	13.5
159.08083	2.8
159.11678	1.7
161.05995	3.0
161.09677	1.5
161.13329	1.3
163.04019	1.2
163.11150	7.0
165.12782	3.9
167.08565	1.9
169.10190	1.7
171.08046	3.1
171.10281	1.5
171.11748	2.9
173.04494	6.6
173.05972	1.8
173.09633	2.2
175.07536	1.3
175.11168	10.9
177.12717	1.2
181.12231	2.4
183.11700	1.4
189.05490	1.6
189.09279	1.3
189.11224	2.7
189.12811	1.2
191.10748	3.6
193.12247	36.1
195.11784	1.3
197.93373	1.1
203.12418	1.1
207.08086	1.2
211.13287	46.5
217.12251	1.1
223.13292	2.2
227.12808	4.0
229.14481	1.3
231.13873	1.7
235.13347	2.1
247.13574	1.2
249.14853	2.0
255.13863	3.2
259.13431	1.8
261.14975	1.3
267.16003	10.0
271.13138	1.2
273.14825	8.6
277.14352	2.3
283.13190	2.0
285.17145	6.9
289.14389	1.7
291.15884	1.8
301.14319	12.7
305.29892	1.1
319.15494	6.5
337.16537	4.7
355.17709	2.9
367.22623	2.1
375.18164	5.0
385.23816	3.7
393.19144	5.6
393.23746	1.1
403.24884	2.5
411.20132	3.0
421.25726	1.5
459.27563	4.0
477.28607	6.6
495.29633	6.7
501.28427	1.3
529.28107	1.6
539.30450	1.4
543.29364	1.5
567.29602	2.5
573.30853	1.9
585.30634	6.1
603.31671	9.9
621.32684	55.0
622.32648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03943	9.4
55.01875	8.1
55.05516	21.0
57.03437	8.4
57.37695	1.2
65.03947	2.5
66.79881	1.0
67.05508	30.7
69.03424	12.4
69.07053	6.3
71.01369	1.5
71.04985	5.3
79.05494	36.1
81.03423	100.0
81.07053	35.4
83.04985	17.7
83.08623	20.2
85.02912	17.5
85.06542	2.0
88.47985	0.9
91.04909	2.0
91.05485	42.4
93.07047	26.2
95.04970	33.5
95.08607	13.9
97.02895	13.4
97.06528	6.2
97.10180	7.4
99.04474	3.7
99.08036	1.3
103.05439	2.2
105.03435	1.4
105.07033	30.7
107.04977	14.6
107.08603	12.4
109.02886	22.1
109.06512	6.0
109.10166	4.6
111.04452	10.2
111.08079	8.1
115.05460	4.9
117.07024	9.4
119.04942	3.9
119.08585	22.0
121.06506	7.7
121.10135	10.2
123.04427	6.6
123.08089	4.3
123.11695	3.3
125.02392	2.2
125.09635	5.3
127.03934	10.3
128.06218	2.6
129.07008	13.4
131.04933	2.9
131.08571	15.0
133.06549	5.7
133.10126	11.3
135.04462	1.4
135.08057	4.0
135.11720	4.7
137.06001	3.9
137.09590	2.6
141.07011	2.8
142.07793	3.2
143.08554	2.6
145.06516	6.3
145.10106	7.0
147.04417	3.0
147.08046	6.2
147.11699	16.2
149.06039	2.0
149.09639	7.7
151.03937	1.4
151.07506	1.3
151.11311	1.3
153.06999	1.3
153.12750	1.6
155.08572	2.6
157.06540	2.5
157.10146	14.5
159.08080	3.3
159.11685	2.1
161.06035	3.5
161.09674	1.9
163.11162	5.9
165.05487	1.6
165.06912	1.7
165.12761	5.9
169.10135	1.6
170.90303	1.1
171.08058	2.6
171.11711	2.7
173.04463	4.0
173.06032	4.2
173.09666	2.9
175.07652	2.0
175.11177	13.5
177.12805	1.7
181.06468	1.4
181.10104	1.3
181.12276	3.2
183.06476	1.3
185.09766	1.8
187.07613	1.3
187.11208	1.1
189.05507	3.9
189.09254	1.4
189.11223	2.2
189.12732	1.9
191.10736	3.5
193.12253	36.4
195.13730	1.3
197.06062	2.8
197.09645	1.2
199.07689	1.6
201.96777	1.1
205.12254	1.7
211.07701	1.4
211.13295	36.3
213.05510	2.0
213.09238	1.3
213.12877	1.7
217.04994	2.8
217.12308	1.7
219.13849	1.3
223.13242	1.3
225.05533	3.1
227.07132	3.4
227.12865	4.8
231.13739	1.2
235.13438	3.3
242.77538	1.2
247.13492	1.8
249.14963	3.0
255.13840	1.8
259.13300	1.5
267.15994	11.1
268.00470	1.3
273.14911	7.0
277.14453	1.8
281.15488	1.2
285.17178	5.8
301.14343	9.7
319.15475	7.0
337.16547	4.7
339.56326	1.5
343.09421	1.9
345.42883	1.1
355.18146	1.1
357.24350	1.7
367.22623	1.9
375.18164	3.2
385.16379	1.3
385.23865	3.8
393.19250	4.9
403.24814	2.7
411.18741	1.7
429.18936	1.6
446.06897	1.2
459.27179	6.7
477.28577	6.3
495.29837	3.0
511.26974	1.8
529.27570	1.9
567.29669	2.2
573.30603	1.6
585.30243	5.8
603.30963	8.6
621.32599	54.6
622.32648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.9
55.01671	1.4
55.01876	13.6
55.05514	30.5
57.03440	8.7
57.07066	2.2
59.05009	2.3
61.54365	1.4
62.95106	1.2
65.03945	4.7
67.05509	57.1
69.03098	1.6
69.03429	17.8
69.06732	1.9
69.07072	13.9
71.01342	2.8
71.04993	12.1
71.22805	3.3
79.05495	50.9
81.03422	92.7
81.07057	62.7
83.01337	7.3
83.04986	26.0
83.08627	17.4
85.02903	12.9
85.06551	2.9
91.05486	43.1
93.07050	53.1
93.07643	2.6
95.04976	19.1
95.08614	23.0
97.02892	19.6
97.06537	11.1
97.10179	4.9
99.04468	8.1
103.05457	2.7
105.04534	1.7
105.07029	25.1
107.04967	14.9
107.08591	31.5
109.02878	18.6
109.06535	9.0
109.10175	6.2
111.04442	15.3
111.08109	7.0
113.05999	1.8
115.05486	2.1
117.07022	14.8
119.05026	2.0
119.06073	1.7
119.08579	16.5
121.06512	9.5
121.10139	14.4
123.04462	4.4
123.08039	6.5
123.11719	3.3
125.06022	2.2
125.09658	4.5
127.03928	14.4
127.07545	1.4
128.01805	1.4
128.06262	1.6
129.07013	7.3
131.08551	15.3
133.06511	4.9
133.10124	8.8
135.04462	2.5
135.08040	8.3
135.11690	15.4
137.09558	1.5
141.07051	2.3
143.08577	2.7
145.06511	4.0
145.10124	14.6
147.04370	1.8
147.08044	4.3
147.11691	9.4
149.05954	1.6
149.09634	3.6
149.13261	11.3
151.11221	1.7
153.12772	9.3
153.13876	2.1
154.07732	1.6
155.08617	4.9
157.06512	1.6
157.10172	4.7
159.08066	1.8
159.11760	8.5
161.06042	1.6
161.09622	1.3
163.11195	20.1
165.12799	3.2
169.10271	2.0
171.11769	1.5
173.04494	5.1
173.09637	2.8
175.11241	3.5
177.12753	4.9
181.10107	2.1
181.12244	7.9
183.06557	3.4
183.11794	1.5
185.09647	2.2
185.13194	1.5
187.14749	1.7
189.09155	1.6
189.11234	1.9
191.10690	5.2
193.12291	6.7
195.13814	9.6
209.11772	7.4
211.13281	6.8
213.12878	1.9
213.14757	2.5
219.13710	2.0
227.12717	15.3
229.14297	2.3
233.15414	2.0
247.13297	1.5
249.14935	3.1
257.15482	1.6
261.14905	1.9
265.14328	1.8
267.16010	3.8
269.17563	2.6
273.14896	2.9
283.15433	8.8
285.17255	1.6
303.15955	2.7
303.40094	1.4
316.17966	1.5
321.17108	3.8
339.18018	8.7
353.15808	6.9
367.22665	2.2
377.19614	1.7
385.23770	3.1
395.20792	6.7
409.18631	3.0
459.27487	5.6
462.36957	1.4
477.28641	11.0
547.29254	2.1
551.20734	1.4
585.30078	1.7
603.31610	7.4
621.32690	100.0
622.33130	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.1
51.27196	1.6
53.03945	12.6
54.83689	1.9
55.01878	13.7
55.05516	31.2
57.03438	12.4
57.07055	2.6
59.05000	2.3
60.65833	1.6
65.03948	4.7
67.05508	55.0
67.07876	1.5
69.03419	23.7
69.07079	15.7
71.01353	2.8
71.04990	8.6
71.50101	2.3
77.03902	1.7
79.05498	45.9
81.03421	99.8
81.07058	67.0
83.01347	5.3
83.04981	25.7
83.08624	17.3
85.02913	12.1
85.06551	4.3
87.04540	1.7
91.05486	42.8
91.06033	3.1
93.07045	60.0
95.04967	19.8
95.08597	22.0
97.02901	16.8
97.06533	14.8
97.10189	6.5
99.04465	7.2
105.04517	2.5
105.07033	26.0
107.04970	16.7
107.08601	30.0
109.02879	17.5
109.06507	10.2
109.10169	7.4
111.04463	14.2
111.08099	5.8
115.05468	2.4
117.07016	18.5
119.08602	13.9
121.06525	9.8
121.10154	15.8
123.04472	4.1
123.08089	6.3
123.11697	3.3
125.09678	2.9
127.03942	11.3
129.07005	7.2
131.04912	3.2
131.08577	12.2
133.06540	3.6
133.10106	10.8
135.08060	5.0
135.11673	17.5
137.09665	2.2
141.06943	1.7
143.08566	4.1
145.06516	4.4
145.10152	20.1
147.04477	1.9
147.08080	5.3
147.11694	9.4
149.05989	1.9
149.09644	3.3
149.13290	15.2
153.12775	10.0
155.08511	2.1
157.10133	4.7
159.08102	3.1
159.11688	9.5
161.06015	1.9
161.09619	3.2
163.11176	21.6
165.12773	3.8
171.11771	3.2
173.04475	9.4
173.09633	2.6
175.11221	4.3
177.12802	6.1
181.10246	1.6
181.12286	5.6
183.06532	2.4
191.10756	5.1
193.04810	1.8
193.12297	3.3
195.12105	1.6
195.13770	8.4
201.12657	2.0
203.14334	1.8
209.11671	11.8
211.13324	2.5
213.12933	2.1
213.14932	3.0
226.03549	1.8
227.12819	15.1
233.15506	1.8
249.15073	2.2
251.16370	1.8
257.15332	1.9
257.24127	2.0
259.43149	2.0
261.14920	2.4
267.15970	2.8
269.17627	5.1
283.15530	6.9
303.16040	2.1
307.15402	2.3
321.16916	3.7
335.14966	2.5
339.17963	10.1
353.15994	6.7
395.20752	6.3
409.18683	3.4
459.27490	6.2
464.32654	1.8
477.28455	11.5
603.31470	8.5
621.32739	100.0
622.33075	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.0
55.01880	11.2
55.05514	28.2
57.03432	7.2
57.07074	1.7
59.05013	2.0
65.03947	4.5
67.05508	47.6
69.03426	21.4
69.07079	15.1
70.74353	3.0
71.01350	2.8
71.05003	10.5
73.02911	3.7
77.03926	1.9
79.05498	50.1
79.56453	1.6
81.03425	89.1
81.06592	3.8
81.07060	56.3
83.01338	5.5
83.04987	22.5
83.08620	15.9
85.02911	11.8
85.06551	5.0
91.05486	42.6
91.06029	3.1
93.07049	46.5
95.04965	17.7
95.08619	23.5
97.02901	18.9
97.06542	9.0
97.10188	5.0
99.04470	8.1
99.08128	1.9
105.07045	23.6
107.04974	11.3
107.08600	28.1
109.02879	19.9
109.06535	6.5
109.10180	4.6
111.04449	16.3
111.08094	5.3
115.05464	3.8
117.07044	14.2
119.04886	1.9
119.08611	15.2
121.06545	5.3
121.10150	14.8
123.04449	3.6
123.08056	8.0
123.11736	4.5
125.06012	2.6
125.09650	4.6
127.03909	11.5
129.05478	1.6
129.07019	6.6
131.04961	2.2
131.08566	11.9
133.06519	3.2
133.10159	11.8
135.08119	2.8
135.11697	11.8
137.05980	2.3
141.07019	1.8
143.08577	4.8
145.06485	4.0
145.10136	13.2
147.08054	3.7
147.11711	11.3
149.09631	3.7
149.12254	2.1
149.13249	10.5
151.11139	2.3
153.09213	2.2
153.12732	10.1
155.08539	3.8
157.10117	3.0
159.11742	6.1
161.06007	1.9
163.11185	20.2
165.05421	1.6
165.12804	3.9
169.10156	1.7
169.57843	1.5
171.08063	1.8
173.04485	4.0
173.05939	2.5
173.09610	3.0
175.11240	2.4
177.12801	5.1
181.12289	7.9
183.06667	1.8
184.61378	1.7
191.10735	5.7
193.12291	3.3
195.13812	11.4
209.11728	9.5
213.14839	2.1
227.12825	10.5
261.14917	2.2
267.16074	5.4
269.17548	2.3
273.14825	1.9
275.16626	2.3
280.56436	1.7
283.15555	9.3
303.15903	2.5
321.16791	4.0
339.18094	11.0
353.16379	3.1
375.48288	1.7
395.20706	10.3
459.27469	5.0
477.28409	10.2
493.27917	2.4
547.29327	3.0
603.31921	2.8
621.32721	100.0
622.33075	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	621.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00096	1.1
53.03959	7.1
53.04177	1.5
55.01884	9.2
55.05279	1.3
55.05523	17.3
57.03430	5.9
65.03941	2.8
65.41863	1.3
67.05181	2.4
67.05512	27.3
69.03380	8.1
69.07079	8.2
71.01366	1.2
71.04998	3.9
71.10855	2.3
77.03889	1.4
79.05496	31.5
81.03426	41.2
81.07063	22.8
83.04994	7.9
83.08636	9.2
85.02928	5.4
85.06557	2.3
91.05491	30.8
93.07062	16.1
95.04981	20.4
95.08622	15.9
97.02901	5.6
97.06532	3.7
97.10168	5.1
99.04436	2.2
100.45981	1.8
103.05467	2.6
105.04511	2.2
105.07030	17.0
107.04964	21.6
107.08605	9.6
109.02885	5.1
109.06528	47.7
109.07283	2.7
109.10170	5.2
111.04480	4.6
111.08089	4.7
115.05487	5.3
117.07043	10.5
119.04918	1.5
119.08575	9.0
121.02842	1.4
121.06522	13.6
121.10204	4.0
123.04453	5.9
123.08089	5.4
123.11707	2.2
123.87572	1.5
125.02401	1.9
125.09661	3.8
127.03940	3.0
128.06242	2.2
129.06998	12.0
131.04956	5.6
131.08595	11.9
133.06496	5.9
133.10167	8.3
135.04514	2.0
135.08057	17.9
135.11711	1.9
137.05966	3.1
137.09645	1.9
141.07059	6.6
142.07779	1.7
143.04970	2.7
143.08662	3.5
145.06514	3.9
145.10136	7.0
147.04407	6.5
147.08043	5.2
147.11726	6.1
149.06036	1.7
149.09657	5.5
151.03954	5.2
153.07036	4.6
155.04929	1.8
155.08607	4.0
156.07614	1.4
157.06508	4.1
157.10168	6.6
159.04410	1.5
159.08076	2.5
161.05989	11.0
161.09662	2.6
163.03928	2.9
163.07608	1.5
163.11250	3.7
165.07039	2.7
165.12764	2.4
167.08621	2.7
169.06470	2.9
171.04442	3.9
171.08040	1.6
173.04567	2.2
173.06004	58.8
173.09689	2.7
173.13264	3.2
175.07495	1.9
175.11209	3.5
177.12715	1.9
179.08572	1.8
181.06490	8.0
181.10268	1.6
183.04398	1.3
183.08102	2.5
183.11734	1.7
185.06017	9.0
185.09659	1.5
187.03941	4.9
187.07541	7.7
189.05525	6.6
189.09216	1.4
189.11307	2.2
189.12764	1.6
191.10696	2.0
191.14339	9.8
193.06534	2.1
193.12256	13.0
195.08093	1.9
195.32890	1.3
197.05963	11.4
199.03902	9.3
199.07562	17.1
200.04474	2.4
201.05489	24.1
201.07211	1.7
201.09088	1.7
201.12772	4.3
205.12323	1.4
209.06055	1.8
209.09908	1.6
210.06654	1.6
211.07578	10.1
211.13295	4.7
213.05513	21.5
213.09137	5.7
215.07088	3.9
217.04987	100.0
217.12267	2.8
219.08127	2.0
219.13815	32.4
221.09634	3.2
223.07613	7.9
225.05545	19.9
225.09167	3.9
226.06227	2.7
227.03436	1.6
227.07066	12.1
227.10733	2.0
227.12857	2.8
229.05043	4.0
235.07747	2.1
237.09096	3.2
239.07004	8.7
239.10788	1.7
241.05092	3.1
245.11743	3.3
247.07564	2.4
249.05566	2.1
249.09233	2.5
251.07120	3.3
253.08554	3.0
255.14046	2.5
257.15540	1.6
261.09106	1.7
263.07193	2.8
263.10461	1.6
263.12811	9.2
265.08688	4.1
265.12344	3.5
267.13794	3.7
267.16241	6.2
273.12466	1.8
273.15057	3.4
275.10794	1.8
275.16504	1.8
277.08731	4.0
277.11996	1.8
281.15436	1.7
283.13403	4.3
285.17230	2.0
289.08966	1.5
291.13910	4.8
301.12051	2.8
309.14917	4.8
311.12820	18.4
313.14462	2.3
319.13028	4.7
319.15875	4.0
327.15991	3.4
329.13876	56.3
337.14273	28.5
339.16049	1.6
345.17303	1.5
355.15421	21.9
367.46457	1.7
373.16580	2.7
377.17569	3.6
385.16519	53.6
385.24072	3.2
393.17291	2.1
403.17627	3.8
411.17999	13.4
419.18402	1.5
429.19064	6.5
433.65955	1.3
459.27582	4.0
483.25607	1.8
501.26920	2.9
505.33200	1.4
511.24701	6.8
529.25934	21.0
547.26782	11.2
549.52045	1.4
557.29480	1.6
585.30365	3.5
603.29639	30.5
621.30902	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05505	0.7
59.40622	0.3
67.05513	1.6
67.59027	0.3
69.07071	0.4
69.49041	1.2
69.49467	1.1
70.33301	0.3
71.04996	0.3
72.83631	0.4
76.53499	0.3
79.05491	1.2
81.03424	1.0
81.07050	1.4
83.04998	0.5
83.08617	0.5
91.05489	1.4
93.07037	1.5
95.04967	0.8
95.08601	1.1
97.06507	0.4
98.21522	0.7
105.07031	1.0
107.04958	0.5
107.08560	0.5
109.10165	0.4
117.07004	0.4
117.38332	0.3
119.08585	1.0
121.10126	0.3
129.07059	0.4
131.08574	0.7
131.78712	0.4
133.10136	0.5
137.06026	0.4
149.09641	0.4
169.10194	0.3
185.09601	0.4
187.07324	0.3
201.16449	0.3
207.09262	0.4
251.11974	0.4
271.86517	0.3
273.18567	0.4
275.20059	0.5
291.19540	0.4
308.11960	0.3
324.15302	0.6
355.15421	0.6
373.14682	0.6
375.16174	1.0
376.16870	0.4
387.16238	1.0
388.16815	1.8
389.17587	3.6
390.18307	1.8
391.19244	0.7
401.17850	1.1
402.14087	0.6
402.18478	1.3
403.19391	4.9
404.20218	2.2
405.20877	2.6
415.19193	1.0
416.15408	1.9
416.20599	1.0
417.16138	3.9
417.21127	2.7
418.17853	1.2
418.22318	0.6
419.22385	7.5
420.23242	0.8
429.16837	0.6
430.17352	1.6
431.18158	7.8
431.23666	0.7
432.19135	3.0
433.20032	2.1
443.18521	0.6
444.19470	0.4
445.20221	6.8
446.20935	6.8
447.21851	10.6
459.22870	2.9
460.18427	0.5
461.19189	1.7
473.19083	1.2
473.23874	1.1
474.20337	6.0
475.14603	0.6
475.21231	8.6
478.23978	0.4
487.21463	3.6
488.22327	0.8
491.20822	1.2
501.22910	2.5
505.25967	0.9
518.22943	0.6
519.20239	0.7
529.22388	0.5
533.25507	15.8
534.25916	0.6
546.22540	0.6
561.24976	23.6
562.25317	0.9
565.28381	0.4
589.24432	1.0
593.27631	4.3
621.27075	100.0
622.27167	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.30330	0.2
52.09846	0.3
55.01871	0.3
55.05511	0.4
62.50944	0.2
67.05505	0.9
69.07048	0.4
70.89869	0.2
71.15151	0.5
75.77449	0.2
79.05497	0.5
80.79194	0.3
81.07069	0.9
83.08604	0.4
91.05480	0.8
93.07029	0.7
95.04974	0.4
95.08620	0.5
97.06529	0.3
105.07020	0.6
109.06577	0.3
109.10151	0.3
126.58521	0.3
133.10184	0.4
133.58286	0.3
191.71991	0.3
195.09236	0.3
235.08813	0.3
275.20047	0.4
291.19440	0.3
310.13321	0.3
324.14948	0.3
368.13766	0.3
373.14505	0.6
374.15894	0.5
375.16238	0.8
376.17203	0.6
387.16348	0.8
388.16953	1.3
389.17691	3.1
390.18320	1.7
391.19611	0.6
400.17294	0.3
401.17914	1.6
402.18732	1.8
403.15646	0.4
403.19479	4.0
404.20172	2.3
405.20743	2.2
413.17853	0.5
414.18655	0.5
415.14987	0.6
415.19336	1.0
416.15591	0.6
416.20120	1.1
417.17151	2.7
417.21170	2.0
418.17218	0.5
418.21835	1.1
419.22470	5.5
420.23026	1.1
429.21024	0.8
430.17188	1.5
431.17786	3.7
431.23013	1.7
432.19531	1.0
432.24130	0.3
433.20325	1.1
441.20892	0.3
443.18835	0.6
444.19815	0.5
445.20569	4.3
446.16312	0.3
446.21097	3.9
447.21890	6.9
449.20071	0.6
455.22815	0.3
459.18344	3.5
459.22961	0.9
460.18106	1.5
461.19705	2.8
463.21445	0.4
472.19107	0.3
473.19724	1.7
473.24664	0.4
474.20453	9.6
475.21313	14.9
476.21619	0.4
485.19858	0.4
487.21475	3.5
488.22116	1.3
490.23810	0.4
491.20227	0.3
501.22931	3.2
502.23434	0.4
503.20804	0.5
505.26389	1.7
518.23303	0.8
519.20679	1.1
529.22491	1.1
532.24377	0.4
533.25580	7.9
542.47968	0.3
546.22748	0.7
561.25006	32.9
562.25299	1.3
589.24731	1.8
593.27618	1.0
621.27112	100.0
622.27325	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56702	0.7
70.12354	3.5
82.00423	0.7
82.76168	0.9
98.20833	1.2
119.19633	0.7
295.60202	0.8
307.24017	0.7
313.22891	0.8
388.16949	2.2
389.17477	3.8
390.18845	2.2
391.19205	1.1
401.18039	2.0
402.18585	3.1
403.15161	0.9
403.19324	7.2
404.20071	4.0
405.20660	2.3
416.16104	1.6
417.16934	3.7
417.21872	4.5
418.21698	1.3
419.22476	12.0
420.23016	1.1
430.17963	2.4
431.17947	8.6
432.19498	3.2
433.20282	3.3
443.18665	1.4
445.20114	7.1
446.21072	6.0
447.21771	15.6
458.20901	1.2
459.17917	2.7
459.22769	1.9
460.18146	1.2
461.19745	1.4
473.19031	1.3
473.24026	1.4
474.20334	13.3
475.21310	20.9
475.27704	1.5
487.21280	7.1
488.21851	2.8
489.22928	1.0
491.20953	1.1
501.23062	3.3
502.23535	1.4
503.21469	1.1
505.25946	2.9
529.22260	1.4
533.25500	13.5
546.22571	1.2
561.24982	95.4
562.25378	4.9
589.24396	3.0
593.27313	4.3
621.27081	100.0
622.27509	5.3
643.17596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05512	0.4
61.97173	0.3
67.16740	0.3
69.90486	1.7
81.07101	0.6
96.03827	0.3
98.20875	0.4
109.20467	0.3
109.24603	0.3
126.74731	0.4
152.76686	0.4
275.20074	0.7
293.21317	0.6
294.21643	0.4
348.91232	0.3
373.14380	0.5
374.15457	0.6
375.16217	0.7
387.16168	0.7
388.17020	1.1
389.17685	2.9
390.18469	1.3
391.19193	0.8
401.17963	0.7
402.18729	1.1
403.14923	0.6
403.19495	4.1
404.20026	2.1
405.20755	2.4
405.25702	0.4
415.19598	1.0
416.16162	1.0
417.17123	2.5
417.21112	2.1
418.21954	1.0
419.22449	5.9
420.22916	0.6
430.17761	0.9
431.18243	5.7
431.23618	0.7
432.19077	2.6
433.20135	2.6
444.19766	0.6
445.20236	5.6
446.21027	7.9
447.21814	10.1
448.22287	1.0
457.19913	0.4
459.21844	2.7
460.18350	0.8
461.19809	1.4
473.19586	1.3
473.24429	0.6
474.20401	6.5
475.21286	8.7
476.21725	0.5
487.21463	4.1
488.21844	0.9
491.20947	1.2
501.23029	2.5
505.25693	1.4
518.23438	1.0
519.20447	0.7
529.22772	0.6
533.25586	14.3
534.25195	0.8
546.22760	0.5
561.25043	22.6
562.25592	1.0
589.24420	1.2
593.27686	4.0
621.27130	100.0
622.27380	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	14.7
55.01867	14.4
55.05515	46.3
57.03430	7.7
57.07069	7.6
65.03938	6.0
67.05508	71.2
69.03417	4.7
69.07077	31.8
70.41150	4.1
71.04979	8.7
71.08614	6.4
78.75826	4.0
79.05492	62.1
81.03410	13.8
81.06599	6.2
81.07056	80.1
83.04963	19.4
83.08619	40.0
85.26279	4.5
87.04433	4.3
88.91354	5.1
91.05479	64.1
93.07043	62.6
95.04961	42.9
95.08603	46.0
96.05261	4.9
97.06517	19.4
97.10152	19.1
98.09690	5.0
99.08131	4.9
103.05396	4.1
105.07033	67.1
106.07407	7.0
107.04922	14.6
107.08593	34.3
108.05291	3.8
109.06492	10.5
109.10151	25.8
110.10476	5.9
110.31358	4.3
111.08064	11.8
117.06985	22.7
119.08574	59.6
121.06475	11.9
121.10121	27.7
123.08061	6.7
123.11663	6.4
125.09636	12.2
129.07027	8.8
131.08569	32.5
133.10120	45.6
134.10432	4.3
135.08060	9.6
135.11674	18.0
137.09639	7.2
139.11209	6.4
143.08566	11.5
145.10126	35.8
147.08075	5.4
147.11688	25.9
149.09653	26.4
151.11162	13.8
157.10121	11.0
159.11702	24.2
161.09647	5.7
161.13277	10.4
163.11220	36.2
165.12744	12.6
169.10144	6.2
173.09622	5.8
173.13246	10.1
175.11226	5.0
177.12750	10.9
183.11674	5.4
189.12767	7.0
195.13840	5.6
211.13161	5.6
213.16359	5.1
223.13271	17.0
229.19499	9.2
239.17879	10.5
257.18933	12.0
273.18719	4.4
275.20056	100.0
276.20410	15.6
277.21539	18.1
289.18015	5.6
291.19489	16.4
293.21106	63.6
294.21262	5.0
295.22461	10.0
561.24597	11.8
621.26727	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	620.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01863	6.6
55.05272	2.2
55.05513	30.0
67.05505	28.2
69.03429	2.4
69.07069	14.6
69.58794	10.2
71.05013	1.7
79.05076	2.2
79.05501	25.0
80.13208	1.3
81.03423	7.4
81.07056	26.5
83.04989	5.0
83.08620	23.8
85.47141	1.3
88.44205	1.4
91.05488	28.8
93.07053	27.1
95.04981	20.3
95.08611	17.7
97.06532	5.9
97.10159	14.6
105.07040	25.2
107.04950	13.7
107.08597	24.7
109.06514	6.2
109.10165	8.9
111.08092	3.4
117.07024	11.6
119.08596	24.4
121.06498	4.4
121.10144	12.1
123.08077	4.3
125.09591	9.2
129.07036	3.4
131.08536	10.3
133.10136	17.2
135.08043	5.2
135.11694	5.7
137.09595	3.5
143.08540	3.4
145.10143	16.5
147.08043	2.8
147.11690	14.2
149.09624	18.4
149.13252	2.6
151.11255	2.4
153.91797	1.6
155.08516	2.5
157.10121	4.3
159.11638	9.2
161.09622	2.8
161.13269	4.5
163.11192	24.1
165.12773	3.3
165.70097	1.4
169.10114	2.6
171.11699	4.5
173.09634	3.3
173.13304	4.5
177.12677	3.2
183.11623	2.8
185.13310	1.9
189.11290	7.3
197.13237	4.1
223.13283	12.9
229.19637	3.0
239.17986	8.4
247.20651	1.9
249.14938	3.1
257.18982	12.2
273.18863	1.5
275.20078	100.0
291.19684	2.0
293.21115	43.3
344.79633	1.4
586.35419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01873	21.1
55.05514	64.5
57.03432	7.0
57.07065	14.6
65.03952	6.1
67.05505	77.1
69.03422	7.0
69.07081	25.2
69.84010	18.2
71.04978	8.0
71.08615	7.4
79.05496	66.5
79.96890	3.2
81.03397	13.5
81.03834	3.7
81.06607	6.3
81.07059	100.0
82.07383	3.6
83.04990	19.5
83.08630	41.1
85.06531	5.3
85.10159	12.7
91.05479	45.9
93.07043	56.5
94.04148	3.7
95.04973	56.6
95.08058	5.2
95.08612	48.4
96.08917	5.0
97.02843	7.8
97.06519	15.0
97.10174	31.9
98.20849	4.6
99.08073	4.9
103.05474	4.0
105.07037	43.5
107.04952	27.7
107.08601	46.4
109.06523	17.8
109.10162	27.2
111.04430	9.8
111.08057	10.6
113.09650	8.3
115.05486	3.9
117.07013	23.0
119.07820	4.0
119.08591	42.3
119.53162	3.0
120.08946	4.2
121.06490	12.9
121.10165	28.4
123.04426	7.0
123.08059	13.9
123.11682	5.2
125.09652	20.5
129.06970	12.7
131.08575	22.7
133.10136	18.9
135.08028	14.7
135.11684	22.0
137.09622	29.7
141.06989	5.4
143.08546	13.9
145.10124	28.8
145.85278	3.2
147.08064	19.7
147.11650	14.4
149.09660	21.3
149.13306	6.2
151.11168	5.9
153.09132	16.9
153.12698	4.4
155.01070	4.9
155.10698	4.6
157.10088	7.3
159.08055	5.1
159.11690	11.4
161.09601	9.0
161.13251	4.5
163.11189	33.3
163.14792	3.8
163.56181	3.4
164.56807	3.5
165.09111	9.0
165.12724	23.3
171.10278	3.5
171.11664	6.3
173.09671	7.2
173.13222	6.1
175.11220	7.8
177.12672	5.6
181.12254	6.2
185.13260	4.2
187.11162	3.6
189.11217	19.8
191.10657	5.8
193.12149	4.2
207.13834	3.6
211.13100	4.2
223.13333	17.2
225.16423	4.8
227.12735	8.3
229.19357	3.8
239.17804	4.8
247.20653	4.0
249.14883	4.9
257.19098	5.8
259.20490	4.9
261.18869	3.4
261.22144	13.2
273.18430	29.4
275.20114	49.9
276.20465	3.8
277.21729	23.3
290.18594	6.0
291.19540	69.9
293.21112	63.8
295.22626	15.0
304.73923	3.6
307.18793	4.2
315.76065	4.1
359.48547	3.5
505.38565	9.4
507.74426	4.1
522.38684	13.6
567.40186	6.2
621.26947	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	620.452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89045	1.8
53.03948	3.5
55.01865	5.0
55.05517	26.6
57.01978	1.8
57.03433	1.8
57.07046	2.0
67.05511	30.4
69.07069	14.1
69.19150	12.3
69.19575	5.7
71.04977	2.5
75.04899	1.7
77.03902	1.9
79.05070	2.9
79.05499	29.7
81.03419	6.4
81.07064	30.0
83.04989	6.0
83.08627	22.3
89.37990	2.0
91.05488	27.9
91.66257	1.7
93.07049	23.1
95.04977	22.2
95.08616	15.2
97.06522	8.5
97.10155	2.9
105.07038	30.3
107.04964	8.5
107.08604	21.3
109.06506	3.5
109.10150	6.2
111.08095	5.8
117.07024	15.0
119.08590	25.7
121.06505	6.2
121.10157	16.7
123.08044	5.7
123.11736	2.3
125.09636	4.0
129.07043	3.8
131.08563	15.7
133.10144	20.7
135.08055	5.5
135.11693	7.1
137.09642	2.8
141.06984	3.5
143.08569	4.9
145.10150	20.6
147.08084	2.8
147.11713	10.8
149.09613	23.0
149.13301	3.9
151.11180	4.1
155.08510	3.1
157.10117	5.4
159.11682	10.4
161.13281	3.7
163.11203	23.1
165.12733	2.9
169.10133	3.4
171.11687	4.9
173.09570	3.0
173.13290	4.1
175.11246	2.1
177.12721	4.1
183.11719	2.6
189.11182	3.2
197.13300	4.2
205.12384	2.2
223.13313	19.1
229.19511	3.2
234.58215	2.1
239.18044	9.2
257.18982	12.9
275.20071	100.0
278.79123	1.9
293.21127	36.3
295.44751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01862	4.7
55.05518	15.9
57.03438	3.2
58.70567	1.8
59.79137	1.7
62.85804	1.9
65.03930	2.0
67.05507	21.0
69.07079	9.1
70.95541	4.2
71.04981	1.5
79.05501	23.3
81.03414	3.8
81.06600	2.0
81.07059	30.3
83.04958	3.9
83.08614	17.2
86.76023	1.6
91.05482	18.5
93.07047	22.5
95.04974	22.7
95.08602	15.0
97.06541	3.3
97.10192	3.5
105.07041	24.1
107.04967	8.6
107.08594	13.3
109.06519	9.7
109.10139	6.5
111.08096	2.9
115.05443	2.1
117.07019	8.0
119.08586	20.5
121.06499	5.2
121.10154	11.5
123.08079	3.9
123.11740	2.1
125.09641	4.5
129.07018	4.1
131.08580	11.6
133.10139	17.6
135.08051	4.6
135.11682	5.2
137.09595	2.9
143.08563	2.6
145.10143	14.4
147.11703	11.5
149.09622	15.8
149.13196	2.1
151.11137	2.8
155.08498	2.7
157.10106	2.1
159.11719	10.4
161.09668	1.7
161.13266	3.5
163.11203	19.4
165.12810	4.1
169.10103	2.9
171.11763	2.3
173.09564	2.9
173.13283	3.8
175.11217	1.8
177.12770	2.3
183.11641	3.4
189.11147	2.1
193.12134	1.7
197.13345	2.9
205.12283	2.3
223.13335	14.9
229.19513	2.3
239.17941	6.9
243.77939	2.1
247.20573	4.1
257.19009	13.7
275.20074	100.0
276.20663	1.8
293.21127	54.0
455.44604	1.7
528.42676	1.8
529.16742	1.8
621.26733	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	619.3997
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.89478	1.8
55.05515	8.4
65.03906	1.6
67.05524	9.4
69.03409	1.8
69.07083	8.8
70.73265	2.5
70.73605	3.9
75.70663	1.6
79.05506	11.3
80.95182	1.5
81.07067	22.2
82.59023	1.5
83.08616	7.0
91.05493	20.6
93.07046	16.2
95.04988	5.8
95.08624	25.5
95.83779	1.7
97.06570	2.5
97.10190	3.8
105.07033	18.0
107.04971	16.8
107.08596	21.4
109.06533	1.8
109.10180	13.4
111.11737	1.9
117.07030	2.6
117.70386	1.6
118.97314	1.6
119.04948	27.6
119.08599	35.2
121.10157	21.9
123.04443	4.1
123.11691	6.5
125.09626	2.3
129.07010	1.8
131.08563	8.1
133.10133	18.7
135.11688	11.4
137.13275	4.2
141.06914	1.6
141.20428	1.5
145.10149	13.7
147.04424	100.0
147.11691	16.1
149.09561	1.9
149.13306	8.0
153.01878	2.8
153.09100	2.9
157.10155	4.3
159.11737	13.2
161.13260	11.7
163.11137	2.2
163.14870	9.0
165.05495	27.4
171.11687	1.9
173.13248	8.2
175.14836	15.0
177.16379	13.6
183.11700	1.9
187.14832	10.6
189.16405	27.0
191.17973	6.8
199.14882	3.7
201.16374	23.3
203.17973	32.0
205.15829	3.5
207.17451	3.2
213.16344	8.1
215.17966	17.7
217.19469	2.6
219.17500	2.6
229.19553	4.2
233.15456	2.6
235.16982	3.2
241.19553	4.4
243.21053	2.5
247.17041	4.9
255.21104	3.3
261.18491	6.6
267.20941	3.7
269.22812	2.2
273.18521	3.8
275.20129	2.9
291.19617	4.9
293.21124	6.1
295.23947	2.3
307.56635	1.9
350.26642	2.3
391.33563	7.1
407.32947	4.4
409.34680	8.0
411.32590	6.3
435.32492	2.6
437.34253	31.2
504.04440	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3993
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.01865	8.6
55.05513	42.2
59.14775	7.0
67.05504	46.7
69.07067	21.9
77.54118	6.7
79.05500	61.8
81.03417	11.1
81.07061	96.3
83.04990	14.4
83.08614	23.9
83.92050	6.7
89.07706	6.1
91.05503	38.3
93.07041	42.1
94.07343	6.6
95.04977	51.2
95.08623	46.5
97.10164	17.4
105.07042	37.9
105.07644	6.5
107.02818	6.5
107.04923	16.1
107.08588	36.2
109.06534	38.5
109.10146	20.0
117.07025	13.3
119.04948	27.1
119.08582	38.4
121.06499	15.5
121.10135	29.7
123.08039	11.8
123.11699	10.8
125.09607	14.7
128.09050	7.1
129.07019	9.6
131.08553	21.0
133.10109	25.1
135.08009	11.8
135.11693	26.8
143.08572	9.8
145.10130	30.8
147.04420	100.0
147.11699	11.1
149.09694	9.6
149.13312	14.1
153.01830	19.0
157.10120	10.1
159.11736	15.4
161.09656	8.8
161.13284	12.7
163.11200	18.3
165.05470	22.1
171.11646	9.7
175.14723	11.4
177.16449	10.4
185.13223	11.0
187.14886	9.6
189.11241	16.9
189.16360	15.6
201.16331	8.4
203.17955	15.1
205.15804	8.3
215.18114	8.4
223.13257	17.9
273.18387	39.0
275.19986	25.2
291.19574	71.8
291.56085	6.8
293.21213	51.9
309.12323	6.6
437.34085	12.8
489.52448	6.7
531.29071	15.4
619.43433	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	619.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.7
55.06567	1.6
57.07073	1.4
63.99429	1.6
65.03922	2.3
67.05500	6.9
69.07073	7.5
69.65210	9.4
79.05485	5.0
81.07060	17.3
83.08607	6.8
91.05483	18.3
93.07054	10.8
94.56414	1.6
95.08607	21.2
97.10146	2.5
105.07050	14.2
107.08612	16.6
109.10165	11.3
117.07002	3.1
119.04948	24.7
119.08584	27.3
121.10153	19.5
123.11707	9.5
129.07010	1.8
131.08548	5.4
133.10149	17.4
135.11699	11.7
142.91148	1.7
143.08556	3.7
145.10156	12.5
147.04422	100.0
147.11697	14.2
149.13251	6.9
155.14442	2.2
159.11736	8.8
161.13258	8.3
163.14822	6.4
165.05492	24.2
171.11719	2.3
173.13309	4.1
175.14854	12.6
177.09201	1.7
177.16437	12.1
177.46071	1.8
178.35002	1.4
187.14771	5.1
189.16405	21.3
191.17944	2.9
195.11868	1.9
196.35907	1.8
201.16423	16.0
203.17955	28.3
205.15939	3.2
207.17422	3.4
213.16440	3.9
215.17960	17.6
215.52792	1.6
221.19029	1.6
227.17889	2.8
233.15186	1.6
235.16971	2.7
241.19641	2.2
243.21049	3.3
247.16960	9.2
249.18565	2.4
255.21011	2.0
255.62393	1.7
261.18442	12.5
267.21091	2.4
291.19379	2.1
329.24719	1.6
351.67868	1.6
375.08105	1.5
391.33563	6.4
404.29211	1.9
409.34869	9.2
411.32758	7.7
437.34146	29.9
443.34265	1.6
455.35049	2.1
533.41339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.399
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05513	3.9
57.07077	2.3
60.38578	1.4
61.78117	1.1
64.61678	1.2
66.50887	1.3
67.05486	6.1
69.07070	5.9
69.93645	5.3
73.92506	1.2
79.05495	5.0
80.59933	1.3
81.07053	12.2
83.08628	6.7
91.05480	15.3
93.07043	9.1
95.08611	20.3
95.37296	1.3
97.10188	2.4
105.07030	15.6
107.08589	16.0
109.10153	10.8
117.06954	1.4
119.04951	25.5
119.08594	24.4
121.10144	15.0
123.11694	7.4
131.08594	4.2
133.10138	13.8
135.11679	10.0
137.13249	2.3
143.08533	2.6
145.10106	8.0
147.04410	100.0
147.11661	10.3
147.90681	1.5
149.13255	7.7
157.10152	1.7
159.11716	10.6
161.13271	8.8
163.14842	6.1
165.05475	27.7
169.10057	1.5
173.13231	4.5
175.14864	11.5
177.16367	10.9
187.14839	4.2
189.16376	22.4
191.17928	3.6
199.14778	1.4
201.16379	18.2
203.17937	25.5
207.17419	4.4
213.16402	5.9
215.17995	16.0
217.19481	2.8
235.16930	2.8
241.19501	4.0
243.21068	3.6
244.69676	1.3
247.16956	3.0
259.16855	3.0
261.18515	6.5
273.18280	1.5
365.32291	1.9
391.29004	1.7
391.33350	7.9
394.37097	1.5
409.34473	9.4
411.32687	5.7
427.35541	1.8
437.34167	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.6
57.07061	2.8
67.05489	8.7
69.07047	7.6
69.41892	17.9
79.05492	7.9
81.07063	19.4
82.07379	2.1
83.08611	8.2
91.05485	20.7
93.07040	16.1
95.08617	30.0
97.10107	2.3
98.21530	4.1
105.07030	15.4
107.08588	27.8
109.10165	12.0
117.06988	4.3
119.04945	30.6
119.08591	22.7
121.10149	20.5
123.11686	8.1
131.08566	6.7
132.65680	2.4
133.10143	17.0
135.11682	17.0
137.13249	8.5
145.10123	12.3
147.04413	100.0
147.11703	13.8
149.13264	13.2
151.14847	2.7
157.10056	3.1
157.15961	2.8
158.10902	2.9
159.11668	9.7
161.13225	8.5
163.14825	6.6
165.05466	29.1
171.11705	3.8
173.13263	5.5
175.14841	9.5
177.16405	14.7
180.05415	2.3
185.13290	3.5
187.14828	6.3
189.16367	15.2
191.17992	5.8
201.16417	12.0
203.17953	28.7
205.15866	3.3
213.16377	6.8
215.17967	8.6
241.19574	3.8
255.20888	2.9
259.16946	5.5
261.18512	2.9
267.21097	2.6
391.33704	5.5
409.34512	6.6
411.32709	3.8
437.34222	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	619.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.9
62.39993	4.2
63.31038	4.3
67.05502	13.8
69.07076	7.7
70.99279	11.3
79.05475	10.2
79.62143	4.8
81.07053	23.6
83.08622	10.7
83.96447	3.9
87.04507	4.8
91.05473	23.6
93.07043	13.2
95.08625	30.5
96.21514	4.6
105.07047	21.5
107.08578	22.7
109.06553	6.3
109.10149	12.5
111.80338	4.3
117.07047	7.4
119.04916	30.2
119.08586	30.6
121.10149	23.0
123.11694	8.9
130.26271	5.0
131.08618	6.4
133.10162	24.1
135.11729	13.6
145.10156	19.9
147.04410	100.0
147.11697	17.1
149.13216	4.7
157.10153	5.8
158.10852	4.9
159.11707	14.6
161.13347	7.0
163.14757	6.0
165.05484	21.7
175.14818	12.8
177.16412	14.5
189.16402	18.0
201.16386	12.1
203.18034	25.5
205.15889	6.5
213.16483	6.2
215.17990	17.2
247.16786	7.9
261.18716	5.4
381.79617	5.3
409.34702	11.5
411.32144	6.9
437.34323	23.1
460.75784	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	619.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	17.1
55.01881	16.9
55.05516	40.8
57.03432	11.3
57.07069	2.6
65.03923	5.6
67.05509	66.9
67.10895	2.3
69.03144	2.4
69.03440	28.1
69.07072	18.0
71.01366	2.5
71.05007	12.0
71.34370	4.3
73.02937	2.5
75.34218	2.2
76.58703	2.3
79.05504	61.2
81.03426	100.0
81.07058	51.7
83.01318	2.6
83.04987	18.0
83.08627	22.8
85.02912	20.2
85.06540	3.1
86.09731	3.4
91.05486	48.8
93.07057	34.8
95.04984	45.4
95.08614	24.7
97.02903	23.1
97.06543	8.2
97.10186	21.8
99.04469	7.4
103.05473	6.1
105.03409	3.1
105.07043	34.1
107.04962	31.5
107.08609	21.3
109.02898	36.1
109.06527	10.1
109.10176	23.8
111.04444	16.7
111.08091	9.0
115.05499	6.9
117.07036	19.9
119.04943	8.5
119.08588	26.7
121.02899	9.5
121.06541	12.8
121.10184	13.9
123.04422	9.7
123.08053	7.0
123.11727	2.3
125.02354	7.9
125.09649	19.1
127.03926	12.7
128.06255	5.4
129.07010	18.1
131.04930	14.1
131.08571	20.4
133.06534	11.6
133.10115	14.8
135.04463	5.3
135.08058	9.9
135.11700	9.2
137.02284	2.7
137.06023	5.8
141.07001	3.9
142.07787	4.3
143.08572	10.2
145.06476	16.2
145.10136	13.8
147.04454	11.8
147.08081	8.3
147.11734	11.1
149.06004	3.6
149.09630	9.0
149.13181	2.9
153.01846	9.2
153.06969	4.1
153.09189	3.2
153.12727	5.8
155.08551	9.4
157.06526	9.2
157.10149	11.1
159.08121	9.3
159.11726	4.2
161.05975	12.7
161.09636	4.2
163.03943	5.7
163.11169	16.4
165.05539	3.2
165.06946	2.6
165.09187	3.0
167.08585	3.7
168.09087	2.4
169.06470	3.7
169.10150	4.6
171.08093	5.9
173.04497	13.2
173.06036	9.5
173.09677	10.2
173.11775	4.3
173.13193	3.6
175.07439	3.5
175.11180	8.4
181.06508	3.7
181.10236	4.5
181.12242	5.6
183.08118	3.1
183.11732	4.6
185.06032	4.7
185.09703	4.3
187.07584	7.7
187.11180	4.9
189.05493	4.1
189.09229	3.2
189.11243	8.0
191.10718	9.4
193.12273	18.1
195.08147	3.3
196.09210	2.5
199.07597	6.3
201.09196	3.2
201.12799	4.2
203.06894	2.5
203.10777	4.0
209.11693	12.2
211.07640	3.2
211.13295	16.7
213.09244	2.9
213.12772	3.7
215.10799	4.6
219.13634	2.6
225.12839	3.2
227.12726	16.6
229.12311	3.3
229.14395	4.2
231.13803	4.2
237.12852	2.9
243.13889	4.3
247.13272	14.5
249.15074	3.4
257.15378	4.0
265.14410	3.4
267.15915	5.3
271.13330	9.8
273.14914	8.1
283.15512	5.6
285.14758	3.7
289.14398	7.9
299.12823	4.7
301.14398	15.4
317.13800	3.1
319.15381	7.2
327.15546	3.1
329.17490	4.1
335.14969	4.2
339.16058	3.1
345.16891	4.8
347.20026	2.4
357.17184	3.3
365.21353	2.9
375.18011	3.9
383.22186	5.0
401.23538	3.3
457.26236	6.7
473.23325	2.7
475.27106	9.8
481.25543	3.2
493.28088	4.8
509.25711	3.2
511.26520	2.7
527.26385	5.1
529.28339	4.2
541.27148	2.9
545.26996	2.7
555.29529	9.4
565.28528	2.8
571.29041	3.0
573.30518	3.6
577.33466	3.2
583.29163	11.4
589.29968	4.9
601.30200	25.7
619.31049	94.3
620.31335	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	619.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18076	2.3
70.71955	6.7
72.45545	2.5
74.95509	2.6
82.83501	2.8
86.06071	3.1
90.02677	2.5
92.43213	2.3
95.04968	26.1
119.04932	5.4
123.04426	13.5
134.80084	2.5
147.04430	3.2
151.03920	100.0
151.05156	5.5
153.01834	18.6
153.02914	3.6
162.81021	2.8
193.04987	10.7
211.06052	42.3
229.07095	8.3
619.29535	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	619.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86950	1.5
53.03949	13.6
55.01874	16.7
55.05511	39.0
57.03448	9.5
57.07085	2.2
59.04998	2.8
61.62811	1.4
65.03946	3.8
67.05508	39.3
69.03432	23.0
69.07073	9.6
70.79433	3.0
71.01351	2.6
71.05003	9.9
79.05494	54.0
81.03421	100.0
81.07062	40.0
83.01352	4.2
83.04985	22.0
83.08627	25.9
85.02911	19.9
85.06533	1.9
91.04906	2.5
91.05484	51.0
93.07047	34.0
95.04980	32.3
95.08618	17.5
97.02911	21.0
97.06534	7.9
97.10172	23.2
99.04450	8.6
99.08054	1.7
103.05472	4.9
105.03393	2.4
105.04531	2.1
105.07039	26.2
107.04955	32.6
107.08609	22.8
108.53826	1.4
109.02887	34.4
109.06527	10.0
109.10185	7.5
111.04453	13.1
111.08092	9.7
115.05470	6.1
117.07009	18.1
119.04932	4.0
119.08594	22.7
121.02885	4.4
121.06505	12.8
121.10145	12.6
123.04462	9.8
123.08074	11.3
125.02366	18.2
125.05994	3.7
125.09631	19.6
127.03926	11.4
128.06233	5.5
129.07002	14.6
130.07800	2.3
131.04922	7.7
131.08583	13.9
133.06505	7.7
133.10172	8.3
135.04422	4.5
135.08081	7.5
135.11691	10.7
137.06027	2.6
139.03885	2.0
141.07030	5.1
142.07758	1.9
143.08601	5.0
145.06502	12.0
145.10155	15.8
147.04445	7.9
147.08063	8.2
147.11714	10.0
149.05984	6.1
149.09642	5.9
151.03951	2.1
152.25444	1.5
153.01842	1.7
153.07109	1.6
153.09120	5.6
153.12778	5.7
155.08594	3.4
157.06526	7.4
157.10175	6.2
159.08075	6.1
159.11729	2.5
161.06012	6.1
161.09674	3.9
163.07599	2.1
163.11229	21.6
165.05528	1.5
165.07118	1.6
165.12807	1.8
167.08533	2.3
169.10074	3.0
171.04469	1.7
171.08080	4.8
171.11650	2.9
173.04524	5.1
173.06036	5.1
173.09633	6.8
175.07512	2.2
175.11273	9.0
177.12685	1.8
181.10139	2.1
181.12245	6.0
183.08093	1.8
185.05934	2.9
185.09608	2.5
187.07594	5.0
187.11186	2.7
189.05540	3.3
189.09459	2.6
189.11232	11.0
189.12778	2.9
191.10718	8.8
193.12259	23.5
195.11700	2.0
197.06041	2.1
197.09674	1.9
199.07628	3.3
199.11180	4.2
201.12799	2.8
203.10693	2.8
205.10165	1.7
205.12251	2.5
209.11787	6.5
211.07506	1.6
211.13339	16.2
213.09033	1.6
215.14528	1.9
219.13861	2.1
227.12779	12.2
231.13838	4.3
235.11270	1.7
235.13400	2.0
243.13870	2.3
247.13396	1.8
249.14822	3.1
253.12398	1.7
255.13864	5.2
259.13397	2.7
259.17181	1.8
261.14890	1.6
263.12949	1.7
267.15958	8.5
271.13251	4.7
273.14880	9.7
283.15408	13.1
285.17334	2.0
289.14395	4.1
299.12845	2.8
301.14221	9.0
317.13858	2.7
319.15369	8.4
335.15613	2.0
337.16510	3.7
339.16068	2.7
353.16003	3.3
357.17166	5.6
365.21368	2.3
373.16418	1.8
375.18149	3.8
383.22296	11.8
391.17532	2.5
393.19247	4.2
401.23477	2.5
457.25900	3.0
463.25214	1.8
475.27179	10.1
491.23856	2.6
493.21341	1.8
493.27713	7.7
499.26999	3.6
509.25467	4.7
527.26697	4.1
541.27948	3.1
545.27551	4.4
553.27551	2.3
555.29523	2.4
565.27917	1.9
571.29010	2.8
583.28815	9.7
601.30206	14.9
619.31079	76.1
620.30878	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	619.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02382	1.5
54.42710	0.2
55.01868	0.4
69.68712	0.7
69.69127	0.7
79.01858	7.0
81.03431	0.5
87.00817	0.3
97.02898	1.4
107.01324	1.7
109.02894	0.6
124.79462	0.3
125.02349	3.1
127.03914	1.9
143.03400	6.7
150.60388	0.2
153.01843	100.0
153.02916	6.9
154.02171	0.6
163.03932	0.4
177.05359	0.2
185.43428	0.2
191.03372	0.8
194.08960	0.3
209.04451	0.3
213.03893	0.3
223.59323	0.2
226.20290	0.2
233.04420	0.4
237.03957	2.5
261.04071	0.5
264.38626	0.3
279.05069	0.9
344.35437	0.2
411.09079	0.2
449.07111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.01862	8.2
55.05277	2.2
55.05516	34.3
57.03408	2.2
57.07067	2.7
65.03954	1.9
67.05505	33.9
69.03426	2.2
69.07066	18.4
70.02338	8.5
71.05007	3.8
79.05065	2.9
79.05495	32.1
81.03407	8.7
81.06599	2.5
81.07056	34.7
83.04951	8.7
83.08619	32.4
87.04455	2.4
91.05484	35.6
93.07046	30.2
95.04967	40.0
95.08613	23.3
97.06519	6.8
97.10181	9.3
105.07039	31.4
107.04962	17.6
107.08593	25.2
109.06525	6.4
109.10159	7.9
111.08074	4.5
117.07029	12.5
119.08583	28.4
120.05831	2.1
121.06485	4.1
121.10156	14.2
123.08064	6.7
123.76089	1.8
125.09597	8.5
129.06981	5.6
131.08539	14.4
133.06479	4.1
133.10139	23.3
135.08055	5.1
135.11661	6.0
137.09654	4.0
142.11101	1.8
143.08528	4.7
145.06483	2.5
145.10132	19.7
147.08031	6.3
147.11731	10.6
149.09613	23.1
155.08534	5.5
157.10103	5.4
159.11679	12.6
161.09628	3.2
161.13225	5.9
163.11188	32.5
165.12726	4.4
169.10103	5.3
171.11703	4.5
173.09644	2.9
173.13332	4.4
175.11298	1.9
177.12782	2.7
183.11725	2.2
187.11147	3.1
189.11186	7.1
189.12732	2.2
197.13324	2.6
205.12311	2.5
223.13297	32.7
229.19531	2.9
229.69304	2.2
239.17984	8.7
245.19009	2.3
246.10199	2.0
257.19034	11.0
263.19955	3.1
273.18600	13.2
275.20068	90.3
276.20227	1.9
284.58414	2.1
291.19543	100.0
293.21118	63.0
309.20651	2.8
583.39618	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01872	7.4
55.05514	34.6
57.03430	4.9
57.07067	5.6
58.17056	2.6
65.03930	2.7
67.05506	42.3
69.03427	6.0
69.07072	18.8
69.31396	12.7
69.31817	6.5
71.04996	2.6
77.84246	2.9
79.05502	45.6
81.03413	10.3
81.07063	44.0
83.04982	6.7
83.08618	23.3
85.06550	3.6
87.04467	13.6
91.05488	34.5
93.07052	36.6
95.04977	28.1
95.08620	27.2
97.06527	6.6
97.10178	10.9
105.06393	3.8
105.07030	34.8
107.04955	14.6
107.08608	26.2
109.06515	13.0
109.10158	11.8
109.83956	2.6
111.08101	5.5
112.26189	2.3
115.05492	3.9
117.07051	14.0
117.12097	2.3
119.08585	27.2
121.06505	7.0
121.10130	17.4
123.08060	9.8
123.11678	4.5
125.09639	7.7
127.11108	2.4
127.33128	2.3
128.06219	2.4
129.07025	6.6
131.08606	14.7
133.06451	3.7
133.10106	17.6
135.08041	6.5
135.11671	6.7
137.09602	3.5
143.08565	3.3
145.06529	2.6
145.10100	17.8
147.08028	8.0
147.11728	12.2
149.09645	15.3
151.11195	4.0
157.10147	7.0
159.11717	8.7
161.09694	5.5
161.13191	3.9
163.11186	21.9
165.09187	3.4
165.12733	3.4
171.11674	7.1
173.09647	3.5
173.13203	4.9
175.11246	5.6
177.12715	3.6
189.11192	4.3
191.14262	3.8
223.13286	14.3
229.19498	4.0
239.18057	4.6
247.20436	2.7
249.14867	4.5
251.13460	2.2
257.19043	9.0
273.18445	17.1
275.17029	3.7
275.20059	65.2
291.19547	100.0
293.21057	31.5
302.75513	2.3
359.25772	7.0
367.48346	2.6
383.36319	2.5
583.39819	7.2
604.66840	2.4
622.65283	2.5
641.74860	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	618.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01879	9.2
55.05513	35.0
57.03432	1.7
57.07076	2.6
65.03941	2.9
66.57227	1.6
67.05508	49.5
67.05878	2.4
69.03451	1.9
69.07073	17.3
70.06300	6.6
71.04992	6.2
79.05498	37.2
81.03426	11.0
81.07059	42.4
83.04988	10.0
83.08627	32.8
85.06548	3.7
87.04479	9.8
91.05486	49.2
93.07050	41.0
95.04976	34.3
95.08608	22.2
97.06535	6.7
97.10170	5.2
98.20812	1.9
105.07038	46.9
107.04964	19.1
107.08607	37.3
109.06513	7.0
109.10160	31.0
111.08101	8.8
113.09652	1.9
115.05486	1.9
117.07030	16.1
119.08585	27.6
121.06502	11.0
121.10152	19.7
123.08076	4.3
123.11713	6.0
125.09629	6.9
127.07540	2.2
128.06175	1.9
129.07005	5.9
130.07784	1.8
131.08572	17.4
133.06505	3.5
133.10136	50.9
135.08076	7.2
135.11705	9.4
137.09621	6.3
141.06958	3.1
143.08562	6.3
145.06505	2.3
145.10133	23.7
147.08061	5.4
147.11725	11.1
149.09625	22.4
149.13345	2.1
151.11186	23.3
154.09921	1.6
155.08553	2.9
157.10188	3.9
159.08130	2.2
159.11705	9.7
161.09625	5.4
161.13275	4.0
163.11195	32.9
165.12804	5.5
167.10724	1.5
169.10095	2.6
169.12234	8.1
171.11678	3.6
173.09656	5.2
173.13293	4.7
175.11208	4.3
175.14862	2.3
177.12689	4.9
179.10637	2.7
183.11794	3.0
185.13321	2.6
187.11244	3.1
189.11273	5.7
191.10695	3.8
197.13260	4.3
202.23035	1.7
205.12178	2.7
215.12816	2.7
223.13315	19.8
229.19547	5.1
239.17992	9.2
247.20609	3.7
249.14832	3.2
257.19040	16.1
273.18555	12.6
275.20074	100.0
276.20349	2.3
278.46832	1.7
289.17996	2.2
290.18671	2.4
291.19528	18.9
293.21130	68.0
324.39511	1.5
332.22891	1.7
381.47787	1.4
506.91580	1.9
640.77765	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24039	2.3
53.03944	2.9
55.01869	2.6
55.05516	30.5
57.03444	2.5
57.07075	13.7
58.40310	2.4
59.05000	3.1
65.03927	2.9
66.74823	2.4
67.05508	25.0
69.03425	6.7
69.07095	12.4
71.04985	4.6
77.03928	2.3
78.31272	2.3
79.05495	28.6
79.82195	2.3
80.06253	2.3
81.03415	3.3
81.07067	39.1
83.04976	9.7
83.08624	36.0
85.06539	7.5
87.04474	26.7
91.05480	30.4
92.05820	2.6
93.07046	36.5
95.04979	18.3
95.08604	26.3
97.06528	10.1
98.21554	5.0
99.04453	4.4
105.07034	61.0
105.07703	4.7
106.07307	2.7
106.47179	2.4
107.04963	6.6
107.08607	36.9
109.06544	19.7
109.10159	12.3
111.08070	3.2
113.09657	4.1
115.05438	5.6
117.07029	15.0
119.08595	57.9
120.09418	2.9
121.06515	7.6
121.10152	25.8
123.08074	20.9
125.09618	7.2
128.06224	6.7
129.07016	13.6
129.32851	2.6
130.07765	4.1
131.08575	34.9
132.09320	2.7
133.06535	5.4
133.10118	30.6
135.08069	14.7
135.11714	7.7
137.06017	2.6
137.09628	14.3
139.11182	3.8
141.06955	5.3
142.07785	14.2
143.08580	25.2
144.09363	11.5
145.06534	4.2
145.10133	48.6
146.10875	3.3
147.08052	27.8
147.11679	14.0
149.09618	12.3
151.06448	2.5
151.07507	13.1
151.11162	3.3
155.08597	10.9
155.10674	5.4
156.09358	12.6
157.10150	44.2
158.07358	3.2
158.10893	8.2
159.08063	8.4
159.11668	23.3
160.08862	9.9
161.09651	11.6
161.13264	5.2
163.11127	11.7
165.09131	29.6
167.08588	5.2
169.10127	13.5
170.10898	5.2
171.10274	4.0
171.11674	21.4
172.12404	7.1
173.09674	3.5
173.13255	9.2
175.11168	18.5
175.14859	4.1
179.08546	4.4
181.10143	9.5
181.12238	18.4
182.10938	4.4
183.11664	14.6
184.12442	2.5
185.09650	2.8
185.13283	11.0
186.14134	2.9
187.11174	6.3
187.14804	5.2
189.12756	5.1
190.13512	11.2
191.10614	4.2
191.14323	4.4
193.10213	6.9
193.12178	5.5
194.11037	2.9
195.11731	10.4
195.13620	2.4
196.12444	4.9
197.08040	2.7
197.09663	3.6
197.13310	11.5
198.10489	2.7
199.11168	7.8
199.14882	4.2
201.12764	6.1
203.14272	13.7
207.11856	5.0
207.13840	10.1
208.12773	4.3
208.14499	14.5
209.13272	14.0
209.15208	4.6
210.13933	2.5
211.11365	4.0
211.14915	6.8
213.12781	6.7
215.14273	2.8
219.13841	4.9
221.13260	5.5
221.15355	69.0
223.14915	3.2
225.14735	12.6
231.13898	4.1
233.13260	3.8
233.15353	12.1
234.16154	16.4
235.14713	4.8
237.12790	7.2
237.16502	3.6
243.13745	2.3
247.16945	10.9
249.39655	2.5
253.15968	3.1
255.17574	2.4
259.17001	4.9
271.16980	4.2
273.18494	6.1
274.19318	4.6
275.20129	8.6
276.20416	8.1
281.19254	2.7
286.19275	8.3
287.20062	54.5
289.17935	5.9
290.18365	3.8
291.19543	4.2
293.20993	3.8
297.18503	4.1
299.20065	11.0
300.20886	3.1
303.19443	4.6
305.22418	3.1
311.20166	3.2
312.20926	3.2
325.21783	13.2
329.20874	2.6
337.21588	9.9
339.23300	5.8
352.23996	84.7
353.24689	5.0
365.24579	17.0
391.26578	3.4
395.25754	7.7
472.31815	8.1
520.35760	3.0
525.35754	10.3
538.36572	100.0
539.36670	4.7
600.41229	3.4
618.42480	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	617.514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39464	1.6
53.03929	3.3
55.01873	2.0
55.05514	19.3
57.03434	13.2
57.07077	45.4
57.56409	1.3
65.03917	1.7
67.05508	48.1
69.07064	21.6
71.04990	3.2
71.08636	33.2
79.05498	37.4
81.06591	3.0
81.07058	54.0
83.08615	16.3
85.06512	2.0
85.10185	18.1
87.04478	4.4
91.05486	55.5
93.07046	42.4
95.04963	4.7
95.08607	46.6
97.06528	3.6
97.10166	8.8
99.08085	3.2
105.07034	58.6
107.08590	26.1
109.06520	2.2
109.10170	20.9
109.54469	1.6
111.11723	3.4
117.07028	14.3
119.08585	52.9
121.06561	1.7
121.10149	18.2
123.11704	8.0
129.07021	8.8
131.08575	23.6
133.10139	40.9
135.11693	16.1
137.13293	2.1
142.75877	1.6
143.08565	10.5
144.09334	2.0
145.10127	25.2
147.11690	42.2
149.09665	2.5
149.13248	12.2
157.10144	9.2
159.11681	14.1
161.09563	2.0
161.13255	40.0
161.82042	1.5
163.11177	2.1
163.14801	3.4
169.10136	2.7
171.11684	12.6
172.43623	1.9
173.13245	13.0
175.14815	17.7
185.13254	11.9
187.14772	6.4
199.14766	4.1
201.16331	2.6
213.16469	3.2
215.17960	3.6
217.19472	2.7
231.21039	10.3
235.59970	1.7
241.19530	49.1
259.20587	100.0
267.26920	3.7
275.20029	1.9
277.21585	2.4
285.28043	1.9
306.40427	1.7
315.23184	6.6
333.24258	47.7
341.30502	94.7
351.25314	2.0
441.82227	1.5
519.40265	2.6
599.49994	6.8
617.51465	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	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.01871	6.8
55.05514	18.8
57.03428	1.9
59.04988	1.2
61.61192	0.8
62.19640	0.8
65.03928	2.7
67.05505	20.4
69.03420	2.8
69.07071	7.5
69.37212	7.3
71.04987	2.5
79.05493	34.2
81.03411	4.2
81.07059	71.2
83.04974	7.1
83.08622	7.9
85.02892	2.5
85.06538	1.2
86.04745	0.8
90.29748	0.8
91.05479	19.7
93.07046	19.6
95.04968	14.2
95.08607	11.1
97.06516	3.5
97.10177	10.5
103.05446	1.0
105.03431	1.0
105.07025	14.3
107.04959	6.6
107.08600	14.0
109.06518	27.3
109.10171	5.6
111.04435	6.8
111.08031	4.3
115.05459	2.7
117.07021	14.6
119.04930	4.0
119.08588	25.7
119.09413	0.6
121.06509	8.9
121.10145	9.6
123.04396	1.1
123.08076	7.5
124.98523	0.8
125.05944	1.0
125.09639	10.3
128.06184	2.0
129.06996	7.1
130.07838	1.0
131.08566	11.1
133.06465	2.8
133.10165	6.8
135.08084	6.9
135.11729	4.9
137.09612	3.1
141.07072	0.9
143.08554	6.4
144.30278	0.8
145.06473	1.7
145.10136	15.1
147.04369	4.0
147.08044	12.9
147.11650	2.6
149.09621	6.9
151.07463	1.1
153.09131	2.6
153.12772	1.8
155.08536	2.0
157.10127	6.2
159.08047	2.4
159.11708	5.2
161.09634	9.6
161.13240	1.6
163.11163	8.2
165.05475	1.0
165.09149	2.0
169.10178	1.6
171.11674	3.2
173.09615	2.2
173.13214	1.9
175.11128	2.5
175.14919	1.0
177.12843	1.8
181.10168	1.1
181.12199	3.7
183.11642	0.8
185.09570	1.2
185.13246	2.1
187.11230	1.4
187.14796	1.2
189.11249	7.6
189.12753	1.7
191.10684	3.5
193.12175	0.8
195.11719	1.5
199.11110	1.4
207.13777	0.9
209.13432	0.9
213.12851	1.0
215.05133	1.0
217.15723	1.0
221.15382	2.5
223.13338	5.7
227.12770	3.7
227.17943	2.2
241.19691	0.9
245.18994	2.9
249.14883	4.8
255.17369	4.7
273.18503	34.7
282.36230	0.9
291.19547	100.0
292.19849	1.9
293.20493	0.9
309.20624	3.6
390.72177	0.9
392.49783	1.0
435.32428	2.0
472.53024	0.8
479.14752	1.1
545.36621	1.1
599.38776	1.0
617.41382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.01875	15.7
55.05514	40.7
57.03432	7.5
57.07074	3.4
58.09450	1.9
64.33071	1.9
65.03958	3.6
67.05507	66.5
69.03413	5.0
69.07072	27.6
69.25757	18.0
71.05013	6.6
72.46433	2.0
79.05500	62.4
81.03421	10.1
81.07060	90.8
83.04997	18.0
83.08615	30.6
85.06549	6.6
91.04902	3.5
91.05482	65.1
93.07050	61.4
93.07644	3.4
95.04972	40.8
95.08604	43.9
97.02889	5.9
97.06523	12.5
97.10159	13.4
98.21526	4.4
99.08060	2.4
103.05481	4.4
105.07035	61.3
107.04951	30.7
107.08598	32.7
109.02964	2.0
109.06520	27.2
109.10172	27.8
111.04456	6.2
111.08083	11.1
117.07030	23.0
119.08591	46.3
121.06502	14.0
121.10135	24.3
122.07273	3.2
123.04421	6.2
123.08085	17.3
123.11737	4.8
125.05997	4.4
125.09638	8.0
128.06213	3.9
129.06996	7.9
130.07806	3.6
131.08578	28.8
133.06487	8.6
133.10129	47.1
135.08060	15.7
135.11674	15.5
137.09625	10.8
139.11195	3.5
141.06937	3.8
143.08556	14.5
145.06487	7.8
145.10123	28.7
147.08031	12.0
147.11676	18.0
149.09634	25.3
149.13246	7.1
151.07483	3.9
151.11206	6.5
153.09132	3.7
153.12735	3.5
155.08615	5.8
157.10132	7.0
159.08096	11.0
159.11696	19.1
161.09572	16.0
161.13254	7.8
162.62115	2.6
163.07573	6.8
163.11165	23.8
165.07176	2.1
165.09096	4.2
165.12770	5.7
165.42770	1.9
167.08630	2.2
169.10120	5.1
169.12268	2.4
171.08026	2.9
171.11700	9.3
173.09619	7.7
173.13254	6.1
175.11218	6.1
177.09010	2.3
177.12758	7.4
181.12210	6.4
183.11694	6.7
187.11209	4.3
187.14891	3.2
189.09491	2.4
189.11232	5.3
189.12756	4.5
193.12271	19.6
197.13316	4.6
201.12776	3.8
203.14304	3.2
205.12181	4.5
207.13808	4.3
209.11690	2.2
211.11211	2.3
215.14244	3.4
219.13849	2.9
221.15320	4.2
223.13252	7.8
227.12827	3.5
229.19574	2.9
233.15378	5.4
235.16948	2.6
239.18021	9.6
247.20558	5.0
257.19000	15.4
261.18564	6.1
268.98196	2.1
271.16913	15.5
273.18375	2.8
275.20071	100.0
276.43292	2.3
289.17990	49.7
290.18814	2.7
291.19608	5.8
293.21100	31.3
307.19080	14.2
463.92404	2.5
549.51880	2.3
563.37292	3.6
581.37982	9.4
599.39227	9.3
617.41388	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	617.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.8
55.01873	25.7
55.05513	38.5
57.03444	16.1
57.07053	2.5
64.61977	2.2
65.03933	6.3
67.05508	70.4
69.03429	5.2
69.07076	28.8
69.45634	14.8
71.01335	4.1
71.04987	5.6
79.05497	68.9
80.95922	2.1
81.03429	17.4
81.07059	100.0
83.04991	20.5
83.08626	32.1
83.32030	1.9
85.02943	2.6
85.06538	5.0
88.82885	1.9
91.05484	75.3
93.07046	61.5
94.04223	2.3
95.01307	3.6
95.04972	66.9
95.05570	4.8
95.08067	3.4
95.08614	45.6
97.02885	5.9
97.06540	26.3
97.10149	11.4
103.05452	4.3
105.04504	3.0
105.07036	75.8
107.04226	2.9
107.04958	53.3
107.08598	38.8
108.05714	3.2
109.06519	37.1
109.10160	23.4
111.04446	7.4
111.08110	11.6
112.05177	3.2
113.05993	3.2
115.05450	5.5
117.07028	27.4
119.04923	5.0
119.08582	50.7
121.06496	22.6
121.10148	24.7
122.07318	14.6
123.04441	5.1
123.08092	15.4
123.11689	5.6
125.06009	4.5
125.09634	8.3
128.06223	7.6
129.06998	14.2
130.07755	3.3
131.08580	35.3
133.06519	10.4
133.10129	40.2
134.06303	2.0
135.08078	14.8
135.11697	15.4
137.09589	10.6
141.06984	4.2
143.08591	14.2
145.06483	8.7
145.10118	35.6
147.08063	19.6
147.11688	21.7
149.09631	29.7
149.13274	5.8
151.07552	7.7
151.11185	5.2
155.08559	5.6
157.10107	9.0
159.08014	6.4
159.11679	16.7
161.09673	17.4
161.13261	6.2
163.07591	2.6
163.11197	37.2
163.14764	3.0
165.09145	10.1
165.12677	4.5
167.08511	2.6
167.10655	4.2
169.10106	7.5
171.11659	6.5
173.09665	5.7
173.13240	7.3
175.11157	6.8
175.14810	4.8
177.12741	7.2
179.10497	2.2
179.14333	6.6
181.12267	7.1
183.11673	4.8
185.13239	4.7
187.11140	5.2
187.14827	5.2
189.11227	8.7
189.12669	5.1
191.10611	2.3
191.14302	2.6
191.36235	2.0
193.12224	2.3
195.11615	3.1
197.13190	6.6
199.07835	2.1
199.14838	2.7
203.14240	4.8
205.12231	6.2
205.15837	3.6
207.13925	2.9
215.14388	2.9
217.15895	2.1
219.13823	3.2
219.17468	12.7
221.15349	6.6
223.13280	27.9
229.19475	3.6
231.13799	2.3
233.15369	21.4
239.17947	6.2
247.20567	6.5
251.16415	8.2
257.18994	10.6
271.17139	4.3
273.18643	11.4
275.20074	84.6
276.20273	2.7
287.16440	2.5
288.17188	2.9
289.17929	17.3
290.18665	15.7
291.19650	12.0
293.21149	37.2
307.19016	8.8
325.19962	3.5
372.81152	2.3
447.15604	2.2
557.11786	2.2
599.40729	2.9
617.40985	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	617.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01872	10.2
55.05513	26.2
57.03412	2.3
65.03935	2.8
67.05188	1.8
67.05508	28.1
68.12051	1.3
69.03416	3.5
69.07074	11.0
69.26206	3.6
69.26619	5.9
71.04994	2.6
79.05493	40.3
81.03402	5.2
81.07059	84.7
83.04550	1.7
83.04987	14.7
83.08620	14.8
85.02896	2.8
85.06524	3.5
91.04922	1.4
91.05483	25.6
93.07052	23.0
95.04967	20.3
95.08605	16.4
97.06523	5.3
97.10178	18.4
98.20969	4.6
99.04470	2.6
99.08056	1.5
99.43693	1.1
103.05470	1.3
105.04526	1.8
105.07041	24.0
106.07802	1.2
107.04942	10.0
107.08605	20.8
109.06529	14.6
109.10148	12.4
111.04449	12.5
111.08093	5.6
115.05420	1.4
117.07020	12.3
119.04948	2.8
119.08588	27.2
121.06499	11.8
121.10170	11.0
123.04403	1.5
123.08077	20.2
125.05930	2.5
125.09632	15.2
128.06207	2.8
129.07011	6.7
130.07733	1.6
131.08560	17.7
132.05618	1.1
133.06490	3.1
133.10135	12.0
135.08098	8.2
135.11713	7.8
137.09621	5.1
139.11168	2.4
141.06960	1.2
142.07762	2.7
143.08571	8.6
144.09418	1.6
145.06456	3.1
145.10141	18.7
147.04433	5.3
147.08047	17.6
147.11670	7.0
149.09615	7.2
149.13229	1.6
151.07545	4.2
151.11281	1.5
153.09114	3.5
153.12782	7.1
155.08540	1.7
156.09348	1.4
157.10146	7.4
159.08052	1.9
159.11671	6.9
161.09666	7.8
161.13277	3.2
163.11195	17.4
165.09138	6.6
165.12781	1.2
167.10722	1.2
169.10126	3.1
171.08055	2.2
171.10271	1.5
171.11671	4.9
173.09624	4.3
173.13316	2.7
175.11255	4.2
177.12689	2.7
181.12234	11.6
183.11710	2.3
185.09653	1.7
185.13231	3.8
187.11258	1.7
189.11209	12.5
189.12708	2.4
191.10704	6.5
191.14207	1.3
193.12155	2.2
195.11748	1.8
197.13277	1.5
199.11189	2.3
201.16313	2.0
203.14294	3.0
203.17964	1.3
205.12184	2.7
207.13780	2.7
209.11752	3.1
213.12885	1.5
213.16426	1.3
215.14194	1.4
221.15390	14.1
223.13206	10.5
225.16483	1.6
227.12820	5.7
227.18010	2.0
237.16425	1.6
245.19019	3.3
247.16933	1.6
249.14845	3.4
255.17450	4.3
271.17178	1.6
273.18497	44.7
291.19559	100.0
292.19806	1.4
309.20602	5.9
409.27255	1.3
471.30652	1.2
545.37640	1.3
563.37439	2.7
581.38275	3.0
599.39874	6.5
617.42139	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	617.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47371	2.1
61.23081	2.2
64.30125	2.3
66.94788	2.4
67.05500	2.5
70.17685	4.4
70.18063	4.4
77.84304	2.1
79.05481	3.0
79.87943	2.3
81.03390	2.5
89.03918	2.9
91.05467	3.7
93.07033	3.4
95.04947	2.4
98.21445	2.1
107.04913	2.9
117.07002	4.9
119.08541	3.3
121.06561	3.0
131.04863	3.1
135.04445	5.9
143.07350	2.8
144.08093	85.5
145.02844	4.8
150.96379	2.3
156.08098	4.0
158.09627	5.2
163.03902	23.5
167.07062	2.6
170.09712	4.5
175.76575	2.4
182.09734	4.8
205.01735	2.4
210.11206	5.9
252.10295	4.8
319.08017	3.2
353.18625	100.0
354.99051	2.5
359.50674	2.8
617.21503	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	616.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01863	7.2
55.05514	33.2
57.03434	3.0
65.03906	2.6
67.05508	25.1
69.07066	15.4
69.24616	14.5
71.05001	3.0
74.53234	1.8
76.96864	1.5
79.05498	30.2
81.03411	6.1
81.07053	35.7
83.04966	6.9
83.08624	26.6
85.06554	2.7
91.04920	2.0
91.05489	33.6
93.07042	28.9
95.04978	14.8
95.08609	21.9
97.06541	9.7
97.10163	7.3
105.07032	33.4
106.86066	1.7
107.04963	17.5
107.08611	18.7
109.06525	7.3
109.10186	8.5
111.04445	2.4
111.08064	5.5
115.05441	2.5
117.07021	15.0
119.08591	31.1
121.06511	9.1
121.10143	11.8
123.04447	2.7
123.08080	6.1
124.12247	1.8
125.09636	4.8
128.06219	2.1
129.07033	5.6
130.07820	1.8
131.08572	21.4
133.10126	21.9
135.08037	12.5
135.11691	7.7
137.09599	7.0
139.11142	2.9
141.07054	2.5
142.23500	1.9
143.08574	5.8
145.06470	5.9
145.10124	24.9
147.08066	5.8
147.11687	13.2
149.09621	24.3
151.11157	2.9
155.08551	2.2
157.10098	5.3
157.90849	1.6
159.08086	3.5
159.11690	18.9
161.09584	5.7
161.13344	2.4
163.07544	6.7
163.11185	25.0
165.12749	6.1
169.10149	4.9
171.11708	4.8
173.09631	3.6
173.13258	5.8
175.11221	3.6
177.12779	3.6
181.12180	3.0
183.11646	4.6
185.13161	2.5
187.11328	2.3
189.11189	2.7
189.12714	2.4
191.10641	3.8
191.14185	1.9
193.12262	19.0
197.13322	3.9
201.12733	2.3
205.12244	3.2
213.16406	2.6
227.12756	1.9
229.15938	2.5
229.19536	2.4
239.18005	11.6
247.20607	3.9
248.17410	2.1
257.18988	22.0
261.18387	2.9
265.10739	1.8
271.16953	3.9
273.18503	2.1
275.20074	100.0
289.17972	37.3
291.19720	2.0
293.21146	6.9
307.18945	11.5
308.83459	1.7
337.50040	2.0
355.09668	2.3
453.30167	3.0
467.42859	1.7
545.35876	2.5
563.37347	3.2
581.38782	9.1
599.39368	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	616.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01868	8.3
55.05239	1.6
55.05515	27.3
57.07069	2.0
65.03932	2.0
67.05510	26.6
69.03422	2.0
69.07071	16.7
69.27242	3.1
69.27634	12.9
71.05009	2.3
79.05074	2.3
79.05504	30.1
81.03418	7.2
81.07059	39.0
83.04978	4.8
83.08632	24.1
85.06513	2.4
91.05486	38.6
93.07052	29.8
95.04968	13.0
95.08610	17.7
97.06552	7.3
97.10162	5.1
105.07033	37.7
107.04961	18.6
107.08603	21.0
109.06505	9.7
109.10181	7.7
111.04445	2.1
111.08073	4.0
114.78432	1.6
117.07018	15.5
119.08587	29.9
121.06517	8.0
121.10142	13.5
123.08077	6.2
123.11672	2.0
125.09621	3.6
129.07031	7.3
131.08574	16.9
133.06508	3.0
133.10138	22.5
135.08051	10.1
135.11705	5.5
137.09599	4.1
143.08583	7.3
145.06506	3.7
145.10143	24.5
147.08061	3.8
147.11681	12.7
149.09634	18.1
149.13292	3.6
151.11192	3.2
153.12714	1.6
155.08531	4.0
157.10146	4.7
159.08076	4.4
159.11722	12.1
160.22229	1.6
161.09631	5.3
161.13237	3.4
163.07538	6.8
163.11212	23.9
165.09180	2.2
165.12828	4.7
165.39873	1.8
169.10130	4.8
171.11674	6.2
173.09607	3.3
173.13274	4.9
175.11192	2.7
175.14993	1.5
177.12781	4.9
183.11688	4.4
187.11162	2.6
191.10764	1.9
191.14317	2.4
193.12289	15.5
197.13350	2.3
201.12762	2.5
205.12230	2.7
211.14812	1.9
215.18132	1.7
227.12776	3.0
229.19572	4.3
239.17940	10.6
243.17361	2.1
257.19070	15.1
261.18588	3.5
271.16949	4.5
275.20081	100.0
276.20093	1.7
289.15115	1.2
289.17996	31.5
291.19626	2.4
293.21167	5.2
307.19012	7.6
343.13245	1.6
453.29874	2.3
563.36908	2.9
581.38281	9.9
599.39349	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	616.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05503	2.0
57.07076	2.0
64.94974	0.5
67.05515	3.4
69.03418	0.6
69.07062	1.1
69.31422	3.5
71.08619	0.8
79.05492	2.2
81.03402	0.5
81.07062	2.9
82.07408	0.5
83.04967	0.7
83.08622	1.3
85.06561	0.7
85.10191	0.8
91.05490	2.7
93.07053	2.8
95.04955	1.5
95.08593	2.4
97.06525	1.1
98.98466	1.9
105.07030	3.1
107.04955	0.5
107.08616	2.3
109.06518	1.3
109.10124	1.1
111.08099	0.7
117.06998	1.1
118.06561	0.9
119.07307	0.6
119.08584	2.8
120.08109	35.0
121.06473	0.6
121.10117	1.4
123.08072	1.5
125.00014	9.1
125.09629	0.6
130.06500	0.6
131.07300	1.0
131.08583	1.7
132.08885	0.4
133.10118	1.3
135.08041	1.1
135.11684	0.8
137.09616	0.5
139.11145	0.7
142.07909	0.7
142.37621	0.5
143.08560	1.6
144.08031	0.7
145.10123	2.1
146.09644	100.0
147.08063	1.3
147.09940	1.0
147.11713	0.9
148.07582	0.5
149.09604	0.7
151.07527	0.5
157.10100	1.6
159.08046	1.0
159.11711	1.1
163.11217	0.6
164.10716	59.5
165.09119	0.9
171.11688	1.3
174.09102	3.1
181.12277	0.8
183.11790	0.7
187.14841	0.5
191.14345	0.5
192.10309	0.9
194.10855	0.5
195.11627	0.7
197.13396	0.6
201.12691	0.4
206.11829	2.5
209.13332	0.7
221.15424	1.4
222.15907	0.5
224.12817	41.2
225.12897	0.6
233.15312	0.7
234.15851	0.6
244.07344	41.0
272.06906	0.5
273.18521	0.6
286.08286	0.6
291.19571	0.7
304.09439	40.4
305.10052	0.5
313.27359	0.9
357.30426	0.5
378.13446	0.6
503.23050	0.5
538.33282	1.1
556.33649	2.1
598.34869	5.2
616.35889	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
54.38024	1.1
55.01876	3.5
59.44710	0.9
65.03948	2.3
71.48438	1.4
75.04471	5.7
78.04703	2.6
79.05488	3.6
81.03410	1.6
85.02892	5.6
89.03913	1.3
91.05485	15.0
93.03417	16.0
93.07053	6.3
95.04978	5.9
97.06555	3.0
103.05469	10.3
105.07045	13.1
106.04175	33.4
107.04973	3.1
107.37331	1.0
109.06516	1.1
111.04400	1.1
115.05465	2.9
117.03386	1.5
118.04130	2.4
119.04955	1.3
121.06519	31.8
123.04468	1.6
125.06004	10.5
131.04942	3.9
133.06500	13.8
134.03690	3.2
135.04401	1.3
137.05997	4.2
138.06758	1.1
139.07584	3.0
145.02882	1.5
148.05222	5.1
149.05998	53.3
150.06424	1.3
151.07558	2.8
153.01776	2.0
153.09108	14.5
161.05994	25.6
163.03940	2.6
163.07571	6.3
166.06310	1.5
167.07085	2.5
177.05482	26.2
181.08614	21.9
183.01120	1.1
191.07022	23.1
191.08604	1.7
193.08632	24.4
209.08107	100.0
210.84203	1.0
217.11417	1.0
347.66214	1.1
381.98087	1.0
506.82355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49408	1.2
53.03957	3.1
55.01872	2.1
55.05520	21.2
57.03435	4.8
57.07080	6.4
65.03950	1.9
67.05508	42.1
68.05856	1.5
69.06727	2.3
69.07074	22.2
71.05002	2.5
71.08640	3.4
79.05498	24.8
79.05970	1.3
81.07061	54.5
83.04975	1.7
83.08630	12.4
85.06524	1.8
85.10165	1.3
89.06056	4.1
91.05495	20.9
91.69410	1.2
93.07048	31.1
95.04985	2.7
95.08615	44.3
97.06519	4.1
97.07111	1.8
97.10150	7.9
98.20765	4.8
99.08099	1.9
105.07030	21.0
106.63261	1.2
107.08595	23.9
107.09222	1.3
109.06561	1.4
109.10165	19.6
111.08083	1.6
111.11757	2.5
111.16838	1.3
115.98654	1.3
117.07061	4.4
119.08589	19.9
121.10158	15.9
123.11715	8.1
129.07033	3.2
131.08601	11.6
131.76613	1.3
133.08638	2.1
133.10149	14.3
135.11694	14.4
137.13271	1.6
143.08607	4.2
145.10139	9.9
147.11710	9.7
149.13260	7.4
151.14833	2.8
157.10139	3.7
159.11708	9.8
161.13202	7.9
163.14856	4.0
169.10147	1.5
171.11703	3.2
173.13336	5.7
175.14903	6.0
177.16440	2.3
179.14342	1.3
185.13277	3.9
187.14876	3.8
189.16379	2.6
199.15004	1.4
201.16516	2.2
205.19589	1.7
219.21169	3.1
229.19676	1.7
233.22762	1.9
241.19746	2.4
243.21338	2.7
245.22783	1.8
259.20795	3.8
261.22043	8.8
263.23734	1.7
275.20163	3.0
317.24789	1.7
333.24478	2.4
335.25769	7.4
337.27426	8.6
339.29169	3.5
351.29050	1.4
523.45575	3.6
531.40680	1.8
541.46240	1.8
597.48694	12.6
615.49957	100.0
616.50519	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01887	1.8
55.05276	2.1
55.05516	23.2
56.74258	1.1
57.03430	5.6
57.07072	8.7
65.03933	3.4
67.05505	57.4
68.19318	1.3
69.07068	27.8
69.16676	12.6
71.05006	2.3
71.08636	2.8
79.05490	29.0
81.07056	63.2
83.08620	17.3
85.06538	1.9
89.06050	2.1
89.65721	1.2
91.05482	21.8
93.07043	39.6
95.04983	2.6
95.08613	47.9
97.06525	4.7
97.10184	8.3
99.08095	2.7
105.07032	28.1
107.08597	26.0
109.06536	1.9
109.10160	21.0
111.08098	2.4
111.11730	2.1
115.11195	1.3
117.07030	7.2
119.08585	24.4
121.10144	22.9
123.11716	10.0
129.07013	3.3
131.08556	14.2
133.10143	18.5
135.11696	13.6
137.09576	1.4
137.13271	5.1
143.08611	3.0
145.10136	13.2
147.11678	13.5
149.09630	1.3
149.13225	9.0
151.14885	1.3
157.10126	3.9
159.11696	9.3
161.13268	9.0
163.11145	2.3
163.14838	4.4
171.11681	3.0
173.13266	6.0
175.14827	4.5
177.16388	3.3
183.11705	1.4
185.13274	3.1
187.14853	4.4
189.16425	3.3
191.18065	1.8
199.14856	1.7
201.16420	2.6
205.15765	1.6
205.19557	1.6
229.19817	1.6
231.21111	2.6
233.22696	1.4
243.21101	4.2
247.20586	2.1
247.24246	2.1
259.20660	4.5
261.22119	10.1
263.23810	1.7
273.22311	1.5
285.22128	1.5
287.23654	1.6
289.25345	1.5
297.24228	1.5
303.27078	1.9
317.24786	2.6
333.24380	3.2
335.25864	9.6
337.27441	13.2
339.29071	3.5
353.27121	1.6
523.44891	6.3
531.40564	1.9
541.46265	3.7
545.41229	1.5
555.14276	1.2
597.48895	13.8
615.49811	100.0
616.50238	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	615.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.8
55.01873	3.3
55.05516	20.2
57.07086	11.7
59.05004	13.3
65.03951	3.3
67.05508	31.4
69.03437	10.1
69.07075	18.2
69.07404	2.9
71.05000	3.7
73.06599	3.1
79.05488	28.0
79.05860	2.7
81.07059	40.3
83.04994	9.7
83.08618	8.4
85.06551	26.7
89.49455	2.4
91.05487	56.9
93.07050	67.7
93.20889	2.5
95.04968	15.8
95.08612	50.1
95.09180	3.6
97.06553	7.8
99.08098	4.1
103.05490	4.5
105.04581	3.8
105.07037	69.5
105.07687	4.8
107.04974	3.4
107.08600	50.1
108.05752	2.8
109.06545	10.6
109.10158	26.4
109.10759	2.9
111.08086	9.1
115.05525	3.5
117.07023	15.0
119.08591	86.9
120.08966	2.9
121.06522	7.6
121.10148	41.3
122.07323	3.1
123.04481	3.7
123.08068	48.2
123.11732	5.6
125.06024	6.6
125.09619	13.9
128.06232	5.5
129.07040	12.3
130.07835	5.5
131.08568	36.8
131.09425	3.5
133.06532	6.2
133.10130	56.0
135.08066	18.1
135.11705	21.8
137.09645	16.5
139.07544	3.0
141.07028	7.3
142.07819	9.7
143.08549	23.0
144.09320	5.2
145.10143	48.3
147.08061	23.8
147.11684	21.4
149.09631	13.3
149.13298	4.6
151.07555	59.6
151.08675	4.7
151.11183	13.5
154.07858	3.3
155.08649	10.6
156.09393	10.3
157.10123	32.4
158.10965	4.6
159.08092	3.6
159.11699	33.4
160.08864	3.0
161.09647	17.5
161.13324	10.6
163.11182	15.4
165.07016	5.8
165.09126	41.0
165.12787	5.4
167.08606	6.7
169.10191	17.2
170.10925	5.3
171.11674	17.5
172.12500	3.2
173.09674	9.4
173.13277	22.4
175.11263	8.8
175.14854	20.4
177.09206	5.1
177.12819	2.7
179.08678	6.8
179.10794	4.9
180.09357	3.0
181.10202	7.1
181.12300	11.5
182.11087	5.3
183.11742	19.3
184.12546	3.1
185.13261	12.7
187.11252	7.7
187.14870	5.7
189.12770	16.3
191.10829	2.8
191.14377	8.4
193.10208	8.2
193.12292	7.2
194.11017	2.6
195.11774	11.1
196.12489	5.0
197.13280	15.1
199.11206	4.0
199.14885	8.1
201.12775	8.2
201.16371	5.2
203.14340	18.9
205.10219	2.8
206.10886	3.4
207.11777	6.5
207.13878	19.6
208.12558	4.0
209.13316	15.6
211.11612	3.5
211.13367	9.4
211.15010	7.0
213.16437	3.4
217.15889	3.5
219.11862	4.2
219.17500	3.1
220.12521	4.3
221.13277	9.1
221.15352	100.0
223.14932	5.1
223.17035	11.7
225.12828	3.0
227.14339	6.2
229.15948	2.7
233.15532	3.6
235.14781	5.4
237.16515	3.8
246.14009	3.7
247.17058	5.3
251.16527	10.7
259.14825	3.0
263.18036	4.3
271.16971	3.2
283.20706	6.0
286.19293	4.1
287.20355	5.4
299.20197	9.0
331.23315	3.3
375.27295	6.1
403.29794	3.9
439.31918	5.7
491.35416	10.3
504.35349	2.7
523.36090	2.4
565.40491	6.4
583.41504	24.7
597.43176	10.8
615.44263	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01866	2.8
55.05513	28.8
57.07085	23.0
59.05010	23.5
63.26238	2.7
65.03948	3.8
67.05515	36.9
69.03435	8.1
69.07075	19.7
69.13577	28.5
69.13972	6.5
71.04999	3.0
72.04504	2.6
79.05500	38.6
81.07066	58.4
83.05002	20.8
83.08627	11.4
83.95520	3.2
85.06551	34.5
85.10188	3.7
87.97456	2.8
89.06044	3.6
91.05492	48.4
93.07050	63.2
95.04993	19.9
95.08619	46.2
97.06538	16.1
97.10181	4.6
99.08096	3.5
103.05469	3.8
105.07040	73.3
107.04987	5.9
107.08609	51.5
109.06517	16.4
109.10175	25.5
111.08099	5.8
111.76983	2.9
117.07030	20.6
119.08591	88.5
121.06568	8.2
121.10150	34.4
123.08061	27.9
123.11731	8.3
125.05999	29.2
125.09650	19.0
128.06218	8.8
129.07016	14.0
130.07793	4.5
131.08592	37.1
133.06557	7.5
133.08647	3.6
133.10138	62.4
135.08073	13.3
135.11699	22.9
137.06055	4.0
137.09621	16.3
139.07549	3.3
141.06982	4.6
142.07800	12.1
143.08563	24.4
144.09279	2.9
145.06563	3.3
145.10126	52.7
146.62270	3.0
146.77716	2.6
147.08046	26.9
147.11749	17.9
149.09665	14.3
149.13297	4.1
151.07562	29.0
151.11205	10.6
153.07010	5.8
153.09096	4.7
155.08629	9.2
156.09372	8.6
157.10146	32.3
158.10939	3.5
159.08076	7.0
159.11707	28.9
161.09636	16.3
161.13309	10.5
163.11192	50.4
165.06996	4.8
165.09125	36.2
167.08580	6.7
168.09363	5.7
169.10155	10.4
170.10854	4.3
171.08081	4.1
171.11722	20.0
173.09705	5.6
173.13266	17.9
175.11189	7.9
175.14815	15.4
177.12776	3.4
179.08650	4.6
179.14368	3.6
181.10207	8.9
181.12271	54.5
182.10936	7.5
183.11671	15.5
183.14014	3.4
185.09714	4.6
185.13313	12.0
187.11322	3.5
187.14894	9.4
189.12828	14.2
191.14304	5.6
193.10210	5.7
193.12157	6.9
194.10930	5.1
195.10197	3.3
195.11731	13.6
196.12508	3.3
197.13298	14.6
199.14897	7.2
201.12672	3.4
201.16473	7.0
203.14369	14.5
205.10109	3.8
207.11850	6.3
207.13867	11.6
209.13345	12.2
209.15329	4.3
210.13953	3.4
211.13326	12.5
213.12782	4.3
215.14291	4.2
217.15903	3.7
221.13403	5.5
221.15370	85.0
222.13986	4.4
223.14973	6.6
223.16983	6.4
225.12733	3.5
235.14922	4.5
237.12646	3.9
237.16470	5.5
247.17014	5.7
249.16467	4.5
251.16504	10.0
257.19049	4.6
259.20673	3.7
271.16925	6.3
275.20227	13.4
286.19333	5.9
287.20084	8.3
291.19604	8.5
299.20169	5.5
308.29694	3.4
319.22830	3.6
329.21329	3.9
341.30634	4.5
361.78610	3.7
409.27740	3.3
455.01083	3.0
463.31747	3.5
491.35031	3.9
515.01489	3.5
583.41705	19.3
615.43915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.05510	21.9
56.41529	2.7
57.03430	3.9
57.07081	15.9
59.05009	16.4
61.27085	2.3
65.03943	3.1
67.05508	43.3
69.03432	14.9
69.07069	15.9
70.06683	10.9
71.05003	4.2
73.06555	6.4
73.33359	2.6
76.95248	3.2
79.05497	35.8
81.03413	6.3
81.07059	46.4
83.04973	9.8
83.08627	10.4
85.06542	16.5
87.14695	2.7
89.06046	6.3
91.05482	58.3
93.07049	77.4
93.07644	4.1
93.87638	2.6
95.04974	17.6
95.08611	53.4
97.06539	10.3
97.10155	4.6
98.20804	2.8
99.08138	5.3
103.05457	6.8
105.04564	5.3
105.07037	75.9
107.04939	4.5
107.08595	54.8
109.06532	15.6
109.10158	33.4
111.08101	10.9
115.05487	3.1
117.07008	24.5
119.08588	99.1
121.06520	14.8
121.10149	44.7
122.07317	5.3
123.04496	3.0
123.08068	49.6
123.11728	8.4
125.06018	6.6
125.09637	14.7
128.06262	7.6
129.06975	13.7
130.07808	4.5
131.08577	40.9
133.06538	5.6
133.08607	5.6
133.10139	66.4
135.07053	4.0
135.08017	18.5
135.11681	23.6
137.09634	22.2
139.11194	3.4
141.07021	6.0
142.07793	15.2
143.08557	26.1
144.09383	10.9
145.10124	42.6
147.08034	23.2
147.11674	19.9
149.09642	19.9
149.13289	3.3
151.07552	54.7
151.11224	13.2
154.07747	4.1
155.08646	12.7
156.09407	12.4
157.10150	38.4
158.10956	5.1
159.08113	4.8
159.11685	32.6
161.09612	17.9
161.13297	9.6
163.11211	20.0
165.07013	5.4
165.09122	36.9
165.12825	4.3
167.08607	5.6
168.09401	4.7
169.10136	22.0
170.10831	4.2
171.11732	20.3
173.09706	8.7
173.13266	24.5
174.10338	4.4
175.11253	11.3
175.14825	22.8
177.09227	3.3
177.12822	4.9
179.08568	4.8
181.10120	15.5
181.12279	11.0
182.10951	8.1
183.11703	18.9
185.13318	10.1
187.11208	6.8
187.14905	10.0
189.12788	15.7
191.08730	3.2
191.10432	3.2
191.14349	5.6
193.10149	8.0
193.12149	7.1
193.15987	3.1
194.10844	5.1
195.11732	14.1
196.12492	7.1
197.13312	15.8
199.11353	5.1
199.14867	6.9
201.12743	4.3
201.16470	7.5
203.14319	22.8
205.10246	4.7
207.11783	7.3
207.13875	20.4
209.13339	13.1
211.11424	3.7
211.13304	9.1
211.15013	6.8
213.12730	4.2
215.14352	4.3
219.11705	5.7
219.13823	3.3
219.17551	3.5
221.13295	11.4
221.15350	97.7
222.13844	3.0
223.14911	7.3
223.17062	13.0
225.12823	3.4
225.16432	5.8
227.14270	3.3
233.13327	4.3
233.15457	4.3
235.14925	8.7
239.18018	4.4
245.13338	3.3
247.14795	7.0
247.17090	7.5
249.16432	4.5
251.16426	7.7
273.18738	4.4
281.19351	4.0
283.20663	4.4
286.19180	3.9
287.20349	6.7
291.19482	5.1
299.20273	7.1
375.27127	8.6
403.29755	3.6
439.31775	4.0
491.34979	13.8
505.36646	2.8
543.00281	3.1
583.41687	25.3
597.42749	10.4
615.44122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.1
57.03452	5.1
57.07083	24.2
59.04991	5.2
59.22465	4.8
65.33301	4.3
67.05510	40.1
69.03421	11.6
69.07059	16.0
71.08624	6.3
71.22815	6.3
73.52171	4.5
79.05506	35.5
81.07077	53.0
82.07368	6.8
83.04977	9.5
83.06194	4.4
83.08610	13.5
83.62018	4.4
85.06532	8.0
85.10143	4.9
86.81794	4.6
89.06033	43.2
91.05499	43.7
93.07056	41.8
95.04973	28.6
95.08605	38.1
97.06556	13.0
102.88737	4.5
105.07039	49.4
107.04949	11.0
107.08601	35.7
109.06509	29.1
109.10156	18.8
117.07009	12.1
117.58559	4.8
119.08595	49.7
120.08981	4.5
121.06517	17.4
121.10146	26.7
122.07162	5.3
123.08089	27.0
125.05997	14.5
125.09627	5.5
129.07027	10.4
130.07819	5.2
131.08571	35.3
133.06483	6.6
133.08594	20.6
133.10130	33.9
135.08054	21.3
135.11711	9.6
137.09599	11.8
142.07773	9.6
143.08556	23.8
145.10143	42.1
146.10448	5.6
147.08044	31.0
147.11728	13.0
149.09627	14.0
151.07544	27.4
155.08568	8.6
156.09366	9.9
157.10184	27.3
159.08076	7.3
159.11719	22.3
161.09648	13.0
161.13362	8.3
163.11217	22.4
165.09155	37.7
169.10170	11.8
171.11707	19.1
173.09625	8.9
175.11208	11.7
177.11264	8.8
179.08479	6.5
179.14372	7.3
181.10127	4.7
181.12274	32.2
183.11732	7.1
185.09529	5.3
185.13313	7.3
187.11156	6.4
189.12625	9.6
195.11748	9.7
197.13362	11.4
199.11235	11.3
203.14308	21.8
206.10948	5.5
207.11679	6.3
207.13794	13.1
209.13361	7.4
215.14267	6.0
221.13393	8.2
221.15373	62.6
247.17212	8.5
249.14845	9.0
271.16913	7.3
273.18649	6.7
275.20032	13.8
286.19370	7.4
287.20068	7.4
293.21201	7.0
312.20886	13.3
366.25427	6.2
381.59094	5.0
407.25864	8.6
415.25046	6.8
546.24554	5.2
615.40216	100.0
615.48859	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01876	13.3
55.05516	22.8
57.03436	11.4
57.07056	2.3
57.62007	1.5
59.04981	2.4
64.62924	1.6
65.03944	3.5
67.05510	29.7
69.03423	3.9
69.07071	10.8
71.04977	3.4
72.46500	1.6
79.05496	42.4
79.22197	1.7
81.03401	4.8
81.06593	3.6
81.07060	62.8
83.04973	9.7
83.08631	10.2
85.06540	7.2
91.05482	39.5
93.07047	33.3
93.10049	1.6
95.04986	20.8
95.08615	15.9
97.06541	4.9
97.10162	11.7
99.04450	3.0
103.05473	2.9
105.04493	2.7
105.07040	27.3
107.04969	12.2
107.08598	26.1
109.02898	2.1
109.05801	3.1
109.06520	40.6
109.10160	11.7
111.04454	7.8
111.08076	5.9
113.05993	10.1
115.05438	5.0
116.22952	1.6
117.07019	23.1
119.04996	2.0
119.08581	28.1
120.08121	1.8
121.06503	8.7
121.10161	17.5
123.04451	3.2
123.08096	12.5
123.11674	2.0
125.06011	3.8
125.09657	8.5
128.06223	4.2
129.06996	7.8
130.07880	2.2
131.08580	19.3
133.06491	5.2
133.10101	15.5
135.08066	34.2
135.11687	7.3
137.09627	4.0
141.06960	3.8
142.07768	2.1
143.08572	12.1
145.06499	5.0
145.10135	19.9
146.09627	4.6
147.08061	14.3
147.11690	6.0
149.06081	1.8
149.09642	9.1
150.41321	1.9
151.07555	3.6
153.09126	3.5
153.12730	2.0
155.08542	6.0
156.09392	2.0
157.10103	12.1
159.08096	8.2
159.11737	8.2
161.09630	13.3
161.13297	2.7
163.07526	5.2
163.11264	8.3
165.06900	2.2
165.09117	7.2
167.08624	2.5
167.10727	4.0
169.10112	5.4
171.11694	8.7
173.09592	5.7
173.13290	4.2
174.84267	1.7
175.11221	4.9
175.14760	2.0
177.09113	2.0
177.12726	2.5
178.12279	2.1
179.10641	4.2
181.10027	2.2
181.12241	7.0
183.11691	4.9
185.09532	2.6
185.13287	4.1
187.11183	3.3
189.09230	2.1
189.11252	5.3
189.12753	2.2
191.10606	3.9
193.10121	1.9
193.12285	3.3
195.11623	4.7
195.13565	1.7
196.13330	3.7
197.13416	3.2
199.11305	2.5
199.14853	2.8
201.12807	3.0
203.14268	2.9
205.12381	1.8
207.13841	3.3
213.12883	2.0
215.14355	1.8
217.15854	7.3
221.15434	10.6
223.13284	3.7
227.12675	2.4
227.17978	2.6
233.15494	3.8
236.11897	2.1
243.17467	3.3
245.19037	3.6
249.14676	2.3
255.17403	3.6
261.18597	3.2
271.16934	6.4
273.15894	3.2
273.18552	40.4
276.09891	3.6
289.17990	29.6
291.19556	100.0
307.19037	4.1
309.20602	3.4
359.60056	2.0
365.52109	1.8
510.44986	2.1
615.40698	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	615.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77487	1.1
51.02388	1.0
52.04731	1.0
53.03942	6.7
55.01876	8.9
55.05280	1.2
55.05515	18.1
57.03436	2.2
57.07069	1.4
59.04990	2.1
61.06476	1.0
65.03947	2.6
67.05182	1.6
67.05508	19.1
69.03413	4.4
69.07070	7.7
69.93183	3.0
69.93581	2.5
71.04992	1.6
79.05499	43.7
81.03435	7.5
81.07061	82.6
83.04975	8.6
83.08628	9.8
85.02897	3.7
85.06529	1.5
91.05483	27.0
93.06494	1.7
93.07047	22.0
95.04980	16.6
95.08164	1.0
95.08619	11.1
97.06525	3.1
97.10167	8.4
99.04458	1.7
101.00660	1.0
103.05440	2.1
105.03404	2.2
105.06332	1.1
105.07037	21.6
107.04961	11.0
107.08597	14.3
109.02863	1.1
109.06522	27.7
109.10182	6.4
109.16591	1.0
111.04472	5.1
111.08076	3.7
113.06066	1.2
115.05453	1.9
117.06231	1.7
117.07027	20.4
119.04920	2.4
119.08590	35.8
121.06510	12.0
121.10155	11.1
122.04249	1.1
123.04398	2.0
123.08074	4.2
125.05991	1.1
125.09615	8.1
128.06288	1.7
129.07019	9.0
131.08591	11.0
133.06516	5.3
133.10133	10.7
135.08080	10.4
135.11688	5.0
137.09613	4.5
141.06981	1.5
142.07796	2.1
143.08562	8.1
144.09297	1.1
145.06471	2.1
145.10143	17.7
147.08058	20.0
147.11664	4.2
149.09647	5.9
151.40608	1.0
153.09140	1.2
153.12686	1.7
155.08629	2.5
157.10146	8.5
159.08035	6.4
159.11697	5.1
161.09644	14.1
163.07498	2.1
163.11154	7.5
165.09143	3.0
169.10176	2.5
171.08060	1.2
171.10262	1.2
171.11684	3.5
173.09622	4.2
173.11826	1.6
173.13181	2.6
173.38574	1.0
175.11128	3.7
175.14905	1.3
177.12738	1.4
181.10083	1.7
181.12184	3.4
183.11832	1.5
185.09627	2.0
185.13208	3.0
187.11198	2.2
189.11203	7.3
189.12762	2.2
191.10681	2.0
193.12289	5.5
195.11729	2.3
197.13303	1.6
199.11218	1.6
199.14725	1.3
201.12842	1.6
203.14479	1.4
204.44887	1.1
213.12752	1.9
221.15349	1.8
223.13240	4.4
227.12759	1.9
227.17986	1.2
237.16579	1.3
245.18996	4.3
249.14857	7.1
255.17419	4.6
271.17026	2.8
273.18509	59.7
289.18018	15.0
291.19559	100.0
292.19812	1.4
307.18979	2.9
501.02118	1.1
579.36853	2.1
597.38000	6.1
615.39728	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01862	8.6
55.05511	36.4
57.03428	19.4
57.07067	19.6
59.04995	6.0
62.28281	4.1
65.03950	8.6
67.05175	8.2
67.05509	90.4
69.03436	18.8
69.07074	42.7
69.24830	4.0
71.04984	5.8
71.30723	4.5
75.04477	8.0
79.05496	61.3
80.05841	6.6
81.03415	70.2
81.07059	100.0
82.07399	5.8
83.04980	15.0
83.08618	38.3
85.06538	18.0
89.06044	46.5
91.05476	75.9
93.07051	61.3
95.04980	49.7
95.08613	63.3
96.08932	5.9
97.06531	20.5
97.10169	17.5
98.21572	7.3
100.49900	5.3
105.07034	73.8
105.69247	5.1
107.04968	14.7
107.08591	50.0
109.06516	18.5
109.10152	24.4
111.08076	14.0
115.05466	7.9
117.07015	22.5
119.08586	71.6
121.06471	14.0
121.10165	36.2
123.08067	26.2
123.11721	12.7
125.06013	12.0
125.09641	14.1
128.06223	9.1
129.07024	26.9
131.08583	45.2
133.06520	6.9
133.08578	31.9
133.10106	38.8
134.10448	5.4
135.08076	35.8
135.11711	17.0
135.52319	4.5
137.09639	12.7
142.07759	14.7
143.08565	37.3
145.06546	7.5
145.10115	49.4
147.08044	15.9
147.11673	25.2
148.08818	8.6
149.09642	16.6
151.07500	6.0
151.11163	7.6
155.08574	14.7
156.09338	11.8
157.10109	37.9
158.10794	6.0
159.08076	7.9
159.11685	25.7
161.09665	15.8
161.13228	8.6
163.11249	25.3
165.09135	11.4
169.10138	20.7
171.08180	7.7
171.11713	17.5
173.09641	12.2
173.13319	9.1
175.11214	16.5
175.14883	11.5
177.11246	11.7
179.08463	5.5
179.14287	6.6
181.10143	14.0
181.12209	18.8
182.10945	5.8
183.11690	19.8
185.13307	16.4
187.14880	8.6
189.12758	6.5
192.09428	5.9
193.10330	10.7
193.12236	27.4
194.10930	5.5
195.11720	13.8
197.09602	4.9
197.13333	11.1
199.11206	13.5
199.14799	8.0
203.14368	9.8
206.10838	6.0
207.11804	10.3
209.09666	6.1
209.13315	9.5
211.11272	8.1
211.14857	7.7
212.63968	5.7
213.12891	10.0
221.13551	9.4
221.15396	20.1
225.12744	6.3
233.13370	7.1
237.12979	7.6
253.15927	6.2
256.64243	5.4
260.02823	6.5
265.15677	5.1
267.15921	79.6
273.18488	18.7
275.20364	9.3
281.18777	7.2
286.19263	8.0
299.19971	6.5
305.17444	8.4
328.03241	4.8
331.18973	6.6
337.27365	73.5
339.19583	11.0
352.23978	39.9
354.21796	18.5
384.22858	17.8
415.25320	13.1
434.27914	9.6
476.29056	17.2
522.34088	6.3
529.38910	53.6
534.32941	30.0
547.40015	23.9
614.39618	46.2
614.48212	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	614.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46607	0.7
55.01875	2.0
55.05504	3.4
56.05018	0.8
57.03436	1.0
57.07076	1.5
57.98795	0.9
58.99591	19.9
60.03764	0.8
65.03949	1.0
67.05516	11.6
69.07080	5.0
71.47929	1.5
76.02235	81.9
76.04016	2.5
78.86361	0.7
79.05490	8.8
81.03406	1.6
81.07060	12.3
83.04982	2.8
83.06103	2.6
83.08620	2.9
83.09229	0.7
84.04507	12.0
85.06573	0.9
86.99046	5.1
88.02229	1.6
91.05488	8.7
93.07045	11.0
95.04971	3.0
95.08609	8.0
96.04517	0.9
97.06496	1.4
97.10208	1.2
99.05523	0.9
105.07040	11.6
107.04974	3.3
107.08598	6.7
108.30136	0.8
109.06518	5.2
109.10192	4.3
114.03751	1.1
116.01687	23.6
117.07022	3.3
119.08585	5.5
121.06528	4.7
121.10155	4.8
123.08073	2.7
123.11737	1.3
124.02170	1.0
125.09619	1.1
126.08845	0.8
129.06741	2.5
130.05032	5.6
131.08578	7.0
133.06508	2.1
133.10135	7.1
135.08052	2.2
135.11696	2.1
141.04785	1.0
142.03226	8.3
143.08516	1.8
144.01172	12.9
145.06247	0.8
145.10121	5.9
147.08075	1.5
147.11717	6.7
149.09633	2.5
151.11180	2.1
157.10168	2.4
159.08060	1.1
159.11714	4.2
161.09708	1.6
161.13255	1.7
162.02219	45.0
163.11229	3.2
170.02725	2.6
171.11691	1.3
173.09734	1.2
173.13289	2.8
175.11108	1.1
177.12843	1.1
179.04872	100.0
183.11629	1.0
187.05359	3.4
187.14752	1.0
189.12758	0.8
191.14293	1.2
201.12694	0.9
204.15138	1.0
207.13861	2.8
213.08653	0.9
215.04886	2.5
219.14064	1.3
229.19435	1.1
233.05931	16.9
245.05936	4.4
247.20584	1.4
255.17461	1.1
257.19003	5.1
273.18530	2.1
275.20090	25.4
289.21564	1.1
290.08008	1.4
291.06534	2.6
305.21219	5.2
307.22681	32.5
308.09116	31.6
350.40646	1.0
365.21658	0.9
382.24237	5.7
395.35373	0.8
467.25882	5.1
473.28912	2.3
485.26053	0.9
500.92355	0.9
539.27881	7.8
596.29736	1.0
614.31104	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.78604	1.4
53.03941	1.9
54.70332	1.2
55.01878	2.0
55.05514	18.7
57.03426	4.8
57.07070	3.7
58.67577	1.2
65.03947	4.0
67.05506	51.6
69.07066	20.3
69.16685	6.6
69.17106	6.0
71.04995	1.3
75.19652	1.3
79.05072	2.2
79.05495	27.5
81.07057	60.3
81.07537	3.2
83.08620	11.4
84.95377	1.3
85.06561	1.8
91.05485	27.0
93.07044	35.6
95.04959	1.8
95.08611	48.7
97.06542	2.4
97.10155	6.1
99.08042	1.8
100.25967	1.2
103.05495	1.2
105.07032	28.6
107.08597	24.7
109.10152	24.7
110.47755	1.2
111.08084	1.8
115.05409	2.0
117.06980	8.1
119.08566	22.0
121.10133	22.3
123.08070	2.0
123.11702	11.4
125.09672	1.6
128.06216	1.3
129.07018	4.6
131.08554	20.5
133.10135	21.4
135.11691	19.3
137.13281	2.2
143.08586	7.1
145.10136	17.3
147.11705	17.3
149.13283	7.5
151.11072	1.6
155.08540	2.1
157.10133	5.1
159.11696	16.3
161.13260	11.8
163.11250	1.3
163.14839	4.3
165.16382	1.3
169.10179	2.6
171.11740	5.9
173.13290	11.3
175.14868	5.5
177.16373	2.0
183.11826	1.6
185.13309	5.4
187.14854	8.0
189.16414	2.0
191.17973	1.8
197.13315	2.2
199.14822	3.6
201.16443	3.4
203.17973	1.5
213.16457	3.1
215.17976	2.1
217.19583	1.6
225.16417	2.1
229.19360	1.4
241.19781	3.0
243.21280	1.6
259.20609	9.9
261.22144	10.4
277.21805	2.0
281.21301	1.2
299.23526	1.4
317.24875	1.9
333.24329	4.2
335.25778	14.3
337.27429	9.1
434.31927	1.3
489.35678	2.4
521.43677	5.4
539.44702	2.2
553.18414	1.5
595.47253	12.3
613.48279	100.0
614.48645	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02371	1.5
53.03946	3.7
55.05276	1.6
55.05515	19.1
57.03433	7.0
57.07076	3.7
65.03936	2.1
67.05508	54.5
69.07070	18.7
71.04996	1.7
79.05496	31.2
81.07060	57.8
83.04990	1.9
83.08615	8.7
87.95913	1.3
89.93664	1.4
91.05482	27.3
93.07048	39.0
95.04974	1.8
95.08609	47.8
97.06532	4.0
97.10150	6.3
98.20761	3.9
105.07030	29.2
105.07697	1.9
107.08599	27.4
109.10157	21.7
115.05486	1.5
117.06999	9.9
119.08578	26.0
119.09372	1.7
121.10152	22.2
123.11728	9.6
125.09644	1.5
128.06253	1.6
129.07005	6.7
131.08572	18.8
133.10135	21.8
135.11711	15.1
137.12277	1.2
137.13295	3.4
143.08578	6.7
145.10135	20.1
147.11703	15.8
149.09700	1.8
149.13257	10.6
152.76010	1.2
155.08565	1.9
157.10107	6.1
159.11702	16.5
161.13289	13.9
163.11101	1.5
163.14853	5.3
169.10159	2.9
171.11728	7.5
173.13287	12.4
175.14893	5.5
177.16429	1.7
183.11732	1.9
185.13261	5.2
187.14850	6.5
189.16425	2.4
191.14310	1.4
197.13275	2.4
199.14844	3.0
201.16402	5.1
211.14819	1.3
213.14661	1.3
213.16496	3.0
215.17918	1.9
217.19487	1.5
229.44679	1.2
231.21165	2.3
241.19620	4.1
243.21091	2.5
259.20593	7.7
261.22189	11.9
273.22177	1.8
299.23737	1.5
313.25562	1.4
323.26254	1.3
327.26749	1.7
333.24280	4.6
335.25806	15.1
337.27438	11.1
411.32782	1.5
442.08478	1.5
489.36133	1.3
517.38263	1.8
519.24298	1.5
521.43677	6.0
531.39789	1.4
539.45105	2.9
595.46973	10.0
613.48303	100.0
614.48529	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01881	9.8
55.05519	23.2
57.03440	5.8
57.07072	3.3
59.90697	1.3
65.03944	3.3
67.05512	31.3
67.07899	1.2
69.03422	2.5
69.07080	13.2
69.79734	5.6
71.04997	2.0
71.08643	1.4
74.03483	1.0
79.05503	39.1
79.05978	1.8
81.03437	8.4
81.07063	55.0
83.04993	10.3
83.08619	8.6
85.06542	2.3
85.10221	1.5
91.05489	32.7
93.06483	2.2
93.07051	28.2
95.04984	10.8
95.08617	16.9
97.02885	4.7
97.06541	5.8
97.10168	5.7
99.08121	1.3
103.05442	3.1
105.04508	2.0
105.07046	27.1
107.04964	23.6
107.08606	19.5
109.02897	10.0
109.06532	20.0
109.10157	8.6
111.04455	4.9
111.08072	4.0
115.05468	5.3
117.07038	17.4
119.04964	2.9
119.08591	23.5
121.02881	3.2
121.06512	9.8
121.10163	7.3
123.04437	4.5
123.08080	6.8
125.09638	4.3
128.06253	3.7
129.06995	7.8
130.07841	1.3
131.08575	15.6
133.06465	6.5
133.10144	14.8
135.08067	24.6
135.11685	5.4
137.06004	3.2
137.09647	10.3
141.07098	1.4
142.07811	2.0
143.08595	9.5
145.06494	9.2
145.10135	12.3
146.07277	1.3
147.04369	2.2
147.08083	7.6
147.11674	4.3
149.06015	1.7
149.09621	6.5
151.07570	2.5
151.11131	3.0
153.09109	8.1
153.12764	1.4
155.08586	5.1
157.10156	7.5
159.08080	16.0
159.11697	4.6
161.06013	1.6
161.09645	13.9
161.13254	2.0
163.07558	19.8
163.09985	1.3
163.11171	6.4
163.66887	1.2
165.07028	1.5
165.09138	3.1
167.10779	1.3
169.10152	5.2
171.08078	3.8
171.11705	4.1
173.09756	7.3
173.10971	1.7
173.13300	2.8
175.11203	5.3
177.09131	3.9
177.12767	3.6
179.10693	11.6
181.10155	1.8
181.12187	1.4
183.11665	3.0
185.09660	1.3
185.13287	2.4
187.11191	3.5
187.14774	2.2
189.09062	3.1
189.11148	3.3
191.10695	4.0
193.12245	16.1
197.09514	2.2
197.13245	2.7
199.11293	1.4
201.12759	1.4
205.15866	2.1
207.11812	1.8
211.14865	2.0
215.14386	2.0
215.17929	1.6
221.11807	5.8
221.15363	1.9
225.11131	1.8
225.16415	3.6
227.12697	1.9
233.15364	5.6
235.15021	1.7
243.17473	12.2
250.32872	1.2
253.15889	4.5
256.15536	1.3
261.18539	13.0
271.16946	26.7
289.18015	100.0
290.18417	1.6
301.14215	2.6
307.19009	7.8
357.40869	1.2
398.18784	1.5
595.36481	3.7
613.41437	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	613.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01889	0.8
55.05510	2.1
57.03432	1.0
65.03935	0.8
67.05518	3.7
68.05868	0.8
69.07069	1.3
71.49581	1.0
79.05491	3.8
81.03408	1.0
81.07055	5.1
83.04974	1.6
83.08614	1.2
85.06576	0.6
91.05478	3.6
93.07049	5.3
95.04987	1.6
95.08615	3.7
102.69334	0.6
105.07056	4.8
107.04983	1.3
107.08585	2.6
109.06536	2.5
109.10174	2.0
117.07018	1.2
119.08571	3.6
119.45451	0.6
120.08099	3.2
121.06470	1.1
121.08470	1.4
121.10153	2.5
123.08057	1.2
124.99987	1.3
129.07056	1.2
131.08595	2.0
133.06497	0.5
133.10149	2.6
135.08090	0.7
135.11743	1.1
136.06017	0.8
143.08597	1.4
145.10139	2.8
146.09654	8.1
147.04424	0.9
147.08112	0.7
147.10030	3.6
149.09637	0.9
152.10616	1.0
155.08578	0.8
157.10129	1.5
159.11763	1.0
161.09599	0.8
163.11165	0.7
164.10728	2.3
165.11076	1.0
167.10693	0.8
169.10103	1.0
169.25641	0.6
171.11703	0.7
173.13356	1.1
178.12308	7.7
179.12627	3.0
181.10162	0.9
189.12801	0.7
193.12289	1.0
194.10931	0.9
195.11830	0.7
196.13344	8.5
197.13661	5.9
199.14891	0.9
274.68423	0.6
276.10013	8.3
277.10217	4.4
283.15555	0.8
289.18005	2.0
294.26227	0.7
327.55475	0.6
353.17865	0.7
367.15131	0.9
367.19269	1.6
372.40894	0.6
379.15408	1.0
380.16260	0.9
381.16849	3.2
395.18665	4.5
396.19684	3.9
397.20004	1.0
409.16153	1.6
409.21011	1.0
410.21341	1.0
411.21954	3.3
423.17715	3.3
423.22940	1.2
424.19046	4.1
435.73260	0.7
437.16278	2.5
438.20670	2.7
439.21420	5.7
449.20187	1.0
451.17355	5.6
452.18530	1.8
465.19241	1.7
466.19687	4.0
467.20673	3.0
478.29083	1.2
479.21075	2.4
482.23062	1.8
483.24176	1.1
493.22467	1.2
497.25723	1.9
510.22812	1.5
511.19711	0.9
512.24457	0.9
513.24133	0.8
521.22058	0.9
525.25134	9.1
535.23511	1.7
538.22424	2.7
539.22906	0.9
553.24524	16.5
581.23450	0.8
595.25812	1.2
595.35565	1.6
598.24811	0.7
613.26654	100.0
613.36383	6.7
614.27197	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	613.2286
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
53.03952	0.8
55.01866	1.2
58.52315	0.5
60.96691	0.5
65.03946	4.0
65.94766	0.5
66.04720	0.6
66.79102	0.5
67.05495	1.4
69.03429	0.7
69.29758	3.8
69.64880	0.5
78.04728	2.9
79.05498	2.5
81.03413	0.7
81.07059	0.8
82.04197	0.8
85.02896	2.0
91.05491	4.5
93.03404	1.3
94.04209	0.5
95.04959	2.1
97.02893	0.6
97.06525	1.5
103.05486	4.1
105.03387	0.8
105.07038	1.2
106.04166	2.1
107.04971	3.0
108.02081	0.7
109.06554	0.5
110.03642	1.1
111.04430	0.8
115.05466	5.7
117.07025	8.4
119.04939	4.2
121.06506	0.7
122.03647	0.8
123.04442	9.0
124.05203	2.1
125.05991	1.7
127.05447	1.8
129.06990	0.5
131.04951	2.5
132.05759	0.5
133.02873	1.2
133.06477	0.8
134.03641	0.9
137.05983	10.8
139.03879	0.5
142.02635	1.2
144.05679	0.6
145.06499	13.0
147.04420	4.9
147.08022	1.0
148.05232	0.9
151.03923	7.1
151.05046	0.6
151.07587	0.8
152.04716	2.1
153.05481	2.8
155.04903	0.7
155.06058	6.1
155.07191	0.8
157.06454	0.5
161.05959	1.2
163.03909	1.9
163.07545	2.0
165.05499	1.5
167.07051	100.0
168.07399	1.0
171.06531	0.6
173.05997	21.9
174.06464	0.7
175.07587	1.5
177.09151	0.5
179.07040	1.7
181.04964	37.3
187.07600	1.0
188.08269	0.7
189.08717	0.6
190.06346	0.8
191.07028	7.1
193.08524	0.8
193.94521	0.5
201.05492	0.8
203.07082	2.3
204.07849	0.7
205.08614	6.3
207.06526	0.5
209.08136	0.7
217.08711	0.5
219.10213	1.6
220.10603	1.0
225.07576	0.9
231.06548	0.9
233.08073	5.9
234.11909	0.6
235.07565	0.6
235.09700	6.5
251.07031	0.6
263.09271	0.8
267.10092	0.5
277.08765	0.5
283.09799	0.6
288.60925	0.4
293.08261	1.0
295.09650	0.5
310.08304	0.8
325.07288	0.5
325.10739	1.2
353.10184	0.7
355.12021	1.3
356.51022	0.5
357.13382	3.3
381.13821	0.5
385.12817	21.3
386.13516	0.6
387.14352	8.2
417.15485	12.8
583.21747	2.9
613.22772	42.9
614.22833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31472	0.4
53.03939	0.9
59.31952	0.4
65.03931	2.6
67.01902	0.5
67.05503	0.9
69.03426	0.8
69.51743	1.6
69.52176	1.8
77.03915	0.5
78.04712	3.4
79.05480	1.7
81.03419	1.0
81.07056	0.7
82.04198	1.4
83.04959	0.5
85.02902	2.0
91.05491	5.3
93.03397	1.3
94.04185	0.6
95.04965	1.1
97.06512	1.8
103.05474	2.8
105.03407	0.8
105.04495	0.7
106.04160	2.1
107.04978	2.6
109.06448	0.5
110.03637	0.8
111.04440	1.0
115.05456	6.3
115.74140	0.4
117.07027	9.2
119.04957	3.5
122.03658	1.0
123.04440	8.2
124.05235	2.3
125.05996	0.7
127.05444	1.0
131.04961	1.4
133.06477	0.8
134.03604	0.5
137.05994	11.9
138.03052	0.9
142.02640	1.1
143.04868	1.2
144.05811	0.5
145.05440	0.7
145.06511	12.5
147.04433	4.1
147.08052	0.9
151.03928	3.2
151.07521	0.7
152.04691	2.8
153.05435	2.2
155.06042	7.0
161.05948	1.5
163.03908	1.0
164.93591	0.5
165.05476	1.3
167.07051	100.0
168.07405	0.6
171.06589	0.8
173.05997	21.4
175.07512	0.8
179.07054	1.9
181.04970	32.8
186.79672	0.4
189.05408	0.5
191.07076	2.4
193.04633	0.6
193.08788	0.5
201.05482	1.1
203.07101	1.3
205.08600	5.3
207.06479	0.7
207.10245	0.5
221.08025	0.6
222.06805	0.5
231.06566	0.7
233.08063	6.6
234.08855	0.6
235.09645	5.8
251.07002	0.7
265.08505	0.6
279.06537	1.4
285.23059	0.5
293.08121	0.5
296.06903	0.5
325.10654	1.1
339.11697	0.5
355.11740	0.8
357.13336	4.9
385.12863	21.4
387.14407	10.6
417.15460	13.4
466.19843	0.5
583.21411	2.1
613.22809	39.1
614.23065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
53.21633	1.2
55.01878	1.5
57.03440	5.3
65.03944	3.1
65.21259	1.2
67.05519	2.0
69.03413	1.5
69.07055	1.2
70.63688	2.8
70.64011	1.5
71.05003	30.2
79.05501	3.5
81.03439	1.5
83.05006	2.2
85.02918	25.2
91.05487	8.0
91.86345	1.1
92.02634	1.2
93.03394	2.3
93.07090	1.4
94.04192	1.2
95.04993	10.1
97.06534	3.8
98.21078	1.8
103.05484	3.8
105.07035	2.0
107.04981	6.9
107.05618	1.4
115.05499	2.3
117.07034	2.4
119.04964	14.6
123.04442	25.3
129.05498	4.5
131.04944	3.7
131.08536	1.7
135.04419	1.9
137.02351	3.7
137.05978	8.1
145.06520	2.5
147.04417	18.0
147.07912	1.4
151.03932	4.3
151.07605	1.7
153.01833	16.9
153.05479	3.4
161.06024	2.6
163.03989	6.6
163.07591	1.9
165.05482	7.1
167.07071	24.0
173.06018	5.2
179.07060	1.3
181.05005	12.5
187.07657	1.9
191.07112	6.5
193.08640	2.0
205.08725	1.7
207.06517	1.5
209.08087	1.5
215.07039	2.5
217.04913	2.7
218.59822	1.2
229.05019	4.0
235.09679	1.8
245.04530	3.0
246.05368	1.6
251.07140	1.5
257.04532	1.7
273.03848	3.0
274.04703	3.6
279.06381	1.5
285.03891	2.0
299.09140	3.4
301.03445	3.8
302.04233	20.5
303.05029	59.4
315.05054	3.0
325.10834	1.7
327.04929	1.5
369.13052	1.3
385.12866	2.7
387.14377	3.5
393.13043	2.6
417.15472	2.7
418.49277	1.2
421.12891	2.5
467.09802	100.0
468.09818	2.4
613.22711	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	612.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.4
55.05519	32.0
57.03437	19.0
57.07077	10.0
62.94945	5.0
65.03944	6.6
67.05515	96.7
69.07076	31.2
69.12839	15.6
69.13261	41.5
70.07433	5.5
71.04991	6.0
71.08641	10.2
73.04771	5.7
79.05506	77.8
81.03431	73.7
81.07071	100.0
83.04975	7.0
83.08638	25.7
85.10179	8.8
91.05466	52.6
91.76716	5.8
93.07060	67.4
94.07394	5.9
95.05010	25.8
95.08624	74.1
96.08953	9.3
97.10157	15.0
105.07037	57.7
106.07373	9.5
107.04964	10.5
107.08590	39.3
108.08923	5.1
109.10189	31.4
117.07047	11.0
119.08587	47.1
121.09408	5.2
121.10114	26.5
123.11764	7.8
125.80948	4.5
129.06989	11.4
131.08592	32.7
133.10141	28.8
135.11699	20.7
143.08632	8.8
145.10143	24.4
147.11720	23.0
149.09612	5.2
149.13300	7.4
157.10129	14.8
159.11694	15.4
160.12059	8.0
161.13222	11.9
163.11273	7.8
173.13269	9.7
185.13205	8.0
189.11232	8.5
193.12299	15.3
197.13365	6.0
210.71219	5.1
227.12820	6.5
243.21040	7.1
261.22144	15.4
267.15994	82.1
334.24551	6.2
335.25900	75.4
336.26199	7.2
357.06860	5.9
435.06873	6.6
439.30496	5.4
520.97382	5.4
527.37549	40.0
545.38379	14.1
552.26166	7.6
594.26672	16.5
612.28058	91.4
612.47760	73.5
612.58374	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	612.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05492	1.7
57.03434	0.5
65.03924	1.1
67.05514	4.4
69.07066	1.3
71.49941	0.9
79.05507	2.4
80.77592	0.4
81.03416	0.5
81.07056	3.7
83.08614	0.9
91.05473	2.9
93.07047	2.4
93.94708	0.5
94.07375	0.7
95.01328	1.5
95.04951	1.1
95.08598	2.1
97.06494	0.7
98.98489	1.6
105.07012	1.4
107.08583	1.0
109.10149	0.9
117.07037	0.8
119.08583	0.7
120.08106	29.9
124.99998	8.0
131.07353	1.0
133.10120	0.8
135.11719	0.7
144.08055	0.8
145.10126	0.5
146.09647	71.0
147.04422	4.1
147.10382	0.9
147.11613	0.6
148.04773	1.3
148.07605	1.3
148.11200	0.8
149.08356	0.5
152.10715	7.6
164.10719	23.0
165.11452	1.4
166.08624	1.6
178.12274	63.9
196.13332	100.0
197.13583	0.7
226.06221	0.6
228.18539	0.5
244.07326	2.4
259.13284	3.5
260.13666	1.4
276.09964	79.7
277.10321	0.6
285.40051	0.5
335.25702	0.7
336.26175	0.9
350.13708	0.9
465.19080	0.6
466.19458	0.7
467.20468	0.6
553.24426	1.4
594.35529	8.1
612.26526	2.3
612.36548	32.5
613.26764	5.8
613.36560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
57.03424	0.5
57.56542	0.3
67.05507	1.8
69.07069	0.5
69.48710	2.0
70.58196	0.3
79.05491	1.8
80.05816	0.4
81.03401	0.3
81.07058	2.0
83.04973	0.4
83.08582	0.3
91.05476	1.2
93.07054	1.6
95.01329	0.6
95.08607	1.2
96.01681	0.3
96.08930	0.3
97.10166	0.6
98.98450	1.7
105.07026	0.9
107.04965	0.3
107.08588	0.8
109.06532	0.3
109.10146	0.4
111.89503	0.3
116.03760	0.3
117.07077	0.4
119.08595	0.5
120.08105	8.8
121.10133	0.3
125.00013	6.9
129.07036	0.3
131.07271	0.5
131.08607	0.4
135.11635	0.5
143.08553	0.4
144.08104	0.5
145.10199	0.3
146.09644	41.9
147.04364	1.7
147.10391	0.5
148.04749	0.7
148.07565	0.7
148.11176	0.5
152.10701	4.8
157.05577	0.2
161.05963	0.3
164.10703	2.7
175.07506	0.4
178.12270	48.4
179.12595	0.5
196.13336	9.3
244.07378	1.5
259.13342	1.6
260.13654	1.2
276.09949	100.0
277.10287	0.9
333.17038	0.4
335.25729	0.5
336.26193	0.9
350.13217	0.3
367.11520	0.3
381.27942	0.2
477.28299	0.5
553.24536	0.5
594.35510	1.1
612.36230	3.9
613.26544	0.5
613.36572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01874	2.3
55.05516	18.1
57.03438	6.0
57.07066	4.0
65.03942	3.2
67.05510	47.3
69.03412	1.3
69.07078	16.8
69.42014	1.3
71.04996	1.8
71.08620	1.7
71.26501	2.8
74.04633	1.4
75.61516	1.3
79.05496	38.6
79.68234	1.4
81.07062	52.3
83.04977	2.9
83.08618	9.1
91.05476	36.5
91.06014	2.0
93.07047	44.3
95.04968	4.1
95.08611	40.7
97.06556	3.5
97.10185	4.5
99.08117	2.3
105.04501	2.1
105.07032	39.3
105.60709	1.4
107.08599	25.0
109.06557	2.0
109.10152	16.5
111.08092	2.3
117.07025	17.7
119.08591	30.8
121.10145	19.4
123.11713	4.3
128.06244	2.9
129.07024	11.0
131.08572	24.9
133.10159	21.9
135.08168	1.3
135.11711	14.5
137.13271	2.1
141.06993	3.3
142.07774	3.8
143.08589	12.9
145.10126	23.4
147.11688	19.4
149.13269	6.6
155.08585	6.6
156.42319	1.4
157.10126	15.5
159.11671	18.9
161.13289	12.2
163.14825	4.2
167.08569	2.8
169.10088	9.2
171.11684	11.6
173.13321	12.2
175.14801	7.5
177.12776	1.9
181.10179	3.4
183.11691	7.8
185.13277	7.7
187.14835	8.0
189.16414	2.3
195.11719	2.1
197.13260	6.7
199.14893	8.2
201.16359	2.6
203.17868	2.0
209.13301	3.2
211.14857	6.5
211.87419	1.5
213.16463	5.0
215.17867	3.7
217.19589	1.5
223.14864	2.2
225.16551	2.2
227.18045	2.8
229.19418	2.5
239.18115	3.2
241.19650	7.5
253.19566	2.2
257.19000	3.2
259.20563	11.2
261.22250	2.9
275.20132	1.8
297.22314	1.7
303.90598	1.9
311.23660	2.0
333.24149	7.1
335.25845	15.5
339.26678	2.9
353.28625	1.6
381.31641	1.8
441.64627	1.4
519.41992	5.6
537.42810	3.2
541.38940	2.0
593.45343	8.3
611.46686	100.0
611.54584	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01873	2.5
55.05515	16.3
57.03455	3.8
57.03696	0.8
57.07067	5.3
65.03931	2.2
67.05511	32.1
69.07079	13.1
69.48203	5.2
71.05002	1.5
71.08633	2.7
77.67851	0.6
78.33921	0.8
79.05501	23.2
80.05832	0.8
81.03419	1.8
81.07062	31.3
83.04996	2.2
83.08624	7.1
85.06544	2.2
91.05476	17.3
93.07050	22.0
95.04984	2.1
95.07997	1.5
95.08612	23.5
97.06546	2.7
97.10188	3.8
99.08105	1.6
103.05481	1.1
104.48434	0.8
105.04446	0.8
105.07037	19.2
107.04967	1.3
107.08608	14.1
109.06545	1.4
109.10163	12.6
111.08083	1.7
115.05433	1.5
116.86638	0.8
117.07030	11.2
119.08591	16.1
121.06547	0.8
121.10168	10.2
123.08081	1.3
123.11742	2.8
125.09649	1.7
128.06255	2.4
129.07011	9.4
131.08574	20.7
133.10127	11.5
135.08006	1.0
135.11755	6.0
137.13234	1.0
141.07024	3.3
142.07790	2.9
143.08580	12.2
145.10136	15.8
147.11734	6.5
149.09689	1.3
149.13249	2.0
155.08575	7.6
155.96759	0.7
156.09363	1.6
157.10152	12.5
159.11691	11.3
161.13289	3.9
162.16830	0.7
163.11256	1.1
163.14862	1.8
167.08614	2.6
169.10152	9.3
169.11455	1.2
170.11023	0.9
171.11699	11.4
173.11923	1.4
173.13281	7.5
175.14868	2.3
177.12683	1.2
179.14331	1.6
181.10179	3.4
183.11711	7.8
185.13268	7.5
187.14864	3.5
189.16437	1.4
191.18069	1.3
193.10168	2.1
195.11768	3.9
197.13245	6.3
199.14844	4.9
201.16458	4.1
205.19624	0.9
207.11894	0.9
209.13344	2.9
211.14830	4.6
213.16396	3.5
215.18028	2.3
217.19597	1.4
219.11519	0.9
221.13312	1.3
223.14859	2.3
225.16432	2.8
227.18053	3.3
229.19603	3.2
235.14818	1.6
237.16446	1.5
238.98900	0.8
239.18094	2.5
241.19600	3.2
243.21133	1.2
247.02977	0.8
249.16455	1.0
253.19777	1.3
255.21310	1.8
257.19077	0.8
257.22806	1.4
259.20584	1.5
267.21207	1.9
269.22623	1.0
275.20264	2.0
277.21817	1.6
280.14859	0.9
283.20718	1.3
297.22171	1.8
335.25876	1.1
337.25140	1.1
339.27023	1.1
350.92944	0.8
353.25000	1.1
353.28766	1.2
367.30252	1.5
393.31882	1.2
395.33420	1.0
435.32428	1.0
437.34549	1.0
449.33923	1.3
463.35715	1.0
519.41803	7.3
523.37146	0.8
537.43207	6.3
541.38739	1.6
593.45557	8.9
611.46826	100.0
612.47083	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
52.41405	1.0
53.03946	3.2
53.85808	1.1
54.83369	1.0
55.01871	1.6
55.05511	18.0
57.03435	5.0
57.07072	3.4
63.41583	1.2
65.03937	2.9
65.57954	1.1
67.05507	49.7
69.05310	1.3
69.07068	17.2
70.61991	2.6
71.04987	2.1
71.31979	1.1
79.05495	31.5
81.07059	45.5
83.05009	2.1
83.08634	8.6
85.06561	2.3
87.82381	1.2
91.05482	30.9
93.07048	35.8
95.04967	3.7
95.07991	2.3
95.08607	35.8
97.06531	3.7
97.10173	3.6
99.08092	1.8
105.07040	30.6
107.08590	20.4
109.06529	1.3
109.10167	15.6
117.07014	13.7
119.08575	24.4
121.10144	17.4
123.11720	5.9
128.06213	2.6
129.07036	10.6
131.08560	23.3
133.10143	20.8
135.11710	10.7
137.09610	1.2
137.13284	1.4
141.06989	2.8
142.07748	1.8
143.08545	10.4
144.09348	2.0
145.10138	18.8
147.11687	18.3
149.13252	5.5
155.08568	5.5
156.09393	1.9
157.10130	13.2
159.11705	18.7
161.13254	11.6
163.14864	1.7
167.08582	2.1
169.10120	6.3
171.11708	14.2
173.13251	11.9
175.14803	5.7
175.87766	1.2
180.10854	1.3
181.10182	2.5
183.11708	6.2
185.13287	10.3
187.14777	5.9
189.16383	1.6
195.11746	4.4
197.13298	5.1
198.10931	1.3
199.14789	6.8
201.16489	2.9
203.17921	2.0
207.11674	1.3
209.13258	2.0
211.14871	3.2
213.16454	3.8
223.14954	1.2
225.16425	2.6
227.18025	2.2
229.19510	1.5
239.17946	2.9
241.19667	10.1
243.21187	2.0
251.18069	1.9
253.19635	1.2
257.19125	5.7
259.20596	17.1
261.22241	2.9
262.28143	1.2
275.20255	1.2
299.23639	1.8
315.23038	1.6
327.26819	1.6
331.22711	1.5
333.24200	9.9
335.25775	15.5
339.26895	1.7
353.28522	1.6
367.17020	1.2
483.35034	1.3
501.41434	1.6
519.41876	7.1
537.42950	2.7
541.39136	1.5
575.44299	1.3
593.45697	9.7
611.46710	100.0
612.46692	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37960	1.4
51.96321	1.3
53.03936	2.8
55.01871	2.7
55.05272	1.8
55.05517	23.4
57.03438	5.8
57.07067	4.6
65.03952	2.9
65.51250	1.3
66.04745	1.5
67.00783	1.4
67.05508	48.2
69.07075	18.7
69.46231	1.4
70.74471	3.6
71.05002	1.9
71.08637	2.7
79.05498	39.5
81.03410	1.7
81.07061	51.5
83.04979	2.7
83.08624	10.6
85.06553	3.6
91.05481	38.5
93.07049	42.8
93.08511	1.3
95.04977	3.0
95.08611	36.8
95.09188	2.7
97.06537	4.6
97.10191	4.4
98.20895	1.4
99.08148	1.4
99.68139	1.5
105.04514	1.9
105.07034	36.8
105.07703	2.6
107.08600	26.3
109.06582	2.6
109.10154	17.8
115.05457	2.5
117.07024	14.3
119.08589	30.6
119.09380	2.4
121.10162	18.4
123.08069	2.3
123.11729	5.7
128.06230	3.0
129.07008	13.8
130.07782	2.1
131.08589	26.5
133.10138	25.8
135.08040	1.5
135.11722	11.9
137.13210	1.4
141.07031	3.7
142.07802	3.3
143.08562	14.4
145.10121	24.0
145.11142	1.7
147.11685	17.3
149.13298	7.5
155.08580	6.2
157.10153	14.0
159.11710	19.2
161.13277	14.7
163.14835	4.0
163.44638	1.4
167.08517	2.0
169.10146	8.0
171.11713	14.7
173.13260	15.4
175.14883	6.5
181.10165	2.4
181.73268	1.5
183.11725	6.8
185.13268	11.3
187.14806	8.0
189.16510	1.9
195.11768	3.4
197.13383	4.4
199.14743	7.4
201.16466	4.3
209.13289	3.8
211.14948	4.0
213.16389	3.5
215.17929	1.8
221.13347	1.3
223.15005	1.7
225.16484	2.8
229.19630	2.3
231.21165	1.7
237.16666	1.5
239.17981	2.6
241.19586	9.4
243.20966	1.5
257.19156	4.6
259.20599	18.5
261.22321	3.6
299.23557	2.0
313.25174	1.4
322.79904	1.6
333.24216	10.5
335.25824	21.5
339.26810	2.3
355.22601	1.6
377.34528	1.5
461.33267	1.7
464.86078	1.4
519.42084	6.8
537.42926	3.0
551.01276	1.7
593.45532	9.5
611.46747	100.0
612.47406	3.2
620.35779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	1.0
64.02594	0.8
69.03428	1.8
69.55901	5.1
71.04998	2.0
72.30981	0.9
76.09612	0.8
76.63955	0.8
77.00906	0.9
79.05492	1.5
81.03420	4.2
82.99886	2.6
85.02909	4.0
86.99328	1.1
89.03918	4.4
95.04972	2.2
97.02905	2.0
101.00881	17.3
102.00960	1.0
107.04956	25.7
113.00874	4.0
115.02419	1.9
117.03381	5.1
119.01929	21.6
121.01682	1.1
121.06446	0.8
127.02435	3.2
127.03894	1.4
129.00363	0.9
129.03993	3.5
131.01918	10.4
133.03479	1.7
135.04410	10.5
137.02971	1.7
137.04491	1.3
139.02411	1.7
143.01907	28.7
145.01579	1.5
145.02605	1.5
145.03647	11.6
147.01399	1.1
147.05061	1.4
149.02954	1.1
153.01904	1.3
153.03944	5.8
155.01900	20.7
155.05525	10.2
157.01711	1.2
157.03481	9.2
161.02968	23.8
162.03078	0.9
163.03902	46.1
163.06078	1.9
164.04228	4.8
165.04065	1.4
166.86777	0.8
167.01910	12.6
169.01776	1.5
169.03485	5.3
171.03545	1.1
171.05029	19.4
173.02972	20.7
173.06604	4.4
175.02820	1.5
175.04538	3.1
179.01880	6.5
179.05579	1.9
181.03540	1.8
181.07109	23.0
183.05060	3.8
185.02971	41.5
186.03204	1.7
187.02748	3.4
187.04523	4.8
189.06094	0.9
195.05077	3.6
196.04597	1.0
196.10324	0.9
197.02965	18.4
197.06604	3.7
199.02699	1.3
199.04559	1.2
199.08194	13.0
203.04008	8.6
205.07077	2.6
207.05066	5.6
207.06984	1.7
209.02963	3.0
211.08118	1.4
213.06033	2.7
215.04024	11.4
221.03067	6.2
221.04984	1.5
223.04604	1.2
223.08102	8.9
225.06082	12.3
227.04042	11.7
233.06819	0.9
239.04068	2.6
241.05681	1.4
243.07178	6.2
245.05096	100.0
246.05342	5.4
247.04890	8.5
249.06094	6.0
249.08148	1.1
255.07152	1.2
257.05054	7.4
263.06128	9.9
265.05765	1.2
267.07153	66.7
268.07446	2.2
271.04416	1.9
273.08270	1.5
275.06125	14.1
277.05994	1.2
279.07190	8.5
283.06543	1.9
285.08234	6.4
287.05508	2.2
290.08746	1.3
291.06992	1.8
293.07205	3.0
297.08212	11.6
303.04800	7.7
305.07214	9.4
307.06796	1.5
309.08228	2.6
317.06705	3.3
321.08005	1.7
327.09250	16.0
335.08289	4.4
337.07928	1.1
343.09113	1.1
347.08453	1.1
349.07687	1.5
351.09332	4.6
351.11383	3.9
365.09384	11.0
366.09253	1.0
367.09155	3.4
369.10364	30.1
370.10657	1.1
377.07330	3.2
385.05969	1.1
387.11346	28.9
395.08224	1.1
437.09180	2.5
479.12207	1.0
549.16730	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	611.1609
Annotation	Rutine
Peak:m/z	Relative Intensity
50.72032	0.3
55.98701	0.3
57.03444	3.0
65.03927	0.4
68.99789	0.6
69.03425	0.5
70.65766	0.3
70.79884	0.4
70.80211	0.5
71.04996	18.8
73.02915	0.4
75.04485	0.5
83.04973	0.6
84.02785	0.3
85.02909	20.9
87.04436	0.5
109.68163	0.3
110.61190	0.3
111.00813	0.3
111.04501	0.3
112.91338	0.3
121.02853	1.1
123.04355	0.3
125.74810	0.3
127.03901	0.3
129.05481	4.2
135.04443	0.4
137.02347	2.6
147.06500	0.8
147.07628	0.4
149.02368	0.4
153.01833	3.1
161.06015	0.4
161.12175	0.3
163.03920	0.9
165.01854	2.0
173.06007	0.4
182.85066	0.3
183.02917	0.4
201.05412	1.5
216.94397	0.3
229.04994	4.0
247.06050	0.7
257.04431	2.9
274.04807	0.5
285.03952	1.2
287.05508	5.3
303.05002	100.0
304.05392	1.3
315.04935	0.3
345.06259	0.6
383.60886	0.3
449.10919	0.7
465.10324	13.0
466.10788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.43780	0.7
57.03421	0.8
61.02927	1.7
69.03429	4.0
69.59769	3.2
69.60178	1.3
73.02905	0.8
79.05517	0.9
81.03416	2.6
85.02919	12.7
91.03967	0.8
91.05779	0.9
95.04945	1.0
97.02911	4.2
107.04931	1.9
109.02866	2.9
114.96136	0.9
121.02869	3.4
127.03909	2.8
133.02856	0.8
137.02367	1.3
145.04944	3.1
145.06699	0.8
147.04407	1.2
151.03917	2.3
153.01872	5.3
161.05991	1.0
165.01848	1.3
167.06873	1.0
177.05455	1.1
180.15938	0.8
195.06459	1.0
205.85808	0.8
211.69698	0.9
213.05472	2.2
215.07111	1.1
287.05515	100.0
288.05823	2.0
299.05383	1.3
303.05475	0.9
329.06665	2.6
351.08350	1.0
353.06769	1.0
384.61307	0.9
394.12827	0.8
499.51410	0.8
520.03522	0.8
596.91559	0.8
611.20465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98143	0.2
55.05499	0.4
67.05490	1.1
69.07067	0.4
70.95438	0.6
73.04745	0.3
77.95463	0.2
78.38127	0.2
79.05495	0.5
81.03405	0.4
81.07058	0.9
83.08640	0.3
91.05398	0.5
91.05873	0.3
93.07047	1.0
95.04962	0.2
95.08617	0.5
95.21335	0.2
98.98460	2.9
105.06983	0.3
107.08575	0.5
119.08589	0.5
120.08112	9.3
121.10062	0.2
121.87156	0.2
124.26026	0.2
125.00015	7.5
130.28214	0.2
131.07330	0.5
135.11742	0.3
136.06198	0.5
146.09651	46.3
147.10410	0.5
148.07559	0.7
149.09615	0.3
152.10713	4.7
164.10736	2.6
178.12274	53.2
196.13344	8.1
210.90674	0.2
244.07314	1.7
276.09964	100.0
277.10266	0.5
285.00845	0.4
307.91495	0.2
311.11847	0.3
348.07251	0.3
350.13925	0.3
355.07010	0.9
482.04376	0.3
494.58200	0.3
592.33826	1.4
610.35077	3.0
630.31268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
67.05502	3.7
69.03416	2.6
69.07050	5.7
69.88004	3.2
69.88407	7.8
71.01350	2.0
71.04993	2.8
79.05497	10.9
81.07052	6.7
83.04992	12.4
85.02911	8.4
91.05482	6.7
93.07039	10.6
95.04971	6.2
97.06540	14.7
98.21496	3.3
99.04437	3.4
105.07028	19.2
106.65666	1.9
107.04979	12.2
107.08601	11.3
109.06532	4.9
111.08045	2.2
111.12503	1.8
117.07050	4.6
119.04940	3.1
119.08602	5.5
121.06500	19.5
121.10130	2.7
125.06003	29.1
126.53653	1.7
127.03925	1.8
131.08566	5.5
133.06516	4.6
133.62505	1.9
135.11673	2.3
137.05962	3.8
139.07527	2.2
143.07043	25.6
145.02863	2.3
145.06509	3.2
145.10139	39.1
147.08075	2.1
147.11717	6.6
151.07530	4.4
158.07358	2.8
159.08051	3.8
159.11693	10.2
161.13350	2.4
163.07559	2.9
163.11186	100.0
169.10095	3.7
173.09639	28.6
177.12744	3.0
187.11200	17.9
189.12730	2.7
191.10687	15.9
197.09645	4.5
205.12254	17.0
209.11821	4.7
215.10687	22.7
233.11736	66.4
233.14058	3.5
251.12813	22.6
269.13843	17.5
270.15344	2.5
299.67151	1.8
314.57971	1.9
355.07190	3.0
604.28400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60108	0.5
51.02391	0.5
51.23350	0.5
53.03946	2.1
53.30021	0.5
55.01871	2.0
55.05514	17.4
57.03444	4.7
57.07074	2.6
57.72217	0.4
59.05001	0.6
65.03947	2.2
67.05509	30.2
69.03458	0.6
69.07072	15.8
70.00352	1.9
71.04992	2.1
71.08628	0.5
75.87090	0.5
76.24880	0.4
79.05496	20.9
81.03426	0.8
81.07062	29.7
83.04972	1.1
83.08626	7.5
83.98477	0.5
85.06546	1.5
91.04900	0.9
91.05485	19.0
93.07050	19.8
95.04975	2.1
95.08613	25.1
97.06525	3.4
97.10181	4.0
99.08098	0.7
103.05487	1.1
105.04508	0.6
105.07040	19.7
107.08602	13.2
109.06518	1.0
109.10165	9.1
111.08108	1.9
115.05462	2.0
116.06259	0.8
117.07029	10.5
119.08584	17.6
121.10149	9.8
123.08081	0.8
123.11726	2.6
125.09644	1.5
126.38454	0.5
126.73569	0.5
128.06223	3.5
129.07016	13.6
130.07805	0.9
131.08574	16.7
131.09544	1.0
133.10141	11.5
133.71339	0.5
135.11693	5.6
137.09657	0.8
137.13264	1.1
139.11214	0.8
141.07001	6.3
142.07770	4.2
143.08569	18.2
144.09320	1.3
145.10129	18.1
145.11293	0.5
147.11694	6.4
149.09651	1.2
149.13278	2.5
153.06976	1.6
154.07767	2.4
155.08565	14.2
156.09378	2.1
157.10146	16.9
158.10915	0.7
159.08060	0.9
159.11700	12.6
161.13283	3.9
163.11240	0.5
163.14864	1.3
165.07031	1.4
166.07832	0.9
167.08582	5.5
168.09341	2.9
169.10133	19.0
170.10919	0.9
171.11690	13.4
172.12361	0.5
173.13268	7.8
173.14687	0.6
175.14795	2.2
177.16393	0.7
179.08534	2.8
179.14278	0.6
180.09396	1.4
181.10146	10.2
182.10941	1.8
183.10083	1.0
183.11700	17.0
184.12257	0.8
185.11655	1.1
185.13249	11.4
187.11273	0.9
187.14833	4.1
189.16489	1.3
192.09402	0.9
193.10173	3.7
194.11012	1.3
195.11710	10.8
195.13463	0.8
196.12474	1.5
197.13266	13.8
199.13200	0.6
199.14827	7.7
201.16408	1.8
203.17844	0.5
205.10138	0.7
206.83061	0.5
207.11679	4.2
208.12421	1.0
209.13258	9.4
210.14166	0.7
211.14856	7.7
213.16432	4.4
215.17996	0.5
217.19469	0.5
219.11734	1.6
220.12457	0.6
221.13217	3.7
222.14098	0.7
223.14833	6.3
225.16415	6.8
227.18054	3.2
233.13251	1.2
233.19077	0.8
235.14822	2.3
237.16409	4.5
239.18015	2.5
241.19629	1.6
247.14915	1.1
249.16348	2.3
251.17999	4.1
253.19754	2.5
255.21152	1.4
257.19083	1.6
259.20557	0.7
261.16431	0.6
261.22357	0.7
263.18109	1.7
265.19495	2.3
267.21216	0.9
269.19046	0.6
275.20148	2.2
277.19455	1.0
279.21198	1.4
283.20627	0.9
285.18713	0.6
285.22223	0.7
290.38388	0.5
291.21204	0.9
295.20563	1.0
297.18823	0.6
297.22113	1.0
299.20215	0.6
299.23502	0.6
301.21625	0.5
305.22324	1.0
307.20660	1.1
309.21985	1.1
311.23651	1.0
313.21765	1.0
313.25232	0.7
321.22131	1.0
323.20377	0.7
323.23825	1.9
325.21667	1.2
325.25381	0.7
327.23102	1.3
333.22107	0.7
335.23618	1.3
337.25287	1.7
339.23407	0.8
339.26981	1.2
341.24716	1.2
349.25446	1.4
351.23111	0.7
351.26898	1.6
353.24722	0.9
353.28571	0.5
363.27042	1.5
365.24545	0.9
365.28516	1.9
367.26047	0.6
377.28372	1.1
379.26172	1.0
379.30350	0.9
381.27878	0.6
391.29913	1.3
393.27625	0.7
395.29337	0.5
405.31738	0.9
407.29114	1.0
419.28903	0.8
419.33868	0.7
421.30942	0.7
425.30518	0.6
433.31146	0.7
435.32559	1.2
443.33160	0.7
447.32596	1.3
449.34171	1.1
461.34103	0.8
465.33905	1.2
473.32761	0.6
475.35486	0.7
487.34674	0.8
499.39212	2.0
501.35968	0.8
509.36859	0.7
517.40521	14.6
527.37115	0.7
535.41492	7.9
539.37567	1.7
540.38135	0.8
541.39063	0.8
549.24524	0.8
553.42078	1.7
573.43036	1.7
591.44104	13.9
592.44958	0.7
609.26178	2.9
609.45172	100.0
610.45898	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01869	1.9
55.05244	0.7
55.05512	13.8
57.03440	4.5
57.07077	2.6
59.21520	0.6
61.88013	0.6
65.03949	1.2
66.48743	0.7
67.05508	25.7
69.06729	1.2
69.07072	13.3
71.05006	0.7
71.08640	1.1
71.23261	0.6
72.18318	0.5
77.21713	0.7
79.05495	16.7
81.07059	23.9
83.04983	1.7
83.08615	8.0
85.06585	1.6
89.12988	0.7
91.05480	15.3
93.07047	16.8
95.04960	1.4
95.08613	22.6
95.63154	0.6
97.06553	2.9
97.10169	4.9
98.87746	0.7
99.08075	0.8
105.07040	16.3
107.08609	12.0
109.06519	0.7
109.10157	8.3
111.08081	1.5
115.05480	2.0
117.07010	7.2
119.08585	16.0
119.09369	1.2
121.10146	8.6
123.08108	1.0
123.11710	1.9
125.09635	1.3
128.06236	4.1
129.07019	11.1
130.07791	0.8
131.08577	15.8
133.10139	10.4
135.11687	6.4
137.13264	1.1
141.06995	6.8
142.07790	3.9
143.08565	16.4
145.09064	1.1
145.10141	13.9
147.11699	6.3
149.13268	2.4
153.07028	1.7
154.07759	1.8
155.08568	15.2
156.09348	2.0
157.10143	15.9
159.11693	10.1
161.13284	4.1
165.06993	1.3
166.07762	1.2
167.08591	6.7
168.09381	2.6
169.10135	15.3
170.10832	1.0
171.11690	12.1
172.12195	0.8
173.09532	0.8
173.13272	5.7
175.14862	2.8
177.16434	0.8
178.07829	0.9
179.08539	3.1
180.09395	1.1
181.10133	10.2
182.10954	2.1
183.11729	15.5
184.12485	1.1
185.13284	10.0
187.14848	4.1
189.16492	0.9
191.08452	0.8
193.10123	4.2
194.10922	1.1
195.11687	10.9
196.12456	1.3
197.13261	13.0
199.13231	1.3
199.14842	7.6
201.16411	1.6
203.17986	1.1
205.10162	1.6
207.11723	3.7
207.35585	0.6
208.12570	1.1
209.11568	0.9
209.13321	8.6
210.14169	0.7
211.14859	7.6
213.13052	0.7
213.16447	4.7
215.18005	1.3
219.11746	0.7
221.13194	3.5
222.14078	0.6
223.14798	6.1
225.16443	5.3
227.18024	2.4
233.13130	1.1
235.14732	4.1
237.16379	4.6
239.17938	3.5
241.19559	2.4
247.14876	1.8
249.16475	2.0
251.17862	3.8
253.19522	1.4
255.20985	0.7
257.19006	0.9
263.17993	1.4
265.19629	2.1
267.17450	0.7
267.21106	0.7
271.20685	1.2
277.19659	1.3
279.21231	1.4
280.27115	0.8
285.18701	0.8
291.21283	0.8
295.20648	1.1
295.24078	1.0
297.21982	0.9
299.23758	0.7
307.20746	1.0
307.24127	0.7
309.22012	1.1
321.22110	1.7
323.23743	1.5
325.21786	0.7
329.24933	0.9
333.22128	0.9
335.23669	1.3
337.25299	2.3
339.23279	1.1
341.24860	1.2
349.25348	1.8
351.26871	1.5
353.24884	1.4
363.27039	1.5
365.28430	2.4
369.27930	1.4
377.28580	1.0
379.26254	1.0
379.30475	0.9
391.30121	1.5
405.31995	0.7
409.30981	0.9
417.30844	0.7
421.30911	2.1
447.32629	1.5
461.34128	1.8
499.39856	3.1
501.36047	0.9
511.37338	0.8
517.40454	16.1
535.41510	9.0
539.37335	2.0
541.38672	1.1
553.39020	0.7
555.42084	1.4
565.42780	0.9
573.43152	1.9
591.44073	17.2
609.45129	100.0
610.45587	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
52.12660	0.8
53.03953	9.3
55.01874	12.6
55.05515	25.5
57.03426	2.3
57.07062	2.9
62.66764	0.8
65.03954	6.8
67.05509	68.7
69.03416	3.0
69.07074	40.5
71.04996	2.6
77.03930	2.1
79.05498	70.9
81.03413	7.6
81.07063	80.8
83.04993	11.1
83.08630	12.3
85.06532	2.8
91.05486	78.7
93.07051	68.3
95.01341	14.3
95.04983	13.8
95.08614	49.6
97.06538	21.5
97.10148	4.4
99.08073	1.5
103.05479	2.4
104.06250	1.1
105.04526	2.5
105.07038	84.9
106.07381	0.8
107.04960	20.4
107.08607	26.7
109.06528	5.8
109.10164	13.9
111.08064	3.8
113.09650	1.4
115.05456	2.7
116.06324	1.1
117.07022	18.0
119.06147	0.9
119.08591	44.4
121.06515	2.6
121.10155	18.6
123.04420	2.4
123.08083	3.2
123.11701	3.8
125.09619	2.6
129.07013	4.4
130.07854	1.7
131.07603	1.8
131.08582	31.5
133.06528	1.3
133.10141	48.8
135.08080	5.3
135.11710	12.2
137.09587	2.8
139.07523	2.2
141.06978	2.4
143.08578	4.9
145.06490	2.0
145.10129	22.1
147.08044	1.7
147.11691	21.1
149.09610	6.9
149.13266	7.6
151.11191	1.4
155.08516	1.8
157.10159	3.8
159.08057	1.7
159.11702	16.2
161.09622	1.2
161.13283	7.9
163.11180	3.5
163.14816	2.1
165.09154	2.1
169.10149	3.2
171.11708	4.3
173.13274	5.0
175.11163	1.3
175.14873	1.1
177.12781	3.6
179.12755	1.4
179.14317	23.3
183.11700	2.8
185.13239	1.2
187.11197	3.6
187.14856	2.1
189.12674	1.1
191.14163	0.8
195.13869	1.1
197.13304	2.9
201.12679	1.2
201.16347	1.5
205.12242	2.0
215.14011	0.8
215.17860	0.9
219.13904	0.8
219.17499	5.3
223.13409	1.0
229.19576	2.5
229.41391	1.2
239.17957	1.8
247.20532	2.2
257.19061	10.1
257.21652	1.3
261.22226	2.0
275.20084	100.0
276.20267	1.1
293.21161	6.7
335.25821	2.5
349.23709	3.4
417.90253	1.0
424.97372	1.0
609.45520	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.413
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
53.03922	3.7
54.92810	0.9
55.01868	4.7
55.05514	9.8
57.03407	1.4
57.07055	1.8
65.03922	1.4
67.05503	26.5
69.07069	11.2
71.04984	0.8
71.08609	1.6
76.04470	0.9
79.05495	24.1
81.03394	1.7
81.07055	25.8
83.04936	2.7
83.08579	4.0
91.05482	23.6
93.07047	25.9
95.04928	4.3
95.08613	17.7
97.06523	7.7
97.10125	1.8
99.08061	1.2
103.05408	0.9
105.07038	22.0
107.04899	4.2
107.08610	13.2
109.06477	2.8
109.10175	5.6
111.08081	1.2
115.05353	1.4
117.07024	6.7
119.07841	1.1
119.08586	16.0
121.06419	1.5
121.10142	8.6
123.08038	1.8
123.11667	1.8
129.06963	3.1
131.07791	1.1
131.08563	10.8
133.10153	12.1
135.07967	1.4
135.11618	4.1
137.09554	1.2
138.64478	0.9
142.07825	1.0
143.08513	2.6
145.10150	9.2
147.11676	6.4
149.09641	5.3
149.13203	2.3
153.08435	0.9
155.08427	1.1
157.10069	3.8
159.11725	5.1
161.13182	3.1
161.82640	0.9
163.11127	2.5
169.10066	2.8
171.11578	2.5
173.11684	1.3
173.13173	3.9
175.14767	1.3
177.12759	1.3
179.14311	4.6
183.11559	2.7
185.13229	1.4
187.11099	1.7
187.14735	1.3
195.11601	1.1
197.13158	1.9
207.94972	1.0
219.17296	2.8
221.13312	1.1
223.14844	1.0
228.55907	1.0
238.93013	1.1
239.17879	1.8
257.19040	6.2
269.69351	0.9
275.20084	22.4
293.20984	2.1
315.19156	5.3
317.20767	1.5
335.25510	2.1
336.14078	1.0
468.37192	2.0
591.40131	25.4
609.25946	3.5
609.40973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.8
55.01865	8.5
55.05519	27.8
57.03435	14.4
65.03931	3.8
67.05511	67.9
69.03429	19.4
69.07070	15.9
71.01357	3.0
71.04977	8.1
79.05495	53.6
81.03419	100.0
81.07062	47.6
83.04986	27.2
83.08627	16.6
85.02910	17.4
85.06551	2.8
91.05479	45.4
93.07046	61.3
94.07317	2.5
95.04980	27.8
95.08617	15.2
97.02892	21.8
97.06526	14.1
97.10165	10.3
99.04449	6.6
99.08095	2.8
105.07040	26.9
107.04947	9.7
107.08605	27.9
109.02888	16.7
109.06511	7.0
109.10141	10.1
111.04456	12.0
111.08067	12.4
115.05507	3.1
117.07021	9.2
119.08579	24.8
121.06519	5.3
121.10145	12.3
123.08070	5.1
123.11787	2.4
125.09631	4.6
127.03927	11.4
129.07010	10.1
131.08575	11.3
133.06503	4.5
133.10135	13.8
135.08035	3.8
135.11690	38.4
137.09612	5.7
137.37170	2.2
143.08563	2.8
145.06511	3.0
145.10127	12.7
147.08043	4.2
147.11674	12.7
149.09637	6.8
153.12727	4.6
157.10133	8.7
163.11186	15.6
165.12761	4.5
169.10158	2.2
173.09700	4.0
175.11201	7.7
181.12268	13.7
191.10640	5.6
193.12270	35.5
197.09328	2.3
209.11810	3.4
211.13298	56.7
227.12770	8.3
235.13409	2.7
249.14944	2.4
255.15929	9.5
261.14990	2.4
267.15836	3.6
272.18027	2.0
283.15500	3.2
285.17123	4.7
301.14264	2.1
325.16525	3.7
337.16278	3.1
354.18707	2.2
355.17520	9.7
355.22449	2.9
381.19299	3.8
388.28003	2.2
419.27933	3.6
447.27356	10.0
465.28424	12.5
578.11743	2.5
591.31702	5.2
609.23322	5.0
609.32642	79.8
610.32544	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	609.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29522	1.4
53.03950	13.2
55.01874	8.6
55.05517	27.0
57.03238	1.4
57.03445	14.9
61.02916	3.1
65.03944	2.7
67.05511	59.2
69.03432	17.5
69.07074	16.3
71.01356	3.1
71.04996	11.0
71.49715	3.0
71.77826	1.4
73.02910	1.7
77.03934	1.7
79.05500	52.2
81.03426	100.0
81.07064	41.3
83.04993	21.6
83.08625	15.9
85.02912	17.6
85.06540	3.2
91.05487	43.4
91.37208	1.5
93.07052	52.3
95.04976	24.2
95.08624	16.1
97.02898	16.9
97.06538	13.4
97.10171	12.3
99.04462	6.0
99.08114	1.8
105.04512	2.3
105.07037	27.5
107.04953	10.5
107.08604	31.5
109.02890	15.9
109.06529	6.1
109.10181	11.1
111.04449	16.7
111.08079	10.3
115.05508	2.2
117.07030	11.6
119.08594	22.8
121.06511	5.5
121.10150	13.5
123.08081	2.7
125.02238	1.7
125.09644	5.5
127.03916	10.8
128.19547	1.6
129.05527	2.3
129.07022	9.7
131.04980	1.7
131.08575	14.5
133.06514	5.4
133.10173	11.9
135.08025	1.8
135.11708	30.8
137.05980	1.7
137.09683	3.2
142.07787	2.8
143.08566	3.0
145.06505	4.7
145.10118	12.1
147.08047	3.8
147.11720	12.9
149.06049	2.5
149.09645	6.4
151.11201	2.2
153.12743	3.8
157.10117	8.2
159.11794	2.4
161.06038	2.0
163.11211	11.7
165.12810	4.2
173.04431	2.1
175.11162	9.5
181.12268	12.2
189.09222	1.7
189.11267	3.3
191.10715	3.7
193.12271	32.2
199.13351	2.1
211.11447	1.7
211.13293	42.9
227.12735	9.4
237.14908	2.4
255.15927	11.8
261.14920	2.1
267.16025	8.8
273.14902	1.6
283.15524	4.0
285.16992	4.9
289.14447	2.3
307.15405	2.5
325.16580	5.0
337.16434	2.7
337.21896	1.7
355.17633	9.8
355.22327	3.3
373.23785	2.6
373.28342	1.7
381.19101	4.3
411.20068	5.6
429.26257	3.9
447.27496	21.6
465.28519	11.4
502.76688	1.6
506.64786	1.5
511.04904	1.8
511.31967	2.1
523.39783	1.5
591.31683	6.2
609.32721	82.8
610.33234	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.7
53.03951	15.8
55.01877	6.2
55.05514	24.6
57.03196	1.8
57.03441	13.8
58.51962	1.8
65.03941	5.6
65.20914	1.9
66.37731	1.9
67.05509	58.2
69.03433	19.2
69.07066	19.1
69.72386	10.9
71.01348	4.0
71.05000	9.4
73.02952	2.5
79.05496	57.0
81.03423	100.0
81.07053	43.4
83.04989	28.2
83.08633	19.2
84.45864	2.1
85.02914	16.4
85.06521	3.6
87.04426	2.1
91.05488	41.8
93.07053	50.0
95.04966	21.9
95.08601	16.9
97.02898	22.9
97.06532	12.5
97.10167	10.7
99.04479	5.4
99.08141	3.1
105.04544	2.5
105.07027	24.2
107.04940	11.2
107.08604	28.0
109.02870	17.4
109.06534	6.8
109.10166	11.2
111.04456	13.2
111.08104	9.0
113.58340	2.1
115.05449	4.9
117.07031	9.5
119.04991	2.3
119.08582	20.6
121.06531	4.3
121.10130	13.2
121.73388	1.9
123.04507	2.8
123.08099	5.0
123.11700	5.5
125.09682	2.7
127.03960	11.1
129.07007	10.8
131.04974	3.1
131.08580	12.7
133.06538	4.6
133.10144	11.8
135.04402	2.6
135.08099	5.6
135.11702	32.4
137.06020	3.7
137.09645	4.1
141.07030	4.2
143.08586	3.2
145.06454	2.8
145.10135	14.8
147.08064	4.1
147.11705	14.6
149.06053	2.6
149.09631	4.0
151.11234	2.2
153.12741	2.7
157.10101	10.0
159.11633	2.5
161.06018	3.5
163.11198	13.8
165.12761	3.8
167.07059	4.4
173.04628	2.7
173.06047	6.4
175.11269	8.2
177.12819	2.6
181.04973	3.1
181.12253	14.6
183.11685	2.2
191.10796	5.4
193.12241	29.0
201.05545	3.3
211.13290	41.9
213.05542	3.7
217.05014	8.0
227.12866	6.1
231.14043	2.4
253.14365	2.7
255.15932	12.4
259.13461	2.6
259.16373	2.1
267.16022	5.6
275.20221	2.8
285.17178	3.8
307.19281	2.2
325.16660	4.8
329.13943	3.5
337.16803	3.4
355.17505	7.5
355.22116	2.1
363.18161	3.3
381.19092	6.5
385.16394	2.1
393.19174	3.1
399.18536	4.1
411.20221	5.3
429.26788	3.3
434.26907	2.2
447.27460	13.9
465.28476	14.1
573.30469	4.0
591.31421	7.5
609.32721	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
54.27835	0.2
55.01868	0.6
55.05514	2.1
57.03440	0.4
67.05504	4.8
69.07073	2.6
71.04981	0.3
79.05491	4.1
81.07056	4.2
83.04980	0.5
83.08627	1.1
91.05475	3.8
93.07037	4.3
95.01319	0.3
95.04970	1.0
95.08608	3.5
97.06515	1.4
97.10162	0.4
103.05511	0.3
105.04536	0.3
105.07027	3.4
107.04959	1.1
107.08580	2.3
109.06509	0.5
109.10159	1.9
111.08081	0.5
117.07053	1.2
119.08567	2.2
121.06512	0.3
121.10176	1.5
123.08050	0.4
123.11727	0.3
125.09631	0.4
129.07018	0.8
131.08549	2.4
133.10129	1.9
135.11716	1.1
141.06992	0.5
143.08556	0.9
145.10147	2.6
147.11696	1.4
149.09628	1.1
149.13281	0.6
155.08591	0.6
157.10124	1.3
159.11662	1.5
161.13240	0.6
163.11203	0.8
163.14732	0.3
169.10159	0.6
171.11769	1.0
173.13321	0.7
175.14836	0.3
177.12711	0.3
179.14287	0.6
183.11765	0.6
185.13255	0.6
187.14667	0.3
195.11711	0.3
199.14944	0.3
211.12459	0.5
213.16550	0.3
223.12431	0.3
225.16434	0.3
229.19507	0.3
237.13857	0.4
239.15524	0.4
239.17963	0.5
251.15465	0.5
257.18985	1.3
261.22247	0.3
275.20062	2.9
293.21072	0.4
331.22729	0.3
335.26071	0.3
375.16257	0.5
376.17072	0.4
377.17816	0.8
378.18619	0.5
385.14365	0.3
386.15283	0.3
388.18143	0.4
389.18610	0.7
390.18823	0.9
391.19189	2.2
392.20114	1.5
393.20630	0.4
399.16180	0.4
401.17529	0.6
402.18408	0.3
403.19635	0.7
404.20380	1.0
405.20782	2.7
406.21680	1.9
407.22406	3.0
413.17606	0.5
414.18814	0.6
415.19235	2.1
416.20013	0.3
417.21158	0.5
419.18164	0.8
419.23248	1.6
420.23285	0.7
421.23926	3.6
422.24728	0.5
427.19461	0.4
428.20197	0.5
429.21240	1.7
430.21729	0.9
431.18222	0.4
431.23114	0.4
432.19595	0.6
433.15735	0.6
433.20428	1.2
433.24808	0.5
434.20377	0.4
434.25385	0.4
435.21582	0.4
442.21689	0.5
443.22839	0.4
444.23514	1.3
445.20270	0.9
446.21100	0.5
447.18362	1.3
448.18130	0.4
449.24088	0.6
452.22391	0.5
456.19434	0.3
457.24774	1.3
459.21942	1.6
460.22699	1.0
461.19183	4.7
462.20395	2.7
463.21066	2.2
468.37656	0.3
470.21283	0.6
471.18167	0.5
472.22598	0.9
473.19525	0.6
474.20596	0.9
475.21091	7.0
476.21826	6.3
477.22421	4.2
478.23865	1.2
479.24329	0.4
482.21371	0.3
485.23657	5.2
486.20215	2.6
487.21231	0.9
487.25922	0.5
488.22198	1.1
489.23041	4.6
493.22412	1.0
494.26807	0.7
497.23541	0.7
499.21262	3.9
500.22067	1.4
502.23523	0.6
503.24576	7.0
504.21387	0.6
504.25000	0.8
505.22183	0.7
507.23911	0.7
511.38025	0.5
513.22614	1.0
515.24463	6.1
517.22437	2.0
517.40375	0.4
518.22906	0.5
521.25958	2.9
531.23914	8.3
532.24133	0.5
533.25464	0.4
535.23358	1.2
535.42047	0.4
541.22308	0.6
544.20221	0.3
548.24286	0.5
549.24951	2.4
550.25726	3.4
559.23413	5.1
563.26532	1.3
577.24652	1.9
591.26056	14.5
592.25989	0.5
609.27063	100.0
609.44891	6.9
610.27435	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	609.2716
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05507	1.2
57.03441	0.5
67.05516	2.2
69.07063	0.6
70.06656	1.7
79.05491	2.5
81.07061	2.4
91.05509	2.5
91.28171	0.4
93.07053	2.7
95.08625	2.0
97.06571	0.5
98.21632	0.4
103.59162	0.4
105.07038	1.4
107.08627	1.4
109.10155	0.6
117.07005	0.7
119.08596	1.2
121.10165	0.9
129.06950	0.6
131.08559	1.1
133.10120	1.0
135.11763	0.7
143.08617	0.5
145.10135	1.3
147.11713	0.8
157.10162	0.7
159.11693	1.1
173.13295	0.5
197.13344	0.5
237.13989	0.7
239.15578	0.8
257.19113	0.7
275.20178	2.0
327.23514	0.4
374.16550	0.7
375.16653	0.7
376.17035	1.2
377.17859	0.9
378.18481	0.6
389.18109	1.2
390.18442	1.0
391.19086	2.3
392.20029	1.6
399.16650	0.7
400.16986	0.6
401.17850	0.9
402.18933	0.6
403.19693	0.9
404.20551	1.1
405.16333	0.5
405.21100	2.8
406.21796	2.5
407.22302	4.3
413.17557	0.5
414.18585	0.8
415.19495	2.6
417.21317	0.6
418.17529	0.7
418.22433	0.6
419.18692	1.5
419.23184	0.6
420.23340	1.3
421.24280	4.1
422.25031	0.5
427.19131	1.3
428.19922	0.6
429.21045	3.1
430.21881	1.4
431.18378	0.9
432.19635	0.9
433.20261	2.1
433.24921	1.0
443.22629	1.0
444.23267	1.8
445.20404	1.6
446.21170	0.6
447.17538	2.5
448.18964	0.9
449.23721	0.8
452.22412	0.6
456.19107	0.7
457.24774	2.9
458.25043	0.6
459.22131	2.4
460.22659	1.7
461.19202	6.0
462.20221	2.9
463.21548	2.2
471.18222	0.9
472.22543	1.5
474.20721	1.5
475.21112	8.6
476.21878	6.5
477.22476	4.5
478.23862	1.1
479.24728	0.6
485.23605	7.8
486.20258	3.1
487.25803	0.7
488.22513	1.5
489.23004	5.5
494.26581	1.2
499.21503	2.7
500.22360	2.2
503.24634	6.5
504.25980	0.9
507.23941	0.9
513.23102	1.2
515.24512	7.3
517.22400	0.8
521.26208	3.4
531.15955	0.7
531.24017	14.7
535.22772	0.7
541.22498	1.1
548.24243	0.6
549.24921	3.9
550.25732	5.0
559.23523	7.8
577.24530	1.5
591.26099	32.0
592.26331	1.3
609.27136	100.0
609.44989	5.1
610.27484	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	608.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58163	3.2
55.05505	12.2
57.06838	4.0
57.07084	45.0
67.05506	10.3
69.07062	6.1
71.08617	4.3
79.05483	13.6
81.07070	24.3
83.08624	9.5
91.05480	10.8
93.07039	8.5
95.04939	8.2
95.08601	8.5
97.10191	7.3
105.07027	8.9
107.08569	6.2
109.06522	4.0
109.10186	5.5
119.08584	4.7
121.10148	3.7
123.08089	3.2
131.08554	5.7
135.08043	3.8
145.10144	8.6
147.08008	7.2
147.11700	5.5
165.09178	3.2
189.11208	8.6
233.03625	6.6
235.04469	3.4
251.04706	7.9
273.18445	12.1
291.19553	54.8
296.44937	3.7
327.07800	57.9
328.08170	54.2
356.55807	3.3
383.14078	28.1
384.14377	36.3
432.18774	6.5
439.20224	11.2
440.20685	35.8
446.20297	6.5
447.21164	7.8
460.22263	5.5
461.22797	9.0
462.23581	12.9
495.26556	26.9
496.19827	4.5
496.27045	88.1
548.27576	29.6
548.78577	3.1
551.32324	5.0
552.33118	53.5
608.29651	100.0
608.39758	12.2
618.92987	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	607.2911
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.58876	0.4
61.71409	0.4
127.95602	0.4
218.87831	0.3
268.11395	0.5
348.15530	0.4
387.16055	0.6
388.17001	0.6
389.17838	1.1
402.18698	0.7
403.19244	2.5
404.20331	1.0
405.20804	1.2
416.20154	1.0
417.16269	0.7
417.21506	2.9
418.21637	1.1
419.22287	2.7
430.17426	0.6
431.18002	5.8
432.18927	0.8
433.24155	7.5
434.24741	0.9
443.18091	0.5
444.19247	0.4
445.19839	8.1
446.20480	3.3
447.21771	3.2
459.21365	2.8
460.17014	0.4
460.22549	9.8
461.23392	11.2
473.23438	2.7
474.23984	0.9
487.24725	1.3
491.24683	0.4
505.22009	2.3
506.26755	0.6
519.27155	1.2
532.24902	0.5
547.27069	39.1
548.27405	1.2
575.25940	0.8
579.29083	0.8
607.29150	100.0
608.29724	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	607.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.3
55.01867	7.1
55.05520	23.5
57.03441	6.9
63.19275	1.4
65.03960	3.9
67.05512	77.2
69.03443	14.9
69.07076	26.8
70.14409	6.1
71.05002	8.6
73.02934	1.7
74.54014	1.6
79.05504	56.4
81.02931	2.8
81.03426	71.1
81.07063	95.0
83.04985	18.4
83.08634	13.5
85.02909	7.6
85.06554	5.5
91.05492	42.5
93.07053	68.0
93.07648	2.7
95.04980	9.9
95.08611	28.1
97.02898	14.2
97.06538	12.4
97.10199	2.9
99.04466	6.5
99.08103	3.8
105.04536	2.2
105.07052	21.3
107.04980	5.4
107.08601	36.2
107.09303	2.3
109.02889	9.0
109.06561	3.6
109.10189	5.2
111.03833	1.5
111.04449	9.7
111.08114	4.9
115.05462	2.0
116.65230	1.5
117.07033	12.2
119.08624	11.1
121.06562	4.0
121.10150	19.2
123.04420	2.1
123.08074	3.9
123.11734	5.8
127.03931	8.6
129.05611	1.6
129.07034	6.3
131.08594	15.6
133.06497	1.8
133.10135	13.8
135.08076	4.1
135.11716	14.7
137.06039	2.3
137.09674	1.8
141.06982	1.6
143.08588	3.0
145.06456	1.9
145.10182	6.3
147.08099	1.6
147.11714	12.6
148.61919	1.6
149.09645	3.3
149.13287	29.3
151.11197	2.6
155.08606	2.3
157.10170	3.9
159.11710	15.3
161.13266	2.2
163.11183	3.4
165.05589	1.9
165.12816	5.3
167.14441	2.2
173.13300	2.1
175.11235	1.8
177.12746	9.3
183.06644	2.8
189.72836	1.5
193.12367	2.7
194.49062	1.4
195.13802	20.5
195.15466	1.7
213.14922	3.2
219.36865	1.7
227.12688	1.5
229.14326	1.6
247.00487	1.8
257.15509	1.6
257.69769	1.7
267.16086	4.4
269.17465	9.6
275.16333	2.2
285.14850	2.7
303.15900	2.1
321.17126	4.6
339.17969	14.3
395.20770	13.1
463.30783	13.7
589.33679	2.8
607.34875	100.0
634.89557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
53.48749	0.3
65.19389	0.3
67.53749	0.4
98.21510	0.9
115.56797	0.3
183.92567	0.4
341.14673	0.3
388.16849	0.7
389.17441	1.7
390.18979	0.4
401.18179	0.9
402.18677	1.3
403.19165	3.5
404.20056	1.1
405.20718	2.1
410.01855	0.3
415.19232	0.5
416.20520	0.4
417.16388	1.0
417.21533	3.8
418.21622	2.4
419.22363	4.0
429.21591	0.4
430.17880	1.3
431.18301	9.9
432.18500	1.9
432.24313	0.5
433.24078	8.7
434.24591	1.2
445.19843	9.8
446.20825	4.7
447.21735	4.9
459.21405	3.8
460.22571	9.9
461.23386	10.8
473.23874	2.6
474.24207	0.9
477.22797	0.4
487.25119	1.3
492.25085	0.9
505.21982	2.9
515.24817	0.7
518.22839	0.4
519.24066	1.1
519.28394	0.7
532.24719	1.1
547.27081	22.1
548.27252	0.8
579.29712	0.5
607.29163	100.0
608.30011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47050	0.4
55.01815	0.5
55.05447	1.6
57.07005	1.3
57.74837	0.4
63.73581	0.4
67.05428	3.4
69.07005	1.2
71.08565	1.0
71.08902	0.4
79.05412	3.1
79.50920	0.4
81.06973	4.0
82.07329	0.7
83.04938	0.5
83.08564	1.1
91.05475	3.2
93.07039	2.5
95.04900	0.8
95.08601	2.5
97.06453	0.6
98.21505	1.4
105.07059	2.6
107.04879	0.7
107.08499	1.4
109.06441	1.0
109.10072	1.3
110.99504	0.4
111.07949	0.4
117.06956	0.7
119.08630	2.2
121.10056	0.8
123.11601	0.7
125.09544	0.4
131.08537	0.8
133.10046	1.7
143.08479	0.5
145.10030	1.2
147.04305	0.5
147.11661	1.0
149.09576	0.6
157.10072	0.9
159.11708	0.8
161.13141	0.5
209.10649	0.5
219.17398	1.0
223.12259	0.5
233.10805	0.5
257.18787	0.5
273.13116	0.4
275.20004	2.4
276.20352	1.7
310.13193	0.5
313.27435	0.8
314.27731	1.3
349.15668	0.6
349.23679	0.8
350.23871	0.4
373.14822	0.7
374.15192	0.6
375.15952	1.5
387.16058	1.1
388.16779	1.3
389.17676	4.0
390.18417	1.9
391.19125	0.9
401.17743	0.8
402.13983	0.7
402.18350	1.6
403.19513	6.4
404.20135	2.4
405.20737	2.8
415.19614	0.6
416.16183	1.7
417.16092	5.2
417.21075	3.4
418.17664	1.5
418.21835	1.4
419.22452	9.5
420.22995	1.2
429.16422	0.5
430.17920	1.4
431.18259	9.6
432.19153	3.6
433.19888	3.3
434.20911	0.6
443.18942	0.4
444.19495	0.9
445.20261	7.6
446.21057	7.8
447.21756	12.4
448.22131	1.3
459.18088	2.5
459.22839	1.0
460.23239	0.7
461.19748	1.8
463.24786	1.5
473.19717	1.7
474.20459	13.9
475.21240	14.5
476.22220	0.6
477.23135	0.5
487.21338	2.9
488.21762	0.9
490.23920	2.7
491.20093	1.2
491.25293	1.0
501.22665	2.4
502.23343	0.7
503.24463	0.5
506.22949	0.9
518.23083	0.6
519.24078	13.0
520.24072	0.8
532.20709	0.8
547.23431	75.3
548.23975	3.3
561.24927	1.3
579.26117	5.4
588.47449	0.7
589.24487	1.5
607.25537	100.0
607.42810	2.3
608.25885	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
63.77698	0.2
67.05513	0.5
69.56181	0.9
81.07043	0.6
81.36081	0.2
93.07053	0.3
105.07028	0.3
111.10876	0.2
118.06762	0.3
118.92383	0.2
130.54544	0.2
195.09113	0.3
209.10800	0.3
209.98898	0.2
221.10687	0.4
223.12451	0.3
235.12207	0.3
251.11890	0.3
286.13382	0.2
306.51089	0.2
374.15302	0.6
375.16049	0.8
379.62796	0.3
387.16077	0.5
388.16925	0.8
389.17801	2.7
390.18399	0.6
391.19406	1.1
392.19519	0.3
401.17828	0.7
402.18430	1.0
403.15585	0.6
403.19519	4.3
404.20239	1.5
405.20749	3.4
406.21277	0.3
407.47928	0.2
415.14798	0.4
415.19598	0.5
416.16321	1.0
417.16238	3.7
417.21219	1.8
418.17783	1.1
418.21924	0.9
419.17783	0.4
419.22531	5.4
420.23428	1.1
429.16678	0.5
430.17303	1.2
431.18307	6.7
432.19171	3.2
433.20206	3.9
434.21118	0.5
445.20145	5.1
446.20999	7.6
447.21802	9.3
448.22485	0.7
459.17264	0.9
459.22037	1.6
460.18332	0.6
461.19223	1.1
462.24716	0.5
463.25327	0.7
473.19598	1.1
473.24487	0.4
474.20407	5.0
475.21033	4.5
476.22092	0.4
477.22818	0.8
478.23676	0.7
487.21677	1.1
488.21762	0.5
490.24127	0.4
491.20071	2.4
501.22946	1.2
505.22150	0.8
506.23251	0.6
509.36612	0.3
519.24115	14.9
520.24274	0.6
532.20929	0.5
547.23419	11.0
548.24048	0.7
551.26343	0.5
561.24664	0.3
575.22839	0.3
579.26031	5.7
607.25537	100.0
608.25873	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	607.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86372	3.0
67.04077	2.8
69.03421	3.1
69.16305	3.0
71.48737	5.9
85.02908	6.7
89.03908	4.1
97.02882	4.9
101.00893	20.4
105.07009	3.6
107.04960	46.3
113.00913	3.9
117.03375	7.3
119.01921	27.4
121.06493	3.8
125.45588	3.1
127.02459	8.3
129.03992	9.4
131.01901	15.7
135.04446	10.5
136.63596	3.4
143.01907	27.7
145.03488	10.0
147.01338	3.9
153.04054	3.9
155.01859	24.9
155.05540	11.0
157.03516	9.3
161.02928	21.4
163.03912	62.4
163.05974	4.1
164.04208	7.0
167.01935	10.4
169.03433	6.8
169.07120	11.5
171.05042	12.5
173.02960	22.0
179.01910	7.8
179.05553	5.9
181.07140	11.4
183.05063	5.2
185.02959	49.3
185.06577	4.0
187.04456	6.1
187.08131	6.9
195.05040	6.7
195.08696	11.7
197.02948	22.7
199.08191	4.7
203.04022	14.7
205.01758	3.3
207.05035	14.6
209.02950	5.0
213.06204	4.0
213.09767	19.4
215.04088	11.7
219.05060	4.3
221.02974	3.7
223.04593	4.4
223.08197	12.2
225.06082	12.6
227.03995	12.5
233.02962	9.6
239.07835	4.6
245.05080	100.0
247.04532	9.4
249.06149	5.7
251.04108	3.4
257.04926	5.9
257.08838	6.3
263.06180	7.2
264.57700	3.4
267.07169	24.7
275.06189	10.6
275.22818	3.0
281.08694	46.4
293.08643	7.3
299.09756	35.9
300.10510	3.3
305.07288	10.6
307.06635	4.3
309.08240	3.9
311.09753	7.4
325.07703	31.8
325.11191	5.3
335.08209	4.5
341.10788	11.8
343.08755	10.5
351.09256	6.6
355.08722	7.0
365.09482	6.2
369.10513	4.0
377.07169	3.8
383.11938	27.2
385.09668	7.8
401.13037	19.2
411.87204	3.5
427.10880	11.3
445.11649	8.8
563.17938	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	607.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86372	3.0
67.04077	2.8
69.03421	3.1
69.16305	3.0
71.48737	5.9
85.02908	6.7
89.03908	4.1
97.02882	4.9
101.00893	20.4
105.07009	3.6
107.04960	46.3
113.00913	3.9
117.03375	7.3
119.01921	27.4
121.06493	3.8
125.45588	3.1
127.02459	8.3
129.03992	9.4
131.01901	15.7
135.04446	10.5
136.63596	3.4
143.01907	27.7
145.03488	10.0
147.01338	3.9
153.04054	3.9
155.01859	24.9
155.05540	11.0
157.03516	9.3
161.02928	21.4
163.03912	62.4
163.05974	4.1
164.04208	7.0
167.01935	10.4
169.03433	6.8
169.07120	11.5
171.05042	12.5
173.02960	22.0
179.01910	7.8
179.05553	5.9
181.07140	11.4
183.05063	5.2
185.02959	49.3
185.06577	4.0
187.04456	6.1
187.08131	6.9
195.05040	6.7
195.08696	11.7
197.02948	22.7
199.08191	4.7
203.04022	14.7
205.01758	3.3
207.05035	14.6
209.02950	5.0
213.06204	4.0
213.09767	19.4
215.04088	11.7
219.05060	4.3
221.02974	3.7
223.04593	4.4
223.08197	12.2
225.06082	12.6
227.03995	12.5
233.02962	9.6
239.07835	4.6
245.05080	100.0
247.04532	9.4
249.06149	5.7
251.04108	3.4
257.04926	5.9
257.08838	6.3
263.06180	7.2
264.57700	3.4
267.07169	24.7
275.06189	10.6
275.22818	3.0
281.08694	46.4
293.08643	7.3
299.09756	35.9
300.10510	3.3
305.07288	10.6
307.06635	4.3
309.08240	3.9
311.09753	7.4
325.07703	31.8
325.11191	5.3
335.08209	4.5
341.10788	11.8
343.08755	10.5
351.09256	6.6
355.08722	7.0
365.09482	6.2
369.10513	4.0
377.07169	3.8
383.11938	27.2
385.09668	7.8
401.13037	19.2
411.87204	3.5
427.10880	11.3
445.11649	8.8
563.17938	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	605.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01873	41.7
55.05513	27.1
57.03446	10.4
57.07078	44.1
65.03929	2.2
67.05505	65.1
69.03429	2.5
69.06731	2.8
69.07071	34.7
69.38930	12.5
71.04982	4.6
71.08636	24.6
74.09718	1.6
77.03919	2.1
79.05497	47.5
81.03423	3.6
81.07057	69.0
82.07412	2.8
83.04971	6.0
83.08158	2.2
83.08622	23.1
85.06542	4.5
85.10184	14.2
91.05486	38.2
93.07051	38.4
95.04967	12.3
95.08000	2.1
95.08611	45.6
97.06537	46.5
97.10178	13.3
99.08018	2.2
105.07037	44.9
107.04968	28.2
107.08603	38.2
109.06544	11.8
109.10163	24.2
111.08063	5.6
111.21246	1.6
117.07013	12.9
119.08585	26.1
120.15083	1.7
121.06510	6.6
121.10146	16.8
123.08083	5.2
123.11727	8.6
125.09673	8.5
129.07010	5.8
131.08560	20.8
133.10139	25.2
134.10472	2.0
135.08051	5.9
135.11697	10.5
137.09618	5.2
137.13235	3.1
139.11203	2.2
143.08568	2.4
145.06509	1.9
145.10135	24.6
147.11690	19.6
149.08424	2.9
149.09622	53.3
149.13292	4.1
151.11203	4.7
155.08615	3.1
157.10159	2.4
159.07965	1.6
159.11671	15.3
161.09581	3.3
161.13278	5.3
163.11198	22.3
165.09085	2.2
165.12718	3.3
169.10210	2.6
171.11700	4.0
173.13309	7.5
175.11162	3.3
177.12726	6.0
179.14297	1.6
183.11748	3.4
185.13330	2.1
187.11192	2.3
189.11183	2.6
191.14299	2.6
193.12305	2.5
197.13257	2.6
213.16376	2.7
215.17931	1.8
219.17549	2.1
220.04442	2.2
227.12811	14.6
229.19609	4.2
239.17976	7.1
239.23683	5.2
247.20560	6.3
257.18982	17.2
275.20071	100.0
276.20395	6.3
277.20914	5.0
293.21194	13.0
294.21472	3.4
311.25815	2.3
313.27380	72.9
331.22662	2.4
349.23749	35.0
353.11557	1.8
397.16635	2.2
409.33200	2.2
491.40622	2.7
507.40665	2.3
587.46777	43.0
605.48199	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03445	1.6
53.03939	4.4
55.01874	15.3
55.05511	32.4
57.03429	5.7
57.07076	49.2
62.85821	1.8
65.03938	4.7
66.29554	1.7
67.05505	75.6
69.03425	2.0
69.07065	33.6
70.62627	4.2
70.62963	3.0
71.04986	3.3
71.08628	37.8
72.16460	1.8
79.05491	46.2
81.03427	3.4
81.07056	86.6
83.04980	6.8
83.08620	30.0
83.85955	1.7
85.06523	2.8
85.10185	21.1
91.05482	40.8
92.36859	1.8
93.07050	38.1
95.04961	10.8
95.08609	64.9
97.06526	20.8
97.10161	17.8
99.08063	2.2
105.04459	1.9
105.07030	40.2
107.04957	16.9
107.08598	37.5
109.06496	11.1
109.09466	3.4
109.10157	32.8
111.08096	4.0
111.11768	2.1
117.07032	10.7
119.08583	30.1
121.06501	6.1
121.10146	19.7
123.08062	5.9
123.11714	12.5
125.09621	7.4
129.06987	4.3
131.08574	18.3
133.10129	27.9
135.08083	7.5
135.11670	8.6
137.09610	3.3
137.13231	2.6
143.08594	3.9
145.06464	2.7
145.10118	21.4
147.11690	23.1
149.09608	24.3
149.13292	5.7
151.11206	3.8
155.08533	2.5
157.10109	4.9
159.11679	12.3
161.09692	2.9
161.13255	4.9
163.11183	13.5
165.12758	5.3
169.10156	5.1
171.11662	5.0
173.13263	5.8
175.11252	2.6
177.12703	5.1
183.11783	2.2
189.11212	4.3
191.14319	2.2
197.13264	4.6
201.12750	2.1
207.13785	1.9
227.12752	12.0
229.19466	4.2
239.17964	5.9
239.23665	5.3
247.20633	5.2
257.19016	12.6
275.20068	100.0
293.21075	12.5
313.27356	59.1
324.37335	1.9
331.22696	3.7
349.23727	41.6
587.38257	2.6
587.46814	41.4
605.48022	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01870	7.1
55.05514	32.0
57.03437	6.8
57.07080	24.3
59.05008	2.0
67.05506	44.8
69.03460	2.7
69.07075	17.5
71.05000	2.9
71.08638	18.0
75.66433	2.1
75.85159	2.0
79.05494	45.3
81.07063	40.8
83.04981	7.4
83.08616	15.9
85.10182	8.5
88.49910	2.1
89.06028	1.9
91.05486	32.6
93.07050	31.3
93.41542	1.8
95.04964	8.3
95.08611	31.2
97.06533	8.0
97.10175	16.1
97.71439	1.9
99.08098	2.6
105.07035	37.1
107.04972	16.7
107.08595	44.3
109.06495	4.4
109.10174	17.5
111.08102	4.2
117.07002	12.5
119.08582	20.3
121.06522	3.9
121.10126	13.7
123.08142	2.4
123.11718	7.1
125.09630	15.4
129.07013	4.7
131.08585	14.3
133.10138	22.2
135.08064	4.4
135.11703	5.0
143.08607	5.1
145.10135	27.4
147.11688	13.6
149.09636	27.8
149.13229	3.0
155.08525	2.3
157.10130	3.6
159.11734	9.0
161.13312	6.2
163.11237	8.0
164.49152	2.2
165.12836	2.0
169.10097	3.3
171.10214	2.3
171.11702	6.4
173.11807	3.0
173.13295	5.3
177.12766	2.7
181.12297	2.5
183.11725	4.5
189.11214	10.0
193.62354	2.0
197.13202	3.1
227.12778	31.3
229.19514	4.4
239.17934	4.3
247.20326	2.4
257.19012	18.1
275.20071	100.0
277.21497	4.0
293.21146	7.7
313.27368	53.1
331.22656	5.5
349.19901	3.0
349.23819	27.9
483.36639	3.7
529.93982	2.5
587.46814	42.5
605.48022	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	605.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.8
55.01866	14.5
55.05518	40.8
56.18222	3.2
57.03431	13.9
57.07074	2.8
61.82851	3.1
65.03941	4.9
67.05508	80.2
69.03447	17.4
69.07079	20.5
69.94024	12.1
71.04987	10.5
79.05076	5.5
79.05501	84.5
81.03428	94.0
81.07063	100.0
83.04991	19.2
83.08621	30.2
85.02918	18.8
85.06538	9.1
91.05493	81.9
93.07056	71.4
95.04974	55.5
95.08609	41.0
97.02914	16.3
97.06535	13.9
97.10186	16.0
99.04427	4.5
103.05488	8.4
105.06386	5.1
105.07040	47.3
107.04963	25.7
107.08606	38.0
109.02911	31.5
109.06522	14.6
109.10155	11.6
111.04455	12.6
111.08086	9.8
115.05466	13.0
117.07040	29.7
119.04942	10.0
119.08595	30.1
121.02929	4.1
121.06500	18.3
121.10165	21.2
121.42036	3.3
123.04401	11.6
123.08094	5.4
123.11746	5.0
125.02351	7.0
125.09624	9.0
127.03915	8.4
127.07580	3.3
128.06184	4.6
129.07030	21.7
131.04907	11.2
131.08586	33.1
133.06505	9.0
133.10159	26.0
135.08061	7.9
135.11700	13.0
137.06003	6.3
141.06992	8.3
142.07803	4.5
143.08553	12.9
145.06509	14.6
145.10106	16.3
147.04401	12.0
147.08067	12.2
147.11705	25.8
149.05984	12.4
149.09602	7.9
149.13243	14.4
151.11273	3.7
153.06940	3.9
155.08577	12.8
157.06519	5.5
157.10156	17.4
159.08119	10.3
159.11690	16.8
160.05295	3.4
161.06000	14.8
161.09645	8.8
163.11182	15.5
165.12805	9.3
166.07744	3.8
167.08633	4.8
169.10132	3.8
171.08058	11.8
171.11740	6.4
173.05965	8.8
175.07602	4.0
175.11220	10.6
177.12732	7.9
181.10211	5.1
183.08055	6.2
183.11642	5.9
183.93971	3.2
185.06104	3.5
185.09572	5.0
185.13249	4.8
187.07634	6.2
187.14873	3.7
189.05479	7.7
193.12238	17.1
195.11836	3.5
195.13806	9.3
199.07561	3.9
203.14307	6.0
205.12164	7.2
209.13382	3.7
211.07497	3.3
211.11353	3.4
211.13269	12.6
227.12645	4.6
227.14651	3.9
235.13318	4.8
249.14882	8.6
253.08199	3.6
255.13770	6.6
257.15390	3.4
259.13403	5.7
267.15976	9.1
269.17578	26.4
271.13248	3.7
273.14917	34.5
275.16345	5.4
277.14346	5.0
281.53973	3.8
283.13336	8.8
285.14774	5.4
289.14294	3.6
301.14456	30.6
303.15860	9.7
319.15408	18.1
321.17032	4.6
337.16550	4.4
344.29440	3.6
363.18408	4.3
375.17990	11.3
377.19321	3.8
393.19193	9.9
394.75818	3.2
395.20700	4.7
461.28625	7.9
477.26526	6.4
485.29074	3.8
513.28424	5.9
525.28192	5.7
545.30804	7.7
551.30005	9.0
557.31085	9.3
569.31287	32.4
587.32159	38.9
605.33203	82.4
606.33179	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	604.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	16.3
55.05505	35.6
57.07060	12.0
60.51743	11.0
62.66080	11.4
67.05497	41.8
69.07076	23.5
69.24049	100.0
75.37032	11.9
79.05485	21.5
81.07058	40.7
83.08617	31.3
91.05485	42.3
93.07054	32.0
95.04943	27.1
95.08591	30.0
98.21114	53.7
105.07028	45.6
107.08607	32.9
109.10175	16.5
111.47084	11.3
119.08593	35.3
121.06551	12.0
131.08578	23.6
133.10135	38.9
145.10107	14.7
145.39908	12.5
147.11806	20.1
149.09584	19.2
158.62057	10.9
159.11691	24.5
163.11313	18.9
177.12758	23.5
223.13341	20.7
267.60535	12.3
274.18777	14.3
275.20062	70.1
277.21661	16.2
293.21286	23.3
301.01303	13.1
507.24402	13.0
513.82745	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.2
55.01864	8.6
55.05314	4.5
55.05515	55.1
56.05852	5.7
57.03434	6.3
57.07065	15.1
65.25780	5.1
67.05506	58.5
69.03440	7.2
69.07065	22.4
71.05000	6.4
71.08624	8.7
71.27698	6.0
71.28024	6.7
73.96175	5.3
79.05507	63.9
81.03406	16.0
81.07054	69.7
82.07402	6.1
83.05002	10.9
83.08620	37.4
87.04493	11.7
91.05483	54.3
93.07050	69.8
95.04990	40.6
95.08613	56.3
97.06531	15.6
97.10189	22.6
98.63459	5.8
105.07043	56.8
107.04960	12.7
107.08606	32.1
109.06554	16.9
109.10178	26.0
111.08081	9.3
117.07037	21.0
119.08593	33.7
120.08909	7.4
120.13467	4.8
121.06518	13.7
121.10148	25.4
123.08080	13.6
125.09623	16.1
129.06944	7.2
131.08597	25.1
133.10156	35.3
135.08035	9.2
135.11702	15.9
143.08533	8.7
143.62988	6.6
145.10144	33.4
147.11691	15.8
149.09630	30.0
149.13231	8.4
157.10184	8.5
159.11739	18.3
163.11186	35.7
165.12750	9.7
173.09592	6.0
173.13322	8.7
175.11139	5.6
177.12741	9.0
179.14325	7.0
185.13335	7.0
189.11218	13.3
190.51582	5.4
223.13426	33.0
223.15575	5.6
239.17972	14.7
257.19089	12.5
263.16223	7.1
275.20068	100.0
277.21643	27.8
291.19370	15.7
292.19888	12.7
293.21146	38.4
414.18866	7.4
513.39716	5.6
545.25537	41.0
550.31134	5.3
573.24713	6.2
604.46326	23.7
605.27600	27.1
632.31958	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	603.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95585	1.2
53.03955	2.9
55.01883	8.8
55.05515	30.1
57.03431	3.7
57.07080	28.9
65.03944	1.9
67.04813	2.7
67.05202	3.9
67.05510	36.4
69.03445	6.5
69.07074	35.8
71.04977	1.3
71.08633	28.0
79.05075	2.0
79.05499	22.1
81.03443	4.6
81.07063	45.7
83.04975	4.4
83.08623	23.9
85.06543	1.8
85.10184	7.7
91.05486	17.7
93.07050	19.1
95.04958	11.1
95.08611	29.8
97.02898	7.8
97.06548	5.9
97.10182	16.6
99.08111	5.8
105.07042	14.1
107.04969	6.2
107.08607	12.0
109.06523	7.7
109.10172	15.2
111.08099	2.8
111.11751	4.0
112.18419	1.1
113.06002	2.3
115.05465	1.8
116.79002	1.1
117.07042	7.5
119.08591	13.3
121.06520	5.0
121.10137	10.8
123.08076	3.2
123.11713	5.8
125.09642	4.4
129.06972	2.9
131.08589	9.3
133.06483	2.4
133.10149	6.5
135.08061	5.3
135.11702	5.5
137.09637	2.3
137.13182	2.0
143.08580	3.6
145.06435	1.6
145.10159	6.3
147.08063	3.8
147.11726	4.7
149.09656	3.5
149.13301	4.5
151.11172	1.9
157.10162	2.8
159.11691	4.0
161.09613	2.9
161.13197	1.4
163.11203	2.0
165.09222	1.8
167.10718	1.3
171.11696	1.4
175.11263	1.9
177.12769	2.0
185.09613	1.5
189.11162	2.2
195.13811	2.3
205.12386	1.3
213.14877	1.5
217.15916	1.5
223.13258	11.3
227.12848	1.4
237.22202	5.4
239.23819	2.0
255.17598	2.7
273.18527	20.0
275.20123	5.9
291.19559	77.8
292.19986	2.1
293.21149	30.3
313.27383	6.4
347.22330	3.4
349.23871	2.1
365.23404	1.9
491.36905	1.4
505.38986	10.0
585.44989	3.2
603.46198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03119	1.4
51.47298	1.4
53.03948	5.3
55.01868	7.8
55.05514	36.7
57.03432	2.5
57.07077	4.4
57.79713	1.7
65.03949	2.6
65.98069	1.5
67.05508	38.0
69.03416	3.3
69.07075	17.3
69.31387	13.3
71.04989	2.7
71.08626	2.2
72.08838	1.6
79.05071	2.8
79.05496	34.9
81.03419	10.8
81.07056	37.6
83.04985	8.4
83.08154	2.5
83.08625	31.6
85.06535	2.4
91.05484	35.1
93.07053	35.1
95.04970	48.3
95.05577	2.7
95.08615	26.1
97.06525	6.2
97.10170	7.5
105.07039	35.4
107.04961	13.1
107.08606	21.5
109.06533	10.2
109.10141	10.4
111.08041	7.7
113.05987	1.9
113.09675	1.9
113.61877	1.6
117.07015	14.7
119.08582	26.3
121.06494	7.0
121.10172	17.5
123.08073	7.6
125.09640	8.1
129.07007	5.1
131.08580	16.8
133.06442	2.2
133.10149	23.4
135.08054	7.6
135.11697	7.5
137.09621	4.5
139.11165	2.3
141.06973	2.5
143.08601	4.9
145.06564	1.7
145.10123	25.6
147.08064	5.3
147.11691	15.8
149.09621	28.6
151.11230	6.4
153.09097	1.8
155.08591	3.1
157.10149	5.8
159.11690	10.2
161.09712	4.4
161.13298	3.9
163.11183	31.9
165.12794	4.3
169.10123	3.2
171.11684	4.3
173.09612	3.9
173.13239	6.9
175.11220	2.0
177.12766	4.5
179.10806	1.9
179.14452	2.1
183.11720	2.7
185.13167	3.1
187.11238	2.4
189.11218	5.2
197.13249	5.1
201.12650	1.6
205.12210	3.6
223.13290	30.1
229.19534	4.7
239.17975	10.9
242.95764	1.8
247.20522	3.0
257.19037	15.2
275.20078	100.0
291.19626	4.6
293.17834	3.2
293.21124	61.6
386.29138	1.7
428.14719	1.8
472.20209	1.9
549.40460	2.0
603.45557	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81654	2.5
53.03938	6.2
55.01854	11.1
55.05269	4.4
55.05513	46.1
57.03432	3.7
57.07064	6.5
67.05186	3.7
67.05507	54.4
67.51862	3.0
69.03428	3.4
69.07065	26.5
69.59537	7.5
69.59958	9.1
71.04996	3.3
71.08633	3.3
79.05501	57.1
80.72651	2.6
81.03425	14.0
81.07058	61.3
83.04974	10.5
83.08621	44.0
85.02907	4.4
85.06531	4.4
87.27608	2.9
91.05490	46.9
93.07043	44.4
95.04967	75.0
95.08611	35.8
95.11589	2.8
97.06510	10.7
97.10181	16.1
99.63076	2.7
105.07031	39.8
106.07384	3.4
107.04958	20.0
107.08601	31.9
109.06509	16.7
109.10166	19.2
111.04407	4.3
111.08101	17.6
115.05470	3.0
117.07008	19.4
119.08591	39.6
121.06506	10.4
121.10157	24.1
123.08080	10.5
123.11686	4.9
125.09631	12.5
129.07007	10.1
131.08557	21.2
133.10149	28.3
135.08070	8.7
135.11710	16.4
137.09622	5.8
139.11314	3.1
143.08574	7.9
145.10149	31.8
147.08029	9.6
147.11688	16.7
149.09634	29.3
151.11227	4.8
153.33789	3.0
155.08591	3.7
157.10115	8.9
159.11732	16.6
161.09596	11.2
161.13266	7.7
163.11185	45.1
165.12746	6.3
169.10254	5.8
171.11694	5.0
173.09627	5.2
173.13260	6.8
175.11214	3.1
177.12761	4.3
181.12248	3.9
183.11597	3.0
187.11201	4.7
189.11259	13.2
191.10707	3.4
197.13226	5.1
205.12320	6.1
221.15393	4.6
223.13316	53.7
229.19475	4.4
239.17845	9.4
247.20509	4.4
257.19135	16.6
273.18445	11.9
275.20078	100.0
277.21591	10.3
291.19519	26.0
293.21091	88.2
295.22681	5.5
313.27283	5.8
603.45129	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	603.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.1
55.01883	15.0
55.05515	40.4
57.03432	12.3
63.17194	3.2
67.05507	46.5
69.03432	12.5
69.07083	16.8
69.33340	24.1
71.04989	6.2
78.01779	3.3
79.05495	56.0
81.03419	57.9
81.07061	50.0
83.04986	17.0
83.08622	21.9
85.02927	17.6
85.06521	3.0
91.05495	55.1
93.07047	31.5
95.04967	50.7
95.08595	21.5
97.02882	6.2
97.06483	3.9
97.10179	20.3
99.04460	3.2
103.05486	8.2
105.07037	36.2
107.04951	20.3
107.08598	24.3
109.02882	10.5
109.06516	7.4
109.10199	7.1
111.04427	15.1
111.08089	9.2
115.05433	15.4
116.06239	2.9
117.07029	21.8
119.04943	8.8
119.08598	25.1
121.02919	8.2
121.06518	15.1
121.10196	15.3
123.04436	8.0
123.08072	6.5
123.11743	3.2
125.09644	10.7
128.06226	9.0
129.07005	21.8
131.04933	19.1
131.08598	15.5
133.06526	16.7
133.10155	13.6
135.04399	3.7
135.08066	10.1
135.11699	5.6
137.02364	10.9
137.05884	4.6
137.09659	3.6
141.06978	8.4
142.07765	6.9
143.08568	9.0
145.06473	22.9
145.10117	14.3
147.04419	14.6
147.08043	11.6
147.11690	12.8
149.05981	4.7
149.09636	6.4
153.07013	5.6
155.08563	9.5
157.06497	13.3
157.10161	13.9
159.08041	9.8
159.11717	4.7
161.06021	22.5
161.09615	6.3
163.03874	3.9
163.07536	4.1
163.11195	11.7
165.06906	3.8
167.08557	5.0
169.06473	6.3
169.10246	5.3
171.04364	3.9
171.08070	9.6
173.05980	30.8
173.09648	10.2
174.06764	10.4
174.99356	3.4
175.03909	6.5
175.07605	5.4
175.11211	9.7
181.06534	6.6
181.10191	3.9
183.07932	6.9
183.11662	3.1
185.05984	9.0
185.09654	7.2
187.07512	15.7
188.37523	3.1
189.05449	22.0
189.11165	4.3
191.10774	3.9
193.12288	23.7
195.08080	6.1
197.05991	6.0
197.09663	3.3
199.03909	6.3
199.07544	5.9
200.08322	3.4
201.09071	4.8
203.14287	2.9
211.07568	6.2
211.13269	25.5
213.08980	3.7
213.12585	3.1
217.04904	3.4
222.65477	3.6
225.05542	3.1
227.12711	7.7
229.12129	3.4
237.12840	3.3
255.13802	11.3
257.15439	4.6
267.16104	6.0
269.15625	3.2
273.14771	28.4
283.13187	15.7
285.14453	6.8
285.17413	18.3
289.14331	5.1
293.98892	3.5
295.16815	3.6
297.14694	4.4
301.14365	80.4
303.15802	8.5
313.14352	4.6
315.15915	7.9
319.15372	9.5
337.14340	4.5
341.17502	17.2
343.15442	11.2
346.10022	3.5
357.16895	5.9
359.18478	6.2
375.18103	17.0
393.19122	6.4
447.25250	5.4
457.23831	3.3
465.26050	4.3
475.25098	5.3
477.62402	3.2
493.25894	11.6
511.26755	9.6
529.26807	4.1
539.29565	3.9
543.29425	12.7
555.28949	3.5
567.29596	20.5
573.30383	11.9
585.30652	100.0
603.31616	80.4
604.32446	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	603.3166
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02374	3.0
53.03951	11.5
55.01881	12.9
55.05272	3.3
55.05515	36.1
55.98788	2.0
57.03444	13.2
59.57637	2.0
59.71140	2.2
67.05511	49.6
68.99764	2.0
69.03425	10.0
69.07069	11.9
71.01357	3.7
71.04993	8.7
77.03918	2.3
79.05498	53.3
81.03423	84.2
81.07064	48.7
83.04979	20.9
83.08627	25.2
85.02915	32.9
91.05486	67.5
93.07048	34.4
95.04972	64.5
95.08622	19.4
97.02911	5.5
97.06525	9.1
97.10181	16.6
98.21519	5.4
103.05478	12.7
105.04527	2.1
105.07037	45.4
105.64417	2.0
107.04958	25.5
107.08115	1.8
107.08623	20.0
109.02898	21.1
109.06530	10.2
109.10172	6.3
111.04430	11.8
111.08094	9.1
113.06020	2.8
115.05468	12.5
117.07030	21.6
119.04957	11.2
119.08595	27.5
121.02885	9.9
121.06513	17.4
121.10146	13.0
123.04452	8.7
123.08114	5.8
123.11679	4.0
125.09633	11.2
127.03914	3.9
128.06242	8.0
129.07002	21.6
131.04941	19.2
131.08578	21.6
133.06494	18.6
133.10149	14.4
135.04437	5.3
135.08087	10.0
135.11728	7.5
137.02373	7.7
137.06012	4.1
141.07022	5.7
142.07814	5.1
143.08574	10.5
145.06470	23.4
145.10149	16.9
147.04437	17.6
147.08041	15.2
147.11705	15.0
149.06027	10.5
149.09659	10.6
151.03975	3.0
151.07684	2.1
153.07014	5.0
153.09117	2.5
153.12804	5.0
155.08553	7.1
157.06520	9.6
157.10126	13.6
159.04437	4.5
159.08147	10.5
160.05231	6.5
161.05981	28.5
161.09653	4.1
163.03955	2.2
163.07503	2.8
163.11214	13.6
165.05525	2.3
165.06941	2.6
165.12817	2.9
167.08658	5.1
169.06540	4.5
169.10133	5.6
171.08070	7.8
171.10274	2.6
171.11658	3.7
173.06017	27.7
173.09692	8.0
174.06850	8.0
175.03989	3.1
175.07582	8.2
175.11230	13.8
179.08585	2.6
181.06503	4.1
181.10201	6.1
181.12276	5.3
183.08044	4.3
183.11624	2.5
185.06047	4.0
185.09709	5.8
186.06796	5.4
187.07565	17.3
187.11194	2.6
189.05498	28.7
189.09239	3.1
189.11270	5.5
189.12828	3.0
190.06288	2.8
191.10750	4.5
193.12262	36.0
195.08136	3.8
195.11699	2.9
197.09645	3.5
199.07603	7.1
199.11285	2.4
200.08287	3.5
201.09200	4.8
202.06177	2.5
203.07082	3.3
203.10773	2.7
207.95833	2.4
211.07782	2.2
211.11331	2.9
211.13272	41.7
213.09160	2.8
213.12848	3.7
219.11697	2.5
227.12852	8.0
237.12756	5.0
241.12335	3.6
255.13939	9.6
257.15469	8.5
259.13330	2.9
265.12329	3.1
267.15988	9.4
271.13379	4.5
273.14890	32.3
275.12619	2.9
283.13138	16.1
285.14798	9.9
285.17508	16.1
287.16553	3.9
289.14417	6.4
291.15927	3.4
298.23471	2.3
301.14343	91.5
303.15994	5.8
315.16019	2.6
319.15497	18.7
323.16251	2.9
341.17752	4.2
357.17023	5.7
359.18726	3.5
375.18079	24.5
387.40182	2.4
393.19351	7.0
409.07538	2.2
441.26160	2.3
447.25458	2.7
459.27463	4.0
475.25015	4.5
493.25995	6.1
511.26801	7.7
529.27496	3.8
539.29987	4.9
549.28668	2.4
555.30017	3.3
557.31641	3.6
567.29443	11.9
573.30695	23.2
585.30634	83.8
603.31769	100.0
604.32098	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	602.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01878	12.9
55.05514	28.8
56.05838	3.3
57.03436	4.1
57.07072	9.1
65.03935	2.8
67.05506	45.9
69.03426	4.1
69.07062	31.2
71.04995	6.0
71.08655	4.2
71.49111	3.0
79.05495	56.0
81.03415	15.5
81.07059	68.1
83.04972	23.0
83.08619	16.2
85.06560	3.9
89.02280	2.9
91.05479	37.2
93.07042	62.3
95.05004	11.9
95.08613	38.5
97.02926	3.4
97.06545	13.1
97.10177	11.0
99.04427	3.2
105.07034	38.4
107.04973	16.6
107.08595	38.0
109.02902	9.1
109.06531	14.1
109.10154	19.1
111.04443	9.6
111.08083	7.4
117.07030	19.5
119.08591	32.0
121.06491	11.5
121.10159	24.6
123.04456	9.4
123.08082	7.4
125.09631	7.7
129.07011	7.1
129.69464	2.6
131.08578	20.1
133.06488	5.8
133.10161	20.3
134.10454	3.6
135.08057	29.5
135.11699	18.8
137.05876	3.8
137.09624	6.7
139.07553	2.7
142.07819	4.1
143.08582	10.5
145.06509	7.2
145.10127	21.7
147.08054	7.6
147.11688	8.8
149.09604	6.0
149.13269	5.7
151.11163	4.4
153.09088	3.6
153.12735	20.4
155.08539	3.2
157.10123	11.0
158.10477	3.2
159.08093	8.3
159.11705	12.4
161.09630	10.1
161.13269	5.6
163.07544	20.5
163.11194	14.5
163.14854	3.2
165.09076	5.8
166.09511	4.1
169.10100	4.8
171.08121	2.7
171.11694	5.1
173.09619	3.9
173.13219	6.1
175.11162	4.2
181.12233	13.3
183.11731	5.1
189.11191	5.1
191.10727	5.5
193.12256	100.0
197.13086	2.6
199.14738	2.9
207.13995	2.8
209.11783	8.4
215.18127	2.8
221.15390	5.7
222.15881	4.0
227.12755	30.7
231.95877	2.6
239.12567	3.5
243.17532	5.8
243.20961	3.1
258.25247	2.4
261.18521	9.5
261.22122	11.9
268.02161	2.3
271.17007	9.5
273.18524	4.8
275.20081	5.5
276.20468	3.1
277.21487	3.1
286.19138	2.8
289.17999	93.8
290.18414	3.4
291.19577	10.1
292.19968	6.0
307.19061	30.8
313.27145	3.4
394.28360	3.4
422.31851	2.7
451.32013	4.7
469.32932	6.7
503.82980	2.6
567.40698	4.2
584.42194	2.6
602.43158	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	602.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80629	1.3
53.03937	2.8
55.01872	5.9
55.05271	2.6
55.05516	30.3
57.07064	2.1
63.90698	1.3
65.03937	2.7
67.05509	34.6
69.03439	1.9
69.07076	19.0
69.14912	7.3
69.15342	7.3
71.05000	3.2
71.08644	2.2
72.04522	5.4
79.05500	28.8
81.03428	7.4
81.07063	34.5
83.04971	6.5
83.08624	22.8
84.28350	1.3
90.79485	1.6
91.05490	34.0
93.06483	2.6
93.07050	29.5
95.04968	22.4
95.08621	22.0
97.06503	7.3
97.10162	5.5
105.07042	36.5
107.04962	12.5
107.08606	21.9
109.06537	4.7
109.10152	13.1
111.08093	7.2
117.07033	13.3
119.08590	29.2
121.06524	6.2
121.10141	15.8
123.08064	4.9
123.11726	2.1
125.09618	6.8
128.06248	1.6
129.07010	2.4
131.08575	17.5
133.06569	1.7
133.10138	23.7
135.08084	6.0
135.11720	8.0
137.09630	5.1
139.32977	1.5
141.06998	2.8
143.08585	2.8
145.06485	1.7
145.10127	20.9
147.08058	5.2
147.11694	14.1
149.09630	27.9
149.13246	3.1
151.11169	2.8
153.09123	1.6
155.08536	4.3
157.10094	7.4
159.07965	1.3
159.11693	12.9
161.09665	3.3
161.13248	5.4
163.11183	27.5
165.12755	3.8
169.10191	4.3
171.11714	5.9
173.09656	3.7
173.13272	5.9
175.11209	4.4
175.14787	1.7
177.12721	5.4
183.11710	5.0
185.13339	1.7
187.11145	2.7
187.14735	1.8
189.11226	4.6
189.12762	1.7
191.14449	2.2
193.12277	1.9
197.13231	3.3
199.14864	2.2
201.12808	1.8
205.12294	1.9
207.13971	1.9
223.13301	12.9
225.37233	1.3
229.19562	3.8
239.17982	8.5
247.20654	2.9
257.19040	13.9
275.20087	100.0
290.21588	1.7
291.19559	3.0
293.21091	31.5
336.28647	1.3
344.46790	1.4
362.31784	1.8
396.25391	2.1
602.44751	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	602.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51953	4.4
53.03944	7.1
55.01862	5.5
55.05515	35.6
56.05028	12.9
56.82386	4.7
57.03421	5.5
57.07080	6.7
60.38507	4.5
67.05219	5.4
67.05512	46.5
69.07066	26.9
71.48744	6.6
71.49133	6.2
79.05505	35.0
81.03409	9.8
81.07065	72.7
83.04983	12.3
83.08607	27.7
91.05484	42.4
93.07063	30.7
95.04971	30.8
95.08623	34.9
97.06540	6.3
97.10205	6.4
98.09696	79.6
105.07025	36.5
105.21613	4.7
107.04952	10.8
107.08613	24.6
109.06538	5.4
109.10166	22.9
111.08096	7.3
117.07008	19.3
119.08590	39.0
121.10126	19.7
129.07014	6.2
131.08580	23.1
133.10175	26.0
135.08105	9.0
135.11674	8.2
137.09656	6.1
143.08589	7.2
145.10123	19.7
147.08110	5.3
147.11679	16.9
149.09610	19.3
149.13298	8.8
151.11176	10.3
155.06610	5.9
157.10081	14.9
159.11697	17.2
163.11189	28.0
165.12776	7.0
167.78358	4.9
169.10144	9.6
171.11546	7.2
173.13289	8.8
174.89786	5.0
175.11093	4.6
177.12747	9.8
185.00679	5.6
197.13127	6.0
210.11063	5.2
211.14864	6.7
223.13306	14.3
229.19450	6.7
239.17957	11.3
257.19009	10.9
275.20078	100.0
283.06433	5.2
291.19611	10.2
293.21121	28.9
299.45685	5.1
304.93774	6.3
452.31189	5.4
485.20572	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	602.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35153	2.0
53.03943	6.0
54.24564	2.0
55.01884	6.8
55.05515	29.9
67.05511	27.7
69.07073	14.0
69.17913	22.6
71.08621	2.9
79.05504	24.2
80.05815	2.5
81.03403	10.7
81.07059	35.0
83.04987	6.9
83.08624	24.0
86.04353	2.1
91.05491	32.2
93.07050	26.8
95.04981	31.0
95.08624	20.1
97.06538	7.7
97.10185	9.8
98.20798	4.3
105.07028	28.9
107.04964	12.3
107.08603	22.9
109.06528	8.2
109.10177	6.8
111.08095	6.8
115.05493	2.3
117.07016	14.5
119.08608	24.9
121.06508	4.6
121.10165	15.7
123.08101	7.0
123.11613	2.6
125.09621	6.4
129.07077	4.3
131.08557	16.5
133.10150	20.7
135.08067	5.8
135.11703	6.6
137.09572	2.4
143.08600	4.2
145.06499	2.6
145.10118	22.1
147.08002	2.8
147.11699	10.9
149.09653	19.4
151.11159	4.0
155.08577	4.3
156.75815	2.2
157.10202	3.3
158.78378	2.2
159.11716	10.2
161.13266	3.8
161.81410	2.0
163.11197	23.0
165.12779	3.5
169.10063	3.9
171.11682	5.6
173.09671	4.0
173.13313	4.5
175.11050	2.4
177.12772	3.5
179.14435	2.6
183.11684	2.3
187.11255	2.8
191.10573	4.0
197.13199	3.8
211.14743	2.4
211.36040	2.1
223.13254	18.7
229.19519	3.9
239.17906	10.2
257.19080	17.6
275.20084	100.0
276.20520	2.4
293.21133	42.1
435.73111	2.2
476.66467	2.6
602.45160	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	602.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01877	1.5
55.05306	0.8
55.05518	8.2
55.12315	0.8
55.70601	0.8
57.07075	1.5
57.98816	1.0
58.99590	10.8
65.03943	1.7
67.05507	18.7
69.07072	7.4
69.84234	3.4
71.04984	1.6
73.01154	0.8
74.00673	5.4
76.02230	17.7
76.04002	1.6
79.05494	25.0
81.07059	21.3
83.04976	1.2
83.06094	2.5
83.08625	5.0
84.04504	10.7
85.06540	1.7
86.15431	0.8
86.99049	2.8
88.02216	2.0
91.05488	15.6
93.07047	38.3
95.04991	2.2
95.08610	18.3
97.01135	1.5
97.06515	1.2
97.10158	2.9
99.05570	2.0
105.04551	1.1
105.07037	13.1
107.04916	1.0
107.08604	26.9
109.06529	1.2
109.10158	7.2
111.02652	1.1
116.01680	20.7
117.07038	5.1
119.08585	10.4
120.02614	0.8
121.06480	1.1
121.10149	15.6
123.02770	0.8
123.08048	1.6
123.11683	1.9
125.04213	1.5
125.09609	1.1
129.06642	3.6
130.05008	5.9
131.08595	7.0
133.10124	9.2
135.08159	1.1
135.11699	19.6
137.04248	1.3
137.09570	0.9
142.03249	6.2
143.08569	3.4
144.01144	9.9
145.06065	3.9
145.10118	4.9
147.11720	7.9
149.09637	1.6
149.12204	1.3
149.13275	12.8
151.07619	1.0
153.06592	1.4
157.10193	1.3
159.11713	3.9
161.13283	4.0
162.02209	43.8
163.11267	1.0
163.14809	3.6
170.02805	1.2
171.11688	2.7
173.13290	3.1
175.14839	2.0
177.03267	1.4
179.04854	15.0
181.30600	1.0
181.95665	0.8
185.03893	1.3
185.13258	3.3
187.05367	1.3
189.12758	1.1
195.13823	1.2
199.14833	1.4
207.13832	2.2
209.15427	1.1
221.15349	2.5
224.16461	2.1
231.04367	1.4
231.17487	1.3
233.05844	1.6
235.16991	2.3
239.17978	1.1
241.19582	2.9
242.06136	1.0
245.05911	1.6
259.20590	8.5
268.74661	0.9
275.20114	3.5
277.21628	100.0
278.22037	1.3
289.16208	1.0
291.17770	2.7
295.22617	1.7
307.17258	2.9
308.09152	4.6
309.18756	5.0
334.21951	2.5
335.20428	2.6
352.23141	5.0
362.21375	1.3
370.24097	22.6
380.22723	1.1
403.05377	1.0
420.22086	1.5
438.22958	4.8
455.25769	15.6
456.24265	3.5
473.26825	21.5
509.26498	1.6
524.56506	0.9
527.27802	15.1
584.30048	2.2
585.28235	1.0
602.31055	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	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
53.82296	3.1
55.01865	6.3
55.05516	30.4
57.03413	4.3
57.07074	22.4
59.04984	5.9
59.79157	3.7
65.03948	4.5
67.05513	41.8
69.03426	11.7
69.07071	24.5
71.04978	3.3
71.08630	5.1
71.49436	4.1
77.03953	3.5
79.05494	32.0
81.03384	3.3
81.07060	54.7
83.04968	8.4
83.08605	11.6
85.06523	11.1
87.04465	5.4
89.06016	7.2
91.05484	52.2
93.07046	69.0
95.04986	18.0
95.08611	47.5
97.06522	7.7
97.10170	5.4
103.05431	6.9
105.07038	67.1
107.04961	8.5
107.08609	35.0
109.06532	21.9
109.10171	24.1
113.06009	5.7
115.05441	7.6
117.07021	18.5
119.08585	59.2
120.08913	5.5
121.06519	12.0
121.09438	4.2
121.10162	40.8
123.08071	24.4
125.05981	3.8
128.06218	5.5
129.06999	12.2
130.07715	5.7
131.08578	34.0
133.10133	34.0
135.08058	27.4
135.11682	11.2
137.09647	18.7
141.07013	4.6
142.07768	13.1
143.08543	21.7
144.09370	4.4
145.10139	43.3
146.10449	6.3
147.08041	30.2
147.11658	13.6
149.09619	13.1
151.07553	15.2
155.08559	9.9
156.09320	7.0
157.10149	34.7
158.10652	4.8
159.08005	10.6
159.11708	34.2
161.09604	9.7
161.13237	6.7
163.11174	12.9
165.09087	41.3
166.09387	3.8
167.08548	4.9
169.10104	18.3
170.10904	4.4
171.11694	14.8
173.09633	6.5
173.13283	9.8
175.11217	11.6
175.14786	5.6
179.08411	3.9
181.10103	6.5
181.12224	12.8
182.10855	5.1
183.11673	13.9
184.12207	3.9
185.13290	9.3
187.11133	7.3
189.12779	8.4
191.10719	6.1
191.14243	8.5
193.10181	6.3
193.12239	14.6
194.10750	3.8
195.11766	9.7
197.13251	12.9
203.14380	22.0
207.11697	7.1
207.13727	5.1
208.14487	5.3
209.11655	5.7
209.13336	8.1
211.14832	5.9
221.13474	4.6
221.15373	100.0
222.15733	14.2
223.14972	6.3
234.16147	6.3
247.17058	8.1
248.17300	6.0
250.16870	4.2
257.19101	4.3
258.87161	3.1
271.16898	5.6
273.18497	9.4
275.20090	17.5
283.20322	4.8
286.19223	4.4
287.20038	5.1
289.18021	14.4
291.19510	19.6
309.21686	4.5
352.24017	6.7
353.24210	9.7
361.24304	4.1
367.26239	7.1
393.27945	21.8
420.30396	5.6
421.30676	3.7
428.28452	4.9
440.29349	5.2
441.29550	10.4
509.36032	4.3
521.35852	9.7
583.40961	13.6
601.42413	58.2
601.55731	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	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
54.82481	2.1
55.01882	4.0
55.05515	15.4
55.73492	2.0
56.17458	2.1
57.03414	2.7
57.07070	10.3
59.04989	3.6
63.91813	2.2
67.05506	17.5
67.84067	2.0
69.03426	7.2
69.07079	15.7
70.02602	5.8
70.03018	5.7
74.10793	2.1
74.36163	2.2
79.05493	20.2
81.07066	30.6
83.04978	8.5
83.08621	6.9
91.05492	29.3
93.07048	35.2
95.04972	15.3
95.08617	26.8
97.06522	4.9
97.10182	3.7
97.81964	2.3
98.20762	3.0
105.07030	42.2
107.04919	3.6
107.08598	25.9
108.08901	2.2
109.06521	12.8
109.10157	14.2
111.08066	4.4
111.29498	2.2
113.06048	2.6
115.05492	4.0
117.07025	11.2
119.08594	44.9
120.08938	4.1
121.06514	6.6
121.10165	27.8
122.10432	3.0
123.08085	15.3
123.11739	6.1
125.06030	4.0
125.09617	3.5
128.06223	5.1
129.06987	9.8
130.07814	5.7
131.08559	22.0
133.10143	26.0
135.08080	12.8
135.11697	10.1
137.09607	13.4
141.06984	4.8
142.07784	6.6
143.08560	15.9
144.09328	3.2
145.10141	30.5
147.08063	19.5
147.11694	10.2
149.09599	5.7
151.07553	15.6
154.67514	2.3
155.08514	7.0
156.09319	5.0
157.10172	22.8
158.10690	2.4
159.08011	4.3
159.11728	19.2
161.09604	6.9
161.13297	8.8
163.11195	9.3
165.09135	40.2
168.09358	2.5
169.10173	10.7
170.10883	2.6
171.11714	14.7
172.12402	2.4
173.09642	2.6
173.13228	9.3
175.11240	4.9
175.14865	8.0
177.09113	3.4
179.08539	2.5
181.10118	4.3
181.12248	8.4
183.11681	11.6
185.13257	10.4
185.92349	2.4
187.14810	7.8
189.12746	5.2
191.10748	4.7
191.14255	2.5
193.12207	2.4
194.10893	3.2
195.11734	5.7
197.13245	7.6
199.14864	3.3
203.14400	12.7
206.10982	2.5
207.11819	2.5
207.13776	6.3
209.13217	7.9
209.15344	2.6
211.14772	3.7
221.13432	6.0
221.15375	100.0
222.15764	6.0
223.11330	2.8
223.14885	2.4
233.15279	3.2
235.14766	2.6
247.16934	3.9
248.17480	2.6
249.16254	2.9
271.16827	3.5
275.20032	7.0
276.20300	5.0
277.20877	2.3
286.19299	2.5
287.19888	3.6
289.18143	3.1
291.19464	3.5
300.20721	5.3
301.21613	5.4
312.20575	2.5
313.21710	3.2
367.26352	4.9
393.27945	5.7
491.34998	9.8
509.35651	4.5
583.41577	11.7
601.42346	39.3
601.56299	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	601.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01876	9.6
55.05516	23.3
57.03421	2.2
57.62595	1.7
64.52998	1.6
65.03928	2.1
67.05512	29.3
69.03422	2.9
69.07080	9.2
69.41180	3.0
69.41579	9.5
70.26859	1.5
71.04998	1.7
79.05500	40.4
81.03421	5.8
81.07061	64.5
81.42208	1.5
83.04986	12.6
83.08626	14.4
85.06541	3.7
91.05490	28.4
93.07050	27.0
95.04976	32.8
95.08618	15.4
97.06535	6.2
97.10184	10.5
99.49189	2.1
105.07032	26.4
107.04950	13.0
107.08611	22.9
109.06528	29.2
109.10184	8.2
111.04459	9.1
111.08092	6.9
115.05500	2.2
117.07005	13.0
119.04961	1.6
119.08596	28.8
120.08876	1.8
121.06512	9.3
121.10144	12.9
123.08041	8.0
125.09639	9.9
129.07025	8.9
130.52107	1.6
131.08554	15.9
133.06523	2.8
133.10162	12.0
135.08067	5.0
135.11722	8.3
137.09622	4.9
139.11212	1.7
141.06982	2.0
143.08556	7.3
145.10121	22.9
147.08058	10.4
147.11697	7.2
149.09615	18.3
151.07520	2.2
151.11229	3.7
153.12753	2.7
155.08542	3.4
157.10135	5.8
159.08086	3.4
159.11685	9.0
161.09645	5.7
161.13298	2.2
163.11203	21.6
165.09119	4.9
167.05643	1.5
169.10158	3.1
171.11693	3.6
173.09624	3.2
173.13258	3.6
175.11244	2.1
175.14873	2.4
181.12326	2.7
183.11665	3.1
185.13239	3.6
187.11221	3.0
187.14801	1.6
189.11249	5.2
189.12741	1.8
191.10692	5.3
193.12227	3.5
196.78487	1.8
201.12938	1.6
205.12311	2.8
221.15450	1.8
223.13263	17.6
227.12776	2.5
229.19592	1.6
239.17958	3.0
249.14894	4.8
257.18961	3.7
273.18515	18.9
275.20074	30.1
291.19553	100.0
293.21066	13.1
309.20453	2.0
340.68494	1.8
353.24084	2.4
365.01059	2.0
498.54269	1.7
530.91327	1.7
599.37183	1.8
601.41431	3.3
602.72937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01881	10.2
55.05509	24.5
57.07074	7.2
65.03935	4.4
67.05505	60.7
68.91440	2.2
69.03424	3.1
69.07072	20.5
71.08634	24.8
71.50797	3.6
79.05493	67.8
81.03409	9.0
81.07056	79.7
83.04988	13.3
83.08618	15.7
85.06489	3.1
89.06009	2.5
91.05479	52.0
91.06032	3.6
93.07047	73.6
95.04956	17.4
95.08611	46.7
95.09182	4.1
97.06523	21.0
97.10166	7.4
99.08105	16.9
103.05488	1.9
105.04529	3.9
105.07031	48.2
107.04951	16.8
107.08596	45.1
109.06499	10.4
109.10148	16.6
111.08082	6.4
113.09647	2.6
115.05461	3.4
117.07024	12.0
119.08581	40.1
121.06517	6.9
121.10141	36.2
123.08086	9.9
123.11680	2.6
125.09635	5.3
128.06172	3.3
129.07007	6.4
131.08539	18.9
133.06497	3.7
133.10136	27.2
135.07997	9.7
135.11700	43.4
137.06006	2.9
137.09625	6.0
141.09074	4.7
143.08559	7.9
145.06470	4.2
145.10136	17.5
147.08040	7.3
147.11710	12.0
149.09578	7.5
149.13208	10.4
151.07500	2.9
151.11172	12.7
153.09094	2.1
154.66826	2.0
157.10123	7.1
159.08067	4.7
159.11700	13.1
161.09634	6.8
161.13269	13.5
163.11163	14.3
163.14835	2.0
165.09088	8.6
165.12723	3.4
169.10110	5.5
171.11668	6.5
173.09659	2.6
173.13239	4.7
175.11136	4.7
175.14774	4.7
177.07332	2.0
177.09206	2.0
177.12790	6.3
179.10606	2.9
179.14308	100.0
181.12241	6.1
183.11711	3.4
185.13240	3.3
189.12830	4.1
193.12271	9.9
197.13220	4.3
199.14824	2.3
201.12822	2.4
203.14349	2.3
207.13988	2.9
209.13177	2.4
215.18100	2.4
221.15315	15.6
235.16856	6.0
241.19391	2.5
257.18997	2.9
259.20612	7.8
271.17099	3.8
273.18698	3.9
275.20047	24.7
277.21622	53.4
289.17981	25.5
291.19589	10.3
293.20926	2.8
307.19077	4.2
353.24274	2.8
383.58820	2.4
449.30182	2.6
457.37952	2.4
467.31470	7.1
565.38257	2.8
582.11749	2.5
583.39948	5.9
601.42609	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	601.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
51.65272	1.4
52.76745	1.6
53.03935	6.6
55.01874	12.0
55.05512	46.5
57.03429	4.4
57.07065	2.9
64.23193	1.4
65.03929	4.9
67.05506	52.9
69.03429	4.1
69.07066	19.5
71.04993	5.1
71.49564	1.8
75.23807	1.5
79.05492	56.0
81.03423	10.5
81.07058	100.0
83.04990	16.5
83.08148	2.9
83.08620	37.8
85.02908	2.6
85.06549	2.9
87.04488	2.2
89.06042	12.0
90.06387	2.4
91.05487	48.7
93.03395	2.1
93.06584	2.0
93.07043	49.3
94.07352	2.0
95.04967	40.2
95.08608	32.1
97.06532	13.4
97.10172	15.2
99.08074	1.9
102.10884	1.8
103.05476	2.4
105.07037	51.5
107.04943	19.7
107.08598	35.4
109.06519	16.4
109.10156	19.6
111.04455	12.0
111.08076	10.1
117.07024	18.4
119.04942	4.9
119.08582	46.2
119.93273	1.4
120.08904	1.7
121.06492	13.4
121.10150	25.1
123.08058	17.9
123.11697	5.0
125.09624	9.9
128.06216	5.7
129.07053	9.2
130.07811	2.2
131.08580	28.9
133.06459	4.5
133.08566	4.3
133.10139	29.1
135.08057	11.8
135.11713	14.4
137.09618	7.0
139.11209	2.3
141.07033	3.0
141.09138	1.5
142.07788	2.7
143.08554	7.8
144.53853	1.6
145.06491	2.7
145.10121	37.5
147.04399	14.7
147.08052	13.9
147.11678	14.3
149.09628	32.5
149.13240	3.4
151.07594	2.1
151.11201	4.1
153.09103	2.1
153.12769	6.2
155.08560	6.9
156.09311	2.1
157.10110	12.7
159.07964	3.0
159.11691	14.3
161.09589	7.9
161.13263	5.1
163.11186	39.4
165.09082	4.7
165.12750	7.7
167.08586	2.0
167.10655	3.6
169.10185	8.6
171.11661	7.1
173.09569	7.1
173.13304	8.8
175.11211	4.1
175.14897	2.6
177.12761	4.2
179.08629	2.2
181.12245	7.8
182.10809	1.7
183.11702	7.2
185.13229	4.4
187.11194	3.8
187.14827	4.5
189.11174	8.3
189.12726	3.5
189.16373	3.0
191.10712	7.5
191.14261	2.5
193.12321	2.5
195.11729	2.6
196.12134	1.7
197.13249	4.5
199.14839	2.2
201.12651	2.2
201.16376	3.3
203.17883	1.5
205.12204	2.3
209.11673	2.9
211.14853	3.0
213.12639	1.8
213.16370	2.9
215.17860	3.7
221.15372	2.8
223.13245	27.3
227.12665	8.9
227.17934	3.0
229.19556	4.5
233.15356	2.5
239.17932	7.2
245.31186	1.6
247.20578	2.7
255.17422	2.0
257.18997	9.7
273.18567	21.0
275.20068	69.2
291.19553	71.1
293.21106	36.9
309.20642	8.2
417.62381	1.7
437.34457	2.5
445.44595	1.7
455.31277	2.1
496.54099	1.7
547.38025	2.1
565.38763	3.5
583.39691	6.4
601.41016	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	601.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01876	8.7
55.05274	1.5
55.05516	20.7
57.03419	4.2
57.07063	4.4
65.03941	2.1
67.05508	33.8
69.03432	3.3
69.07076	14.1
69.34371	9.9
71.05013	3.3
79.05495	43.3
81.03435	7.5
81.07058	100.0
83.04970	11.0
83.08622	11.4
85.02897	2.2
85.06548	2.2
87.04465	4.2
89.06007	5.3
91.05483	31.4
93.07057	28.0
95.04971	18.1
95.08068	1.9
95.08611	21.4
97.06573	7.4
97.10175	6.4
99.04447	2.0
99.08083	2.0
103.05438	2.2
105.04509	2.1
105.07030	32.1
107.04964	11.8
107.08596	24.8
109.06515	23.1
109.10146	13.4
111.04433	10.0
111.08096	6.4
117.07010	13.1
119.04984	2.2
119.08583	30.1
121.06490	9.8
121.10133	15.7
123.08064	17.9
123.11723	3.3
125.09605	5.9
128.06248	1.4
129.07004	6.0
131.08598	17.4
133.06490	2.2
133.08600	3.3
133.10143	15.6
135.08096	7.0
135.11674	10.8
137.09599	4.7
137.13274	1.8
142.07803	2.8
143.08560	9.1
145.06467	1.9
145.10136	19.9
147.04399	6.3
147.08034	10.5
147.11693	11.2
148.35959	1.4
149.09656	8.6
149.13293	2.8
151.11145	2.2
153.09097	2.5
153.12753	6.3
155.08507	2.7
157.10144	8.3
159.08018	3.6
159.11708	9.9
161.09608	6.9
161.13214	2.7
163.11179	17.3
163.14825	1.9
165.09105	3.3
165.12737	3.1
167.10680	3.1
169.10162	3.3
171.11734	4.0
173.09615	3.8
173.13272	5.1
175.11182	3.8
175.14803	2.7
177.12737	4.8
181.10120	1.6
181.12241	5.1
183.11635	3.2
185.09566	2.9
185.13254	3.8
187.11197	1.4
187.14752	2.5
189.09294	1.4
189.11235	4.3
191.10730	4.0
191.14307	1.9
193.12247	5.8
195.11717	1.4
197.13210	1.8
199.14923	2.0
201.12788	1.9
205.12296	2.1
207.13919	1.3
213.12810	1.4
221.15329	2.7
223.13257	8.5
227.12793	5.8
227.18019	1.7
229.19537	1.9
231.17485	2.0
237.16307	1.9
239.17915	2.1
245.19066	2.6
247.20573	3.2
255.17447	3.8
257.19022	4.2
271.16968	1.3
273.18512	30.3
275.16986	1.7
275.20074	44.9
291.19540	52.4
293.21112	11.6
309.20572	1.9
338.25586	1.6
416.25629	2.2
488.94644	1.7
547.37762	2.3
565.38538	3.5
583.40033	4.9
601.41577	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	601.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
53.77798	2.2
55.01871	9.7
55.05513	31.9
57.03440	5.4
57.07073	28.6
60.06915	2.4
65.03942	2.7
67.05504	37.2
69.03422	7.3
69.07076	18.1
71.05013	2.7
71.08300	2.6
71.08617	15.0
74.80556	2.5
79.05493	42.3
81.03422	72.7
81.07056	59.8
83.04994	15.9
83.08607	20.6
84.99364	2.4
85.06532	4.8
85.10170	6.0
87.04472	3.1
89.06035	6.5
91.05486	40.9
92.05785	3.2
93.07053	50.9
94.61707	2.3
95.04980	20.1
95.08610	33.5
97.06541	7.1
97.10177	14.0
100.32954	2.2
104.06245	3.4
105.07035	53.7
105.07701	4.9
106.07401	2.8
107.04961	16.0
107.08601	32.5
108.66706	2.5
109.06516	18.4
109.10165	19.0
111.04482	3.9
111.08074	5.2
115.05441	13.7
116.06209	3.6
117.07030	21.0
119.08578	40.6
120.08889	5.2
121.06521	12.9
121.10152	24.0
122.10448	3.8
123.08067	19.1
123.11676	9.0
125.06007	3.4
125.09607	12.8
128.06250	6.8
129.07008	15.6
131.04906	6.4
131.08582	24.9
132.05667	2.9
133.06502	12.9
133.08612	4.0
133.10123	27.1
135.08086	9.7
135.11693	13.0
137.05983	5.7
137.09624	10.7
141.06960	3.0
142.07802	6.4
143.08615	18.3
144.09293	3.1
145.06485	9.9
145.10132	36.0
146.10527	4.8
147.04440	7.6
147.08066	12.9
147.11722	16.6
149.09616	9.1
149.13213	3.5
151.07584	4.2
151.11179	3.0
153.09097	2.9
155.08528	8.7
156.09399	6.3
157.06522	3.6
157.10101	18.8
158.10699	5.4
159.04430	6.1
159.08009	6.3
159.11687	13.8
160.05156	14.0
161.05991	31.6
161.09651	17.5
161.13315	7.2
163.11177	13.1
163.87735	2.6
165.09137	9.0
167.10646	12.7
169.10159	8.0
170.10664	3.4
171.11685	14.1
173.05971	28.8
173.09618	6.1
173.13295	8.3
175.11223	9.2
175.14822	7.1
179.08521	5.0
181.10146	7.2
181.12231	3.9
183.11703	10.5
185.09712	5.7
185.13245	9.4
187.07574	10.5
187.11160	3.9
189.09161	3.4
189.11217	4.4
189.12811	4.2
191.10764	3.4
191.14427	3.3
195.11612	6.2
196.12146	3.7
197.13316	6.3
199.14790	3.7
203.10664	7.5
203.14383	3.2
207.11804	3.4
207.13815	3.7
209.13280	5.2
211.14845	6.3
215.18126	3.1
221.13472	5.2
221.15411	20.0
233.15404	4.7
237.16397	3.5
239.18083	2.6
243.13857	11.7
245.19193	4.3
255.17526	5.1
257.19034	5.7
265.19742	2.7
271.13324	41.1
273.18533	15.6
275.20032	27.0
275.86478	3.3
289.14337	15.2
291.19553	48.8
291.22546	4.4
293.21133	9.7
313.27420	22.8
345.16907	15.8
521.15552	3.1
583.40533	7.5
601.41058	100.0
602.40942	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	601.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01881	10.2
55.05513	24.4
57.03423	4.7
57.07071	7.5
59.05004	1.7
63.09797	1.5
65.03950	3.8
67.05507	36.0
69.03426	5.2
69.07069	17.7
71.04984	3.1
71.08623	3.2
79.05025	1.6
79.05494	49.2
81.03419	20.1
81.07058	100.0
83.04982	10.0
83.08614	16.4
85.02905	2.2
85.06535	2.2
85.10149	3.0
89.06031	3.6
91.05479	45.3
92.05785	2.3
93.07047	36.0
95.04969	25.0
95.08611	25.5
97.06538	8.3
97.10184	9.6
99.08073	3.1
103.05464	3.3
105.07037	38.4
106.07348	1.9
107.04953	14.0
107.08595	24.8
109.05828	2.0
109.06525	33.4
109.10143	14.3
111.04467	8.7
111.08083	4.9
113.05991	2.0
115.05436	5.0
117.07028	20.1
119.04951	3.4
119.08582	47.1
121.06519	14.9
121.10133	17.3
123.08103	11.6
123.11689	3.4
124.17718	1.5
125.09624	8.0
128.06252	3.5
129.07018	15.2
130.07721	1.9
131.08580	20.3
133.06448	6.6
133.10124	19.8
135.08063	10.4
135.11716	8.0
137.05969	2.5
137.09607	6.3
140.85451	1.5
141.06940	3.9
142.07744	3.8
143.08565	11.2
145.06522	3.0
145.10144	24.6
146.10439	2.4
147.08041	16.6
147.11684	13.5
149.09631	11.2
149.13272	5.8
151.07555	3.8
155.08566	3.5
156.09305	3.1
157.10130	14.9
158.10591	2.8
159.08028	6.7
159.11679	14.0
161.05965	5.2
161.09642	16.3
161.13324	2.9
163.11174	15.7
165.09096	4.9
165.12741	4.4
167.08601	2.4
167.10667	2.6
169.10147	5.1
171.10281	1.8
171.11685	6.4
173.05992	3.9
173.09642	4.0
173.13290	5.5
174.13660	1.9
175.11192	6.1
175.14888	3.1
177.12773	7.0
180.09320	2.4
181.10091	2.8
181.12227	4.4
182.11046	2.0
183.11716	5.7
185.13208	3.8
187.11209	3.6
187.14783	2.1
189.09293	1.6
189.11255	4.0
189.12743	3.8
191.10669	2.2
191.14299	2.9
193.10158	1.9
193.12187	3.8
195.11731	2.9
197.13208	4.6
199.11098	2.5
201.12643	2.9
203.14372	4.4
207.11581	1.6
207.13634	1.9
219.13673	2.2
221.15353	10.9
222.15718	1.8
223.13165	8.2
227.17987	3.1
234.15785	2.1
238.15237	2.2
239.17836	2.1
243.13814	1.8
245.18959	2.4
247.20587	2.9
249.14812	6.1
255.17433	4.7
257.19040	4.4
271.13257	5.5
271.16837	2.1
273.18506	51.5
275.20090	37.6
276.20218	1.7
277.21738	1.8
289.14471	1.9
289.17847	3.2
291.19540	79.6
293.21182	16.4
313.27341	4.6
352.23737	2.5
353.24319	2.6
521.35846	2.1
547.37872	2.6
565.39008	4.1
583.39972	7.5
601.41132	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.2
53.03938	6.8
55.01866	11.7
55.05271	3.1
55.05513	36.0
56.45792	2.3
57.03428	4.1
57.07077	13.8
58.54384	2.7
59.05013	2.6
65.03951	3.5
67.05512	51.5
69.03432	6.1
69.07069	28.8
69.29363	13.7
69.29791	9.4
71.04988	4.4
71.08624	6.0
74.32309	2.2
79.05495	51.4
81.03423	24.9
81.07059	61.1
82.07398	3.0
83.04975	9.3
83.08619	24.7
89.06048	6.9
91.05489	44.7
93.06482	5.3
93.07050	55.7
94.07378	3.0
95.04962	25.9
95.08609	41.0
96.92577	2.6
97.06526	10.6
97.10198	13.5
105.07031	55.6
106.07356	3.7
107.04961	17.9
107.08596	34.7
109.06542	12.7
109.10165	26.1
111.04442	4.7
111.08090	8.1
115.05473	5.8
117.07024	19.4
119.08582	44.1
120.08899	3.6
121.06496	8.4
121.10157	28.5
123.04438	2.6
123.08054	14.1
123.11734	6.9
125.09633	12.6
128.06219	5.2
129.06990	9.1
130.07782	4.4
131.04993	2.5
131.08572	25.1
132.08853	2.9
133.06509	7.8
133.10143	35.1
134.10500	3.2
135.08055	11.6
135.11673	12.6
137.09602	8.4
139.11142	2.8
141.07031	3.3
142.07809	5.7
143.08534	15.2
145.06479	8.5
145.10129	34.3
147.08092	15.1
147.11685	15.9
149.09628	17.9
149.13229	3.0
151.07481	3.3
151.11214	5.3
153.09106	2.9
155.08536	7.6
157.10156	18.5
159.07959	3.4
159.11671	19.6
160.12067	3.3
161.05986	4.5
161.09621	8.3
161.13277	7.4
163.11217	15.3
165.09106	11.0
167.08505	2.6
169.10129	9.1
171.11658	9.3
173.05971	5.1
173.09567	7.1
173.13260	8.4
175.11186	5.8
175.14912	5.0
177.12680	5.0
183.11725	5.9
185.13249	6.2
187.11203	5.2
189.11200	7.4
189.12746	6.2
193.12247	11.1
195.11798	3.4
197.13174	3.8
201.12787	5.0
203.14317	4.3
207.13806	4.0
211.14957	4.2
215.14650	2.7
221.15318	15.6
222.15656	3.3
223.13268	17.1
227.12689	3.1
229.19568	3.1
239.17981	4.8
247.20609	3.7
257.19110	12.3
271.13367	9.5
271.16870	8.2
273.18539	17.0
275.20090	68.0
277.21909	2.9
289.14627	4.5
289.17816	5.8
291.19577	100.0
293.21039	19.7
300.20761	5.2
313.27423	9.6
353.24191	4.1
488.59879	2.8
521.35773	5.2
583.40149	21.5
601.41302	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.2
53.03938	6.8
55.01866	11.7
55.05271	3.1
55.05513	36.0
56.45792	2.3
57.03428	4.1
57.07077	13.8
58.54384	2.7
59.05013	2.6
65.03951	3.5
67.05512	51.5
69.03432	6.1
69.07069	28.8
69.29363	13.7
69.29791	9.4
71.04988	4.4
71.08624	6.0
74.32309	2.2
79.05495	51.4
81.03423	24.9
81.07059	61.1
82.07398	3.0
83.04975	9.3
83.08619	24.7
89.06048	6.9
91.05489	44.7
93.06482	5.3
93.07050	55.7
94.07378	3.0
95.04962	25.9
95.08609	41.0
96.92577	2.6
97.06526	10.6
97.10198	13.5
105.07031	55.6
106.07356	3.7
107.04961	17.9
107.08596	34.7
109.06542	12.7
109.10165	26.1
111.04442	4.7
111.08090	8.1
115.05473	5.8
117.07024	19.4
119.08582	44.1
120.08899	3.6
121.06496	8.4
121.10157	28.5
123.04438	2.6
123.08054	14.1
123.11734	6.9
125.09633	12.6
128.06219	5.2
129.06990	9.1
130.07782	4.4
131.04993	2.5
131.08572	25.1
132.08853	2.9
133.06509	7.8
133.10143	35.1
134.10500	3.2
135.08055	11.6
135.11673	12.6
137.09602	8.4
139.11142	2.8
141.07031	3.3
142.07809	5.7
143.08534	15.2
145.06479	8.5
145.10129	34.3
147.08092	15.1
147.11685	15.9
149.09628	17.9
149.13229	3.0
151.07481	3.3
151.11214	5.3
153.09106	2.9
155.08536	7.6
157.10156	18.5
159.07959	3.4
159.11671	19.6
160.12067	3.3
161.05986	4.5
161.09621	8.3
161.13277	7.4
163.11217	15.3
165.09106	11.0
167.08505	2.6
169.10129	9.1
171.11658	9.3
173.05971	5.1
173.09567	7.1
173.13260	8.4
175.11186	5.8
175.14912	5.0
177.12680	5.0
183.11725	5.9
185.13249	6.2
187.11203	5.2
189.11200	7.4
189.12746	6.2
193.12247	11.1
195.11798	3.4
197.13174	3.8
201.12787	5.0
203.14317	4.3
207.13806	4.0
211.14957	4.2
215.14650	2.7
221.15318	15.6
222.15656	3.3
223.13268	17.1
227.12689	3.1
229.19568	3.1
239.17981	4.8
247.20609	3.7
257.19110	12.3
271.13367	9.5
271.16870	8.2
273.18539	17.0
275.20090	68.0
277.21909	2.9
289.14627	4.5
289.17816	5.8
291.19577	100.0
293.21039	19.7
300.20761	5.2
313.27423	9.6
353.24191	4.1
488.59879	2.8
521.35773	5.2
583.40149	21.5
601.41302	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01850	4.2
55.05516	28.6
57.07077	38.0
59.05001	4.7
61.10663	3.3
63.29182	3.9
65.03937	4.5
65.09724	3.7
67.05505	51.4
69.03432	16.8
69.07064	20.2
71.04998	7.9
71.08640	20.6
79.05496	44.7
81.07058	53.0
83.04980	14.1
83.08628	14.6
84.04527	4.1
85.06548	8.0
85.10196	11.4
87.04444	13.8
89.06030	80.8
91.05482	78.1
93.07048	79.7
95.04980	32.2
95.08613	49.8
97.06525	20.1
97.10175	6.0
103.05473	3.6
104.78178	3.5
105.07035	100.0
107.04917	6.2
107.08601	67.2
109.06511	20.8
109.10159	43.6
111.08057	7.9
113.09650	7.2
115.05474	10.8
117.07018	28.9
119.08585	92.8
121.06506	15.1
121.10152	61.7
123.08072	35.1
123.11697	11.8
125.09633	13.8
128.06238	22.0
129.06996	26.8
130.07797	13.7
131.08580	67.9
132.09157	3.6
133.06523	10.2
133.08630	44.8
133.10129	63.1
134.10469	4.2
135.08080	17.2
135.11687	16.4
137.09608	12.3
139.11145	5.9
141.07008	14.1
142.07790	36.2
143.08571	57.1
144.09285	17.0
145.06482	9.7
145.10133	76.7
146.10664	5.0
147.08080	16.8
147.11670	23.3
149.09628	22.5
151.07559	11.4
151.11160	4.7
153.07016	4.4
154.07759	5.3
155.08582	30.3
155.10681	10.0
156.09340	29.4
157.10139	75.6
158.10870	16.1
159.08070	20.6
159.11749	42.7
160.08830	4.6
161.09636	17.9
161.13243	12.2
163.07513	3.9
163.11232	17.4
165.06973	10.3
165.09117	13.5
166.07852	7.0
167.08569	17.9
167.10664	23.1
168.09357	9.6
169.10139	41.8
170.10889	12.5
171.11682	46.9
172.12399	4.7
173.09642	12.4
173.13274	21.7
174.10362	6.0
175.11200	16.3
175.14780	5.8
177.09227	3.9
177.11218	11.0
177.12718	6.8
178.07701	3.5
179.08563	20.3
180.09335	8.0
181.10156	25.7
181.11568	4.1
181.12321	5.7
182.11002	18.2
183.07994	4.6
183.11703	34.2
184.12442	6.6
184.78822	3.9
185.09598	8.8
185.13249	26.8
186.14061	4.3
187.11130	5.5
187.14854	11.3
189.12827	9.0
191.14337	8.5
192.09363	6.0
193.10153	21.1
193.12035	5.1
194.10910	13.0
195.11702	34.3
196.12476	11.7
197.09641	4.0
197.13255	33.0
199.11200	12.7
199.14825	16.5
201.12701	8.6
201.16367	5.4
203.14323	12.9
205.10133	8.3
206.10873	6.4
207.11673	21.9
207.13635	7.0
208.12460	9.8
208.14293	3.9
209.13275	31.4
211.11157	7.4
211.14856	23.3
213.12613	7.7
215.14360	11.6
217.10292	5.7
217.15858	7.4
218.10999	6.0
218.16583	4.0
219.11717	6.0
220.00757	4.0
221.13319	14.2
221.15404	27.6
223.11095	4.8
223.14847	22.1
225.12787	5.5
225.16443	9.1
227.14429	9.0
229.15823	6.8
231.11681	7.1
233.13210	13.0
233.15398	21.1
234.13985	8.1
234.16125	7.8
235.14804	16.2
236.15538	3.7
237.12718	7.0
237.16492	18.3
239.14394	5.9
239.17957	6.0
245.13284	6.8
246.13956	5.7
247.14742	7.5
248.27570	3.6
249.16438	8.3
251.17984	8.4
253.15994	6.0
253.19403	4.7
255.17497	38.3
255.19879	5.5
257.18936	4.6
257.24728	5.1
259.14786	7.0
261.16440	5.6
263.14441	5.6
263.17899	8.8
265.19562	7.9
266.16400	3.6
268.18060	5.1
269.19022	6.3
271.20325	4.5
273.18582	7.3
275.17697	5.1
275.20276	3.9
276.20490	4.9
281.19061	9.2
282.19586	4.3
285.18713	5.5
287.20493	3.8
295.20453	4.5
299.20056	6.3
301.19229	4.2
312.21088	4.5
317.18994	4.1
333.22058	4.3
339.29065	4.5
345.22113	5.1
347.23618	7.5
360.24609	4.1
365.24640	8.5
381.08240	3.8
383.26117	6.1
385.65271	3.7
415.25055	4.4
582.40619	5.1
583.43420	5.5
600.41583	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85904	2.7
53.03940	8.9
53.90129	2.8
55.01865	3.7
55.05511	24.2
57.07071	9.1
58.33287	2.7
59.05001	6.0
60.77636	3.2
65.03943	4.6
67.05508	31.2
67.88198	2.7
69.03429	15.9
69.07070	24.2
69.25507	15.0
69.25941	12.0
71.05001	8.2
74.98799	3.2
77.03934	4.2
79.05487	45.4
81.07063	46.1
83.04985	19.3
83.08621	13.6
85.06526	9.1
91.05486	63.5
93.07047	82.1
95.04989	29.9
95.08614	38.0
97.06541	17.3
97.41654	2.9
98.21465	5.9
103.05455	5.6
105.07037	100.0
107.04931	3.9
107.08591	73.3
109.06524	22.3
109.10157	36.5
111.08092	9.5
113.09639	4.5
115.05469	8.9
116.06242	4.6
117.07014	33.4
119.08580	96.8
120.09386	3.0
121.06516	12.0
121.10147	63.7
123.08067	38.1
123.11697	6.2
125.09630	15.5
128.06190	19.2
129.07011	34.8
130.07784	14.5
131.08574	49.6
132.09401	6.7
133.06493	7.6
133.10138	55.4
135.08061	22.6
135.11736	14.5
137.09625	14.2
139.11150	5.6
141.06976	15.7
142.07794	36.0
143.08565	65.8
144.09377	15.3
145.06435	4.2
145.10127	85.0
146.10916	4.4
147.08000	20.7
147.11691	27.0
149.09624	20.6
151.07523	11.1
151.11198	4.2
152.06279	4.1
153.06880	6.2
154.07841	3.8
155.08578	27.2
155.10666	14.4
156.09366	30.4
157.10130	82.1
158.10909	12.8
159.08075	27.0
159.11705	48.7
160.08833	9.5
161.09630	22.5
161.13287	12.1
163.11177	18.3
165.07001	13.9
165.09087	16.7
166.07826	3.4
167.08588	20.0
167.10683	18.9
168.09351	9.4
169.10155	40.9
170.10933	16.1
171.08072	3.3
171.11679	51.6
172.12495	7.2
173.09642	17.1
173.13275	32.5
175.11166	25.3
175.14888	4.5
177.12790	4.5
178.07851	3.2
179.08534	15.8
180.09372	6.2
181.10127	26.8
181.12262	9.0
182.10959	15.6
183.11685	37.0
184.12508	6.7
185.09705	3.9
185.13231	33.6
187.11194	10.5
187.14839	14.4
189.12805	14.6
190.13551	9.1
191.14325	9.9
192.09424	7.4
193.10136	19.7
193.12030	6.7
194.10933	12.0
195.11713	39.0
196.12477	13.7
197.13254	38.1
199.11198	11.6
199.14796	20.9
200.11929	4.1
201.12788	8.7
201.16391	7.5
203.14284	19.4
205.10092	6.2
206.10916	10.1
207.11720	26.1
207.13872	10.0
208.12480	11.4
208.14362	5.0
209.13351	30.9
210.13997	9.8
211.11185	7.4
211.14864	24.3
213.12769	13.0
213.16405	8.9
215.14340	12.2
217.10217	5.3
218.16748	7.2
219.11659	9.1
219.13771	6.9
220.12466	8.5
220.14540	3.9
221.13234	18.4
221.15414	38.8
222.13945	7.2
223.11165	3.9
223.14810	24.4
224.15515	3.0
225.12680	11.7
225.16371	13.6
227.14224	6.6
227.17918	4.0
229.15913	5.8
231.11699	5.4
233.13251	10.9
233.15421	32.8
234.14056	4.7
234.16133	9.7
235.14882	13.5
237.14531	4.4
237.16437	11.4
239.14316	3.5
239.18018	6.4
241.15930	6.0
245.13243	5.6
247.14830	10.9
247.17056	8.3
248.15773	4.2
249.12828	3.7
249.16362	10.6
251.18018	6.1
253.15860	9.1
255.17416	42.8
257.19009	6.6
259.14731	6.2
259.17184	3.5
261.16351	12.0
262.17114	4.4
263.17896	11.2
265.19385	4.0
267.17450	3.2
267.52676	3.6
268.18329	3.4
269.19037	12.4
270.19830	7.3
271.17035	5.8
273.18552	11.4
274.19357	5.3
275.17728	5.4
277.15732	3.3
279.17484	4.0
281.19028	6.0
283.20605	4.8
285.18671	7.2
286.19324	5.7
287.20258	7.5
289.19608	4.2
295.20383	7.7
299.20233	7.4
303.19617	10.2
305.22562	4.0
307.20633	4.2
312.20697	4.4
313.21765	5.3
325.21738	8.0
337.21466	3.4
345.22003	6.3
347.23724	6.8
352.24075	16.5
360.24597	4.2
365.24835	16.4
383.25745	10.8
441.70779	3.4
507.34570	5.2
520.35162	6.9
567.38037	3.9
600.41345	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.05519	18.1
56.29697	2.2
57.03430	2.5
57.07077	14.0
59.04986	5.1
66.45053	3.0
67.05505	30.6
69.03434	14.1
69.07066	11.9
69.18600	2.2
69.41245	9.9
69.41671	8.1
71.04997	2.8
77.03905	2.2
79.05499	38.8
81.03408	3.6
81.07054	40.1
83.04971	14.6
83.08614	9.1
85.06529	9.0
91.05485	61.8
92.06276	4.9
93.06484	4.5
93.07047	68.8
95.04957	21.9
95.08619	33.1
97.06529	9.0
103.05494	4.8
105.07034	100.0
106.07843	3.8
107.04942	4.7
107.08595	55.7
108.05719	2.4
109.06519	21.8
109.10162	18.0
111.08055	5.1
115.05462	6.1
117.07033	24.3
119.04971	4.4
119.08585	90.4
121.06499	15.1
121.10143	42.5
122.07307	4.1
123.08073	28.0
123.11701	5.0
124.08421	2.7
125.05979	4.4
125.09650	10.2
128.06207	16.1
129.07030	28.5
130.07779	9.9
131.08565	41.8
133.06512	12.5
133.10144	43.5
134.62717	2.5
135.08049	27.8
135.11668	17.7
137.06012	4.7
137.09618	14.4
138.30783	2.3
139.07520	5.7
141.07024	10.7
142.07788	31.5
143.07526	3.4
143.08578	61.1
144.09349	13.8
145.06473	9.7
145.10130	66.6
147.08052	40.9
147.11713	12.4
148.08781	4.2
149.09630	23.1
149.13275	3.3
151.07544	18.2
151.11229	4.3
153.06958	4.8
153.09055	3.4
154.07777	3.8
155.08566	24.0
156.09372	19.5
157.10138	78.3
158.10846	8.4
159.08078	14.9
159.11707	36.0
160.08827	4.3
161.09605	18.1
161.13271	12.4
163.11165	20.1
165.07005	8.9
165.09116	44.1
167.08563	9.2
167.10715	14.3
168.09354	6.3
169.10147	28.9
170.10887	12.3
171.08080	6.0
171.11691	33.1
172.08763	2.4
172.12421	6.4
173.09622	15.5
173.13286	15.8
174.10327	3.4
175.11194	26.2
175.14781	3.6
177.09120	4.7
177.12689	2.6
179.08575	11.0
179.10703	3.6
180.09331	8.4
181.08705	2.7
181.10173	15.2
181.12218	7.4
182.10919	10.7
183.08069	2.9
183.11684	28.2
184.12520	5.2
185.09598	3.9
185.13274	18.1
186.13914	3.1
187.11264	11.4
187.14851	7.9
188.11909	3.3
189.12766	16.5
190.13535	17.1
191.08569	4.9
191.14299	6.4
192.09294	4.6
193.10356	16.6
193.11993	16.0
194.10933	7.8
195.11719	23.6
196.12424	7.2
197.09512	3.5
197.11681	4.4
197.13287	22.8
198.10287	3.5
199.11197	10.6
199.14880	4.9
200.11798	2.7
201.12747	8.2
203.14323	28.2
205.10152	4.5
206.10924	6.7
207.11690	17.5
207.13832	11.3
208.12364	6.5
208.14371	4.6
209.13242	15.0
209.15215	5.1
210.10332	3.9
210.13982	6.0
211.11200	10.9
211.14827	13.8
213.12712	12.3
213.16399	4.1
215.14343	7.8
217.10127	3.4
217.15941	3.9
219.11702	7.4
219.13857	6.3
220.12418	5.9
221.13274	13.4
221.15341	87.7
222.13947	6.2
223.11226	6.7
223.14864	10.3
224.12022	2.8
225.12726	6.2
225.16400	8.1
227.14378	4.5
229.15865	4.4
231.11719	3.7
231.13802	3.5
232.12378	4.5
233.13217	9.8
233.15376	21.8
234.16104	10.1
235.14803	7.5
236.15500	3.6
237.12701	8.2
237.14679	29.7
239.14365	5.4
239.17902	4.1
245.13248	2.9
247.14871	4.0
247.17053	12.1
248.14070	9.4
249.12790	3.2
249.16307	5.1
251.14246	4.3
253.15884	5.3
255.17505	16.9
259.14612	3.7
261.16351	4.1
263.14124	2.7
263.18130	3.1
265.15875	3.5
269.19003	5.7
270.19772	5.5
271.16946	6.8
272.17877	2.8
273.18539	6.9
274.19485	11.3
275.20081	5.0
276.20688	2.9
279.17471	4.7
281.19049	4.7
285.18460	8.1
286.19397	12.9
287.20038	8.0
294.19748	5.7
295.20618	4.3
297.18677	4.6
299.20209	11.9
301.19315	2.6
303.19531	44.7
312.20856	4.6
313.21640	14.9
319.20547	4.9
322.22690	3.3
325.21744	13.6
337.21631	12.1
352.23969	80.8
353.24619	4.7
365.24692	15.3
377.24744	5.2
383.25836	2.8
420.30334	5.6
454.30545	3.0
502.34412	11.8
503.35178	7.3
505.32925	5.9
507.34485	10.2
508.34866	5.2
520.35480	39.3
582.40253	4.1
583.41681	2.9
585.39282	3.1
600.41370	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70705	3.8
55.05500	17.3
57.07071	11.6
59.05000	5.7
62.22924	3.9
65.03945	7.9
67.05515	27.1
69.03431	19.1
69.07052	13.2
69.27178	26.0
77.03926	4.6
79.05495	38.7
81.03403	4.9
81.07066	41.3
83.04975	17.3
83.08604	7.5
85.06548	6.7
85.29692	3.7
91.05492	58.1
91.56489	4.0
92.64873	4.2
93.07044	81.8
95.04955	24.7
95.08605	34.0
97.06522	9.1
98.21523	8.8
103.05527	4.2
105.07029	98.1
107.04967	5.2
107.08599	65.0
109.06493	20.6
109.10141	18.1
110.10498	4.5
111.08075	6.0
115.05437	8.8
116.06248	4.3
117.07031	26.0
119.07731	4.7
119.08585	88.7
120.09415	4.9
121.06508	16.8
121.10149	44.0
123.08071	31.4
123.11710	7.5
125.06003	6.2
125.09663	6.3
128.06203	16.2
129.06998	30.2
130.07779	9.4
131.08575	44.0
133.06464	12.7
133.10123	52.0
135.08058	25.3
135.11694	8.8
137.05946	4.1
137.09604	15.3
141.06993	14.6
142.07776	35.2
143.08559	56.1
144.09328	18.8
145.06447	5.0
145.10138	66.3
147.08049	41.1
147.11699	14.7
149.09659	22.6
151.07565	25.9
153.06973	7.0
154.07710	6.1
155.08554	23.0
156.09337	25.7
157.10127	75.4
158.10887	9.4
159.08061	21.6
159.11673	33.2
160.08849	6.6
161.09645	26.7
161.13272	7.1
161.49040	4.3
163.11179	14.8
165.07016	8.3
165.09128	50.4
166.07826	6.8
167.08533	9.2
167.10699	11.9
168.09413	9.6
169.10088	26.0
170.10843	12.5
171.08029	5.2
171.11699	41.2
172.12425	8.8
173.09653	14.6
173.13280	14.0
175.11191	32.0
175.14758	5.7
176.12024	4.5
177.12778	7.0
179.06679	3.7
179.08521	11.1
180.09258	6.5
181.08665	4.5
181.10143	15.3
181.12207	10.0
182.10986	9.1
183.11746	34.2
185.09558	10.2
185.13306	18.4
187.11104	10.6
189.12747	12.4
190.13516	15.6
191.10675	5.9
191.14333	6.3
193.10144	17.3
193.12186	10.6
194.10783	10.6
195.11682	26.7
196.12378	9.6
197.09496	5.7
197.11700	3.9
197.13211	22.0
198.10512	5.3
199.11098	8.2
199.14908	8.6
201.12733	4.2
203.14316	30.2
206.10941	7.8
207.11678	16.2
207.13800	19.8
208.12531	6.8
208.14516	8.1
209.13359	19.1
209.15166	3.6
210.10387	4.9
210.13884	5.4
211.11182	8.4
211.14790	10.6
213.12688	7.8
213.16457	5.3
215.10637	5.6
215.14207	7.7
217.10117	4.1
219.11755	9.8
219.13831	10.4
220.12349	6.3
221.13269	12.1
221.15334	93.4
223.11134	4.5
223.14828	12.7
225.12733	6.7
225.16248	5.0
227.14336	4.6
229.15862	5.6
231.11719	4.3
233.13361	8.7
233.15369	25.2
234.16037	17.7
235.14748	14.9
237.12663	9.8
237.14708	35.4
241.15860	5.7
245.13362	4.8
247.16936	15.7
248.14073	9.7
249.16379	8.0
250.15701	7.9
253.15747	8.4
255.17455	23.0
259.14786	4.4
261.16437	7.7
267.17523	5.8
269.18961	8.6
270.19775	7.4
271.17007	8.1
273.18631	5.3
274.19220	16.4
279.17419	8.9
281.19104	7.7
285.18488	5.2
286.19235	14.0
287.20074	10.9
294.19916	5.2
295.20511	6.3
297.18542	5.7
299.19916	7.6
303.19550	52.2
312.20834	8.1
313.21564	15.1
325.21640	23.6
337.21698	11.7
352.23935	100.0
365.24786	23.1
377.24487	5.4
487.32190	8.1
502.34158	9.6
503.34991	5.8
505.32813	10.2
507.34659	10.9
508.34869	13.0
520.35553	52.1
585.39832	6.2
600.41565	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.8
53.03940	9.9
53.13545	3.1
53.85109	2.9
55.05521	16.2
57.07065	11.7
59.04992	4.1
65.03950	6.5
67.05508	31.3
69.03430	19.4
69.07072	20.6
69.59530	16.8
71.05011	3.4
78.67598	2.9
79.05502	32.6
81.03439	3.5
81.07066	46.8
82.07356	4.5
83.04974	14.8
83.08625	9.4
85.06547	7.1
89.06035	5.0
91.05480	57.1
93.06487	5.1
93.07049	72.0
95.04978	26.2
95.08615	40.3
97.06547	14.0
103.05457	4.9
105.04502	4.7
105.07039	88.6
107.04971	4.6
107.08607	56.1
109.06544	24.0
109.10174	19.3
111.08099	9.9
113.42700	2.9
115.05446	7.4
117.07019	19.9
119.08592	84.3
120.08881	5.6
121.06500	15.6
121.10155	39.6
122.10457	3.7
123.04423	2.9
123.08087	36.3
123.11700	5.3
125.05978	5.8
125.09658	9.9
128.06216	12.6
129.07045	25.9
130.07764	10.2
131.08589	41.3
133.06509	11.3
133.10144	49.2
135.08041	30.8
135.11729	18.8
137.05995	4.4
137.09618	18.7
139.07524	4.9
139.11203	3.5
141.07022	9.7
142.07791	27.5
143.08578	52.0
144.09380	19.2
145.06500	4.6
145.10143	57.9
147.08080	29.0
147.11729	18.0
148.11996	3.2
149.09634	23.4
151.07568	16.7
151.11108	4.3
153.07004	5.1
153.09206	3.3
154.07692	2.7
155.08554	17.8
156.09375	13.1
157.10146	74.2
158.10962	14.9
159.08092	20.2
159.11713	37.1
160.08823	5.0
161.09619	19.4
161.13268	11.0
163.11174	16.5
163.14792	2.9
165.06987	9.1
165.09134	51.7
166.09425	3.3
167.08568	12.2
167.10681	12.8
168.09373	6.4
169.10159	25.0
170.10886	11.0
171.08116	5.3
171.11725	35.8
172.12354	10.9
173.09631	8.8
173.13242	17.0
174.10167	2.9
175.11205	31.4
175.14828	6.6
177.12790	5.4
179.08569	11.6
179.10632	6.3
180.09247	3.7
180.11444	3.8
181.10133	18.6
181.12216	12.6
181.90468	3.1
182.10893	9.7
183.08133	4.7
183.11687	27.4
184.12515	5.2
185.09723	4.0
185.13312	27.9
186.13916	3.9
187.11208	12.9
187.14838	6.1
189.12772	14.0
190.13513	12.5
191.10727	5.3
191.14375	8.4
192.09369	4.7
193.10210	14.9
193.12152	13.2
194.10893	8.6
195.11720	24.1
195.13356	3.7
196.12372	6.8
197.09682	6.8
197.11638	3.5
197.13260	23.7
199.11148	9.3
199.14758	8.3
200.11967	3.4
201.12766	8.5
203.14317	29.7
205.10104	5.2
205.12115	3.3
206.10953	5.6
207.11656	14.1
207.13809	18.4
208.12416	8.6
208.14546	10.4
209.13297	20.4
209.15233	5.2
210.13945	4.7
211.11192	7.5
211.14861	10.5
213.12761	9.5
215.10651	4.0
215.14255	5.5
218.10933	3.6
219.11798	6.7
219.13843	9.1
220.12512	5.2
221.13297	11.2
221.15373	96.1
222.15904	5.8
223.11203	3.9
223.14844	10.6
224.15485	3.6
225.12749	11.0
225.16405	9.4
227.14284	6.8
230.13072	3.5
232.12576	3.6
233.13289	6.8
233.15361	19.5
234.13950	3.9
234.16078	12.6
235.14777	10.8
235.16872	4.6
237.14709	33.6
239.14375	6.3
239.17961	4.5
241.15932	4.8
244.12239	4.1
245.13197	5.8
246.13986	4.9
247.14865	6.0
247.17035	6.7
248.14177	8.2
249.16197	6.1
251.18106	3.7
253.15846	4.5
255.17448	21.0
259.14505	3.1
259.17047	4.7
261.16394	7.3
263.18207	3.7
265.15967	5.2
268.03827	2.8
270.19614	6.3
271.16925	9.0
273.18649	4.4
274.19299	29.6
275.20135	4.7
276.20554	5.5
277.15775	4.1
279.17468	7.0
281.19080	7.1
282.19226	3.3
285.18512	8.4
286.19202	11.3
287.19995	11.5
294.19769	7.7
295.20547	4.8
299.20163	16.8
300.20789	3.7
303.19583	47.3
310.19321	3.1
312.20911	6.6
313.21921	22.6
319.20514	3.4
325.21521	13.7
337.21835	13.3
337.25296	3.1
349.21683	2.9
352.23987	100.0
365.24643	20.6
377.24640	8.0
383.25925	3.2
447.38745	3.2
487.31995	6.8
502.34421	12.4
503.34991	9.0
505.33014	7.2
507.34738	13.6
508.35123	10.4
520.35626	55.7
553.60938	3.2
567.38147	4.6
582.40454	7.9
585.39319	5.6
600.41559	44.0
615.99603	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03946	2.9
55.05508	5.9
57.07077	11.5
59.05001	3.7
65.03940	1.7
67.05508	12.4
69.03440	8.8
69.07065	6.1
70.00355	7.2
79.05493	15.3
81.07061	21.1
83.04977	5.9
85.06551	5.4
91.05483	25.8
92.06271	2.6
93.07057	29.5
95.04973	7.0
95.08614	18.5
97.06528	6.6
98.20872	2.0
103.05492	1.5
105.07037	42.1
106.07870	2.0
107.04962	1.6
107.08604	21.7
109.06552	12.4
109.10168	6.4
111.08074	1.9
115.05475	2.3
117.07040	9.4
119.05001	2.4
119.07700	2.6
119.08582	46.2
121.06538	5.2
121.10172	16.1
123.08057	16.3
125.06000	9.6
128.06239	5.3
129.07002	10.4
130.07828	3.1
131.08597	18.4
132.09320	2.8
133.06509	3.4
133.10141	17.3
135.08067	20.3
135.11673	8.3
137.06007	2.7
137.09622	10.7
139.07571	1.9
141.07037	4.6
142.07791	10.0
143.08572	21.1
144.09334	6.3
145.06480	2.5
145.10147	32.2
146.10521	1.6
147.08057	26.8
147.11693	7.0
148.08557	1.6
149.09615	11.1
151.07529	10.8
154.07852	1.5
155.08557	10.2
156.09386	11.2
157.10135	29.4
158.10786	4.5
159.08049	6.9
159.11702	21.3
160.08846	3.1
160.12370	1.7
161.09570	9.0
161.13283	5.6
163.11208	14.9
165.06992	2.9
165.09131	42.1
166.07884	1.9
166.09505	4.8
167.08609	3.1
168.09325	4.8
169.10118	14.7
170.10872	5.3
171.08017	2.1
171.11682	13.9
172.08893	1.4
172.12389	3.6
173.09631	6.2
173.13264	6.2
175.11183	17.4
175.14828	1.5
177.09058	2.8
177.12733	1.4
178.09869	3.0
179.08557	3.9
179.10661	1.9
180.09421	2.5
180.11456	2.6
181.10136	5.6
181.12239	13.8
182.10925	4.4
183.11708	12.3
184.08875	1.5
184.12445	2.9
185.09650	4.3
185.13235	8.5
187.11255	5.7
187.14873	1.7
189.12827	7.0
190.13553	8.2
191.10681	4.3
193.10416	3.5
193.12267	16.2
194.10883	3.6
195.11739	9.8
196.12329	3.1
197.09644	3.1
197.13330	10.8
199.11172	4.6
199.14961	2.2
201.12804	4.4
203.10716	1.5
203.14340	17.8
207.11693	5.5
207.13840	11.7
208.12558	3.1
208.14589	6.9
209.13344	9.2
210.10284	2.0
210.13908	2.8
211.11214	3.3
211.14812	7.1
212.11974	1.8
213.12746	4.0
216.15067	2.1
217.12302	1.6
219.11903	2.0
219.13872	7.0
220.12593	2.0
221.13382	4.9
221.15366	100.0
222.15790	11.4
223.11205	2.5
223.14819	2.8
225.12767	3.0
225.16386	3.3
226.13826	1.9
227.14389	2.0
231.13818	3.7
232.12137	1.9
233.13266	3.2
233.15410	3.4
234.16138	17.5
235.14757	4.4
237.12830	3.4
237.16359	1.8
239.14183	2.4
239.18045	1.9
240.18738	1.7
241.15865	3.4
247.14580	2.1
247.16963	22.6
248.17493	1.7
249.16388	3.3
253.15985	2.5
257.13120	1.8
259.17007	3.3
261.18622	1.8
265.15607	1.7
267.17349	1.9
269.15369	1.9
271.17017	2.2
274.19321	12.8
277.15729	2.3
279.17422	2.1
281.19016	3.5
285.18564	2.8
286.19223	3.3
287.20215	9.7
297.18655	2.1
298.19226	1.7
299.20108	13.1
300.20972	2.2
307.20633	1.8
311.20020	3.7
312.20889	7.8
313.21710	7.6
319.20590	2.2
325.21677	11.2
326.22318	2.1
327.23227	3.6
337.21710	4.5
339.23187	4.0
340.24094	10.6
352.23947	24.2
365.24713	5.1
366.25473	4.9
379.26208	4.0
387.25446	4.9
391.26529	4.1
392.26944	4.0
413.27039	3.5
419.29465	10.2
420.30359	2.8
425.27032	7.0
426.27689	2.8
427.28473	10.9
428.28738	1.9
440.29263	40.0
442.30978	2.6
494.33710	1.8
507.35330	1.5
508.35315	6.3
520.35504	25.1
521.36047	2.4
529.42999	1.4
585.39203	3.5
600.41486	39.5
601.42316	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.05507	10.2
57.07079	13.0
59.04986	7.8
62.56489	1.9
65.03930	2.6
67.05512	17.3
69.03416	9.7
69.07057	7.6
69.28338	16.0
76.69194	2.0
79.05502	18.1
80.47511	1.9
81.03410	2.6
81.07058	25.7
82.07405	2.3
83.04977	7.4
83.08606	7.0
85.06523	6.8
89.06026	7.9
91.05482	33.8
93.07043	37.0
95.04948	9.6
95.08605	24.1
97.06495	6.0
99.90662	1.9
105.07037	44.4
107.04929	2.5
107.08611	29.6
109.06516	13.5
109.10137	6.8
111.08077	4.5
117.07037	14.6
119.08586	60.0
121.06483	9.3
121.10155	25.5
123.08082	18.6
123.11666	3.9
125.05978	13.2
125.09582	2.5
128.06223	5.8
129.07014	8.8
130.07739	6.6
131.08577	26.9
132.09308	2.8
133.06508	4.4
133.08600	4.8
133.10141	27.9
135.08064	19.2
135.11713	6.6
136.08374	2.6
137.05928	3.2
137.09601	16.3
139.07529	4.2
141.06999	5.1
142.07770	10.5
143.08615	21.3
144.09329	6.1
145.10138	39.8
146.10555	2.9
147.08047	30.3
147.11676	9.5
149.09630	15.5
151.07547	11.1
151.11150	2.6
155.08565	9.6
156.09335	5.8
157.10150	37.1
158.10838	6.3
159.08058	10.6
159.11684	27.3
160.08797	4.4
161.09615	11.1
161.13251	8.1
163.11180	20.8
165.07080	3.2
165.09123	45.7
167.08534	4.9
169.10120	14.2
170.10793	5.2
171.11694	18.1
172.12422	6.1
173.09621	11.6
173.13271	9.4
175.11205	20.3
175.14767	3.7
177.09106	3.9
177.12766	5.7
178.09915	3.4
179.08586	3.4
179.10542	2.7
180.09409	3.3
180.11417	2.9
181.10150	7.6
181.12215	21.6
182.10884	4.9
183.11702	20.0
184.12364	3.9
185.09619	4.7
185.13216	12.9
187.11188	7.1
187.14876	3.4
189.12749	8.1
190.13580	8.2
191.10669	8.7
191.14374	2.7
193.10176	6.9
193.12231	15.9
194.10919	3.3
194.13025	2.6
195.11729	9.4
195.13661	2.5
196.12505	5.0
197.09549	4.3
197.13321	13.5
199.11218	7.7
199.14848	6.2
200.11909	2.6
201.12686	7.2
203.10568	2.4
203.14281	19.7
206.10869	2.8
207.11716	7.5
207.13809	14.0
208.12668	3.5
208.14537	12.0
209.13226	7.4
211.11217	4.2
211.14801	10.8
212.15555	2.7
213.12743	5.9
219.11797	2.8
219.13776	7.2
221.13283	6.4
221.15347	100.0
222.15662	8.1
223.14801	4.1
225.12770	3.8
225.16414	2.6
229.15848	3.9
231.13733	3.4
233.13167	4.1
233.15335	4.3
234.13997	3.0
234.16135	24.4
235.14812	4.7
237.12685	3.4
239.14305	4.1
239.17859	2.8
241.15877	3.6
247.14697	2.8
247.16957	30.1
248.17720	2.8
259.16916	5.1
261.18646	2.7
269.15286	2.5
271.17007	5.7
273.18573	3.6
274.19315	14.5
279.17355	5.9
281.18958	3.3
285.18823	2.7
287.20248	10.4
297.18307	2.6
299.20154	15.0
300.20676	3.6
311.20062	7.9
312.20831	8.3
313.21564	7.7
314.21869	2.2
325.21609	20.1
327.23193	3.0
337.21585	3.6
339.23187	5.5
340.23901	17.5
352.23965	27.9
365.24823	10.4
366.25296	8.2
379.26169	7.7
387.25317	5.8
391.26166	6.6
392.27002	4.8
413.26749	6.6
419.29547	12.1
420.29813	4.2
425.26688	7.9
426.27661	5.1
427.28638	10.7
440.23596	3.3
440.29254	44.5
442.30359	3.4
487.30597	2.6
505.32928	3.4
507.35028	2.7
508.35229	5.8
520.35474	21.4
585.38861	6.1
600.41528	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17644	1.8
50.40200	1.6
53.03952	3.5
55.01875	1.6
55.05503	10.1
57.07077	10.0
59.04995	3.1
65.03935	2.7
67.05219	1.5
67.05511	14.5
69.03427	9.7
69.07063	7.2
79.05499	16.3
81.03396	2.2
81.07063	20.1
83.04981	8.5
83.08598	4.5
85.06543	4.7
89.06021	4.8
91.05494	25.2
92.06253	2.6
93.07051	29.6
93.80386	1.6
95.04966	12.2
95.08613	15.9
97.06522	4.1
98.21569	2.4
105.07031	42.6
106.07324	2.4
107.04926	1.8
107.08599	24.9
109.06561	11.2
109.10149	10.1
115.05415	4.0
117.07032	12.5
119.08592	57.8
120.09402	3.5
121.06541	8.8
121.10146	23.2
122.07304	2.7
123.08065	17.7
125.05979	9.1
127.63964	1.7
128.06233	3.9
129.07013	8.7
130.07759	2.6
130.79698	1.8
131.08586	22.6
132.09372	2.3
133.06503	3.4
133.08650	2.0
133.10129	22.2
135.08076	18.5
135.11743	7.8
137.05971	2.7
137.09627	10.7
139.07579	2.4
141.06972	5.2
142.07784	9.6
143.08553	21.0
144.09325	6.8
145.06482	4.4
145.10129	32.8
147.08046	25.8
147.11696	7.8
149.09639	11.9
151.07564	13.8
154.07727	2.2
155.08553	10.5
156.09375	7.9
157.10138	27.2
158.10756	5.5
159.08041	5.9
159.11687	22.0
160.08804	5.7
161.09654	10.3
161.13234	7.2
162.10310	2.3
163.11188	15.9
165.06952	2.0
165.07800	3.0
165.09113	44.0
166.09464	4.1
167.08543	4.9
168.09331	3.9
169.10138	13.5
170.10895	5.5
171.11708	19.3
172.12370	4.4
173.09628	8.0
173.13226	6.8
175.11186	19.5
175.14832	3.0
177.09129	4.5
177.12682	4.0
178.09949	2.4
179.08604	2.7
180.09290	2.3
180.11394	3.8
181.10112	7.4
181.12247	17.7
182.10883	3.6
182.12500	2.5
183.11693	13.7
184.12480	3.2
185.09607	3.3
185.13298	10.6
186.13705	1.8
187.11156	5.5
187.14874	2.4
189.12805	8.1
190.13535	7.0
191.10617	4.8
193.10120	4.9
193.12224	12.7
194.10864	4.7
195.11688	9.4
195.13672	2.8
196.12463	4.2
197.13278	14.3
199.11252	5.5
199.14822	4.9
201.12759	8.5
203.14304	18.2
204.14737	2.1
206.10942	2.0
207.11685	5.1
207.13799	10.7
208.12601	3.7
208.14558	9.3
209.13219	7.0
209.15135	2.5
210.13896	1.8
211.14925	8.1
212.15463	3.9
213.12837	2.0
213.16319	2.3
215.14337	3.7
216.15106	2.3
219.11850	2.5
219.13817	7.2
221.13487	4.8
221.15366	100.0
222.15735	9.0
223.11185	1.8
223.14845	5.1
225.12735	3.3
225.16319	4.2
227.14314	5.4
227.17848	2.1
229.16020	1.9
233.13286	2.7
233.15378	3.3
234.14032	1.6
234.16174	20.8
235.14859	2.4
236.15637	2.2
237.12669	3.5
237.16447	4.7
241.15926	4.0
245.15434	2.2
247.14568	3.7
247.16942	33.6
248.17470	4.7
249.16409	2.1
253.15955	3.8
259.16968	3.9
261.18539	2.1
265.15820	2.5
267.17542	2.7
269.15329	4.5
271.17099	2.7
273.18637	4.0
274.19333	13.6
275.20193	3.8
276.20639	1.9
279.17316	2.8
281.18942	2.2
285.18463	3.9
286.19406	4.8
287.20081	11.5
297.18600	3.1
299.20105	19.3
300.20810	4.1
307.20557	2.6
311.19989	4.8
312.20786	8.1
313.21686	8.3
325.21692	11.9
327.23093	3.3
337.21582	3.5
339.23151	4.7
340.23956	13.6
352.24005	25.1
365.24713	4.8
366.25369	3.8
377.24756	4.8
379.26208	4.1
387.25406	3.8
391.26514	2.5
392.26901	3.4
400.26105	2.5
413.26822	4.2
419.29358	10.0
420.30234	3.3
425.26804	5.6
426.27811	3.1
427.28461	12.1
428.29205	2.2
440.29276	38.1
442.30704	4.5
454.30881	2.4
494.33984	2.5
505.33173	1.8
507.34448	3.2
508.35339	7.6
520.35541	26.2
582.40057	1.9
585.39679	4.8
600.41602	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89661	0.4
53.03947	1.1
55.01867	1.6
55.05513	4.9
56.05033	1.1
58.99593	1.4
65.03945	0.6
67.05180	0.7
67.05509	8.7
69.03442	0.7
69.07072	4.7
70.10384	2.1
71.04997	0.7
74.00687	2.7
76.02223	2.0
76.04010	0.9
79.05499	8.1
80.05037	2.2
81.03430	1.3
81.07059	23.7
82.06600	0.9
83.04969	1.1
83.06104	1.9
83.08619	2.4
84.04504	5.7
85.01134	0.8
86.00687	0.5
86.99042	0.5
88.02225	1.0
91.05482	7.7
93.07050	8.4
94.06544	1.5
95.04988	2.5
95.08614	10.2
97.01123	1.4
97.06526	1.3
97.10162	0.8
98.00649	0.6
98.21410	0.6
99.01427	4.0
99.02686	0.7
99.05583	1.0
100.02203	6.9
102.05523	0.7
105.07044	7.2
106.06558	0.8
107.04958	2.0
107.06055	0.5
107.08598	4.3
108.08130	1.1
109.06526	4.2
109.07658	0.5
109.10180	3.2
111.02680	0.9
111.08064	1.1
112.02193	8.0
113.00601	0.8
113.02968	1.3
114.03767	6.8
115.05795	0.7
116.01688	1.8
117.07055	2.4
117.07758	0.5
119.08582	4.6
120.08155	1.3
121.06518	1.8
121.10167	2.8
122.09702	0.6
123.08059	1.0
123.11729	1.3
124.02182	0.7
125.04212	0.8
125.09624	0.6
126.03750	3.0
129.06561	2.3
130.05040	1.9
131.08621	2.7
133.06526	0.6
133.10123	4.0
134.09702	0.9
135.02608	0.5
135.08067	1.7
135.11713	1.2
136.03975	0.5
137.04216	1.1
137.09612	0.6
138.03729	2.9
139.02231	0.6
139.03220	0.8
139.05708	0.5
140.01718	0.8
140.05315	8.4
143.08589	0.7
144.01048	0.6
145.06210	0.7
145.10135	2.8
147.11690	4.2
149.04291	0.8
149.09598	1.1
149.13278	1.7
152.05293	2.3
153.06526	0.7
154.06865	1.3
159.11713	1.8
161.13229	0.8
162.02229	1.4
163.11211	2.0
163.14848	1.0
165.12778	0.6
166.06891	1.4
168.08440	16.8
168.09882	0.9
171.11711	0.7
173.13300	2.1
175.11192	0.7
179.04903	1.8
181.06149	1.0
185.03780	2.4
187.05388	0.7
191.14345	1.2
193.06276	0.6
193.12254	0.7
199.07060	0.5
202.04091	1.1
207.13818	0.9
208.17023	0.7
209.15407	3.0
210.14922	0.7
215.04858	0.5
216.05649	2.4
218.15485	0.5
222.14932	1.0
229.06535	0.6
231.04341	3.6
233.06020	1.5
236.14624	1.4
236.16536	1.4
239.17810	0.6
241.06444	1.2
242.15851	0.5
247.20560	0.6
255.07990	3.6
256.08765	0.7
257.19171	0.7
264.14148	7.6
265.15021	0.8
265.27078	0.5
269.09619	2.0
270.10373	7.0
271.11154	1.7
275.20114	6.9
281.14459	2.3
282.15247	32.7
293.21106	1.5
307.17297	1.4
308.09091	1.9
323.16284	0.9
324.19864	0.8
333.18765	3.1
350.21518	10.5
351.19885	1.8
368.22577	11.5
378.21082	1.1
384.17172	16.4
385.17905	3.8
453.24222	100.0
454.24478	2.0
459.27469	0.6
479.26035	0.6
513.50751	0.5
525.26392	4.9
538.22455	0.6
569.53192	0.5
582.28705	1.3
600.29773	4.3
608.50720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23754	0.5
53.03937	0.9
55.01877	1.0
55.05511	4.9
56.05035	1.2
57.03442	0.6
57.98817	1.1
58.99294	1.0
58.99590	17.8
65.09637	0.5
66.41738	0.4
67.05508	6.6
69.03430	0.8
69.07072	5.5
69.34210	4.2
72.32114	0.5
76.02231	74.6
76.04006	2.4
77.11523	0.5
79.05497	5.9
80.05063	0.6
81.03421	0.8
81.07061	11.0
83.04966	2.5
83.06107	1.8
83.08627	1.9
83.64084	0.5
84.04510	13.1
84.04980	1.1
86.99065	3.3
88.02247	1.0
91.05488	6.9
93.07051	8.3
95.04970	3.3
95.08628	5.8
97.06542	1.3
97.10161	0.6
99.05602	0.6
102.05547	0.8
105.07044	8.8
107.04966	2.1
107.08596	6.4
109.06522	4.5
109.10152	2.8
114.03759	0.9
116.01686	21.2
117.07056	2.6
119.08575	5.0
121.06499	3.6
121.10162	2.9
123.08074	1.5
123.11716	1.0
125.09575	0.7
129.06651	1.7
130.04996	5.5
131.08575	5.9
133.06502	2.1
133.10132	5.8
135.08078	2.1
135.11694	1.9
137.09575	1.0
141.04787	0.8
142.03242	6.6
143.08540	1.5
144.01151	12.5
144.02225	1.1
145.06134	1.1
145.10144	5.4
147.08064	1.4
147.11703	4.8
149.09648	2.1
149.13286	1.1
151.11230	1.7
155.08545	0.7
157.10124	1.5
159.08072	1.1
159.11697	3.2
161.09622	1.5
161.13234	1.4
162.02213	42.2
163.11188	1.7
169.10095	0.8
170.02705	2.9
171.11705	0.9
173.09639	0.7
173.13263	2.2
175.11214	0.8
177.12721	1.3
179.04863	100.0
183.11783	1.1
183.37045	0.5
185.13210	0.8
187.05397	2.5
189.12741	0.6
191.14374	0.7
199.05312	0.6
201.12772	1.4
205.06253	0.5
207.13763	2.7
215.04892	1.3
215.14328	0.6
219.13791	1.1
233.05942	13.9
239.17854	0.9
245.05969	3.8
247.20540	1.1
257.19022	3.7
272.06558	0.5
272.96985	0.6
273.18481	3.6
275.20065	30.6
290.08286	1.1
291.06412	2.2
291.19568	3.9
293.21118	22.0
308.09119	27.3
333.18665	1.2
351.19846	1.1
368.22540	7.5
378.20654	0.7
453.24286	5.1
471.25021	1.3
525.26337	3.3
582.28375	1.0
600.29718	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	599.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
52.50747	0.9
53.03943	3.6
55.01870	3.3
55.05511	10.5
57.03437	1.4
57.07084	7.0
59.04995	2.9
63.54858	0.8
63.84688	0.9
63.92365	0.9
65.03954	2.1
67.05178	1.4
67.05507	16.1
68.35198	0.9
69.03436	9.2
69.07071	7.0
70.95174	0.8
71.04986	2.8
79.05493	19.1
81.03415	3.0
81.07058	25.9
83.04976	4.9
83.08616	5.7
83.94492	0.9
85.02919	1.0
85.06541	4.4
91.05482	24.2
93.06487	1.9
93.07050	28.8
95.04969	9.7
95.08605	18.6
97.06533	6.1
97.10170	3.4
98.20877	3.8
103.05499	2.4
105.04549	1.6
105.07034	32.2
106.07875	1.2
107.04947	4.9
107.08590	21.2
109.06516	7.9
109.10161	9.9
111.04489	1.0
111.08096	2.3
115.05463	1.4
117.07024	7.2
119.08584	35.4
121.06514	6.5
121.10142	18.3
123.08085	14.4
123.11703	3.6
125.05994	2.3
125.09631	3.3
127.12687	1.0
128.06247	4.6
129.07007	8.2
130.07796	2.8
131.08577	16.0
133.06522	3.1
133.10132	17.6
135.08054	13.8
135.11693	7.0
137.05995	1.4
137.09625	14.2
139.07599	2.2
139.11195	1.0
141.07027	3.0
142.07785	8.8
143.08572	12.9
144.09361	2.9
145.06442	1.3
145.10127	20.3
147.08052	27.5
147.11705	4.7
148.08772	0.9
149.09637	6.2
149.13231	1.2
151.07533	9.2
151.11237	1.6
153.06958	1.5
153.09029	1.4
155.08546	5.6
156.09355	5.5
157.10139	18.9
158.10861	1.9
159.08060	4.6
159.11687	10.0
161.09660	8.2
161.13254	7.1
163.11147	10.9
164.10716	1.6
165.07019	2.0
165.09111	47.2
166.07733	1.1
167.08614	2.1
167.10686	4.6
168.09372	3.0
169.10143	11.1
170.10881	2.2
171.11690	11.4
173.09630	5.7
173.13252	5.1
175.11208	3.9
175.14859	3.5
177.09178	1.5
177.12737	1.5
179.08585	2.1
180.09358	1.6
181.10136	4.4
181.12207	7.8
181.34712	1.1
182.10945	2.4
183.11710	14.1
185.09634	2.1
185.13275	9.8
187.11243	3.5
187.14848	4.1
189.09204	1.0
189.11200	1.8
189.12762	5.0
191.10710	4.0
191.14340	1.6
193.10132	4.1
193.12151	2.3
194.10941	2.5
195.11734	6.2
195.13614	1.6
196.12534	2.3
197.09497	1.2
197.13239	5.5
199.11229	2.9
199.14882	2.4
201.12775	3.0
203.14291	18.0
205.12289	1.4
206.10919	1.1
207.11737	3.2
207.13831	8.2
208.12381	1.4
209.09718	1.2
209.11528	1.3
209.13277	4.1
209.15257	1.5
210.14017	1.4
211.11351	2.6
211.14825	4.4
213.12761	3.5
215.14325	2.4
217.15959	1.1
219.11745	1.6
220.12341	1.0
221.13400	3.6
221.15366	100.0
223.11391	1.1
223.14868	3.2
225.12787	1.3
225.16431	2.6
227.14526	1.5
229.12440	1.1
229.16017	2.8
231.13870	2.3
233.13248	1.9
233.15421	5.0
235.14833	2.3
235.16971	1.1
236.15799	1.2
237.12758	1.2
237.16472	1.3
239.14543	1.6
239.17760	1.4
241.15773	1.3
247.14601	1.1
247.16968	16.4
249.16522	1.1
255.17650	1.5
257.18970	1.4
261.18604	1.2
262.08380	1.1
263.18057	2.0
269.19052	2.2
273.18558	9.7
275.20139	6.8
281.19186	1.6
286.19330	1.3
287.20154	9.8
289.18085	2.2
291.19659	8.0
295.20554	1.3
297.18515	1.3
299.20212	5.8
301.21808	2.0
309.18384	1.4
311.20157	1.6
312.21106	1.2
313.21704	3.2
325.21674	2.1
327.23270	1.3
345.22128	1.4
355.30853	0.8
363.23080	1.0
365.24661	4.5
373.25018	1.0
391.26382	8.0
419.29303	1.6
427.28751	4.9
443.29477	1.0
453.29941	1.2
455.32263	1.0
479.73233	1.0
507.34653	7.7
519.34875	2.8
581.39197	4.2
599.40881	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03931	0.7
53.61489	0.5
54.23639	0.4
55.01862	0.9
55.05507	3.6
57.03407	0.6
57.07079	5.9
58.52857	0.4
58.60712	0.4
59.04999	2.6
65.03913	1.2
67.05504	7.5
69.03092	0.5
69.03429	5.7
69.07068	3.0
69.34888	3.9
70.08157	0.5
77.03883	0.6
79.05065	0.6
79.05492	7.5
81.03378	1.3
81.06613	0.7
81.07056	12.1
83.04984	3.4
83.08587	1.2
85.06539	4.2
91.05484	15.0
93.07045	19.1
95.04973	4.8
95.08607	10.8
96.36754	0.5
97.06528	2.9
98.20908	1.4
103.05444	1.0
105.07031	24.5
106.07781	0.7
107.04929	1.1
107.08598	10.9
109.05923	0.5
109.06517	6.2
109.10142	4.2
111.08058	1.5
115.05450	1.7
116.06245	0.7
117.07021	4.6
119.04906	1.0
119.08582	24.5
121.06512	3.6
121.10147	13.4
122.07273	0.9
123.08064	10.5
123.11687	1.4
125.05971	2.7
125.09631	0.8
128.06201	2.2
129.06987	4.7
130.07750	1.9
131.08568	9.3
133.06458	2.6
133.10133	12.4
135.08060	10.8
135.11688	4.9
137.05966	1.3
137.09616	11.0
139.07549	1.1
141.06961	2.3
142.07785	5.2
143.07504	0.8
143.08563	8.7
144.09299	2.1
145.06499	0.8
145.10114	13.5
146.07228	0.6
147.08046	23.1
147.11684	3.2
148.08653	0.5
149.09628	4.4
150.10413	0.5
151.07544	9.4
153.06956	1.2
153.09114	0.8
154.07745	0.7
155.08575	6.0
156.09344	4.5
157.10133	16.9
158.10889	1.2
159.08104	3.9
159.10489	0.8
159.11703	10.9
161.09627	5.3
161.13274	4.6
163.11191	7.3
165.09119	48.0
166.07834	0.6
166.09375	0.5
167.08551	1.8
167.10712	1.2
168.09320	2.3
169.10127	7.7
170.10884	3.0
171.11703	10.1
173.09621	4.2
173.13287	3.3
174.10338	0.7
175.11156	2.4
175.14839	2.3
177.09187	2.6
177.12717	2.0
179.08549	1.7
179.10672	0.8
179.14267	0.6
180.09360	1.3
181.10309	2.9
181.12216	6.8
182.10924	2.1
183.11708	10.8
185.09689	1.3
185.13261	7.0
187.11180	1.9
187.14758	1.3
189.12737	3.8
191.10712	3.1
191.14276	1.3
193.10130	1.5
193.12111	1.0
194.10909	1.8
195.11707	4.3
195.13780	1.5
196.12462	1.8
197.09630	1.2
197.13246	5.9
198.10417	0.6
199.11134	2.5
199.14877	0.6
201.12750	1.5
201.16322	0.9
203.14313	16.1
205.10152	0.5
206.10876	0.7
207.11691	3.1
207.13794	5.7
208.12410	0.8
209.09747	0.8
209.13249	4.1
209.15140	1.0
210.13910	0.7
211.11203	1.8
211.14812	5.6
213.12720	3.0
215.14323	1.0
217.12146	0.6
218.10991	0.9
219.11754	0.9
219.13850	0.9
220.12366	0.7
221.15363	100.0
222.15773	0.7
223.11186	1.3
223.14792	1.7
225.12718	1.3
225.16455	0.9
227.14403	1.1
229.12242	1.3
229.15912	2.2
231.13840	1.2
233.13275	1.2
233.15424	1.6
235.14764	1.4
236.15648	0.7
237.12743	1.2
237.16411	1.5
239.14392	1.0
239.17912	1.4
245.13316	0.7
245.27356	0.6
247.14848	0.7
247.16953	15.1
249.12738	0.6
249.16292	0.7
251.14279	1.4
253.15897	0.5
253.38834	0.5
255.17479	0.7
255.86006	0.5
257.15363	0.9
259.14700	0.6
261.18671	0.9
263.17856	1.0
265.15836	1.0
267.17480	0.7
269.15210	0.6
269.19095	0.6
271.17072	0.9
275.14450	0.7
275.17621	0.5
277.15988	0.6
277.27765	0.6
281.19009	1.4
282.82654	0.5
283.17053	0.7
285.18576	1.0
286.19357	1.3
287.20114	7.7
299.20148	4.9
301.21661	2.2
307.20709	0.8
309.18622	1.3
309.22260	0.6
311.20023	2.0
313.21558	2.1
321.08395	0.6
325.21780	2.0
327.23129	2.4
365.24902	3.6
373.25317	1.4
391.26303	8.9
413.26852	1.8
419.29541	3.7
427.28500	5.8
438.62573	0.6
453.30072	1.5
507.34644	5.7
519.34680	4.0
525.33813	0.6
543.34662	0.7
581.39807	2.7
599.40942	55.4
600.41327	1.1
628.10944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.7
55.01879	12.7
55.05511	46.2
57.03436	7.7
57.07061	6.0
64.48299	2.6
65.03940	5.7
67.05508	64.1
69.03441	8.6
69.06783	2.6
69.07073	25.1
71.04990	8.1
71.49609	4.5
79.05499	60.0
81.03424	16.6
81.07058	87.3
81.07533	5.6
83.04987	26.4
83.08619	41.2
85.06549	6.8
91.05489	59.4
93.07050	60.3
95.04972	74.8
95.08618	37.0
97.06541	20.7
97.08347	2.5
97.10163	12.0
99.08074	4.0
100.66203	2.5
105.07044	67.4
107.04964	43.0
107.08601	42.3
109.02888	5.8
109.06510	28.8
109.10153	21.5
111.04436	7.5
111.08089	14.7
113.09694	4.7
115.05451	4.6
117.07016	31.6
119.08594	60.7
121.06536	14.8
121.10156	40.3
123.04429	4.3
123.08041	15.8
123.11684	5.6
125.06055	3.7
125.09624	13.8
128.06221	6.8
129.07018	17.1
130.07797	5.1
131.04922	3.3
131.08586	39.7
133.06528	6.0
133.10138	39.1
135.08052	23.3
135.11707	14.8
136.08888	3.0
137.09598	11.9
139.11143	6.7
141.06999	7.4
142.07802	7.5
143.08591	18.3
144.09319	3.9
145.06450	5.9
145.10117	48.5
147.08055	20.5
147.11693	16.0
149.09616	30.4
149.13356	3.7
151.07555	8.6
151.11208	4.4
153.09148	3.0
154.07813	3.8
155.08556	14.2
155.10617	3.2
156.09367	3.2
157.10123	18.8
159.08041	12.1
159.11684	23.6
161.09608	17.3
161.13240	6.5
163.07542	8.0
163.11211	48.3
165.09090	14.5
165.12704	7.6
167.10687	5.5
169.10165	16.6
171.10251	2.5
171.11699	9.3
173.09633	12.6
173.13278	12.1
175.11186	5.5
175.14861	4.3
177.12724	12.4
179.10738	6.9
179.14359	4.4
181.10146	5.4
181.12244	8.0
183.11653	8.0
185.09650	3.1
185.13263	5.3
187.11153	8.8
187.14906	3.2
189.11238	10.5
189.12650	4.9
191.10756	3.2
193.10164	4.2
195.11687	7.1
197.13277	10.5
199.11145	2.8
199.14932	4.7
201.12794	4.5
203.14351	3.6
207.13913	4.5
209.13271	7.3
211.11264	3.1
211.14917	5.2
215.14355	6.9
219.17534	3.3
221.13353	6.3
221.15326	26.3
223.13232	30.8
223.14798	2.8
225.16435	5.3
229.19563	4.1
233.15392	11.6
239.17952	10.0
243.17546	12.0
247.20917	3.3
253.15891	4.0
257.19067	17.4
261.18512	14.5
271.16904	11.3
273.18607	6.1
275.20081	100.0
287.20111	4.1
289.17984	71.7
293.21155	60.3
299.20038	2.8
307.18878	3.2
325.27661	3.3
343.57275	2.7
356.37769	2.9
507.34879	5.8
555.76660	3.4
581.38837	5.8
599.40558	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	599.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.7
55.01879	12.7
55.05511	46.2
57.03436	7.7
57.07061	6.0
64.48299	2.6
65.03940	5.7
67.05508	64.1
69.03441	8.6
69.06783	2.6
69.07073	25.1
71.04990	8.1
71.49609	4.5
79.05499	60.0
81.03424	16.6
81.07058	87.3
81.07533	5.6
83.04987	26.4
83.08619	41.2
85.06549	6.8
91.05489	59.4
93.07050	60.3
95.04972	74.8
95.08618	37.0
97.06541	20.7
97.08347	2.5
97.10163	12.0
99.08074	4.0
100.66203	2.5
105.07044	67.4
107.04964	43.0
107.08601	42.3
109.02888	5.8
109.06510	28.8
109.10153	21.5
111.04436	7.5
111.08089	14.7
113.09694	4.7
115.05451	4.6
117.07016	31.6
119.08594	60.7
121.06536	14.8
121.10156	40.3
123.04429	4.3
123.08041	15.8
123.11684	5.6
125.06055	3.7
125.09624	13.8
128.06221	6.8
129.07018	17.1
130.07797	5.1
131.04922	3.3
131.08586	39.7
133.06528	6.0
133.10138	39.1
135.08052	23.3
135.11707	14.8
136.08888	3.0
137.09598	11.9
139.11143	6.7
141.06999	7.4
142.07802	7.5
143.08591	18.3
144.09319	3.9
145.06450	5.9
145.10117	48.5
147.08055	20.5
147.11693	16.0
149.09616	30.4
149.13356	3.7
151.07555	8.6
151.11208	4.4
153.09148	3.0
154.07813	3.8
155.08556	14.2
155.10617	3.2
156.09367	3.2
157.10123	18.8
159.08041	12.1
159.11684	23.6
161.09608	17.3
161.13240	6.5
163.07542	8.0
163.11211	48.3
165.09090	14.5
165.12704	7.6
167.10687	5.5
169.10165	16.6
171.10251	2.5
171.11699	9.3
173.09633	12.6
173.13278	12.1
175.11186	5.5
175.14861	4.3
177.12724	12.4
179.10738	6.9
179.14359	4.4
181.10146	5.4
181.12244	8.0
183.11653	8.0
185.09650	3.1
185.13263	5.3
187.11153	8.8
187.14906	3.2
189.11238	10.5
189.12650	4.9
191.10756	3.2
193.10164	4.2
195.11687	7.1
197.13277	10.5
199.11145	2.8
199.14932	4.7
201.12794	4.5
203.14351	3.6
207.13913	4.5
209.13271	7.3
211.11264	3.1
211.14917	5.2
215.14355	6.9
219.17534	3.3
221.13353	6.3
221.15326	26.3
223.13232	30.8
223.14798	2.8
225.16435	5.3
229.19563	4.1
233.15392	11.6
239.17952	10.0
243.17546	12.0
247.20917	3.3
253.15891	4.0
257.19067	17.4
261.18512	14.5
271.16904	11.3
273.18607	6.1
275.20081	100.0
287.20111	4.1
289.17984	71.7
293.21155	60.3
299.20038	2.8
307.18878	3.2
325.27661	3.3
343.57275	2.7
356.37769	2.9
507.34879	5.8
555.76660	3.4
581.38837	5.8
599.40558	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	599.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.1
55.01879	15.9
55.05516	23.4
57.03436	12.4
57.07080	12.0
59.04987	2.8
61.38238	2.4
61.82383	1.9
65.03935	4.6
65.20396	1.7
67.05507	100.0
68.72282	1.9
69.03431	30.2
69.07067	16.1
70.44704	6.3
71.01336	3.0
71.04977	6.3
73.02886	3.0
79.05500	33.7
81.03423	73.0
81.07053	35.3
82.14152	2.4
83.04980	16.6
83.08632	18.9
85.02911	11.7
85.06537	4.2
85.43901	1.9
91.04982	3.6
91.05489	39.0
93.06496	2.2
93.07045	27.9
94.09663	1.8
95.04973	19.5
95.08623	18.5
97.02904	26.8
97.06516	6.7
97.10174	16.3
98.07318	2.8
99.04434	7.2
99.08120	2.9
101.02361	4.0
105.07047	20.3
107.04954	10.4
107.08591	19.3
109.02893	10.9
109.06495	6.4
109.10159	68.8
111.04483	11.6
111.08067	7.1
115.05444	3.4
117.07010	9.7
119.08589	24.7
121.06519	4.7
121.10137	9.0
123.04413	2.9
123.08046	7.0
123.11665	2.8
125.06033	2.4
125.09636	18.6
127.03929	9.7
127.11204	4.2
128.06258	2.7
129.05533	4.4
129.07050	9.9
131.08603	10.2
133.08667	2.2
133.10114	7.7
135.08028	4.1
135.11674	7.2
137.09596	6.9
139.11195	2.9
141.07030	3.1
143.03436	2.6
143.08572	4.5
145.04877	2.2
145.06439	3.3
145.10144	10.6
147.04323	2.4
147.08043	5.7
147.11679	8.2
149.09633	5.5
151.07506	2.9
151.11186	2.0
153.09116	2.9
155.08542	2.5
155.10660	6.9
157.10129	6.5
159.11662	5.6
163.11174	6.5
165.09082	3.1
165.12711	2.7
167.10661	4.0
169.10092	3.0
171.06459	3.8
171.11673	3.5
173.11716	17.0
173.13197	4.0
175.11168	5.7
179.03392	6.8
181.12241	5.1
183.06540	2.7
189.11150	4.6
189.12749	2.5
191.10713	3.5
193.12257	6.6
197.13336	2.8
209.11728	5.2
211.13345	6.3
221.15344	7.6
227.12784	7.7
229.14391	9.8
233.15332	3.6
243.13721	2.3
255.15793	4.3
269.13867	2.9
283.15329	3.0
299.14819	5.8
355.17368	5.6
355.25000	2.9
427.19769	3.7
441.21555	2.1
543.09845	2.0
581.38110	3.1
599.30334	29.1
599.40143	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	598.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64665	1.4
58.26454	1.0
59.04979	1.6
61.02924	1.3
67.05511	3.1
69.03418	2.3
69.07079	2.9
79.05502	4.3
81.03426	3.8
81.07085	1.7
85.02897	4.7
87.54975	1.3
88.92641	1.3
91.05486	3.2
95.04977	8.0
95.54981	1.3
97.02943	1.9
105.07034	3.7
107.04953	12.3
117.07043	2.1
121.06521	2.3
123.04415	10.2
128.06277	1.4
130.07813	3.9
131.08595	1.5
135.08080	1.7
136.05251	2.3
137.05942	5.3
138.06781	4.7
139.07509	2.0
140.04677	2.1
143.08575	5.3
145.10133	14.6
148.05209	1.8
154.06294	7.7
155.07056	3.8
155.08557	4.0
158.07292	15.1
159.08054	2.5
162.07558	2.3
163.03844	1.7
163.07581	2.5
165.05586	1.8
166.06230	6.9
167.07050	38.1
169.08636	16.2
169.09973	2.2
173.09642	35.6
175.07617	2.4
180.07773	2.7
181.05096	6.4
181.08597	46.8
183.06531	7.0
183.09123	2.1
185.05931	1.6
186.06796	3.4
189.09152	4.0
190.09836	1.4
191.10751	1.6
192.07845	3.5
193.08667	3.1
194.09349	3.2
195.06599	3.0
195.10193	16.4
197.08067	6.3
201.09119	62.5
202.09692	1.8
203.07011	1.5
206.09451	2.3
207.10255	2.8
209.11745	3.8
216.11473	62.4
217.08713	8.3
217.12022	3.0
219.10133	6.5
221.11691	2.4
232.10968	16.5
233.11719	41.1
237.14857	3.1
247.13301	100.0
251.12808	29.7
265.11676	2.6
265.14365	35.2
332.80789	1.6
358.13367	1.3
401.19592	6.6
419.20740	3.6
509.83075	1.6
548.97955	1.3
598.31317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
53.97935	1.7
59.55516	2.0
60.04533	3.9
64.13332	2.1
69.03445	3.2
70.98827	3.3
79.05516	3.7
81.03432	12.7
82.44299	2.0
85.02911	9.4
97.02903	4.1
101.02396	1.9
103.05493	2.9
105.07062	2.3
107.04967	7.1
108.10439	2.2
115.05457	4.9
117.07008	13.3
123.04415	4.3
124.05233	1.9
127.04008	2.6
131.08606	3.8
144.05717	4.2
145.04883	3.0
145.05341	3.1
145.06500	32.2
155.06018	6.2
156.05656	5.1
157.06479	2.1
158.18593	2.1
158.33337	2.1
159.08055	5.0
162.07649	2.4
167.07060	46.7
173.06009	58.2
175.07610	3.9
180.08760	2.8
187.07596	4.8
190.06262	35.9
191.07063	2.6
193.08524	2.5
202.06184	2.5
203.07054	4.8
205.08624	100.0
206.08983	3.0
217.08615	36.3
219.08147	3.7
219.10289	5.1
223.09656	4.5
235.09641	29.0
247.09712	4.9
265.10773	28.9
315.08466	2.7
325.46161	2.3
325.50073	2.0
330.10950	5.4
331.11719	4.1
343.12009	2.1
350.29007	2.6
351.12390	2.6
371.14963	5.4
383.15085	12.2
401.16006	11.6
598.22693	2.5
598.34259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59921	2.6
55.01862	2.8
55.05524	2.5
65.03928	5.5
67.05502	4.2
69.07048	2.9
71.49804	3.7
78.04718	3.7
79.05486	13.3
79.63448	2.3
85.02855	3.7
87.34338	2.3
91.05477	13.2
93.03398	3.5
95.04961	6.6
97.06536	14.6
103.05468	6.6
105.07022	9.9
107.04975	18.6
110.03676	3.1
111.04446	3.9
115.05431	4.4
118.04205	3.0
119.04926	3.1
121.06485	6.0
123.04423	5.9
124.05234	2.8
125.05984	7.1
125.52255	2.4
128.06232	4.3
129.06999	9.1
131.04922	7.6
131.08604	2.8
133.06491	7.4
135.04434	2.9
137.05959	11.1
143.04837	3.6
144.05782	3.3
145.02895	2.5
145.06497	3.8
146.03691	2.8
147.04407	4.1
147.08026	3.7
149.05977	8.2
151.03946	5.9
151.07556	3.8
153.05458	23.1
159.08035	9.2
161.05954	10.8
163.03885	10.3
163.07588	4.3
164.04300	2.8
165.07007	3.1
167.07047	75.9
169.07695	3.0
173.05937	3.5
175.07521	15.1
177.05501	10.4
177.06898	2.9
178.07918	2.5
179.07069	3.5
181.04991	16.2
187.07530	22.3
189.05460	5.9
189.07022	4.9
189.09047	3.0
190.07823	4.6
191.07069	11.4
191.08580	4.7
193.08646	2.8
195.08064	2.7
202.07838	5.4
203.08617	5.6
205.06587	4.5
206.07307	3.2
207.08109	3.5
209.08064	5.1
215.08626	3.3
218.07306	5.6
219.08098	8.8
223.07588	2.9
233.05984	6.0
233.09760	2.7
234.06807	3.2
235.07538	8.5
236.08395	3.4
237.09129	3.7
239.07034	2.8
246.06862	3.7
247.07547	6.3
248.08344	4.3
249.05498	3.4
249.09097	11.6
250.06334	9.0
250.09744	3.3
251.06970	4.0
251.10652	5.5
253.08461	2.9
260.08469	2.8
261.05347	2.4
261.09222	4.5
263.07034	10.5
264.07968	6.3
265.08618	11.1
275.07101	5.7
276.07861	5.8
277.08633	5.7
278.09396	3.7
279.06677	3.1
279.10025	7.7
281.11880	5.3
289.08572	6.8
290.09296	2.9
291.10291	3.8
292.07312	4.3
293.08551	2.5
303.04935	17.1
306.08978	4.7
307.09595	11.6
308.10284	4.0
309.07590	9.1
309.11206	9.6
319.09625	3.5
321.11313	6.6
323.12717	4.3
325.10620	2.2
339.12286	100.0
339.16431	4.8
340.12433	3.2
341.13809	20.5
351.12375	23.1
353.13721	4.5
369.13562	4.6
371.14865	6.5
405.13492	16.2
506.55988	2.9
597.20612	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	595.1656
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
54.87520	2.2
57.03434	10.3
57.26454	2.2
69.03445	12.9
70.06589	2.4
71.04995	68.7
71.29012	2.0
73.02922	12.3
75.04490	2.7
83.04965	9.3
85.02906	85.3
87.04472	2.3
95.04977	3.0
99.04453	4.2
111.04421	5.4
117.05492	5.1
127.03934	2.2
129.05479	22.1
137.02354	15.9
144.25203	2.1
147.06471	3.0
153.01897	3.3
163.03906	3.4
163.06068	5.5
165.01828	3.4
181.05005	2.5
229.04868	3.7
282.92853	2.6
287.05496	4.7
299.05392	5.1
302.04181	4.2
303.04990	100.0
314.43674	2.1
315.05014	29.4
316.05811	3.3
327.05005	8.0
341.06427	7.1
345.06039	42.9
367.07925	4.4
369.06100	14.1
395.07535	13.1
403.97714	2.4
413.08667	29.7
431.09842	17.9
431.14804	3.8
449.10748	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1453
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
50.14775	0.4
52.34004	0.4
53.03936	0.4
53.88322	0.3
60.69276	0.3
65.03928	2.1
67.05495	0.6
69.03433	1.6
70.11023	0.4
70.60115	0.8
70.60526	0.4
71.45134	0.4
79.05487	1.1
80.57954	0.3
81.03436	2.3
85.02922	0.7
89.03928	0.5
91.05486	16.4
91.31561	0.4
95.04973	0.5
96.68206	0.4
97.02883	0.7
97.06534	0.7
103.05455	0.5
105.07044	0.8
107.04976	1.9
109.02909	0.7
111.00811	0.5
115.05419	0.7
117.03384	0.4
117.07007	0.5
119.04951	28.9
119.08557	0.4
121.02872	1.3
121.06516	0.5
123.04410	0.4
127.03889	0.6
129.07034	0.6
131.04945	1.0
133.06502	0.6
135.04420	0.5
137.05981	0.8
145.03038	0.4
145.06512	0.6
147.04419	100.0
148.04808	0.8
151.03915	0.4
151.07567	0.6
153.01837	2.7
155.06056	0.4
157.06517	0.6
159.07964	0.5
161.06003	0.9
163.03940	3.0
165.01843	1.0
165.05479	1.5
167.07043	5.0
173.06003	0.8
175.07520	0.5
180.78647	0.4
181.04980	5.1
183.02975	0.4
185.05995	0.7
187.07553	0.6
195.10150	0.5
197.06039	0.5
201.05537	0.5
205.08650	0.6
207.06540	0.5
213.05461	0.7
217.04930	1.0
220.07338	0.4
239.82077	0.4
257.26669	0.4
258.05411	0.8
259.09677	1.1
287.05518	49.4
288.05826	0.5
291.08679	1.4
316.21390	0.4
329.06543	0.9
337.10922	0.5
339.12167	0.5
385.12589	0.8
397.12653	0.4
398.13748	0.4
416.14825	3.5
530.14990	0.5
553.59595	0.5
565.20276	0.5
595.21210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59640	0.5
51.60395	0.5
55.05511	1.4
55.62085	0.5
67.05499	2.0
67.56591	0.5
69.07066	1.1
71.08644	0.7
79.05502	1.3
81.07051	2.2
91.05499	1.2
92.59247	0.5
93.07054	2.1
95.08614	1.6
97.10165	0.6
105.07014	1.3
107.08653	0.7
109.10187	0.9
119.08607	1.3
121.10105	0.7
123.08074	0.8
131.08553	0.6
133.10188	0.7
145.10130	0.8
187.46451	0.6
210.29483	0.6
230.01149	0.6
310.31033	1.0
315.19449	6.6
469.54425	0.7
533.25751	0.9
593.26746	3.3
593.41803	100.0
594.41998	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	593.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05302	0.6
51.45617	0.7
60.19273	0.7
67.05494	2.6
69.07068	1.9
69.18503	0.6
71.24352	1.6
75.04924	0.6
79.05486	2.0
81.07049	2.6
89.06018	1.6
91.05485	1.9
91.14377	0.6
93.06997	1.5
95.08604	2.2
105.07029	0.9
119.08617	1.0
130.63161	0.7
133.08612	1.1
147.15407	0.8
184.24471	0.6
195.34233	0.7
301.21298	1.6
315.19321	38.2
382.17981	0.7
428.46011	0.8
495.34415	9.4
531.64832	0.8
533.25433	1.3
593.26880	3.6
593.41754	100.0
594.42334	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	595.1452
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03937	0.6
56.75319	0.3
59.83966	0.3
65.03945	2.8
67.05495	0.5
68.99786	0.4
69.03426	1.3
71.49657	0.4
71.50069	0.4
77.92897	0.3
79.05482	1.3
81.03423	3.9
82.03511	0.3
84.57027	0.3
85.02902	1.3
91.05483	12.3
92.06284	0.4
95.04993	0.6
96.06736	0.3
97.02896	0.8
99.04466	0.4
103.05499	0.5
105.03397	0.4
105.07011	0.6
107.04948	2.7
109.02869	1.3
110.03656	0.7
111.00803	0.4
115.05460	0.9
117.06979	0.4
119.04947	24.9
120.05760	0.8
121.02917	0.9
121.06543	0.5
125.05963	0.7
127.03912	0.6
128.06155	0.4
129.06975	0.7
131.04964	0.7
133.02814	0.3
133.06511	0.6
135.04404	1.3
137.05966	1.1
145.06480	0.8
147.04414	100.0
148.05139	1.2
151.03923	0.5
153.01839	1.1
153.05417	0.7
155.06047	0.5
161.06035	0.7
163.03900	1.7
165.05482	5.6
167.07039	5.4
173.06035	0.7
175.07507	0.8
177.05365	0.5
181.04968	13.2
185.05972	0.4
187.07582	0.5
189.05597	0.4
191.07013	0.8
205.08569	1.1
213.05443	0.6
215.07047	0.4
220.07417	0.9
221.08115	0.4
223.07864	0.4
231.06407	0.5
233.08121	0.5
235.09727	0.9
287.05508	19.9
291.08615	5.4
309.09579	1.6
355.11914	0.8
357.13306	0.4
368.69604	0.3
385.12915	2.9
397.12973	0.6
398.13635	1.9
415.13882	0.9
416.14648	12.6
420.63589	0.3
430.12643	0.6
459.90060	0.3
595.21722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18998	0.2
68.03654	0.3
70.95028	0.4
80.09721	0.3
119.50412	0.2
375.16602	0.4
388.16901	0.4
389.17606	0.7
403.19183	2.0
404.20200	0.8
405.20697	1.3
406.21741	0.3
416.20462	0.7
417.16019	0.6
417.21249	2.9
418.21823	1.5
419.22528	2.2
430.17706	0.8
431.18079	5.4
432.19379	1.1
432.24039	0.6
433.19336	0.4
433.24127	4.9
434.24731	0.8
445.19812	6.6
446.20639	3.0
447.21570	2.6
459.21710	2.5
460.22601	8.5
461.23389	6.5
473.23474	1.7
474.24243	0.5
476.25790	0.8
477.27039	0.6
487.25455	0.6
488.26358	0.3
489.26593	0.5
491.24799	0.5
492.25317	0.5
505.21796	3.3
518.23224	0.6
519.24188	0.6
533.25507	31.9
534.25934	0.8
547.27582	0.5
561.25067	0.5
564.22766	0.4
565.28125	0.9
575.26794	0.6
593.27594	100.0
594.27887	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.18009	0.4
70.07006	0.6
70.07409	1.2
97.81047	0.4
103.75864	0.4
219.51543	0.5
388.17194	0.5
389.17722	0.8
402.18567	0.7
403.19180	2.7
403.23962	0.4
404.20084	1.2
405.20874	1.4
415.20380	0.5
416.20282	0.9
417.16351	0.8
417.21472	2.7
418.21677	1.5
419.22305	3.9
430.17599	1.3
431.18250	8.0
431.24246	0.5
432.19608	1.7
433.24200	6.0
434.24765	1.0
445.19907	8.7
446.20691	4.3
447.21500	5.0
459.21704	4.2
460.22620	10.6
461.23392	9.9
473.24008	1.0
474.24152	0.8
476.25873	0.8
487.24905	1.4
489.26501	1.0
491.24426	0.8
492.25232	1.5
505.21973	5.2
518.22992	0.6
519.23712	0.7
533.25507	23.4
534.25964	1.1
561.24976	0.6
593.27600	100.0
594.27979	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01854	6.6
55.05515	17.6
57.03431	15.0
65.03941	5.0
65.04254	2.2
67.05508	45.6
69.03421	4.0
69.07063	9.5
69.08092	2.2
69.40375	4.6
69.40768	18.2
70.01262	2.4
71.04980	9.4
76.53196	2.2
79.05502	46.3
81.03422	89.5
81.07066	47.9
83.04977	25.6
83.08627	23.8
85.02438	3.5
85.02915	37.5
85.06557	3.5
90.95020	2.3
91.04912	3.7
91.05482	67.0
93.07044	31.2
94.77549	2.8
95.04958	30.9
95.08609	20.2
97.02898	5.2
97.06522	8.9
97.10158	4.4
98.84349	2.4
98.98458	10.2
99.08093	4.0
105.07034	46.8
107.04974	13.3
107.08627	11.8
109.06535	8.1
109.10151	6.4
111.04457	3.9
111.08067	12.2
113.05996	4.9
117.07018	6.7
119.08585	31.8
121.06513	2.5
121.10166	13.7
121.61945	2.5
123.08082	4.1
123.11734	2.5
125.09621	3.4
128.06279	3.0
129.07011	23.2
131.08560	19.9
133.06473	4.6
133.10135	20.9
135.08041	4.5
137.06024	3.2
137.09702	3.0
142.07784	5.7
145.10159	4.5
145.19165	2.5
147.08032	5.8
147.11682	21.4
149.09636	9.0
151.03726	2.8
153.05502	3.1
155.01059	4.0
157.10106	18.8
163.03935	2.7
165.12697	4.0
173.05942	3.3
175.11180	20.7
181.00253	2.7
185.08125	4.9
193.12254	77.1
211.13293	72.5
217.04971	2.3
267.15817	21.4
285.16962	9.7
347.12598	5.1
459.27585	11.4
477.28479	39.1
479.61111	3.1
495.29553	100.0
524.39526	2.4
593.29346	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	593.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78885	0.5
61.02914	0.5
69.03414	1.7
71.50012	0.7
76.74353	0.4
76.74931	0.5
78.04729	2.5
79.05479	1.9
81.03412	1.2
81.07047	0.6
85.02893	1.9
90.21209	0.4
91.05482	0.7
93.53983	0.4
95.04950	0.9
96.05731	0.5
97.02895	1.1
106.04153	1.6
107.04971	0.9
109.06525	1.4
115.05414	0.9
117.07025	1.3
122.03640	0.7
123.04441	6.4
124.05225	2.7
135.04456	0.7
137.05946	0.9
139.07532	1.3
145.06508	2.7
148.05238	0.7
151.03911	1.5
152.04703	4.0
158.07393	0.5
159.08054	0.6
161.06062	0.6
163.03889	1.0
166.06322	0.9
167.07054	100.0
168.07376	1.1
169.08505	0.4
173.06001	6.9
174.06775	1.2
175.07608	1.0
181.05022	3.0
181.08598	10.5
188.08348	14.5
189.05467	1.2
189.09093	1.4
190.09933	0.6
195.06544	18.7
202.12599	0.5
204.07849	4.0
205.08653	1.3
206.92960	0.4
219.10188	12.6
233.08061	0.7
234.99135	0.7
235.09741	0.7
239.74414	0.4
247.09691	4.6
249.11307	3.3
323.08594	0.6
331.63812	0.5
343.01303	0.5
370.14502	0.6
382.65314	0.5
401.16013	19.5
402.16333	0.5
431.17078	14.5
431.22766	0.8
432.17847	0.5
593.22333	44.0
594.22571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23894	8.0
55.05507	24.6
57.07084	9.1
59.10597	8.7
67.05505	46.4
67.47971	8.0
70.88237	19.3
72.74300	7.9
79.05495	20.9
81.07050	25.6
83.08634	17.7
91.05473	27.3
93.07047	31.6
95.04953	20.3
95.08609	21.6
105.07012	33.7
107.08577	18.7
109.10143	14.6
117.07007	14.6
119.08580	26.1
121.10153	11.3
133.10114	13.1
145.10083	21.1
147.11624	11.8
149.09636	19.5
159.11662	10.5
163.11166	19.8
179.68849	10.4
223.13281	16.3
257.18973	16.6
275.20193	100.0
290.32437	9.3
293.20950	30.3
295.80396	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	592.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01873	5.2
55.05515	10.0
57.07070	4.8
59.72486	1.9
60.04515	2.3
67.05513	18.7
67.24754	1.9
69.03421	5.3
69.07070	5.8
69.42430	7.1
69.42853	8.6
71.04993	3.8
71.08643	2.6
73.32310	1.8
76.10583	1.8
79.05502	18.3
80.05012	2.8
81.03424	4.6
81.07064	24.8
82.06580	3.0
82.07368	2.5
83.04966	2.9
83.08623	4.9
85.02895	3.0
87.04471	2.5
87.81593	1.7
91.05479	12.9
92.05777	3.1
93.07053	31.9
94.06583	17.2
94.07097	2.4
94.07378	2.2
95.04968	5.6
95.08620	23.8
96.08085	2.1
97.06548	9.0
97.10168	2.8
98.21284	7.5
105.07030	18.6
106.07337	2.2
107.07343	4.4
107.08598	6.3
109.10180	3.9
110.09698	11.7
111.08077	14.6
117.07015	3.1
119.08649	4.7
119.85298	1.8
121.06550	2.2
121.10111	2.7
122.09678	32.7
123.08067	26.5
125.09644	2.5
128.10721	28.7
131.08585	3.0
133.10110	4.7
134.10425	1.7
135.11685	3.5
140.10712	100.0
141.09105	9.6
145.10103	3.2
147.08054	2.3
147.11696	2.1
151.11224	2.6
157.10146	3.3
158.11777	8.5
173.06361	2.0
227.12845	2.2
237.51723	2.0
272.25827	8.3
274.18863	2.2
284.15845	3.3
291.19513	3.6
336.26331	2.1
364.32294	2.0
382.33203	10.0
394.33185	22.7
412.34210	58.8
508.60498	2.1
522.01147	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33455	10.6
62.62969	9.2
71.49221	12.2
73.02399	10.1
87.34837	11.9
108.79932	10.8
256.15948	11.8
445.19864	48.0
446.20987	15.9
592.26636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88354	3.9
53.03948	7.1
55.05510	18.2
56.11109	3.7
56.77143	4.0
57.03427	11.4
57.07078	52.4
65.23200	3.5
67.05506	67.0
69.07076	19.5
71.08633	38.3
71.49390	5.6
79.05503	44.3
81.07058	75.0
83.08604	18.5
85.10181	16.7
89.06026	4.1
91.05497	25.8
93.07050	52.6
95.08605	55.4
97.06531	3.9
97.10183	6.8
99.08063	5.5
102.29706	3.6
105.07029	15.6
107.08609	32.7
109.10175	22.9
117.07011	7.8
117.83731	3.9
119.08577	17.9
121.10146	26.2
123.11738	8.8
131.08578	23.9
133.10143	14.0
135.11710	19.9
137.13329	4.8
145.10153	11.6
147.11670	9.0
149.13286	13.0
159.11723	9.7
161.13283	9.3
162.46184	4.0
163.14839	8.3
173.13310	10.0
177.16365	5.6
187.14835	6.2
235.98453	4.4
239.23744	5.3
243.21124	21.9
261.22113	53.5
276.20239	4.5
313.27371	100.0
317.24789	9.7
335.25842	72.2
352.34891	4.1
411.32269	4.4
415.48233	4.1
493.38907	5.3
573.48846	20.3
591.49237	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	591.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	3.2
55.05512	19.4
57.03440	11.8
57.07080	47.2
59.90858	3.5
61.30851	3.1
65.03936	3.5
67.05512	65.7
69.07067	17.8
69.22874	26.3
69.45036	2.5
71.08637	31.6
77.07107	2.7
78.19981	2.5
79.05501	40.2
81.07069	61.8
83.08621	17.3
85.10199	16.0
91.05497	23.0
93.07052	54.1
95.04986	3.2
95.08624	60.7
97.06642	2.7
97.10191	6.6
98.21481	4.7
99.08108	5.6
105.07048	17.5
107.08612	31.4
109.10176	28.5
111.11736	3.2
115.92443	2.8
117.07036	9.2
117.18604	2.5
117.23305	3.0
119.08595	13.9
121.10158	26.3
123.11723	9.9
131.08559	15.0
133.10103	7.4
135.11734	18.2
137.13261	9.1
145.10194	14.0
147.11703	6.7
149.13242	13.8
159.11688	8.8
161.13237	5.8
163.14850	10.2
173.13280	7.1
175.14842	3.1
177.16432	4.8
179.14476	3.2
187.14896	4.6
239.23779	2.9
243.21089	24.1
261.22134	55.8
265.07443	3.7
313.27417	100.0
317.24847	11.7
335.25839	54.0
493.39438	4.6
573.48871	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	590.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.05508	14.6
55.72974	3.7
57.07070	14.7
67.05511	31.0
69.07071	11.5
71.08630	11.6
71.15374	10.4
77.23813	4.4
79.05503	15.2
79.35174	4.6
81.03430	9.4
81.07050	29.8
83.08614	12.1
85.10186	24.9
91.05490	12.8
93.07044	17.1
95.04983	11.9
95.08607	16.1
97.10241	5.1
99.08073	7.1
105.07037	13.9
107.08574	13.0
109.10184	10.8
112.89992	3.9
113.09642	25.8
119.08563	11.3
120.08884	4.3
121.10161	6.8
123.08074	6.0
131.08560	6.2
133.10156	11.1
135.11731	7.5
147.11659	10.2
159.11720	5.3
161.13184	5.7
163.11147	5.5
165.12701	31.7
173.33308	4.3
179.14394	5.8
180.83325	4.0
241.19327	4.7
255.59634	4.9
259.20584	8.9
275.97787	4.5
277.21634	59.4
295.22681	100.0
313.27386	5.7
529.21417	4.9
590.49036	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	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03940	3.9
55.05520	18.7
57.03441	15.8
57.07079	46.7
57.08914	1.7
65.03919	2.4
67.05509	75.5
69.07071	18.8
69.78431	7.4
71.08636	27.6
78.86292	2.0
79.05075	3.0
79.05499	43.1
81.07058	80.1
83.04976	1.6
83.08624	14.0
85.06536	2.5
85.10194	13.0
91.05489	21.9
93.07049	51.6
95.04973	1.8
95.08613	69.2
97.10156	5.4
98.20841	2.2
105.04539	2.2
105.07018	13.6
107.08600	31.5
109.10155	31.1
111.11739	2.1
113.09630	1.9
117.07020	6.4
119.08585	13.1
119.87302	1.5
121.10154	25.7
121.10962	2.9
123.11688	12.6
125.13275	2.1
130.00774	1.7
131.08548	13.3
133.10146	10.6
135.11693	21.0
137.13293	4.0
137.32745	1.6
145.10133	10.7
147.11674	8.0
149.13301	12.4
157.44298	1.6
159.11691	11.4
161.13266	5.6
163.14832	6.3
173.13251	10.2
175.14864	2.6
176.10616	2.0
187.14813	5.2
233.22543	1.9
239.23706	5.8
243.21104	13.9
256.18423	1.9
261.22137	65.9
277.35437	1.8
299.23712	2.2
313.27383	100.0
314.27652	2.1
317.24802	14.9
335.25830	62.5
499.45450	2.9
573.48969	22.2
591.49487	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	590.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01857	3.7
55.05510	23.8
57.07063	11.2
67.05509	44.4
69.07056	15.0
70.08387	16.6
71.08606	6.8
76.38604	3.0
79.05145	3.3
79.05505	33.0
81.03394	4.2
81.07059	40.4
83.08628	23.4
89.55492	3.0
91.05487	31.9
93.07044	34.0
95.04967	25.6
95.08612	33.3
96.08898	4.0
97.06533	6.8
97.10155	8.2
105.07039	28.3
107.04960	6.2
107.08597	17.6
109.06538	3.3
109.10155	14.5
111.08087	4.7
117.07005	11.6
119.08605	27.9
121.06518	3.4
121.10142	20.7
123.08064	5.1
123.11693	5.1
125.09618	7.1
129.06972	5.4
131.08560	14.4
133.10126	31.8
135.11716	8.6
137.09593	4.7
145.10107	20.6
147.07979	4.6
147.11679	13.6
149.09651	24.4
151.11223	5.4
157.10110	5.0
159.11665	9.3
161.08261	3.2
161.09578	4.2
161.13235	6.7
163.11177	20.1
171.11624	4.6
173.13307	4.4
175.14803	4.4
179.14236	6.7
189.11214	5.5
214.12032	3.1
223.13309	21.4
229.19542	4.9
239.18015	11.6
257.19012	13.1
261.22202	5.3
275.20071	100.0
277.21713	6.0
293.21143	27.7
311.25827	4.7
313.27237	4.4
335.25632	5.6
574.94678	3.9
590.48871	22.1
596.43323	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	590.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01857	2.9
55.05516	14.5
56.05862	2.1
57.03439	16.1
57.07080	42.9
61.79264	1.9
67.05504	25.3
69.07067	12.4
71.08636	28.3
71.23914	3.7
79.05494	20.9
81.03423	49.1
81.07059	37.4
82.07421	2.9
83.05002	2.7
83.08620	21.0
85.10183	17.9
87.63517	2.0
89.06027	1.9
91.05478	22.7
92.05826	3.4
93.07042	20.6
94.07357	3.8
95.04973	15.9
95.08598	30.5
96.08920	2.8
97.10163	9.2
99.08067	2.4
105.07029	22.4
107.04922	2.3
107.08604	11.4
108.08945	2.3
109.06509	3.4
109.10145	13.5
110.10490	2.7
111.08083	4.5
117.07001	2.7
117.59984	2.0
119.08568	20.2
120.08909	5.7
121.10124	7.6
122.10424	3.4
123.11713	5.0
129.06956	6.3
129.26128	2.1
130.10370	1.9
131.08536	10.0
133.06482	2.1
133.10136	12.8
134.10472	3.2
135.11710	6.7
136.12030	2.9
145.10101	5.7
147.11647	12.3
148.12003	4.9
149.09619	3.9
157.10133	7.1
159.11711	3.2
161.13208	9.3
162.13614	3.5
171.11638	3.0
172.12189	2.1
174.13593	2.5
175.11266	5.6
175.14815	3.8
176.15105	3.1
185.13219	3.9
187.14836	2.3
193.12242	15.5
239.23763	1.9
241.19499	6.7
242.19878	6.7
249.14842	2.6
259.20523	11.4
260.20880	13.3
261.21942	2.4
261.85577	2.0
267.13034	4.0
267.15915	82.8
275.19922	3.8
291.23151	2.2
293.21185	2.5
294.21814	2.2
313.27377	100.0
314.27731	24.9
333.24228	6.0
334.24664	7.6
337.09695	2.4
505.38824	56.5
572.46570	2.8
590.48401	9.9
594.91388	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	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
53.87455	1.5
53.98581	1.0
55.01881	1.4
55.05281	1.3
55.05518	19.6
57.03437	11.0
57.07079	48.2
58.27583	1.0
67.05507	38.6
69.07073	18.2
69.30511	10.6
71.04977	3.7
71.08636	30.1
79.05496	32.9
80.80840	1.1
81.03429	1.5
81.07057	47.2
83.04972	2.2
83.08620	16.4
85.06541	2.5
85.10184	15.5
91.05486	51.1
93.07050	37.8
95.04966	1.8
95.08611	42.4
97.06548	1.3
97.10176	6.5
99.08105	3.7
103.05470	1.2
105.07039	58.8
106.07398	1.1
107.08597	21.7
109.10162	18.9
111.11719	2.0
114.64789	1.1
117.07023	14.2
119.08583	51.6
120.08887	1.4
121.06548	1.0
121.10157	16.2
123.11696	5.5
125.09596	1.2
129.07016	7.6
129.62962	1.1
130.07765	1.3
131.08562	21.6
131.83598	1.2
133.10133	36.5
135.08026	1.7
135.11702	16.4
137.09644	2.4
137.13290	2.3
142.07800	2.3
143.08563	8.4
145.10115	18.2
147.08038	1.8
147.11693	37.7
149.09599	2.7
149.13266	9.4
157.10152	6.7
159.11688	15.4
161.09564	1.4
161.13261	37.7
163.11148	2.2
163.14803	4.7
171.11717	13.1
173.13260	8.9
175.11206	1.9
175.14842	17.5
177.12766	2.3
179.14305	1.6
183.11777	1.3
185.13286	10.6
187.14836	4.6
189.12677	2.0
189.16425	1.8
199.14917	6.1
203.14299	2.1
213.16373	3.1
215.18027	2.9
217.19514	1.6
231.17459	1.4
231.21091	10.1
233.12782	1.3
239.23672	5.6
241.19524	42.4
259.20587	100.0
260.20901	1.6
277.21646	4.8
289.21628	1.4
313.27374	99.5
314.27606	2.6
315.20023	1.1
315.23166	7.0
333.24265	51.3
392.47031	1.1
466.56400	1.3
493.89551	1.2
497.43237	1.8
571.47327	9.7
589.48029	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01868	2.2
55.05516	18.4
55.52763	1.9
55.57619	1.9
56.16700	1.8
57.03442	14.4
57.03693	2.8
57.07082	48.1
67.05510	50.9
69.07077	23.0
71.04997	2.3
71.08295	2.7
71.08641	34.7
79.05070	3.1
79.05501	43.5
79.05965	2.6
81.06599	3.2
81.07069	58.0
83.04982	2.4
83.08622	18.6
85.06541	2.6
85.10188	18.4
85.40976	1.8
91.05488	56.2
93.07047	45.9
95.04948	2.3
95.08611	50.7
97.10162	8.0
99.08098	4.5
103.05467	2.3
105.07043	62.6
107.08607	28.7
109.10156	22.5
111.11721	2.3
115.05482	3.1
117.07026	10.9
119.08588	54.8
121.10148	23.2
123.11707	6.7
125.09656	1.9
128.06192	3.9
129.06984	9.9
131.08588	22.0
133.10147	41.2
135.11717	20.1
137.13271	2.3
142.18811	1.9
143.08572	8.9
145.10123	23.0
147.11700	45.7
149.13245	10.9
151.11218	2.1
157.10129	10.3
159.11716	18.6
161.13278	33.7
161.14612	2.5
163.14867	3.0
171.11784	11.7
173.13264	11.3
175.14825	14.0
185.13232	12.1
187.14824	3.9
199.14842	6.6
231.21120	9.4
239.23668	4.7
241.19530	37.5
259.20621	88.3
277.21588	3.3
311.25803	2.1
313.27371	100.0
315.23203	7.0
333.24252	50.5
349.23264	2.8
497.43097	2.5
571.47229	9.7
589.48419	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.05270	2.2
55.05518	25.5
57.03450	14.3
57.07080	51.1
65.03955	2.3
67.05509	48.9
69.07077	19.7
71.04992	2.5
71.08635	37.8
79.05500	40.0
79.36472	1.6
80.02184	1.4
81.03413	1.8
81.07063	56.8
83.08624	14.7
85.06541	2.7
85.10192	15.4
86.19124	1.6
89.06050	2.2
91.05490	54.8
93.07050	53.8
95.04964	2.5
95.08613	51.1
97.06533	3.4
97.10178	6.6
98.20720	3.1
99.08098	4.5
103.05502	1.6
103.07514	1.9
105.07042	64.2
107.04980	1.9
107.08604	24.1
109.10156	18.6
111.11808	1.8
113.09701	2.1
117.07024	16.0
119.08590	55.3
121.10162	18.9
123.11731	5.8
125.13257	1.7
129.07028	9.2
131.08583	25.4
133.10143	49.9
135.08081	1.9
135.11725	18.6
137.09570	1.8
137.13280	3.5
137.78687	2.1
143.08578	10.3
145.10124	18.8
145.11157	1.9
147.11708	40.1
149.09627	1.9
149.13254	10.3
157.10149	8.5
159.11693	19.3
161.13269	33.6
163.11186	4.1
163.14825	4.3
171.11711	15.5
173.13274	13.7
175.14879	16.1
177.16280	1.7
179.14322	4.4
185.13260	11.6
187.14865	2.9
189.12675	2.4
189.16423	1.9
199.14842	4.6
203.14465	2.1
213.16379	3.2
217.19490	3.5
231.21083	11.8
239.23718	5.2
241.19527	40.3
252.78998	1.9
257.24915	2.3
259.20590	100.0
275.20041	5.2
276.20306	2.0
277.21655	7.0
291.97668	1.6
313.27393	99.0
315.23282	7.0
333.24225	52.1
338.02032	1.7
351.25354	3.1
497.43872	2.5
548.51752	1.7
571.47198	8.9
589.48230	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	588.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01847	2.8
55.05518	20.3
59.06907	2.2
67.05507	24.3
69.07094	11.6
69.30739	18.5
69.31164	4.7
79.05499	24.4
81.03421	5.4
81.07060	24.5
83.04958	3.3
83.08636	17.2
91.05480	23.9
93.07050	26.3
95.04964	21.3
95.08620	20.7
97.06555	5.0
97.10162	4.8
98.20676	4.6
105.07035	28.9
106.59918	2.4
107.04972	6.7
107.08619	18.9
109.06503	7.0
109.10133	9.2
117.07011	8.9
119.08578	23.4
121.10139	12.5
123.08066	3.0
125.09532	4.1
131.08559	12.4
133.10136	22.1
135.08047	6.4
135.11682	7.2
137.09636	3.2
143.08559	3.1
145.10139	19.9
146.40582	3.0
147.11728	11.1
147.38409	2.3
149.09621	22.5
149.13216	3.5
151.11253	3.6
157.10098	3.8
159.11647	8.5
159.91837	2.4
161.13235	3.4
163.11198	25.6
165.12761	3.4
169.10117	4.4
171.11664	4.5
173.13240	6.9
177.12732	4.9
183.11720	2.8
185.13177	3.0
185.58261	2.3
187.64001	2.5
189.11090	3.2
189.12753	2.9
197.13083	3.1
223.13275	18.8
236.77240	2.3
239.17905	9.1
257.19000	14.2
275.20078	100.0
277.16489	2.5
293.21201	27.8
588.47247	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.3
53.03939	10.1
55.01873	7.3
55.05512	35.2
57.07083	4.6
60.35624	2.8
65.03939	5.2
67.05511	80.3
69.07071	52.8
69.90804	15.1
71.05001	9.3
79.05496	62.1
81.03419	11.4
81.07066	100.0
83.04981	12.4
83.08625	23.7
85.06536	8.1
85.42336	2.4
91.05490	66.4
93.07048	66.1
95.04970	29.1
95.08614	58.2
97.06530	12.1
97.10178	7.8
99.08105	4.8
99.25550	2.6
105.07040	60.7
107.04944	8.1
107.08601	34.3
109.06532	11.1
109.10166	20.3
111.08088	7.0
114.41756	2.9
114.59087	2.8
117.07009	18.0
119.08599	50.9
120.60811	2.5
121.06527	5.7
121.10137	21.4
123.08098	20.1
123.11716	12.6
128.06282	3.5
129.07034	8.1
131.08591	24.7
133.10152	35.8
135.08076	5.4
135.11711	14.0
137.09631	10.2
145.10146	25.6
147.08101	4.5
147.11716	30.6
149.09607	17.4
149.13271	8.8
151.11212	3.5
157.10150	6.2
159.11699	19.5
161.13312	11.3
163.11192	12.5
171.11725	7.0
173.13306	8.1
177.12761	4.0
183.11911	3.0
193.12292	4.7
195.13809	11.3
197.13403	3.5
201.12761	4.1
209.76729	3.1
229.19583	3.9
237.14885	3.5
239.18031	7.3
257.19019	11.9
259.20764	3.1
261.22107	3.3
275.20093	91.2
276.20447	3.1
293.21106	13.6
588.47198	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	588.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89738	0.3
52.94557	0.3
55.05507	0.6
57.07055	1.2
67.05494	1.0
69.07067	0.5
69.80551	1.7
71.08646	0.8
72.95589	0.3
81.07050	1.2
91.05500	0.6
93.07047	0.6
95.08591	0.7
98.98473	3.0
105.07032	0.5
115.13686	0.3
118.06509	0.4
119.08572	0.6
120.08115	30.0
125.00017	8.8
131.07317	1.0
133.08954	0.4
145.10080	0.4
146.09657	77.4
148.07582	1.7
148.11201	0.7
149.08353	0.9
152.10718	7.1
158.03114	0.4
164.10727	25.9
165.11470	1.2
166.08640	1.8
166.12221	0.6
176.23167	0.4
178.12283	70.9
179.12656	0.6
196.13341	100.0
197.13556	0.9
210.08990	0.3
223.72583	0.4
226.06287	0.4
238.68008	0.3
244.07396	1.7
276.09976	82.9
277.10370	0.7
350.13702	1.0
352.60675	0.4
472.61472	0.4
496.52081	0.4
522.66742	0.4
570.35510	9.0
588.36633	36.2
589.37128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20410	2.6
53.03948	7.4
55.01871	10.1
55.05319	2.9
55.05521	26.4
55.57572	2.3
57.03446	3.5
57.07081	39.3
62.32770	2.4
64.85953	2.4
67.05508	55.7
67.53855	2.2
68.34789	2.0
69.07074	43.4
69.99973	12.1
71.04987	2.2
71.08643	21.1
79.05074	3.9
79.05499	36.6
81.03429	5.7
81.07063	65.9
83.04978	5.9
83.08636	15.3
85.10184	10.7
91.05484	46.6
93.07061	32.4
95.01334	10.5
95.04980	9.2
95.08614	57.3
97.06535	17.5
97.10184	8.7
99.08094	3.2
102.74784	2.5
103.05446	3.2
105.07043	80.0
107.04957	17.5
107.08608	20.8
109.06538	4.4
109.10162	19.4
114.02182	2.5
117.07037	15.6
119.08592	36.0
121.10133	6.5
123.04433	3.4
123.11696	3.0
129.07097	2.7
131.08597	22.5
133.10146	40.3
135.11736	9.9
137.13358	2.5
143.08636	5.0
145.10130	20.1
147.11700	11.2
149.09660	5.7
149.13345	3.5
156.73912	2.6
159.11679	12.8
161.13300	7.8
163.11255	3.3
168.67299	2.5
169.10266	3.0
173.13202	5.0
177.12810	5.5
179.14330	27.3
183.11694	3.9
185.13272	2.7
187.11288	3.2
239.23764	2.8
257.19141	12.5
257.94550	2.5
275.20081	100.0
277.21552	3.3
290.06747	2.7
293.21063	6.1
331.22766	3.0
349.23672	3.6
358.29355	2.7
361.44730	2.8
393.97885	3.2
587.46777	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49097	1.2
53.03952	8.0
54.13692	1.1
55.01879	15.5
55.05272	2.5
55.05519	35.6
57.03450	3.2
57.07083	42.4
58.34475	1.2
65.03941	4.4
67.05512	63.6
69.03445	2.2
69.07078	56.9
69.52660	8.2
71.04987	3.9
71.08640	36.9
77.53584	1.3
79.05502	40.2
81.03439	8.3
81.07066	79.0
83.05010	8.3
83.08625	29.4
85.06544	3.5
85.10193	13.0
88.95989	1.4
91.05492	62.5
93.07056	50.7
95.01350	12.5
95.04981	11.4
95.08617	63.7
97.06551	20.1
97.10189	14.5
99.08118	6.0
103.05502	3.0
105.04594	2.5
105.07046	76.5
106.93513	1.4
107.04964	19.9
107.08605	27.8
109.06536	6.0
109.10168	19.6
111.04464	1.3
111.08091	4.7
111.11745	3.3
113.09685	2.2
115.05486	1.6
117.07033	15.9
119.08591	45.1
121.06528	3.2
121.10159	12.7
123.04427	2.6
123.08111	3.8
123.11747	6.6
125.09632	2.8
128.06216	1.7
129.07045	3.6
130.07697	1.6
131.08578	23.0
133.10150	41.2
135.08084	3.4
135.11690	12.6
137.09621	2.0
137.13307	1.9
143.08615	4.6
145.06511	2.7
145.10132	21.9
147.11699	20.5
149.09651	7.5
149.13255	6.6
151.11169	6.2
155.08563	2.3
157.10219	5.2
159.11737	12.5
161.13286	8.9
163.11183	6.5
165.09210	1.6
169.10126	3.3
171.11717	2.5
173.13313	4.7
177.12801	5.7
179.14346	37.7
183.11736	2.8
185.13388	3.3
187.11235	3.0
187.14825	1.4
195.13849	1.5
197.13338	3.4
203.91475	1.3
219.17537	4.0
219.85429	1.3
229.19592	2.4
233.15439	1.9
237.22180	5.0
239.17979	3.8
247.20697	3.3
250.06378	2.5
251.06674	1.3
257.18973	12.4
259.20758	1.5
274.42743	1.4
275.20102	94.1
276.20450	1.6
277.21649	9.6
293.21194	5.6
306.12692	1.9
307.13168	2.0
313.27475	5.6
338.25589	1.4
349.23871	4.1
362.18820	1.7
363.19254	2.1
418.25125	2.0
419.25525	2.2
474.31274	1.8
475.31879	3.9
499.89359	1.4
531.37927	5.2
587.46783	100.0
588.47107	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	587.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.5
53.03936	9.8
54.17016	3.0
55.01863	11.2
55.05268	4.2
55.05513	47.6
57.03431	7.4
57.07063	14.4
57.07311	3.1
57.31564	3.1
65.03954	3.8
67.05508	74.3
69.03441	3.4
69.07072	33.7
70.99992	8.1
71.05006	3.7
71.08644	38.4
79.05496	76.3
81.03430	17.4
81.07057	94.7
81.07532	6.3
83.04977	9.3
83.08163	4.5
83.08621	44.6
85.02805	3.3
85.06543	3.5
85.10178	11.6
89.76521	3.1
91.05486	61.1
93.06493	5.6
93.07047	82.0
93.62328	3.5
95.04981	69.7
95.08619	53.0
97.06525	16.2
97.10162	12.4
99.08088	22.7
105.07031	48.8
107.04949	16.5
107.08599	55.7
109.06490	10.9
109.10171	26.0
111.08080	8.1
113.09645	12.6
117.07001	17.5
119.08588	47.9
121.06478	9.7
121.10143	38.6
121.62566	3.3
123.08065	8.9
123.11761	3.9
125.09625	12.0
129.07011	5.8
131.08586	23.5
133.10139	33.3
135.08008	4.7
135.11699	42.2
137.09615	4.9
141.06985	4.5
143.08565	5.3
145.10126	33.0
147.08105	4.2
147.11703	17.5
149.09615	29.7
149.13252	15.8
151.11186	13.7
157.10135	5.3
159.11748	19.3
161.12076	4.0
161.13240	17.5
163.11179	38.6
165.12743	16.3
169.10083	4.3
171.11674	8.7
173.09630	4.1
173.13226	5.8
175.11162	6.3
177.12679	5.8
179.12758	6.1
179.14317	99.6
183.11542	4.6
189.11270	6.7
191.14337	5.8
195.88388	3.6
205.12239	5.3
219.17480	4.9
223.13292	40.5
239.17992	5.8
247.20624	6.9
257.18958	13.0
275.17038	3.7
275.20065	89.3
277.21649	100.0
293.21133	57.1
295.22647	29.3
313.27322	3.9
334.49905	3.5
370.68530	3.7
396.04376	3.8
493.44995	3.7
587.47211	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	587.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01875	11.2
55.05516	47.2
55.69120	1.0
57.03432	3.7
57.07081	7.5
59.04981	1.7
65.03934	3.3
67.05508	53.6
69.03423	3.1
69.07069	23.9
71.04987	4.7
71.08629	5.1
71.40837	1.2
71.41175	1.3
79.05495	58.5
81.03423	6.7
81.07060	100.0
83.04986	15.9
83.08623	32.5
85.02902	2.8
85.06548	3.0
85.10203	2.5
91.05483	37.1
93.07047	55.2
93.07641	2.7
95.04972	19.0
95.08611	36.4
97.06541	7.9
97.10177	32.1
99.04451	2.0
99.08099	2.2
101.09697	1.2
105.04520	2.5
105.07034	31.7
107.04971	7.8
107.08600	37.5
109.06518	11.5
109.10163	24.7
111.04446	18.6
111.08093	9.8
113.09631	1.5
115.05462	1.2
117.07018	16.6
119.04881	1.4
119.08587	36.0
121.06513	8.3
121.10141	23.6
123.08074	15.9
123.11721	6.3
125.06036	1.5
125.09635	29.2
128.06224	1.3
129.07011	7.6
130.07799	1.9
131.08565	22.2
133.06458	3.0
133.10147	17.0
135.08087	8.0
135.11703	17.7
137.09605	4.8
137.13284	1.7
139.11200	3.5
142.07796	1.6
143.08571	8.5
144.09343	1.6
145.06467	1.8
145.10129	26.8
147.08060	11.2
147.11711	12.1
147.39940	1.0
149.09618	7.3
149.13272	7.8
151.11211	3.9
153.09109	6.5
153.12747	8.0
155.08514	3.1
157.10132	6.9
159.08067	1.9
159.11710	14.2
161.09671	7.1
161.10745	1.1
161.13223	4.9
163.11195	17.2
163.14825	3.8
165.09087	5.9
165.12749	2.4
167.10657	1.3
169.10135	3.4
170.81184	1.0
171.10277	1.8
171.11717	5.2
173.09631	3.2
173.13254	6.9
175.11160	3.1
175.14832	2.9
177.12840	2.6
177.16313	1.2
179.14323	2.5
181.10318	1.4
181.10655	1.7
181.12212	10.9
183.11740	2.8
185.13237	3.5
187.11096	2.0
187.14809	2.1
189.11224	26.4
189.12706	2.2
191.10712	10.9
191.14357	1.1
193.12300	1.9
195.11647	1.7
197.13310	2.5
199.14821	3.0
201.16403	1.3
203.14296	1.8
205.12436	1.1
207.13852	1.3
209.11786	2.6
211.14923	1.8
213.16347	2.0
215.17957	1.0
219.17554	1.0
221.15492	1.0
223.13261	6.6
227.12782	12.5
227.17902	1.4
237.14819	1.5
239.18063	1.6
241.19403	1.8
243.21016	4.3
245.18921	2.5
247.20488	1.2
249.14854	3.3
249.18628	1.8
255.17490	3.1
257.18961	3.1
259.20648	2.7
261.22168	28.9
263.16168	1.1
263.19925	1.0
273.18509	24.7
275.20074	13.8
277.21655	13.9
279.23184	4.3
285.21890	1.1
289.21927	1.1
291.19559	74.6
293.21121	4.4
309.20639	7.9
313.27478	1.4
315.23248	1.7
317.24689	1.3
331.22632	1.4
359.29343	1.2
383.29462	2.0
395.29593	1.7
401.30569	1.4
413.30502	2.6
431.31351	4.3
459.34512	1.4
469.33438	1.6
515.38922	2.6
533.39728	2.9
551.40955	7.8
569.41895	11.2
587.45447	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	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01864	6.8
55.05520	32.1
57.03426	14.3
65.03943	4.7
67.05502	100.0
69.03426	3.3
69.06229	2.7
69.07067	19.5
71.01312	3.5
71.04990	3.3
71.08606	3.3
71.10689	7.2
71.60055	3.5
79.05492	68.8
81.03421	35.5
81.07057	76.7
83.04966	5.0
83.08607	12.0
91.05483	48.9
93.07050	55.7
95.04972	62.9
95.08610	55.3
97.06525	6.9
97.10179	8.1
103.05435	3.8
104.10724	4.7
105.07029	34.1
107.04941	13.9
107.08610	35.1
109.02867	14.3
109.06508	9.5
109.10162	25.6
111.08057	6.0
115.05478	3.3
117.07030	18.9
119.08596	28.2
121.06502	9.3
121.10169	20.0
123.04431	75.3
123.08066	6.2
123.11731	7.0
124.50306	2.9
125.09592	10.0
128.06227	5.8
129.06973	13.6
131.08556	24.1
133.06477	3.4
133.10141	13.5
135.08119	6.9
135.11697	20.1
137.09612	3.8
143.08551	8.9
145.06479	4.5
145.10092	27.9
147.08119	8.0
147.11717	15.1
149.05975	7.8
149.09561	4.8
149.13229	7.6
153.09071	7.1
155.08545	4.2
157.10130	5.4
159.08015	5.0
159.11708	8.8
161.13275	6.5
161.41663	3.2
163.11174	19.1
171.08034	3.6
171.11697	10.1
173.09557	7.6
173.13191	6.5
179.14273	3.9
181.10030	4.0
185.13196	5.1
187.14822	3.4
189.11168	4.6
189.12741	11.5
191.10638	5.4
198.35959	3.3
199.11220	5.0
207.13811	16.8
217.12312	6.8
221.15421	3.7
227.12833	5.0
235.13274	82.4
261.22031	7.8
277.14850	3.0
309.16968	53.6
335.25800	92.6
569.30206	5.1
569.38348	57.3
587.39600	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01875	5.6
55.05513	30.1
57.03448	13.0
57.07059	4.7
65.03932	6.2
67.05506	91.1
69.03455	2.1
69.07076	15.5
71.01350	5.4
71.04980	4.5
71.49909	2.2
75.80525	1.8
76.46848	1.7
79.05497	66.2
81.03425	32.7
81.07060	70.4
83.04966	6.7
83.08608	12.9
85.06530	4.3
90.91238	1.8
91.05480	41.8
93.07050	55.7
95.04975	77.2
95.08616	45.3
97.06532	4.4
97.10183	13.9
103.05437	2.2
105.07040	30.3
107.04955	15.0
107.08602	35.3
109.02890	15.6
109.06519	10.9
109.10149	21.0
111.08076	4.5
117.07030	16.3
119.04898	2.3
119.08594	29.1
121.06492	7.5
121.10143	29.4
123.04434	84.6
123.08049	5.3
123.11714	4.7
125.06116	2.0
125.09601	8.4
128.06226	3.9
129.06976	12.8
131.04985	2.2
131.08578	21.8
133.06483	4.4
133.10150	16.6
135.08072	10.0
135.11703	21.0
137.09567	2.0
137.13269	2.4
139.03879	2.9
143.08571	9.9
145.06490	5.8
145.10129	28.2
147.08031	9.2
147.11710	12.9
149.05899	2.2
149.09607	4.5
149.13248	6.2
153.09096	5.1
155.08551	4.4
156.09384	2.5
157.06488	2.5
157.10146	6.6
159.08075	3.9
159.11679	8.8
161.09680	2.7
161.13251	6.5
163.11205	23.7
163.14743	3.0
165.12819	2.1
167.08632	2.1
169.10101	3.3
171.11697	12.6
173.09650	12.1
173.13243	4.1
175.11172	2.9
175.14842	2.1
179.14359	2.4
183.11717	3.7
185.09677	2.1
187.11320	2.6
187.14809	2.0
189.11261	2.9
189.12740	13.5
191.10678	3.5
195.11783	2.5
199.11223	3.4
207.13776	16.5
217.12267	12.6
221.15320	4.6
227.12755	2.6
235.13306	100.0
243.20944	2.5
253.14159	3.1
261.22168	11.3
273.14685	2.6
286.49884	2.2
309.16983	53.5
335.25824	85.9
336.26056	3.7
473.39859	2.0
477.33569	6.9
495.34564	4.5
551.37292	3.7
569.30194	3.1
569.38458	51.0
587.40179	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	587.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50146	2.4
53.03946	9.8
55.01867	10.0
55.05515	29.6
57.03437	10.8
57.07075	6.0
61.69173	2.3
65.03926	5.6
67.05507	90.6
69.03415	4.2
69.07072	24.0
71.01346	7.2
71.04994	6.3
71.08643	3.4
71.49274	4.9
71.74888	2.2
77.37149	2.2
79.05495	59.5
81.03428	31.4
81.03880	4.4
81.06593	3.9
81.07059	64.1
83.04974	8.5
83.08630	11.7
85.06550	4.7
91.05484	43.7
93.07046	58.6
95.04975	66.5
95.08611	40.8
97.01283	2.2
97.06520	6.4
97.10169	12.2
103.05471	3.0
105.07039	34.2
107.04958	14.4
107.08595	38.6
109.02876	10.5
109.06478	8.2
109.09464	2.9
109.10155	21.0
111.08082	3.6
115.05453	4.6
117.07012	15.6
119.08587	23.7
121.06493	7.1
121.10160	21.1
123.04430	73.4
123.05331	4.1
123.08022	5.3
123.11684	4.9
125.09662	6.6
128.06271	2.8
129.07008	10.5
130.78465	2.1
131.04837	2.4
131.08583	24.9
133.06508	7.2
133.10146	14.5
135.08055	6.0
135.11697	17.3
137.06044	3.1
137.09697	3.0
143.08543	6.1
145.06503	3.8
145.10143	28.1
147.08044	7.4
147.11690	9.9
149.06013	5.4
149.09656	6.3
149.13229	5.3
153.09081	5.4
155.08577	6.2
157.06499	2.2
157.10175	4.2
159.11693	9.8
161.09610	3.6
161.13257	8.2
163.11189	19.9
165.12793	2.5
169.10146	4.8
171.11659	13.2
173.09645	10.8
173.13251	6.9
175.14749	3.7
189.11214	3.2
189.12752	11.2
189.14256	2.2
191.10777	6.0
199.11122	5.1
199.14912	3.9
205.06212	2.1
205.12125	2.3
207.13770	13.8
214.02571	2.4
217.12262	10.6
221.15462	3.7
235.13286	88.8
253.14212	4.0
261.22134	8.2
273.14996	3.5
275.19980	2.8
309.16968	55.1
332.47137	2.3
335.25806	100.0
400.64764	2.2
477.33548	5.2
481.96979	2.5
495.34555	3.7
569.38391	57.9
587.39630	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98307	4.8
71.49556	6.3
76.76472	4.6
79.05485	20.5
82.10406	4.6
93.46467	4.7
95.04971	28.0
96.62988	4.7
97.02860	5.7
107.04967	98.3
109.02877	18.6
121.06541	6.1
123.04420	9.3
125.02353	14.3
133.02773	7.4
144.35774	5.5
149.05965	11.9
151.03922	100.0
153.05475	6.7
177.05437	21.7
180.95036	4.8
184.96599	4.8
195.06543	28.1
213.07567	58.3
340.79996	5.2
434.92883	4.8
547.87939	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	587.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01855	4.6
55.05503	11.6
57.03431	5.0
59.08885	2.4
67.05248	2.3
67.05514	25.5
67.58611	2.6
69.03429	8.2
69.07069	8.3
70.06870	6.8
70.07287	9.3
71.04989	4.1
79.05498	18.9
81.03427	20.4
81.04515	2.7
81.07066	32.6
83.04990	6.9
83.08636	5.5
85.02906	7.4
91.05498	26.0
93.07056	19.9
95.04970	34.5
95.08599	25.1
97.02919	7.0
97.06534	8.4
97.10168	4.6
98.20842	3.9
99.04447	3.5
105.04508	4.0
105.07050	16.2
107.04970	6.0
107.08581	11.9
109.02885	9.4
109.06532	6.2
109.10138	9.5
111.08028	3.1
115.05479	3.4
117.07005	5.3
117.35376	3.0
119.04906	3.5
119.08562	14.6
121.02861	3.5
121.06511	5.7
121.10157	6.7
123.04439	15.4
123.08089	4.9
127.03927	11.5
129.07013	5.4
131.04926	4.7
131.08540	5.4
133.06473	3.6
133.10129	12.9
134.70074	2.9
135.08095	4.4
135.11734	5.6
136.31538	2.5
137.09653	4.5
140.10486	2.5
145.06459	5.5
147.04417	6.3
149.13206	3.0
151.02763	5.9
151.03918	100.0
151.07620	6.0
157.10194	4.0
159.11670	4.5
161.13269	9.4
167.07042	5.3
173.05977	5.6
173.13281	3.6
179.14288	16.9
185.09673	3.4
187.11160	2.6
189.05553	2.9
191.10561	3.4
193.04901	13.2
199.07504	3.3
211.06062	24.5
221.11555	2.9
237.14919	2.7
273.14954	5.2
287.16376	5.5
301.14328	9.0
305.17621	7.4
323.18542	27.0
341.19653	7.1
398.52667	2.7
569.30328	8.2
587.32300	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	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01870	1.9
55.05518	1.5
58.99574	1.9
65.03941	4.7
69.03432	2.2
70.06572	1.3
71.48727	1.8
75.04478	4.3
78.04741	1.9
79.05490	2.9
81.03387	1.8
82.28091	1.2
85.02904	7.9
86.99024	1.9
89.03922	2.1
91.05484	11.4
93.03414	12.7
93.07031	7.1
95.04983	4.3
97.02888	2.6
97.06532	2.8
103.05473	7.5
105.04577	1.8
105.07042	5.8
106.04177	30.0
107.04964	1.7
109.06518	1.5
116.01700	7.1
117.03386	2.0
119.04950	2.2
120.08131	2.0
121.05675	2.2
121.06498	31.6
123.04430	1.4
125.05998	8.7
126.68548	1.1
131.04932	3.7
133.02870	6.2
133.06503	4.4
134.03629	3.9
135.04424	1.8
137.05937	6.8
139.07536	2.7
144.01144	2.5
145.02856	2.5
147.04419	1.7
148.05223	3.0
149.04794	2.7
149.05984	49.2
150.06683	1.3
151.03920	2.2
151.07516	3.8
153.05441	1.7
153.09090	12.1
161.05997	11.0
162.02223	5.7
163.07529	3.4
165.05533	2.2
167.07039	1.9
177.05495	22.8
179.07112	1.7
181.08580	20.2
191.07050	13.3
193.08592	8.7
209.08096	100.0
210.08488	1.3
227.12616	1.6
228.85120	1.1
229.28926	1.2
231.14984	1.3
234.13829	1.3
300.17252	1.3
303.52966	1.2
391.15536	3.2
391.61566	1.7
400.68848	1.4
510.98355	1.4
586.20789	4.2
607.49719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03936	6.4
55.01870	6.9
55.05272	2.9
55.05515	40.5
57.03421	3.1
57.07074	13.1
59.05004	1.9
61.82536	1.7
67.05506	47.6
67.08606	1.7
67.19984	2.0
69.03423	4.3
69.06731	2.9
69.07075	39.3
70.09448	2.7
70.09740	9.3
71.04983	2.9
71.08628	2.7
72.90134	1.9
79.05496	47.6
81.03425	3.9
81.07059	69.4
81.07535	3.5
83.04986	9.0
83.08623	22.3
85.06531	5.5
89.06047	3.2
91.05486	64.0
92.05810	2.0
93.07047	67.6
95.01355	3.9
95.04981	18.3
95.08611	49.5
97.06544	11.3
97.10172	8.7
98.20839	2.8
103.05463	3.5
105.07043	82.4
106.07329	4.3
107.04945	9.4
107.08600	60.5
109.06530	13.3
109.10167	29.0
111.08091	2.4
115.05454	4.2
117.07030	26.3
119.08588	100.0
120.08881	4.0
121.06540	3.1
121.10155	43.1
123.04443	2.0
123.08086	12.0
123.11712	7.6
125.05968	3.1
125.09644	6.4
128.06248	6.8
129.07036	11.7
130.07782	7.8
131.08577	39.2
133.08626	2.3
133.10133	58.4
134.10516	3.9
135.08066	9.2
135.11690	24.3
137.09692	11.8
139.11206	2.3
141.07004	7.1
142.07808	12.7
143.08574	28.6
144.09256	6.5
145.06497	5.3
145.10144	65.1
146.10526	4.4
147.08072	7.6
147.11691	26.2
148.12000	2.0
149.09627	8.4
149.13240	5.7
151.07565	8.1
151.11237	3.1
155.08540	13.4
156.09354	11.3
157.10136	38.3
158.10687	7.9
159.08101	4.5
159.11703	38.5
160.12154	2.3
161.09596	6.9
161.13319	9.1
161.70299	1.8
163.11186	11.6
163.14844	2.5
165.09164	10.6
167.08475	6.0
168.09315	4.5
169.10139	15.6
170.10793	5.8
171.11684	25.3
172.12350	5.1
173.09700	3.9
173.13290	22.0
175.11172	5.5
175.14847	24.1
177.12758	3.4
179.08607	4.4
179.14328	4.1
180.09270	3.9
181.10123	11.2
181.12221	5.1
182.10841	7.3
183.11700	17.7
184.12395	4.4
185.09634	2.8
185.13243	14.7
186.13905	2.4
187.11189	4.3
187.14844	7.8
189.12720	4.6
191.10806	2.7
191.14311	3.3
193.10126	4.6
194.10834	3.9
194.12535	2.0
195.11682	9.6
196.12457	3.9
197.13211	13.1
198.13669	2.1
199.11076	3.5
199.14772	6.3
201.12814	2.6
201.16382	7.8
203.14320	6.7
205.15907	2.8
206.11014	2.0
207.11722	6.5
207.13655	3.3
208.12291	4.0
208.14308	2.3
209.13260	11.1
209.15129	2.6
210.13831	3.1
211.14827	12.8
213.12840	3.2
213.16393	4.9
215.14278	2.5
219.13844	2.4
219.17392	6.2
221.13252	6.7
221.15393	18.3
222.13762	2.8
222.15768	5.1
223.14861	5.1
225.16422	5.3
232.31656	2.1
235.14740	4.0
237.16353	4.8
239.17957	5.3
247.14839	2.9
247.17046	2.7
251.17873	2.5
253.19566	3.0
257.18991	6.9
259.20563	3.5
265.19485	3.4
273.18610	3.6
275.17407	2.5
275.20148	36.1
283.20438	4.0
285.22205	4.9
293.21136	6.8
299.20111	2.5
301.21432	3.1
312.20889	2.9
333.25836	2.3
351.26801	6.2
352.23898	8.2
353.24438	13.3
379.26462	2.7
439.31738	4.2
493.35678	2.7
504.36047	3.3
505.36325	22.1
549.39056	3.0
549.76001	2.0
567.41071	8.9
585.43964	46.5
585.55902	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01864	9.0
55.05512	36.2
55.52593	2.4
55.53603	2.5
57.07080	13.3
65.46482	2.8
67.05507	49.5
69.03440	6.2
69.07073	41.5
71.04990	3.8
71.08627	8.3
71.09270	2.7
79.05066	4.6
79.05494	53.9
81.03410	4.0
81.07056	67.2
83.04966	7.3
83.08623	29.1
83.37739	2.4
85.06544	6.8
89.06015	4.1
91.05478	63.7
92.05805	2.4
93.07044	75.3
95.04965	19.3
95.08607	60.8
97.06549	13.5
97.10168	9.1
97.44466	2.1
101.68579	2.4
103.05469	4.3
103.79514	2.5
105.07042	83.4
107.04947	8.8
107.08592	59.5
109.06521	11.8
109.10161	28.3
111.08092	6.1
115.05476	5.9
117.07024	27.1
119.08586	100.0
120.08951	3.7
121.06509	6.3
121.10144	44.6
123.08057	9.4
123.11690	10.0
125.09631	5.9
128.06235	6.3
128.29195	2.7
129.07021	14.5
130.07793	7.4
131.08575	40.5
133.06509	3.6
133.10146	67.4
135.08061	9.9
135.11700	26.2
137.09599	4.7
139.11156	4.0
141.07030	6.7
142.07831	13.8
143.08566	25.5
144.09236	4.4
145.10132	64.1
146.10490	4.9
147.08034	10.0
147.11696	25.8
147.45091	3.0
149.09579	15.4
149.13275	3.5
151.07535	9.0
155.08588	13.6
156.09328	9.5
157.10129	36.1
158.10690	6.1
159.08090	3.1
159.11708	41.6
160.12239	3.1
161.09630	6.5
161.13315	12.1
162.57172	2.8
163.11172	14.4
165.09126	10.6
165.12746	3.9
167.08563	5.8
168.09229	2.9
169.10136	23.7
170.10898	8.6
171.11690	22.7
172.12256	4.4
173.09648	4.0
173.13220	21.8
175.11182	6.8
175.14861	22.6
177.12793	7.3
178.07814	3.3
179.08516	4.7
179.14383	8.1
180.09052	4.0
181.10092	5.5
181.12268	5.5
182.10927	4.5
183.11707	21.1
184.12268	4.5
185.13254	16.0
186.13737	3.5
187.11232	2.9
187.14818	12.3
190.13316	2.9
191.14284	4.8
193.10179	5.2
193.12163	2.4
194.10831	3.6
195.11711	13.9
195.15565	2.4
196.12314	5.3
197.13339	14.7
198.13818	2.8
199.14774	5.4
200.11565	2.8
201.16405	7.7
203.14380	5.9
205.12209	3.3
206.10873	4.1
207.11810	5.2
207.13753	4.7
209.13251	13.0
210.13657	4.1
211.14772	12.6
212.15225	4.1
213.16266	3.2
219.17435	5.2
221.13324	5.1
221.15364	17.7
222.13823	3.6
222.15770	5.7
223.14787	8.5
224.15475	3.9
225.16400	4.6
233.13231	3.4
235.14737	7.0
237.16302	5.8
237.22095	3.7
239.17963	3.7
241.19472	4.9
247.14711	3.1
247.16966	4.1
251.17946	4.6
257.18982	9.1
259.20786	4.0
260.99435	2.5
261.16412	3.5
265.19418	2.8
269.78915	3.1
273.18655	5.0
275.17404	3.9
275.20132	47.9
285.22141	5.5
287.20224	3.7
293.21198	8.0
300.20453	2.8
325.21606	3.4
351.26517	6.8
352.23920	7.5
353.24393	12.1
405.31238	3.2
413.29724	2.6
439.31778	4.3
492.35785	3.6
493.35480	4.1
505.36343	26.6
567.40790	11.6
585.43665	48.5
585.56439	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
55.01878	14.9
55.05271	3.7
55.05513	34.8
56.32989	2.4
57.03418	3.7
65.03939	3.2
67.05507	48.2
69.07066	22.4
71.22401	5.4
73.18021	2.5
76.44112	2.3
79.05077	4.2
79.05494	48.4
80.48663	2.9
81.03424	12.9
81.07062	48.3
83.04973	11.5
83.08627	25.4
85.06537	3.4
91.05486	49.3
91.25371	2.5
93.07053	43.3
95.04974	43.0
95.08616	34.4
97.06551	15.1
97.10162	10.4
105.04533	2.5
105.07039	53.2
107.04952	21.9
107.08599	35.5
109.06515	10.6
109.10161	16.0
111.08071	6.3
115.05466	2.6
117.07042	15.2
119.08585	39.9
119.80280	2.9
120.08961	4.0
121.06497	6.4
121.10121	22.3
123.08072	8.2
123.11668	3.2
125.09611	9.4
129.07005	5.7
130.97310	2.5
131.08565	22.8
133.10139	31.9
135.08040	8.5
135.11694	10.2
137.09605	5.1
143.08595	4.5
145.10133	23.1
147.08054	4.4
147.11661	16.2
149.09604	31.5
149.13264	4.2
151.11192	3.1
155.03123	2.8
155.08551	5.8
157.10027	4.4
159.11708	13.2
159.12907	2.4
161.09674	4.6
161.13225	4.5
163.11180	26.4
165.09062	5.9
165.12846	3.8
166.09412	2.6
169.10141	7.3
171.11655	6.5
173.09666	4.5
173.13239	6.2
177.12711	4.0
179.14316	6.3
183.11560	6.4
187.11154	3.3
189.11263	5.5
191.14084	2.8
193.12146	4.4
197.13255	6.5
203.14378	2.7
205.10182	2.6
219.17435	33.5
221.15334	7.4
222.15694	4.7
223.13313	25.4
223.15355	4.1
229.19632	3.4
239.17909	6.8
257.19012	14.0
275.20084	100.0
293.21109	35.2
308.77765	2.7
438.66669	3.0
473.71277	2.7
486.99335	2.8
557.64240	3.0
585.41797	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	585.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01876	6.2
55.05239	1.2
55.05512	24.8
56.23816	1.0
57.03442	3.1
57.07078	4.8
65.03933	2.6
67.05508	37.9
69.03429	2.0
69.07071	17.5
69.57782	1.1
71.04995	4.7
71.08645	1.6
71.10282	1.5
71.10601	1.6
77.03900	1.1
79.05016	1.7
79.05493	43.7
81.03450	6.1
81.07057	98.3
82.07414	1.8
83.04984	6.6
83.08622	14.9
85.06528	2.3
91.04909	1.8
91.05480	37.8
93.07048	33.7
94.07381	1.3
95.04977	14.0
95.08607	29.8
97.06535	8.3
97.10167	4.8
99.08097	2.1
103.05466	1.3
105.06310	2.2
105.07034	42.2
106.07365	3.3
107.04958	12.5
107.08601	23.3
108.08900	1.5
109.06518	38.9
109.10152	10.8
111.08096	5.2
117.07025	13.4
119.08585	36.2
120.08878	2.8
121.06520	6.0
121.10150	19.9
122.10442	1.3
123.08056	8.7
123.11733	6.1
125.09665	3.0
128.06256	1.2
129.07039	7.5
130.07732	1.5
131.08575	22.1
132.08994	1.3
133.06491	2.2
133.10129	24.7
134.10437	2.7
135.08022	6.0
135.11725	7.9
136.12029	1.2
137.09613	4.4
137.13231	1.0
139.11191	1.2
141.07021	2.0
142.07784	2.3
142.34448	1.4
143.08586	8.3
144.09203	1.5
145.10126	21.9
146.10464	3.1
147.08044	3.1
147.11678	18.7
148.08463	1.2
149.09605	11.1
149.13257	10.2
151.11185	3.0
153.06985	1.3
155.08560	3.9
156.09299	1.4
157.10158	10.2
158.10658	1.9
159.08098	1.7
159.11691	13.7
160.12096	1.7
161.09657	2.8
161.13281	6.1
162.27126	1.4
163.11182	11.9
163.14853	4.6
165.09007	1.6
165.12753	5.1
169.10112	4.5
171.11731	5.2
173.09660	1.7
173.13252	7.2
175.11206	3.9
175.14806	2.6
176.15199	1.3
177.12798	2.6
179.14394	1.4
183.11716	5.1
184.12294	1.6
185.13261	4.0
187.11366	1.3
187.14842	3.9
189.11261	1.2
191.14296	1.9
193.12274	4.8
195.11490	1.1
197.13242	3.7
199.14879	2.1
201.12793	1.7
207.13771	1.7
209.13310	2.6
211.14844	1.7
215.14230	2.0
215.18057	2.4
219.13823	1.8
219.17519	2.4
221.13300	2.4
229.19514	4.7
233.15327	1.8
239.17998	4.2
247.20576	8.6
257.18954	9.5
259.20587	2.0
268.10947	1.3
275.20068	100.0
276.20520	1.5
291.19479	3.0
293.21149	15.0
300.29001	1.4
301.29501	1.4
311.29401	2.7
327.45422	1.4
439.32047	1.5
460.23907	1.2
549.39410	2.3
567.40295	5.4
584.56537	2.6
585.42419	10.9
585.55994	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	585.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78952	1.7
53.03951	7.5
55.01876	9.1
55.05514	45.2
57.03429	2.4
57.07077	3.2
58.43344	1.5
64.75644	1.5
65.03927	2.1
67.05508	34.2
69.05424	1.4
69.07073	21.8
70.10708	4.9
70.11132	2.9
71.08638	2.3
72.76772	1.3
77.56659	1.5
79.05495	34.9
81.03424	8.0
81.07056	46.5
83.04977	7.2
83.08623	33.5
85.06549	2.5
91.05479	38.5
93.07052	36.4
95.04975	26.3
95.08611	31.0
97.06526	9.5
97.10188	8.4
105.07043	34.1
107.04964	14.1
107.08604	22.5
109.06520	12.1
109.10152	13.2
111.08043	8.2
115.05441	2.1
117.07012	10.5
119.08590	29.2
120.08837	1.4
121.06522	6.5
121.10143	18.6
123.08071	6.9
123.11755	4.3
125.09644	8.7
128.06241	1.6
129.07040	5.3
131.08569	16.7
133.06514	2.2
133.10149	22.9
135.08041	10.1
135.11682	10.0
137.09605	4.4
141.07001	2.6
143.08559	6.5
145.10112	24.1
147.08080	3.1
147.11703	16.2
149.09618	23.4
149.13266	2.6
151.11200	4.3
155.08542	3.8
157.10172	7.0
159.08037	2.0
159.11703	16.3
161.09647	2.5
161.13293	6.2
163.11208	27.6
165.12753	6.2
169.10158	3.4
171.11705	5.2
173.09663	4.1
173.13258	4.7
175.11171	4.1
175.14795	3.2
177.12769	4.2
179.14395	1.7
183.11707	3.6
187.11230	1.8
187.14871	3.0
189.11148	3.7
191.10703	1.7
191.14351	2.9
195.11774	1.9
197.13277	4.4
199.14854	1.8
201.12773	3.0
215.14374	2.0
223.13261	10.2
229.19531	6.6
239.17998	9.8
247.20605	5.0
257.19000	13.0
273.18481	3.3
275.20096	100.0
293.21121	34.4
358.93808	1.5
389.85172	1.5
439.32098	2.7
457.33215	2.3
531.27313	1.5
549.39264	2.9
567.40399	9.0
585.42816	11.7
585.56329	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	585.4149
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
53.03944	9.9
53.22114	2.9
55.01870	13.5
55.05281	2.9
55.05513	78.1
57.07076	8.2
59.05011	3.1
59.58549	3.5
67.05508	56.8
69.03452	6.4
69.07076	38.1
69.15970	30.3
79.05496	73.3
81.03458	3.7
81.07063	100.0
83.04989	12.5
83.08627	42.1
85.06538	4.9
89.06025	3.9
91.05486	46.7
93.07058	59.4
95.04981	9.5
95.08055	6.1
95.08613	49.7
97.06538	7.8
97.10182	45.6
98.21542	5.6
102.54211	3.3
105.07031	45.0
107.04961	9.5
107.08604	55.3
109.02899	5.7
109.06525	21.0
109.10148	23.9
111.08132	7.1
115.05431	4.9
117.07013	22.6
119.08588	38.8
121.06526	7.3
121.10136	22.6
123.04483	3.6
123.08075	9.8
123.11692	5.7
125.09643	33.3
129.07034	12.9
131.08580	30.8
133.06516	7.3
133.10127	34.4
135.08078	13.8
135.11707	26.8
137.09673	5.1
141.06966	4.8
143.08563	16.4
145.06516	10.7
145.10133	33.8
147.08044	10.7
147.11679	22.4
149.09651	6.8
149.13300	9.8
153.09077	4.5
155.08604	8.6
157.10110	16.6
159.08109	8.4
159.11777	20.2
161.09630	10.6
161.13316	7.9
163.07571	3.9
163.11200	7.4
163.14874	6.3
167.08531	3.7
169.10143	8.5
171.11699	10.6
173.13327	13.7
175.11177	8.4
175.14874	4.6
177.12787	3.4
181.10150	5.7
183.11717	7.0
185.09760	3.4
185.13258	8.6
187.11211	4.7
187.14853	9.3
189.11267	19.6
189.12747	5.0
193.12231	8.5
197.13251	6.3
199.11218	4.5
199.14876	5.3
201.12721	4.7
209.13249	3.4
211.14719	4.3
213.12732	3.5
221.13327	3.1
221.15305	4.6
243.21165	3.7
253.15909	4.1
259.20520	8.5
261.19220	4.5
261.22131	32.0
271.17078	3.5
273.18750	6.5
275.20117	11.3
277.21564	16.0
279.23203	3.9
285.22049	3.5
287.23752	4.0
289.17944	18.2
289.20996	3.0
291.19641	15.7
306.64444	3.4
307.19092	8.5
313.21420	7.3
331.22687	11.5
339.23407	3.6
379.29953	6.2
381.28052	3.8
397.31152	24.5
415.32129	10.3
439.32144	5.2
457.33319	6.9
459.34659	5.2
531.38324	12.7
549.39319	18.9
567.40485	50.0
585.41364	44.1
585.56378	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	585.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05700	1.5
51.12776	1.7
53.03941	6.6
54.44764	1.6
55.01877	9.3
55.05275	2.3
55.05517	33.0
55.32199	1.8
57.03438	2.8
57.07064	7.6
67.05183	2.8
67.05512	39.6
69.03467	2.3
69.07079	20.9
71.04971	4.5
71.08619	3.6
77.03912	2.2
79.05072	3.0
79.05502	37.6
80.05886	2.4
81.03425	9.6
81.06593	3.5
81.07063	53.0
82.07372	2.6
83.05010	9.4
83.08625	28.1
85.06552	2.3
85.10172	3.9
89.06024	6.5
91.05491	41.8
93.07056	40.6
95.04980	27.4
95.08615	30.4
96.08287	2.3
96.08921	2.0
97.06539	8.4
97.10162	5.2
98.20806	4.9
105.07040	46.7
106.07336	3.8
107.04954	15.4
107.08601	30.3
108.08928	1.7
109.06525	15.4
109.10170	21.9
111.08093	5.7
113.09673	3.5
115.05517	1.7
117.07029	20.8
119.08596	50.3
120.08910	3.8
121.06548	10.2
121.10151	22.2
123.08060	8.5
123.11730	4.0
125.09631	6.5
129.07010	7.1
131.08588	25.5
133.06511	4.0
133.08594	2.4
133.10144	33.4
135.08044	7.4
135.11739	12.3
137.09619	6.5
139.11171	2.5
141.06998	4.7
142.07785	2.5
143.08600	10.4
144.09131	2.9
145.06471	2.6
145.10141	30.1
146.10484	6.1
147.08025	7.1
147.11699	22.1
149.09630	18.7
149.13278	3.2
151.11223	3.9
155.08542	8.5
157.10164	12.7
158.10556	2.4
159.08087	3.8
159.11729	18.2
161.09657	4.9
161.13211	8.8
163.11218	28.3
165.09224	2.4
165.12761	7.1
167.08543	2.4
169.10121	8.4
170.10623	2.2
171.11690	12.2
172.12103	1.9
173.09637	6.7
173.13228	6.8
174.13612	2.2
175.11188	6.5
175.14835	6.1
177.12750	5.8
181.10098	2.5
183.11714	6.0
185.09636	2.4
185.13220	5.1
187.11133	4.2
187.14847	2.6
189.12759	3.9
191.14369	2.5
192.11790	2.0
194.29543	1.8
195.11760	3.1
197.13295	5.3
199.14787	2.7
203.14281	2.2
209.13293	3.1
211.14761	3.3
215.14314	2.7
219.13780	2.4
219.17497	2.0
223.13220	11.6
225.16719	1.9
229.19588	2.7
239.17973	7.9
247.20615	4.1
255.17581	2.1
257.19104	15.2
273.18567	3.9
275.20099	100.0
277.21555	3.0
289.17978	5.4
291.19559	3.5
293.21167	54.1
372.48291	2.0
382.38287	2.1
411.02933	2.0
500.88626	2.3
549.39337	3.9
567.40454	8.7
585.41675	21.5
585.56488	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	585.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01875	7.7
55.05515	32.2
57.03437	1.7
57.07069	7.0
57.12431	1.3
61.75365	1.7
65.03944	2.2
65.44727	1.5
67.05509	34.3
69.07076	25.7
69.35064	1.5
70.06532	1.8
71.04996	3.5
71.08623	3.8
71.33366	3.1
71.33697	2.3
78.04692	1.9
79.05499	28.2
80.31737	1.5
81.03412	5.1
81.07059	39.9
83.04980	5.7
83.08622	22.7
85.06570	2.0
89.05993	2.4
91.05488	43.1
93.07050	33.8
95.04981	18.4
95.08610	29.2
97.06538	7.8
97.10157	7.8
105.07040	44.5
107.04959	9.0
107.08595	25.6
109.06516	7.0
109.10159	14.2
111.08102	5.3
112.02575	1.6
113.09702	2.2
115.05470	2.2
117.07027	14.3
119.08596	32.6
121.06524	6.7
121.10139	16.5
123.08066	5.5
123.11696	5.5
125.09640	5.9
128.06232	2.3
129.07002	6.4
131.08560	19.9
133.06519	2.6
133.08609	2.2
133.10135	30.3
135.08090	6.7
135.11705	7.2
137.09619	4.5
141.06975	1.9
143.08569	6.6
145.10147	21.9
146.26360	1.7
147.08058	2.9
147.11685	14.8
149.09608	16.9
149.13257	4.4
151.11203	4.8
155.08548	3.9
157.10098	6.6
159.11717	12.6
161.09691	1.7
161.13284	4.6
163.11189	13.5
165.12781	5.3
168.45509	1.6
169.10165	4.9
171.11696	5.8
173.09598	3.5
173.13257	6.0
175.11235	3.2
175.14787	1.8
177.12794	5.6
183.11694	3.6
185.13315	2.5
187.11177	1.8
189.11180	2.0
197.13268	4.3
202.03616	1.6
205.12308	2.1
210.14098	2.2
211.14806	2.8
211.48070	1.7
215.14427	2.5
223.13252	6.5
229.19576	3.4
233.19067	1.9
239.17963	9.7
247.20612	4.3
257.19003	12.4
273.18521	4.1
275.20068	100.0
293.21109	20.6
311.29462	2.7
470.62778	1.8
567.40533	4.3
585.44373	15.4
585.56232	7.8
589.58362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
51.74065	1.0
53.03944	5.3
55.01879	7.5
55.02105	1.3
55.05514	23.5
55.43412	0.8
57.03424	3.1
57.07065	4.2
65.03928	3.1
67.05509	41.7
68.05782	1.1
69.03420	2.9
69.07072	15.7
70.07384	1.5
71.04982	3.0
71.08628	1.9
71.48823	1.0
71.49198	1.6
75.16456	0.8
77.03922	1.0
79.05495	43.8
80.05816	1.2
81.03422	5.6
81.07059	93.6
82.07406	1.5
83.04987	6.6
83.08157	1.3
83.08624	17.1
83.73694	1.1
85.06523	2.5
86.44640	1.0
90.98410	0.8
91.05484	39.7
92.05812	1.5
93.07048	34.4
94.07356	1.5
95.04968	18.0
95.08616	26.9
97.06532	9.9
97.10157	3.6
99.08088	1.8
103.05451	2.2
105.04523	1.7
105.07034	41.2
106.07355	2.9
107.04964	12.0
107.08596	23.8
108.08903	1.2
109.06521	37.5
109.10163	11.7
110.10492	1.1
111.08096	4.9
115.05421	1.6
116.06223	0.9
117.07030	12.9
119.08589	39.2
119.59973	0.9
120.08898	3.7
121.06499	6.8
121.09334	1.4
121.10153	18.3
121.10992	0.7
122.10509	1.7
123.08069	7.7
123.11730	3.6
125.09640	3.2
125.10488	0.9
128.06241	2.3
129.07022	5.7
130.07625	0.9
131.08565	18.2
132.08881	1.6
133.06490	2.0
133.10135	26.8
134.10495	1.6
135.08057	7.5
135.11703	9.9
137.09573	4.7
137.13243	1.0
139.11218	1.5
141.07014	2.3
142.07732	2.9
142.18350	1.0
143.08598	7.5
144.09235	0.9
145.06500	1.8
145.10121	22.9
146.10492	3.9
147.08031	3.8
147.11688	18.8
149.09628	11.2
149.13281	9.4
151.07555	1.6
151.11148	3.5
155.08588	4.6
156.09377	1.9
157.10149	10.4
158.10521	2.0
159.08049	2.1
159.11710	11.9
161.09593	3.8
161.13281	5.6
163.11197	11.9
163.14830	5.0
165.09134	2.3
165.12762	5.3
167.08597	1.2
167.10759	0.9
169.10118	5.1
171.11699	6.4
172.12280	1.1
173.09598	3.1
173.13258	8.1
174.13556	1.0
175.09119	0.8
175.09669	0.7
175.11108	4.8
175.14836	2.6
177.12737	3.0
179.14334	1.2
181.10017	1.2
182.10614	1.5
183.11708	4.4
184.12149	1.4
185.13206	3.4
187.11179	2.2
187.14862	3.5
187.26744	1.1
189.12743	2.1
191.14304	2.3
193.10344	1.2
193.12253	5.6
194.10861	1.0
195.11606	2.5
196.11961	1.4
197.13174	4.8
198.13678	1.7
199.14767	2.4
201.12740	1.8
201.16351	1.4
206.10983	1.4
207.11624	1.3
207.13766	1.4
208.12314	1.5
209.13246	2.3
211.14801	2.0
215.14366	1.1
217.15868	1.4
219.13799	1.4
219.17340	1.1
221.15378	1.2
222.15694	1.1
223.13248	1.4
224.15388	1.5
229.19495	6.3
233.12971	1.1
239.17935	5.1
247.20595	7.6
257.19031	11.4
259.20642	1.5
273.18634	1.3
275.20078	100.0
276.20532	1.9
293.21133	16.5
311.29266	1.1
348.86331	1.0
509.77753	0.9
549.39044	2.8
567.40509	3.9
585.41956	12.2
585.55383	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	585.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01870	0.9
57.03436	0.7
62.60571	0.7
65.03680	0.6
65.03947	8.2
67.05504	1.4
69.03389	0.7
70.74675	1.6
71.01405	0.7
79.05485	1.9
81.07049	0.7
82.04211	1.0
85.02876	0.8
86.09743	0.7
91.05471	1.4
93.03404	5.1
94.04197	0.6
95.01344	1.3
95.04958	2.6
97.06528	1.5
103.05459	1.2
105.07016	2.1
107.04979	4.6
107.05603	0.9
107.68423	0.6
108.02061	1.1
109.02901	0.7
110.03656	6.0
111.04457	7.2
119.04916	1.0
120.19305	0.7
121.02881	6.2
121.06503	2.1
123.04456	0.9
125.05996	9.5
129.06960	1.0
131.04945	1.9
133.02838	0.8
133.06505	2.0
135.04420	2.4
137.05983	5.8
138.03142	0.9
145.02896	0.6
145.10127	1.2
146.10442	0.7
147.04401	1.0
149.02338	2.4
149.05975	1.1
151.03914	25.1
151.05003	1.8
151.07547	2.2
153.05476	15.6
155.08594	0.9
157.06441	0.9
158.07280	1.1
159.07970	1.5
161.05974	3.0
161.09651	2.1
161.80658	0.6
163.03912	3.3
163.07497	0.7
165.05547	1.1
165.07007	1.8
167.07063	9.0
167.08458	1.2
168.07393	1.6
173.09610	2.9
174.09941	1.5
175.07570	2.8
177.05511	1.6
179.07095	1.2
179.08502	1.1
181.05002	4.0
181.06459	1.3
181.08540	4.1
182.07382	0.8
182.08934	1.4
183.08144	0.7
184.05202	1.4
188.08212	0.9
189.09129	1.9
191.07040	1.2
191.08630	0.9
193.06607	0.7
195.06619	1.6
195.08101	2.4
195.09967	0.7
196.08659	0.7
197.05959	0.9
201.09064	3.6
202.09439	2.6
205.09038	0.7
207.08113	1.5
209.06078	0.9
209.09761	0.7
210.06784	2.4
211.07582	1.6
212.08440	1.0
213.09059	0.8
215.08409	0.8
219.10193	1.2
221.09578	1.7
223.07545	2.2
223.11200	1.0
224.08339	0.9
225.09123	2.8
227.07031	1.5
227.10716	1.3
233.11752	2.6
234.12062	2.2
235.07623	1.5
237.05641	0.7
237.09055	3.3
238.06238	2.0
238.09901	2.1
239.06958	2.2
239.10811	0.9
240.07794	7.1
241.08597	1.6
249.05309	1.1
249.09315	1.5
251.06920	1.8
251.10722	1.0
252.07838	2.6
253.08612	14.3
253.12291	5.3
254.09436	2.6
255.06604	0.9
255.10175	3.5
257.08057	2.1
263.07166	1.3
265.08664	1.6
266.09402	2.8
267.06863	0.9
267.10184	3.6
268.07257	1.7
269.08051	3.5
270.08859	2.8
271.13712	0.8
277.08533	0.9
279.10263	1.1
281.08115	4.4
281.11481	4.9
282.08817	1.9
282.12100	0.8
283.06415	1.2
283.09610	7.0
284.10455	2.7
285.08075	0.8
285.11252	3.1
285.14780	1.8
293.16333	0.7
294.08792	1.5
295.09720	3.8
296.10376	1.3
297.11176	1.3
298.11902	2.1
299.12769	5.5
300.09979	1.4
303.05087	1.1
303.15802	1.1
309.11246	6.1
310.12003	1.8
311.09280	0.8
311.12848	1.4
313.10724	8.8
313.14346	3.5
327.12283	27.1
328.13046	1.8
329.14130	0.8
331.15411	1.6
339.12512	1.2
341.13867	4.4
343.15555	0.9
353.13724	1.1
357.13397	1.2
359.14896	100.0
360.15265	2.1
361.16702	0.9
371.14899	4.5
372.15546	0.9
387.18243	1.3
388.18372	1.6
400.21396	0.7
585.15234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31646	0.9
50.90184	0.8
53.03944	3.7
67.05501	2.3
69.03424	3.3
70.74532	2.5
77.03912	1.1
78.08691	0.9
79.05512	5.0
81.03426	3.6
81.07082	1.2
83.04961	1.2
85.02921	1.2
91.05492	2.5
92.66612	0.8
93.07047	2.7
95.04977	54.1
97.02895	7.0
103.05470	3.0
105.04530	1.1
107.04963	35.0
109.02891	19.5
109.06514	1.4
116.50030	1.0
119.04987	1.6
121.06511	5.5
123.04430	15.3
124.78279	0.8
125.02352	17.2
125.06002	2.0
127.03907	2.0
131.04965	1.7
131.57124	0.8
133.02881	1.5
135.04427	2.2
147.04382	1.5
149.05978	11.1
149.60257	0.8
151.03911	100.0
153.05472	6.3
159.04428	1.0
167.07050	1.1
175.03900	1.3
177.05484	19.2
186.83592	0.9
193.04987	5.5
193.06482	0.9
195.06561	37.0
208.43349	0.8
211.06032	21.9
213.07576	8.2
214.53915	0.8
229.07095	4.9
309.64441	0.9
321.09647	1.3
339.10858	1.9
529.19623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
60.04728	1.5
61.06802	1.2
67.05506	3.1
67.38525	1.3
69.03421	4.2
69.57021	8.2
71.01351	1.8
79.05499	7.5
81.03418	3.1
85.02922	1.8
91.05492	2.2
93.07035	2.9
95.04980	52.5
97.02906	7.5
103.05497	3.6
105.29089	1.2
107.04961	35.2
107.05640	2.4
109.02888	24.0
109.06519	1.5
119.04963	1.2
121.06537	6.6
123.04440	13.4
125.02374	18.5
125.06012	1.8
129.80038	1.5
131.04932	1.6
135.04442	2.1
140.29053	1.4
147.04468	1.5
149.06012	9.6
151.03918	100.0
153.05519	6.1
159.04401	2.6
177.05492	20.6
193.05048	6.1
194.55232	1.2
195.06540	42.5
211.06044	19.3
213.07600	6.8
229.07069	4.8
261.67865	1.3
339.10751	2.3
357.11728	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	585.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01886	1.0
56.91883	0.8
67.05508	1.7
67.19681	0.9
68.82235	0.9
69.03419	2.5
71.49282	1.4
77.03925	0.9
79.05515	5.1
81.03405	3.2
81.07066	1.7
91.05494	2.5
93.07040	2.6
95.04971	51.5
97.02888	7.0
103.05442	2.1
105.04474	1.0
107.04961	30.4
109.02886	18.9
119.04937	1.4
121.06528	5.2
123.04433	13.7
125.02358	17.2
125.06004	3.4
127.03927	1.3
131.04959	2.2
133.02927	1.2
135.04430	2.7
147.04408	1.3
149.06004	9.1
151.03908	100.0
153.05475	5.2
159.04398	1.8
163.03932	0.9
164.71411	0.9
167.07001	1.1
175.03943	1.2
177.05476	20.4
177.06900	1.6
193.04984	4.3
195.04762	1.7
195.06538	35.3
211.06017	20.4
213.07573	9.6
229.06984	5.6
336.52670	0.9
357.11728	2.0
532.57245	0.9
571.10681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05516	13.7
57.07066	9.6
62.95765	2.8
64.74957	2.6
67.05511	17.4
69.03438	6.5
69.07065	9.0
69.54691	18.8
79.05505	23.0
81.07063	22.9
83.04971	5.4
83.08644	5.6
85.06535	8.7
89.06027	5.0
91.05494	41.1
93.07063	45.7
95.04958	11.3
95.08616	28.6
97.06525	6.1
105.07044	62.1
107.04999	4.1
107.07952	4.8
107.08598	36.8
109.06522	11.8
109.10154	18.3
111.08068	3.9
115.05429	3.1
117.07018	15.9
119.08589	77.8
120.09407	4.2
121.06514	5.9
121.10160	29.8
121.57603	2.7
123.08067	13.5
123.11654	4.3
128.06250	8.1
129.06987	13.3
130.07819	3.0
131.08591	37.0
132.09404	4.4
133.06532	3.6
133.08588	4.2
133.10138	40.3
135.08055	11.6
135.11673	11.6
137.09628	10.1
141.06981	7.3
142.07762	15.7
143.08578	33.7
144.09293	11.2
145.06482	4.2
145.10141	57.7
146.10617	3.9
147.08038	17.7
147.11723	17.8
149.09592	9.4
149.13232	3.9
149.21510	2.8
151.07547	5.8
155.08577	16.9
156.09383	16.9
157.10143	53.8
158.10895	8.1
159.08176	2.9
159.11745	27.3
160.08807	10.5
161.09657	10.5
161.13306	7.3
163.11177	11.3
165.09135	27.2
167.08524	7.9
168.09288	3.7
169.10178	19.8
170.10899	6.7
171.11707	29.7
172.12437	10.1
173.09639	6.6
173.13307	22.8
175.11205	11.4
175.14796	8.4
179.08554	4.7
180.09329	4.9
181.10100	10.9
181.12279	9.2
182.10924	6.9
183.11726	21.5
184.12207	5.3
185.13260	13.2
187.14816	8.2
189.12833	4.3
190.13609	7.6
193.10159	10.8
193.12283	10.6
194.10883	8.1
195.11726	18.5
196.12479	6.0
197.09581	6.2
197.13240	17.2
198.13963	4.1
199.11148	5.6
199.14824	5.0
201.12758	7.4
203.14314	13.2
207.11720	12.6
207.13893	10.7
208.12488	4.8
208.14500	5.7
209.13306	14.8
211.11272	4.9
211.14827	12.0
212.15518	3.4
213.12784	3.2
213.16324	3.6
219.11700	3.3
220.12454	3.3
221.13278	8.7
221.15363	53.3
222.15765	5.9
223.14854	11.6
225.12762	3.7
225.16487	4.5
234.16182	9.0
235.14774	7.9
237.12740	7.0
237.16415	5.3
247.16943	10.9
249.16396	3.9
263.18152	3.4
266.28986	3.0
269.26947	3.1
271.17114	4.6
286.19040	4.1
293.19153	3.1
299.20074	10.7
311.20102	3.8
325.21692	8.3
337.21619	8.8
352.20468	2.8
352.23990	77.2
365.24628	9.1
371.22537	3.2
378.25653	6.0
391.26270	5.4
398.28146	4.0
404.30585	7.9
412.29898	20.4
438.31171	13.8
489.33270	4.7
491.35159	13.7
492.35608	10.5
504.36057	100.0
522.51709	3.2
584.42175	26.7
584.56238	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
53.24979	2.7
53.93485	3.1
54.49871	2.8
55.01881	3.3
55.05516	13.3
57.07063	9.2
59.04985	6.1
60.95454	2.5
65.13176	2.7
65.24851	2.6
66.76328	2.3
67.05518	15.5
69.03425	6.4
69.07064	13.8
69.20026	21.5
69.20451	5.6
79.05492	24.2
81.07059	31.5
83.04972	5.6
83.08611	8.3
85.06544	5.7
89.06016	11.8
91.05498	43.0
92.05798	3.1
93.07053	47.7
95.04958	11.7
95.08602	32.3
97.06537	4.9
100.99122	2.2
101.29326	2.8
103.05435	3.7
105.07030	64.4
106.07885	3.2
107.08597	37.8
107.15425	2.4
108.08869	4.2
109.06509	8.6
109.10130	16.6
115.05493	6.7
117.07019	20.6
119.08580	86.6
119.37570	2.8
120.09316	3.2
121.06490	3.9
121.10139	30.8
123.08057	13.5
123.11686	6.0
125.05969	3.3
128.06227	8.7
129.06993	18.0
130.07793	6.9
131.08572	35.8
132.09340	4.8
133.06512	3.9
133.08563	8.1
133.10136	39.8
134.10445	3.6
135.08035	13.1
135.11687	12.0
137.09598	12.3
141.07024	5.7
142.07774	15.5
143.08572	34.4
144.09241	8.6
145.06483	3.6
145.10132	63.4
145.11293	3.6
147.08037	17.6
147.11673	15.1
149.09608	9.6
151.07559	7.3
151.11174	2.6
153.06989	5.5
154.07800	5.2
155.08604	18.2
156.09358	14.8
157.10126	53.1
158.10847	10.2
159.08083	7.3
159.11693	38.2
160.08839	15.2
161.09592	10.8
161.13252	9.0
163.11191	8.8
165.09109	26.8
167.08563	9.1
168.09326	6.5
169.10161	23.8
170.10849	10.7
171.07968	3.1
171.11696	28.0
172.12442	8.0
173.09596	5.7
173.13211	19.2
175.11194	11.7
175.14827	12.0
176.15152	3.5
179.08571	7.8
180.09145	3.9
181.10149	13.5
181.12213	12.3
182.10855	7.9
183.11705	22.0
184.12312	3.2
185.13239	20.0
186.14040	3.6
187.11125	4.3
187.14790	7.8
189.12726	8.7
190.13463	4.3
191.10817	3.5
191.14281	4.1
192.09244	3.2
193.10132	7.3
193.12202	6.9
194.10881	6.7
195.11723	19.2
196.12259	4.3
197.09720	3.8
197.13249	21.8
198.13708	3.2
199.11186	6.6
199.14842	8.1
201.12642	5.5
203.14339	18.2
206.10924	3.8
207.11682	12.7
207.13834	10.3
208.12517	5.5
208.14523	7.1
209.13351	20.2
211.11160	3.7
211.14862	13.5
213.12814	5.3
213.16379	3.1
217.15977	5.2
219.13791	4.1
220.12402	3.1
221.13225	8.2
221.15340	60.4
222.13823	3.9
222.15834	7.1
223.14792	12.6
224.15549	3.3
225.16426	7.4
229.15884	3.8
231.11554	3.5
233.13150	4.2
234.13977	3.6
234.16135	8.9
235.14821	6.2
237.12657	4.6
237.16423	8.4
238.16870	3.5
239.14070	2.7
239.17863	4.3
241.15733	2.7
247.14775	3.3
247.16969	11.1
249.16231	5.2
253.15903	3.5
253.19576	2.9
255.17534	3.5
263.17953	4.2
265.19379	6.0
271.16919	5.1
273.18738	3.6
274.19055	3.2
281.19177	3.4
283.20618	5.3
286.19150	6.9
287.20145	3.2
288.89606	3.1
297.18405	3.5
298.07657	3.3
299.20114	12.7
312.20901	4.9
325.21585	10.5
337.21500	10.2
349.51947	3.2
352.23987	74.5
365.24844	12.0
376.27747	4.6
383.25818	4.6
391.26221	5.0
398.28345	5.4
404.30667	7.1
412.29822	21.0
425.30423	4.1
438.31238	14.6
489.33676	7.9
491.34952	12.6
492.35413	19.6
504.35959	100.0
548.81549	3.6
566.40204	4.7
574.11902	2.9
584.41919	51.8
584.56049	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.05516	16.4
57.07074	13.1
59.05004	3.8
62.60391	2.7
65.03937	3.1
67.05506	22.8
67.94087	2.4
69.03429	8.0
69.07070	18.4
70.29819	2.7
70.95067	3.1
79.05501	30.3
81.07064	34.3
83.04981	6.8
83.08622	9.1
85.06558	4.2
89.06004	5.2
91.05500	41.2
93.07051	57.6
95.04955	10.1
95.08619	34.3
97.06533	4.8
103.05495	4.1
105.07037	77.8
107.08599	43.5
109.06549	13.6
109.10166	18.1
115.05473	4.1
117.07022	27.7
119.08590	94.9
120.08945	2.3
120.09373	2.4
121.06493	6.0
121.10159	31.3
123.08092	16.6
123.11707	5.5
125.06023	4.9
128.06233	9.7
129.07022	17.8
130.07852	4.9
131.08575	46.9
132.09303	4.4
133.06516	3.8
133.08609	6.3
133.10136	45.5
135.08084	20.7
135.11723	14.6
137.09607	10.0
141.07014	6.6
142.07837	21.4
143.08566	41.0
144.09344	16.1
145.10147	68.0
147.08073	24.4
147.11752	16.9
149.09628	12.7
149.13295	3.7
151.07576	9.1
153.07095	5.3
154.07767	4.2
155.08514	16.6
156.09323	17.1
157.10147	59.9
158.10931	13.8
159.08104	6.7
159.11713	38.4
161.09627	9.8
161.13255	9.0
163.11185	11.2
165.07097	3.8
165.09138	36.4
167.08514	8.4
168.09354	8.4
169.10167	21.0
170.10912	11.9
171.11694	35.6
172.12442	9.9
173.09648	8.1
173.13258	23.2
175.11234	15.5
175.14828	10.4
177.12785	3.3
178.09897	2.9
179.08565	8.4
180.09349	5.6
181.10181	16.9
181.12236	11.1
182.10889	8.8
183.11711	21.9
184.12274	5.0
185.09608	4.3
185.13298	22.8
186.13744	3.6
187.11159	7.1
187.14790	9.7
189.12709	10.6
190.13528	6.6
191.10678	4.8
191.14299	3.6
193.10185	10.1
193.12250	12.7
195.11697	19.7
196.12425	6.2
197.09651	5.9
197.13264	20.6
198.14088	3.5
199.11234	8.5
199.14825	9.0
201.12828	5.6
203.14320	19.8
205.10216	3.3
207.11673	10.4
207.13811	9.5
208.12617	6.6
208.14539	6.7
209.13307	18.8
210.13968	5.9
211.11357	3.9
211.14774	14.8
212.15390	3.4
213.12692	4.4
213.16374	4.3
215.14221	3.4
217.15732	3.8
219.11766	3.8
219.13777	5.4
221.13344	7.6
221.15376	77.0
222.15811	6.4
223.14825	10.6
225.16418	9.4
233.13274	5.9
234.14043	3.5
234.16199	10.1
235.14883	9.2
237.12723	7.1
237.16354	6.6
239.14409	3.7
241.15759	5.6
247.16946	10.8
249.16394	6.3
249.69164	2.7
251.17963	5.4
253.15866	5.7
259.17126	5.7
263.17972	5.4
265.19479	3.0
271.17044	4.4
273.18649	3.6
274.19193	4.9
279.17453	3.2
281.18942	4.7
286.19220	3.0
296.21323	3.3
297.22110	3.1
299.20132	11.4
300.20685	3.7
309.18549	3.3
311.19946	3.7
311.29318	3.6
319.20435	5.0
325.21680	13.0
329.44720	2.9
337.21808	9.9
352.24036	80.3
365.24692	12.6
378.25665	5.1
391.26334	4.5
398.28430	4.7
404.30917	8.1
411.28836	3.4
412.29727	21.3
425.30545	6.6
438.31442	14.2
474.34888	4.0
489.33505	6.3
491.35156	10.6
492.35645	7.8
504.36002	100.0
518.97424	3.0
566.40704	5.5
584.42218	27.2
584.55914	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	584.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.02120	0.6
55.05523	1.0
57.03434	0.7
67.05522	1.3
69.03418	1.0
69.07042	0.7
71.49795	1.2
79.05494	5.5
81.03421	1.7
81.07059	0.6
85.02905	3.0
91.05461	2.9
93.03412	1.1
93.07022	1.3
95.04970	2.0
95.08592	0.9
97.02877	1.4
97.06512	0.9
103.05490	5.1
105.07047	8.3
105.27230	0.7
107.04967	33.9
107.08591	1.3
109.02860	0.7
109.06450	0.8
111.04490	0.8
114.77364	0.7
115.05441	2.9
117.07037	2.1
119.04941	1.6
119.08575	1.1
120.05693	1.2
121.06505	2.0
123.04408	1.7
124.05171	1.0
125.06061	0.9
127.80293	0.6
131.04938	1.6
133.06520	4.7
133.14436	0.8
135.04492	0.9
135.08051	11.4
137.05995	5.6
138.06262	1.9
141.53722	0.8
145.06461	1.5
147.04431	2.5
147.08086	1.5
149.05948	1.1
151.03914	1.6
151.07559	2.2
153.05464	1.0
154.06279	2.6
159.08055	1.2
160.17508	0.6
161.06007	7.9
162.06767	1.1
163.03941	1.7
163.06143	1.0
163.07552	20.9
165.05496	1.6
166.06259	1.9
167.07050	21.4
168.07866	3.9
169.07726	0.8
170.93050	0.6
175.07552	1.4
177.09007	1.5
178.09904	6.4
179.07076	3.9
180.07759	3.9
181.05023	1.6
181.08612	8.1
189.09113	0.8
193.08609	7.7
194.09390	6.5
195.10184	100.0
201.09215	0.8
207.06480	0.9
209.11751	42.2
219.10118	0.9
254.17610	0.8
319.09909	0.8
321.08734	3.1
322.09070	4.9
422.14294	2.4
576.65704	0.8
584.20374	2.3
603.22748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
57.86646	1.4
58.49851	1.3
67.63307	1.5
69.03416	2.5
69.07056	4.1
70.67929	1.4
70.68275	3.1
79.05476	4.0
81.03373	1.7
81.07049	3.0
85.02905	3.1
86.09724	2.2
91.05469	4.0
93.07072	2.1
95.04982	10.7
103.05441	3.1
104.10710	1.4
105.07019	5.3
107.04974	16.4
115.05450	1.6
117.07033	2.3
121.06513	3.2
123.04444	14.5
124.05190	2.3
129.06999	2.6
130.07756	4.8
133.06508	1.7
134.03595	1.5
135.08031	2.5
136.75589	1.4
137.05959	4.1
140.04657	5.1
143.08565	10.0
145.04991	1.5
145.06384	2.0
145.10126	27.9
152.04633	1.9
155.07060	8.6
155.08432	6.7
158.07289	24.8
159.08023	2.9
161.06015	2.7
163.07510	4.1
164.59348	1.5
166.06313	1.5
167.07039	53.2
171.08069	2.6
173.09624	54.5
175.07515	3.8
178.06195	4.4
180.08595	3.2
181.04919	3.2
181.07144	1.6
181.08614	17.5
183.06564	9.8
183.09154	3.6
184.07309	3.4
186.06767	5.1
189.09294	1.5
192.07742	3.1
193.08627	5.2
195.10226	8.4
201.09113	100.0
207.10161	4.0
218.09178	1.9
219.10149	4.9
223.13219	1.8
233.11731	83.3
251.12801	53.9
252.13121	1.5
302.05600	1.4
307.76279	1.4
387.17966	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	584.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46441	0.3
55.01863	0.4
55.05497	0.8
63.22643	0.2
67.01865	0.3
67.05517	1.4
68.05831	0.3
69.03414	0.4
70.25578	0.6
70.25971	0.7
71.04973	0.3
77.74482	0.3
78.04705	0.9
78.07350	0.3
79.05489	1.3
81.03408	1.2
81.07071	1.2
83.04947	0.3
83.08614	0.5
85.02892	1.2
91.05479	1.2
93.07045	0.4
95.04955	0.8
97.02881	0.4
97.06506	0.4
105.07017	1.1
106.04161	0.8
107.04966	1.9
109.02885	0.8
109.10141	0.6
111.23443	0.3
119.08615	0.3
121.06541	0.3
123.04428	3.9
124.05190	1.0
127.03943	0.4
133.06528	0.5
135.08066	0.3
137.05934	0.6
149.05962	0.9
151.03879	0.7
152.04681	1.0
161.05966	0.9
163.07538	0.6
167.07039	100.0
168.07393	1.1
179.06853	0.3
181.08539	0.6
193.08629	3.6
195.10178	2.4
211.07646	0.7
211.09659	11.1
329.45190	0.3
584.30585	0.6
599.55389	0.3
608.10144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01871	0.4
55.05505	0.5
57.03439	0.3
63.45694	0.3
67.05500	1.5
69.03422	0.6
71.48162	0.5
73.02988	0.4
78.04720	1.1
79.05495	1.0
79.36221	0.3
81.03416	1.3
81.07071	0.7
83.04963	0.4
85.02917	1.1
86.09686	0.3
91.05473	0.9
93.07047	0.4
93.71106	0.4
95.04967	0.4
97.02917	0.6
99.08125	0.3
102.01516	0.3
103.05476	0.4
105.04536	0.3
105.07034	0.9
106.04197	1.0
107.04966	2.3
109.02866	0.7
109.10177	0.8
120.09026	0.4
121.06526	0.8
123.04442	2.8
124.05190	1.0
127.03899	0.4
133.06505	0.5
137.06001	1.6
148.05220	1.4
149.05937	0.7
151.03922	1.6
152.04642	0.7
153.05502	0.8
161.06042	0.5
163.07535	0.6
164.04240	0.3
165.05466	0.5
166.06323	0.4
167.07053	100.0
168.07355	0.7
171.20724	0.4
177.05403	0.3
181.08615	14.4
184.07364	0.4
191.06931	0.8
193.08641	4.4
195.10162	2.9
207.10149	1.0
211.09677	12.6
211.12947	0.5
216.11531	0.4
219.10217	0.9
225.11299	2.7
246.55606	0.3
247.13322	0.4
353.86475	0.4
387.18054	0.7
584.31171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11947	2.2
53.03952	2.1
59.05011	2.2
67.05502	3.6
69.03426	3.7
69.07076	3.4
70.06600	3.0
71.48358	2.9
72.27464	1.8
79.05492	9.2
79.60191	1.8
81.03407	2.9
81.07076	3.7
83.08585	2.0
85.02894	8.1
85.83350	2.0
86.09724	2.1
88.93985	2.3
91.05503	10.2
93.07037	5.1
95.04989	14.9
95.08600	2.9
97.02911	2.9
103.05471	6.3
105.07020	9.5
107.04972	41.8
107.08622	2.4
115.05510	5.3
117.07070	2.6
119.04958	5.7
121.06528	4.9
121.10147	2.4
123.04460	13.9
124.05231	2.2
124.43783	2.4
129.07030	2.6
130.07784	4.4
133.06453	3.6
135.08049	9.1
137.05983	10.0
140.04686	5.9
143.08574	8.8
145.04903	2.6
145.06506	3.0
145.10124	23.3
147.04410	13.8
151.03946	4.1
154.06311	2.4
155.07053	9.9
155.08536	6.3
158.07280	22.5
159.08078	2.8
161.05992	5.2
162.07649	3.0
163.07544	12.9
167.07057	100.0
168.02399	2.2
171.07997	2.3
173.09642	41.8
175.07576	2.0
177.05360	2.7
178.06378	2.8
181.04991	15.9
181.08611	20.1
183.06487	11.7
186.06752	5.1
189.09189	2.2
191.10667	3.0
192.07837	4.2
193.08644	6.7
195.10199	53.4
201.09116	84.7
204.10217	5.1
207.10147	2.7
212.16415	2.3
218.09485	2.7
219.10153	15.2
223.13336	2.8
233.11752	71.6
251.12822	75.3
251.15184	3.0
254.17546	6.0
259.71146	2.4
279.94785	2.2
328.50693	1.8
353.01575	2.1
355.15320	2.9
374.21915	2.9
387.18115	5.7
405.19409	4.6
420.22900	4.0
436.03586	2.4
438.23947	7.7
464.80164	2.0
546.75708	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	583.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63250	1.2
51.76603	1.4
53.03948	6.1
55.01868	5.9
55.05513	27.8
57.03434	1.8
57.07076	9.8
59.04996	5.2
63.11519	1.3
65.03931	4.2
67.05508	37.1
69.03442	8.3
69.07069	17.2
71.04993	2.9
77.03960	1.8
79.05141	1.1
79.05494	40.8
81.03418	6.2
81.07056	51.7
83.05000	8.2
83.08620	19.1
85.06563	4.3
91.04908	2.9
91.05481	51.2
93.07047	55.9
95.04987	19.4
95.08609	39.4
97.06542	9.3
97.10179	6.0
103.05490	2.9
105.04552	2.5
105.07033	66.0
107.04949	10.9
107.08594	43.4
109.06517	18.6
109.10152	21.6
111.04411	2.7
111.08103	8.8
115.05492	3.9
116.06264	1.8
117.07017	18.9
119.04910	1.7
119.08585	66.4
121.06506	9.1
121.10148	31.4
121.10945	2.6
122.07324	3.0
123.08080	18.6
123.11732	5.4
125.06029	2.3
125.09651	6.0
128.06219	7.1
129.06993	12.7
130.07819	5.9
131.05002	2.4
131.08578	32.5
133.06506	5.0
133.10141	38.5
133.11101	2.4
135.08066	17.5
135.11690	21.3
137.05940	1.6
137.09621	21.1
139.07632	1.8
139.11169	1.9
141.07056	4.9
142.07787	12.3
143.08577	21.9
144.09372	4.4
145.06494	4.0
145.10130	50.5
147.08058	26.3
147.11688	18.7
149.09619	15.7
149.13263	3.0
151.07553	10.8
151.08649	1.3
151.11206	5.0
153.09180	2.9
154.07741	1.7
155.08568	11.7
155.10638	1.6
156.09383	8.1
157.10141	32.0
158.10904	3.0
159.08072	6.3
159.11673	27.3
161.09608	13.2
161.13348	8.1
163.11177	18.8
165.07091	2.8
165.09117	53.2
165.12807	3.1
166.07649	1.9
167.08595	4.6
167.10750	3.1
168.09358	2.5
169.10124	15.2
170.10870	4.0
171.11696	18.8
173.09647	7.7
173.13298	12.5
175.11223	7.2
175.14813	10.3
177.12766	3.5
179.08620	4.2
179.10693	2.6
180.09373	2.5
181.10164	6.1
181.12279	8.7
182.10947	4.9
183.11667	13.4
184.12494	2.0
185.09521	2.4
185.13272	11.3
187.11252	4.0
187.14850	7.9
189.11211	2.2
189.12791	5.6
191.10736	3.2
191.14375	2.9
193.10175	6.4
194.10980	4.4
195.11691	11.3
195.13550	1.7
196.12448	2.4
197.11667	2.5
197.13264	14.0
199.14905	4.9
201.12773	1.7
201.16396	3.8
203.14320	18.8
205.10361	1.7
205.15863	2.1
206.10918	2.9
207.11728	9.4
207.13832	8.6
208.12437	2.6
209.11615	2.1
209.13293	11.0
210.14049	1.9
211.11288	1.5
211.14848	5.1
213.12840	3.1
213.16432	5.4
215.14339	2.5
215.18001	1.8
219.11714	2.3
220.12498	2.1
221.13330	6.6
221.15361	100.0
223.13040	2.1
223.14929	5.4
225.12822	2.1
225.16518	3.8
227.14565	2.3
227.17896	2.3
229.15858	1.7
229.19652	2.0
233.13234	3.4
233.15344	2.3
235.14909	6.0
237.16489	4.5
239.18079	4.8
245.13287	2.2
245.19160	2.1
247.17052	3.7
249.16519	2.2
253.15933	2.1
255.17638	2.4
257.19040	8.7
265.19489	1.7
273.15851	2.8
273.18527	19.7
275.20151	27.2
277.19635	2.9
283.20697	2.3
287.19983	2.6
290.18817	4.8
291.19516	11.5
293.21228	4.3
299.20135	3.6
311.20227	2.0
325.21594	2.5
338.21982	1.9
349.21667	1.7
349.25378	2.1
352.24097	5.4
353.24393	2.1
365.24786	3.2
367.26480	2.3
377.24799	1.8
437.30588	4.3
445.30472	1.9
473.34177	6.4
490.35886	2.3
491.35123	17.7
503.35135	4.2
547.38147	3.3
565.39758	8.5
583.41241	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01868	3.8
55.05297	3.8
55.05515	32.4
57.07073	10.9
59.05007	4.1
67.05514	39.4
69.03426	9.5
69.07082	29.9
69.38123	17.0
69.38547	8.9
71.05007	4.1
79.05498	41.6
81.03399	4.6
81.07066	67.7
83.05003	6.2
83.08620	13.4
85.06556	9.5
91.05490	66.8
93.07049	66.0
95.04993	19.8
95.08613	38.6
97.06535	11.3
97.10155	5.0
98.20800	6.1
99.52422	3.3
105.04509	3.6
105.07040	81.0
107.04955	5.7
107.08612	53.5
108.02391	3.1
109.06531	20.2
109.10173	27.6
115.05481	5.8
117.07037	24.8
119.07845	3.1
119.08592	87.8
121.06518	7.8
121.10159	63.7
123.08060	14.4
123.11735	7.8
125.09682	5.6
128.06224	11.1
129.07016	22.0
130.07764	5.5
131.08582	39.5
133.06496	4.3
133.10143	52.6
135.08080	12.7
135.11720	15.8
137.09619	13.5
141.07007	9.7
142.07809	21.0
143.08563	35.7
144.09352	6.9
145.10138	59.5
147.08066	24.3
147.11707	20.5
149.09642	16.5
151.07571	16.6
153.06985	5.2
155.08551	19.6
156.09366	13.6
157.10147	46.4
158.10892	5.3
159.08089	7.8
159.11710	23.9
161.09636	14.5
161.13283	11.1
163.11191	16.9
165.07047	8.6
165.09100	31.3
166.07832	4.8
167.08549	8.1
167.10735	24.8
169.10158	26.1
170.10913	10.0
171.11708	30.2
173.09598	9.1
173.13239	21.7
175.11197	5.1
175.14862	9.8
179.08609	10.9
180.09294	5.6
181.10205	11.9
181.12183	4.7
182.10942	9.4
183.11664	20.6
184.12459	4.6
185.13295	14.8
187.11330	3.6
187.14821	5.5
189.12663	5.2
191.14360	4.9
192.09357	4.2
193.10179	12.6
194.10889	7.3
195.11646	18.1
196.12585	7.8
197.13251	20.3
199.11189	3.9
199.14832	11.5
203.08675	3.6
203.14323	13.5
205.10303	4.8
206.10933	7.1
207.11734	16.3
207.13638	6.1
208.12436	8.0
209.13303	21.9
210.14114	3.6
211.14847	11.4
213.12895	4.5
213.16469	3.9
215.14433	4.0
217.10132	4.8
217.15865	6.8
219.11769	10.7
220.12418	4.8
221.13249	14.0
221.15411	51.7
222.14032	3.6
223.14955	15.5
225.16415	6.0
231.11873	5.7
233.13434	6.3
233.15416	6.0
235.14803	13.2
236.15819	3.3
239.17953	5.1
245.13232	7.6
246.13959	4.1
247.14772	6.3
247.17055	5.7
248.15437	4.6
249.16341	6.1
257.19000	9.8
260.15616	4.8
261.16415	7.0
263.17941	5.4
273.18500	12.6
275.17636	5.1
275.20309	8.6
277.19333	4.8
281.18805	3.9
283.20633	11.9
287.20349	4.5
291.19724	10.1
295.20587	3.9
297.22089	6.0
349.25061	4.8
375.26834	4.1
491.35089	9.1
503.35251	6.5
565.40002	20.3
583.41418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.05513	15.7
57.07077	13.4
57.63119	2.4
59.05025	3.0
65.03928	5.0
67.05502	32.6
69.03436	8.1
69.07063	25.2
69.80295	13.0
71.11113	2.7
79.05492	32.9
81.07059	45.3
83.04990	9.1
83.08620	8.5
85.06541	8.5
91.04922	2.6
91.05485	59.5
93.07050	62.7
95.04953	16.1
95.08610	45.1
97.06557	8.2
98.21439	3.6
103.05518	2.8
105.07037	97.1
107.04955	5.2
107.08604	59.8
109.06538	8.4
109.10179	26.0
111.08107	3.0
111.63760	2.4
115.05474	8.3
117.07027	26.9
119.06108	2.6
119.08588	100.0
121.06530	6.1
121.10153	53.9
123.08061	20.1
123.11731	7.6
125.06002	3.6
125.09650	4.9
128.06245	11.2
129.07019	23.1
130.07808	7.2
131.08571	38.3
133.10143	44.4
135.08047	13.0
135.11691	14.6
137.09621	15.7
139.11205	4.3
141.06982	13.3
142.07787	23.3
143.08566	49.6
144.09375	9.9
145.10129	60.4
147.08058	18.4
147.11696	22.0
149.09624	8.3
151.07526	13.9
153.07027	7.2
154.07806	5.4
155.08533	25.9
156.09370	22.9
157.10143	64.9
158.10896	7.6
159.08113	5.5
159.11708	28.8
161.09616	8.4
161.13287	8.1
163.11201	7.4
165.07024	8.5
165.09116	31.2
166.07820	4.8
167.08644	15.1
167.10667	15.7
168.09377	7.8
169.10150	34.5
169.11729	3.3
169.11981	2.5
170.10895	12.9
171.11697	37.7
172.12427	4.3
173.09674	6.8
173.13303	28.9
175.11188	5.9
175.14856	9.4
179.08557	17.3
180.09352	9.8
181.10114	14.2
181.12286	9.1
182.10957	11.5
183.11693	33.5
184.12550	5.1
185.09631	4.4
185.13292	16.8
187.14845	8.3
189.12781	7.3
191.08760	3.4
191.14310	12.9
192.09399	7.6
193.10161	19.0
193.11888	3.5
194.10962	14.9
195.11708	26.1
196.12526	11.3
197.13287	24.2
199.11243	4.2
199.14781	20.1
201.12762	3.2
203.14339	14.7
205.10179	10.3
206.10956	10.9
207.11710	22.9
207.13878	8.9
208.12483	10.1
209.13271	36.4
210.14026	3.3
211.14856	15.2
212.15465	3.1
213.12726	3.0
213.16330	4.3
215.14400	3.6
217.10172	5.1
217.15952	8.1
218.10814	3.5
219.11728	11.2
220.12506	7.4
221.13289	19.1
221.15436	63.0
222.13916	3.8
223.14816	18.4
224.15630	3.2
225.16383	6.6
227.14313	5.4
231.11745	10.3
232.12547	8.0
233.13280	14.6
233.15427	8.3
234.14096	5.3
235.14885	14.2
236.15572	4.1
237.16443	7.3
239.14520	3.9
239.17938	6.3
245.13327	12.0
246.13997	7.6
247.14848	9.5
247.17087	4.1
248.15633	4.8
249.16437	11.1
251.18015	4.4
257.13242	4.2
257.19025	7.5
258.14154	4.7
259.14911	9.8
260.15555	7.0
261.16473	10.3
263.18015	7.4
265.19604	7.7
269.19067	4.1
271.14886	6.4
273.16290	4.0
274.17136	3.4
275.17914	12.1
275.20474	4.6
283.20645	14.4
287.20306	3.9
289.19620	7.0
295.20596	3.2
297.22150	3.9
300.20670	4.0
307.20688	3.7
331.24350	4.4
347.23874	3.9
349.25391	9.3
361.25845	3.7
365.24832	3.2
375.26877	8.0
403.30014	5.2
412.85168	3.0
491.35544	6.4
503.35205	4.4
556.61975	3.5
565.40576	22.0
583.41437	97.0
583.50708	5.6
584.40979	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	583.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
52.74171	0.9
53.03942	5.5
55.01877	6.4
55.05513	33.0
57.03443	1.8
57.07074	2.4
57.42366	0.9
59.04993	2.3
65.03939	4.8
67.05504	37.4
69.03419	2.5
69.07067	14.8
71.04984	3.5
77.03932	1.6
79.05493	48.6
80.06284	0.9
81.03416	9.4
81.07058	100.0
83.04996	7.0
83.08618	22.6
85.06548	2.6
91.05481	41.8
93.07042	37.3
95.04970	27.3
95.08607	25.6
97.06526	4.7
97.10162	8.0
97.66277	0.9
98.21541	2.0
100.43183	1.1
103.05487	2.3
105.04521	0.9
105.07032	43.0
107.04291	1.6
107.04956	13.0
107.08589	23.9
109.06519	75.7
109.10164	13.0
111.08085	5.2
115.05466	4.0
116.06226	2.1
117.07022	17.9
119.04943	1.7
119.08582	38.1
121.06501	8.1
121.10136	18.7
123.04433	1.6
123.08082	7.8
123.11703	3.7
125.09630	8.2
128.06239	4.0
129.07024	9.0
130.07820	2.2
131.04951	3.9
131.08571	18.6
132.05725	1.0
132.08939	0.9
133.06490	5.7
133.10133	24.0
135.08087	7.7
135.11707	8.2
137.09612	5.7
139.11188	2.0
141.06993	3.6
142.07834	4.8
143.08562	12.1
144.09334	1.8
145.06529	4.4
145.10121	28.8
146.07230	1.9
147.08044	12.7
147.11688	11.4
149.09625	20.2
149.13248	2.9
151.07532	2.5
151.11224	2.4
153.06958	1.2
153.09119	1.6
155.08534	5.7
156.09361	1.5
157.06560	1.0
157.10146	12.6
158.10837	1.3
159.08112	4.3
159.11690	14.5
161.09624	15.8
161.13254	5.2
163.11194	20.3
165.09111	3.8
165.12755	2.4
167.08580	2.4
167.10658	7.7
168.09254	1.1
169.10086	7.4
170.10886	1.6
171.08073	0.9
171.11676	8.2
173.09589	5.7
173.13240	7.7
175.11215	5.2
175.14819	3.9
177.12720	2.3
179.08563	1.4
181.10120	3.5
181.12250	1.8
182.10904	1.1
183.11679	6.9
185.09627	1.7
185.13254	5.7
187.11250	2.1
187.14859	3.4
189.11218	2.6
189.12758	3.5
191.10603	2.4
191.14355	1.0
193.10129	1.6
193.12190	0.9
194.10962	1.3
195.11708	3.1
197.13268	5.1
199.11156	1.9
199.14861	2.5
200.81837	0.9
201.12833	2.0
203.14355	3.3
205.12215	1.3
205.15840	1.1
206.11038	1.3
207.11717	2.6
208.12427	1.4
209.13197	5.0
210.13823	1.3
211.11229	1.3
211.14789	2.9
213.12701	1.2
213.16443	1.9
215.14279	2.2
215.17928	0.9
217.15776	1.6
221.13339	2.9
221.15392	8.3
223.13214	12.5
225.16368	1.4
227.17830	1.4
229.15939	1.3
229.19527	1.9
229.42952	1.2
231.11714	1.0
233.15437	2.3
235.14821	1.5
237.12830	1.1
237.16444	1.6
239.18002	6.7
241.15901	1.3
243.13728	1.0
245.18935	1.0
251.18170	1.1
255.17424	1.5
257.18976	6.4
261.14587	5.1
263.14447	1.0
269.19061	1.4
273.18506	20.4
275.20071	34.1
281.11920	0.9
285.22272	1.7
289.18057	2.5
290.18753	13.1
291.19540	33.1
293.21112	11.8
311.20114	1.9
313.21881	1.0
315.19672	2.5
395.29251	1.8
437.30441	1.3
448.74527	1.1
455.31436	2.4
460.65262	1.0
491.35260	1.6
529.37158	1.4
547.37817	3.2
565.39075	6.5
569.63202	1.0
583.40698	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.4
55.01873	14.4
55.05514	62.0
57.03444	3.9
57.07079	3.6
63.76982	2.3
65.03947	5.5
67.05507	83.1
69.03424	6.5
69.07067	31.7
71.04983	3.6
79.05499	70.9
81.03414	19.6
81.07059	100.0
83.04979	13.5
83.08623	40.9
85.02915	2.9
85.06536	4.6
91.05484	72.4
93.07045	67.8
95.04967	42.1
95.08609	43.7
97.06533	11.0
97.10164	17.7
103.05437	4.5
104.06297	2.9
105.04560	2.6
105.07037	65.2
107.04951	25.8
107.08592	46.4
109.06518	22.7
109.10159	27.5
111.04454	2.7
111.08068	12.2
115.05443	7.0
117.07021	29.7
119.04945	4.2
119.08584	72.7
121.06511	14.3
121.10149	32.5
123.04416	3.8
123.08048	14.1
123.11742	5.6
125.09643	17.4
128.06227	3.9
129.07021	18.0
131.04927	5.5
131.08568	36.7
132.05765	3.0
133.06538	12.6
133.10123	39.7
135.08092	16.5
135.11751	15.4
137.09587	5.8
139.11237	3.4
141.07013	4.5
142.07784	5.8
143.08563	21.1
144.09319	4.0
145.06479	9.0
145.10132	45.4
146.07318	2.9
147.08054	21.2
147.11707	18.0
149.09616	33.3
149.13232	4.3
151.11220	3.7
153.09091	3.6
155.08571	12.7
156.09373	2.7
157.10129	20.2
159.08070	11.0
159.11696	21.5
161.09625	25.2
161.13345	5.7
163.11185	38.0
165.09148	2.7
165.12744	4.4
167.08617	5.8
167.10658	6.2
169.10143	8.8
171.11699	16.0
173.09673	6.7
173.13278	11.3
175.11203	9.0
175.14864	6.1
177.12726	5.9
179.08545	2.9
181.10176	3.9
182.11008	3.3
183.11617	13.1
185.09448	2.5
185.13258	8.7
187.11177	7.3
187.14833	6.1
189.11256	7.0
189.12738	6.5
191.14301	4.6
193.10123	3.9
195.11673	7.8
197.13260	10.5
199.11143	4.7
201.12770	4.9
201.16434	2.9
203.14511	3.1
205.12263	5.1
207.11714	3.5
209.13255	5.1
211.14778	2.9
213.16434	4.2
221.13226	3.6
221.15338	4.5
223.13179	13.9
229.19601	2.9
231.17258	2.7
233.15462	4.5
237.16414	4.5
239.17917	14.8
243.13841	3.6
245.19121	3.8
255.17461	4.4
257.19067	14.3
261.14673	12.2
265.16223	2.7
273.18500	42.3
275.16977	3.3
275.20099	62.7
275.23160	4.1
277.19565	2.6
285.18610	2.3
285.22107	3.2
289.17947	8.9
290.18701	33.0
291.19559	24.2
293.21155	21.2
315.19397	3.6
329.20947	2.6
376.05545	2.4
397.27164	3.0
419.29785	2.8
437.30411	5.6
455.31323	4.4
491.35333	4.2
529.36450	3.3
547.37805	7.2
565.38965	16.4
583.40375	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	583.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01876	15.7
55.05515	67.6
57.03432	4.4
57.07083	2.5
59.04998	1.9
64.12945	1.8
64.91795	1.8
65.03933	6.4
67.05504	72.1
69.03421	6.7
69.07069	26.7
71.04989	5.0
71.49006	2.2
79.05495	71.9
81.03411	13.1
81.07059	100.0
83.04985	14.7
83.08160	4.0
83.08622	50.7
85.06549	3.9
87.04462	1.6
90.80396	1.7
91.05484	73.5
92.05804	2.3
93.07048	65.9
94.92771	1.6
95.04974	47.2
95.08611	42.2
97.06550	10.6
97.10163	17.0
99.08082	2.4
103.05443	2.8
105.04507	2.3
105.07030	65.5
107.04965	24.9
107.08604	41.1
109.06524	26.1
109.10160	26.1
111.08087	9.4
115.05434	4.4
116.06251	1.9
117.07030	33.6
119.04913	2.6
119.05988	1.8
119.08586	63.0
121.06526	18.1
121.10152	35.6
123.08062	12.6
123.11695	6.2
125.09650	19.1
128.06207	5.2
129.07014	17.0
130.07799	4.3
131.04919	8.0
131.08578	35.4
133.06488	12.5
133.10130	36.9
135.08046	11.6
135.11710	15.6
137.09651	8.8
139.11168	4.6
141.07022	6.4
142.07768	5.7
143.08548	18.7
144.09352	3.7
145.06480	6.4
145.10136	41.0
146.07259	3.8
147.08055	24.7
147.11708	18.6
149.09622	37.5
149.13277	2.9
150.22614	1.8
151.11172	6.0
153.09135	2.5
154.07796	2.8
154.76288	1.7
155.08569	13.6
156.09251	3.0
157.06595	2.6
157.10152	21.3
159.08095	9.4
159.11688	23.6
161.09624	24.7
161.13286	6.5
163.11200	38.2
165.09085	3.2
165.12764	6.9
167.08601	3.2
167.10677	7.4
167.70900	1.8
169.10106	15.3
170.10892	2.6
171.11711	16.3
173.09595	9.4
173.13272	14.9
175.11235	11.7
175.14813	5.8
177.12746	6.2
179.08559	2.2
181.10118	5.5
181.12285	2.5
183.11690	12.9
185.09607	4.0
185.13255	7.0
187.11154	7.3
187.14844	5.4
189.11205	5.2
189.12788	6.1
191.10678	2.5
191.14354	3.2
193.10173	3.2
193.12398	2.0
195.11722	5.8
197.13252	10.0
199.11153	2.1
199.14774	4.6
201.12794	3.0
201.16478	2.4
205.12186	2.8
207.11691	5.1
209.13275	5.7
211.14835	4.7
213.12740	3.5
213.16356	2.6
215.14316	4.4
215.17815	2.8
221.13329	3.8
221.15425	5.3
223.13188	16.5
223.16814	2.0
229.15894	3.9
229.19542	5.5
233.13322	3.4
233.15416	4.2
233.18971	2.0
237.12825	2.5
237.16290	3.2
239.14374	2.5
239.17819	10.2
245.19052	3.7
247.16920	2.2
247.20436	2.7
249.14671	3.2
255.17303	2.9
257.19025	16.3
261.14719	13.9
273.18509	40.3
275.17395	2.8
275.20090	64.0
276.20557	2.4
281.18719	2.0
289.18018	9.5
290.18781	30.8
291.19495	28.8
293.21155	22.7
313.21771	3.8
315.19485	4.0
329.20764	2.0
374.44061	1.9
395.29630	3.2
437.30380	3.7
455.31451	6.1
473.32953	3.1
491.34949	6.4
529.36743	3.7
547.37823	7.1
565.39392	18.3
581.35394	2.5
583.40472	47.7
593.66913	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78624	2.0
53.03939	8.0
55.01865	7.0
55.05516	47.2
57.03418	3.1
57.07064	6.4
59.05003	2.3
62.71333	1.8
65.03930	2.8
67.05511	57.9
68.02270	1.8
69.03421	6.7
69.07074	23.9
69.41265	8.3
69.41679	5.0
71.04994	5.4
79.05499	55.5
81.03411	2.1
81.07060	75.8
83.04976	5.4
83.08621	21.2
85.06526	5.2
90.09122	1.8
91.04900	4.1
91.05487	85.5
93.06487	4.2
93.07047	61.7
95.04977	11.7
95.08614	41.0
97.06540	4.1
97.10172	18.9
103.05466	6.2
105.03415	2.0
105.04533	2.8
105.07037	100.0
106.07310	2.4
107.04991	10.0
107.08600	46.2
109.06538	14.5
109.10160	18.9
111.08085	6.2
115.05493	4.4
117.07039	26.4
119.04940	2.1
119.08588	84.9
120.08887	2.9
121.06522	5.5
121.09323	3.8
121.10146	36.8
122.10424	1.9
123.08109	11.2
123.11713	5.7
125.09626	17.7
128.06206	9.8
129.07014	22.1
130.07753	4.6
131.08588	45.1
132.09370	2.0
133.06490	5.4
133.10133	58.7
133.11110	3.9
135.08087	13.8
135.11699	20.9
137.09619	6.1
141.06969	6.6
142.07793	8.6
143.08553	24.8
144.09229	2.6
145.06487	6.1
145.10127	43.4
147.08064	8.2
147.11696	55.5
149.09619	6.8
149.13242	8.4
151.07562	5.7
151.11250	2.2
153.07104	3.3
153.09111	2.5
154.07732	2.0
155.08559	10.8
156.09340	4.4
157.06548	2.0
157.10147	27.6
158.10635	3.5
159.08066	6.6
159.11696	32.4
161.09648	10.4
161.13269	23.2
163.07518	2.8
163.11151	5.8
163.14816	2.8
165.07045	2.8
165.09131	5.2
167.08565	6.1
167.10641	2.8
168.09315	4.9
169.10143	11.5
170.10849	3.0
171.11693	18.7
173.09601	5.2
173.13257	20.2
174.13513	2.0
175.11169	6.6
175.14844	14.3
177.12712	4.4
177.16484	2.3
178.07690	2.6
179.08563	3.0
181.10127	7.3
181.12257	3.9
182.10886	4.5
183.11697	12.6
185.09650	3.7
185.13222	16.5
187.11186	4.5
187.14839	8.1
189.09268	2.3
189.11201	7.7
189.12714	4.7
191.14343	2.2
193.10167	4.3
193.12259	6.6
194.10886	3.0
195.11703	6.0
196.12209	3.2
197.13202	8.5
199.11172	3.7
199.14880	10.0
201.12714	3.0
201.16376	4.3
203.14336	2.2
207.11700	6.4
207.13559	2.2
209.13271	7.6
211.11177	3.5
211.14760	5.8
213.16446	2.4
219.11620	4.4
220.12335	2.0
221.13286	4.3
221.15436	7.0
223.15005	3.0
225.16479	2.9
231.21080	7.2
233.13184	4.2
235.14853	3.5
237.16396	3.7
239.17937	4.0
241.19528	26.9
243.17459	4.5
249.16512	3.5
255.17516	2.0
257.19031	7.6
259.20581	82.1
261.16251	3.1
261.18649	3.8
269.18878	2.7
271.16809	2.4
273.18512	7.6
275.20065	14.1
275.88919	2.5
277.21777	2.2
289.18112	9.5
291.19516	7.5
301.21631	2.6
307.19034	5.1
311.20178	3.1
316.56253	2.3
325.21802	2.2
329.21149	7.0
395.29404	9.5
413.30255	3.1
457.32895	2.3
514.32690	2.5
529.36597	4.0
547.37598	12.1
565.39270	28.7
583.40546	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	583.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.9
55.01860	4.7
55.05513	24.2
57.03443	9.4
59.05000	3.6
65.03939	6.1
67.05505	100.0
69.03429	17.6
69.07060	9.5
70.16523	3.6
70.16880	6.9
71.04993	8.4
73.02918	2.4
79.05497	20.3
81.03419	88.9
81.07054	40.5
83.04996	17.8
83.08623	21.1
85.02906	16.4
85.06549	5.6
91.05482	31.2
93.07046	18.4
95.04987	18.0
95.08601	12.5
97.02892	16.1
97.06557	3.7
97.10177	9.5
99.04455	5.9
105.07028	17.3
107.04968	6.0
107.08595	9.1
109.02894	18.1
109.06561	3.5
109.10155	71.2
111.04449	17.1
111.08089	8.1
113.05999	2.8
115.05511	2.4
117.07047	4.0
119.08577	17.4
121.06498	3.3
121.10166	7.2
123.08080	3.0
125.09658	6.7
127.03937	15.0
129.05457	3.3
129.06995	8.9
130.81891	1.9
131.08531	9.0
133.06525	4.8
133.10150	6.3
135.08063	3.2
135.11729	2.2
137.05974	6.5
137.09621	6.5
143.08565	2.1
145.06523	2.2
145.10156	5.1
147.04416	2.6
147.11650	8.9
149.05994	3.7
149.09627	4.1
151.03876	2.5
153.12762	3.8
155.10692	5.0
157.10204	9.8
163.11081	3.8
165.09103	2.1
167.07124	3.7
173.09816	2.4
173.10333	2.5
173.11723	18.5
175.11185	8.9
181.12259	3.5
185.27116	2.0
189.11177	3.1
191.10715	3.6
193.08623	9.7
193.12236	27.6
199.03987	2.6
211.13295	45.0
211.15276	2.4
227.12828	7.8
229.14354	12.6
235.13341	2.9
267.16086	4.1
273.14960	2.1
285.17255	3.1
299.15024	5.9
301.14554	2.8
337.16782	3.4
355.17941	11.4
411.20178	1.9
421.25989	3.1
439.27029	14.3
452.91031	2.3
517.60785	2.0
565.30103	6.7
583.31140	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	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
54.68334	1.6
55.01867	5.3
55.05513	27.3
56.72644	1.3
57.03440	7.7
57.07079	2.4
57.64991	1.3
59.04999	3.6
65.03937	4.5
67.05505	100.0
69.03425	19.6
69.07069	7.8
69.48303	3.9
69.48718	7.6
71.04998	8.8
71.45316	1.3
73.02917	2.1
79.05495	24.3
81.03418	91.8
81.07056	31.7
83.04978	19.7
83.08620	21.7
85.02908	16.9
85.06552	2.6
91.05482	28.0
93.07043	16.2
95.01330	1.8
95.04970	22.0
95.08601	14.3
97.02896	17.2
97.06527	6.6
97.10156	10.0
99.04468	5.0
99.08061	1.6
102.83389	1.4
105.07029	16.9
107.04935	7.9
107.08602	10.2
109.02889	18.5
109.06528	4.2
109.10156	60.0
111.04440	17.6
111.08065	9.7
113.05949	1.6
115.05511	1.8
117.07034	3.5
119.04996	2.3
119.08576	20.8
121.06516	3.2
121.10126	8.5
121.79603	1.5
123.04439	2.9
125.06018	1.9
125.09638	7.9
127.03918	12.2
128.06226	1.6
129.05548	2.3
129.07014	8.2
131.04913	2.0
131.08598	8.2
133.06535	3.7
133.10164	6.4
135.11691	1.8
137.05957	2.9
137.09653	4.8
143.08586	1.8
145.06503	1.7
145.10120	3.5
147.04456	2.7
147.11699	8.9
149.05969	2.4
149.09639	4.2
153.12833	1.8
155.10658	7.5
157.10156	9.7
161.06024	1.8
163.11220	4.5
165.12753	2.5
167.07080	2.3
173.11748	16.4
175.11214	6.9
177.20096	1.4
179.07037	1.7
181.12234	2.6
189.11285	4.1
191.10748	4.9
193.12238	32.6
193.13855	1.9
209.11835	2.6
211.13286	53.3
211.15300	2.7
227.12820	9.0
229.14311	15.9
235.13354	1.6
258.85147	1.5
267.15976	7.6
281.13882	2.0
285.17026	4.4
290.55338	1.4
299.14966	6.2
301.14362	3.4
309.17007	2.1
319.15457	2.3
328.16791	1.4
331.17249	1.7
337.16586	4.6
355.17719	12.8
393.18948	1.6
411.20026	4.6
421.25989	6.6
430.26715	1.7
439.26840	13.8
455.26044	1.9
463.27057	1.9
505.28217	2.6
565.29877	5.9
583.31116	91.9
584.30725	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	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39879	1.3
52.80683	1.5
53.03942	8.3
55.01856	4.5
55.05511	27.0
55.12061	1.6
57.03437	11.5
57.07080	2.0
59.04995	4.6
65.03944	3.2
67.05505	100.0
69.03432	20.4
69.07063	8.2
69.83365	8.5
71.01334	2.3
71.04977	6.2
71.51921	1.6
77.13672	1.5
79.05498	27.5
81.03416	82.0
81.06593	2.8
81.07050	36.4
82.16207	1.5
83.04984	15.5
83.08622	19.9
83.56526	1.7
85.02901	20.0
85.06548	3.7
91.05481	34.2
93.07043	20.6
95.04959	18.5
95.08607	15.2
97.02898	16.2
97.06535	4.7
97.10161	9.8
99.04438	5.1
103.05478	1.7
105.07037	17.8
107.04943	8.7
107.08563	12.5
109.02856	15.9
109.06499	4.3
109.10159	61.8
111.04443	16.8
111.08086	8.7
115.05434	2.4
117.07010	5.6
119.08578	17.5
121.06496	5.3
121.10136	7.4
123.04410	3.6
123.08042	3.9
123.11712	1.7
125.05956	1.8
125.09615	9.5
127.03929	10.7
129.05479	2.3
129.07021	10.4
131.04901	2.0
131.08604	8.2
133.06439	2.0
133.10117	9.4
135.11682	2.6
137.06041	1.6
137.09578	3.7
142.07780	3.0
143.08537	2.2
145.10123	5.3
147.04381	4.3
147.08055	4.0
147.11662	10.3
147.76701	2.1
149.05977	2.6
149.09610	5.4
153.09137	2.6
155.08557	2.2
155.10686	7.1
157.10146	7.6
159.11707	2.5
163.11168	5.4
165.05475	1.9
165.12772	4.2
171.04480	2.3
171.11578	1.8
173.11761	16.3
175.11131	8.8
189.11223	6.4
189.12708	2.0
193.12265	29.3
211.13303	37.7
217.12314	1.7
227.12790	6.6
229.14343	21.1
235.13307	3.8
259.13229	1.6
267.15872	7.9
275.20181	2.5
277.14395	4.0
281.14005	2.2
285.16971	5.1
299.14923	9.4
301.14484	5.4
309.17041	3.5
331.17508	3.3
336.04761	1.6
337.16498	2.8
351.18073	2.8
355.17612	6.0
356.99762	1.6
373.18469	3.2
375.18063	2.3
393.18478	2.1
411.20520	2.6
421.25876	5.9
439.26883	20.9
463.26889	3.4
487.26645	2.1
505.28098	8.1
535.29407	2.8
547.29675	2.1
565.29944	8.6
583.31116	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.3
55.01871	5.3
55.05519	29.1
57.03459	8.6
59.05008	4.1
60.50222	1.5
65.03958	4.2
67.05514	100.0
69.03439	18.7
69.07071	6.5
71.05007	9.6
71.49892	1.9
79.05507	21.7
79.47178	1.9
81.03431	91.8
81.07065	36.7
83.05009	17.7
83.08633	18.9
85.02907	18.7
85.06568	4.3
91.05491	29.3
93.07057	20.7
93.70532	1.8
95.04980	21.7
95.08611	13.4
97.02914	16.8
97.06542	8.9
97.10188	7.7
99.04485	3.4
105.07052	18.7
107.04968	8.8
107.08606	10.5
109.02904	16.6
109.06520	4.3
109.10173	56.5
111.04456	16.3
111.08107	11.9
113.06007	2.5
114.35378	1.5
115.05521	3.7
117.07048	4.1
119.04974	2.2
119.08594	20.2
121.06506	3.7
121.10146	8.7
123.04434	4.0
123.08124	4.0
125.09632	8.3
127.03903	10.7
128.06357	2.0
129.05476	3.0
129.06998	8.8
131.04956	3.9
131.08609	7.8
133.06528	3.9
133.10170	5.7
135.08008	1.5
135.11679	2.6
137.06009	19.5
137.09633	3.8
143.08630	1.5
145.06534	5.5
145.10139	3.4
147.04457	2.7
147.08098	3.1
147.11699	9.8
149.05997	3.7
149.09662	5.2
151.03940	5.3
153.05481	2.3
155.10739	4.8
157.10170	10.3
161.06056	3.2
163.11320	4.9
165.12810	5.7
167.07042	16.5
173.06068	6.2
173.11781	16.8
175.07631	2.7
175.11256	8.5
177.05469	3.6
181.04965	5.2
181.06421	2.1
181.12315	3.3
184.07344	2.8
187.14658	1.8
189.05438	2.0
189.11209	2.2
191.07083	4.7
191.10672	4.4
193.12250	34.3
193.13844	2.0
197.06030	3.0
205.08662	2.5
207.06522	2.0
209.11783	2.2
211.07599	2.4
211.13306	46.0
213.05508	3.1
217.05104	7.0
227.12825	4.7
229.14409	12.7
231.08301	2.1
235.13409	2.2
267.16147	5.1
281.13788	1.9
285.17157	2.9
299.14993	7.2
301.14453	4.8
305.07715	2.1
329.14154	2.6
331.11533	2.1
355.18134	11.5
387.14713	4.2
411.20099	5.4
421.26059	3.2
439.27100	13.3
459.17020	2.3
547.29132	3.5
553.20093	2.4
565.21429	3.0
565.30035	8.8
583.31110	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38532	0.7
55.01871	0.9
55.05492	2.7
57.03425	0.7
67.05507	5.3
68.40601	0.7
69.03436	1.2
69.33974	3.7
69.34390	1.5
73.82275	0.6
79.05492	2.6
81.03417	4.3
81.07042	3.0
83.04985	1.1
83.08611	1.8
85.02907	0.7
91.05476	2.9
93.07040	2.0
95.04961	1.9
95.08591	1.6
95.87963	0.8
97.02884	1.2
97.10207	1.0
97.12431	0.7
105.07041	1.7
106.06535	0.7
107.04954	1.0
107.08618	1.1
109.02915	1.2
109.10159	4.2
111.04449	1.0
117.07050	1.3
119.08575	2.3
121.10154	1.2
131.08543	1.1
133.10121	2.1
145.07611	0.8
145.10109	0.8
147.11707	1.4
149.09656	0.7
155.13066	0.6
168.07993	0.8
173.11795	0.9
177.05556	0.8
182.09808	1.4
183.09184	1.0
189.11153	0.7
193.12204	1.8
194.08395	0.7
195.09192	2.5
196.10014	1.1
197.10727	2.4
199.12321	1.0
204.08966	1.3
209.10721	16.1
210.11479	8.5
211.08621	1.4
211.13182	2.0
212.09315	1.4
212.13226	0.7
213.10072	0.9
214.11119	0.7
223.08723	0.9
223.12300	1.9
224.09267	1.2
225.10211	5.6
226.11049	0.8
227.11823	2.7
229.14285	1.1
237.10240	8.9
238.11002	9.8
239.11836	1.6
240.12546	0.9
251.11967	3.1
252.12674	1.3
253.09583	1.0
253.13350	2.5
255.11217	1.4
267.11337	1.1
269.12854	9.0
271.10895	3.0
271.14233	1.3
279.11252	3.2
283.10968	0.9
284.11523	1.6
285.12180	1.6
288.11334	0.8
297.12350	100.0
298.12625	1.0
299.14041	6.5
302.12915	0.9
315.13708	1.0
316.14731	1.2
328.14441	0.8
330.16031	1.4
342.15961	1.2
344.17755	0.9
407.19147	0.7
420.15674	1.0
420.20767	0.9
421.16501	0.9
434.17618	0.8
435.18130	2.5
439.26770	1.3
449.19644	2.1
450.20621	1.1
451.21265	2.3
465.22873	2.4
523.23383	1.3
583.25360	97.9
584.25677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.05500	10.1
57.07063	10.9
61.45042	4.9
67.05518	31.3
69.03419	5.4
69.07063	17.0
71.49221	6.0
77.03928	6.0
79.05511	31.6
81.07062	43.1
83.04970	5.3
83.08644	8.2
91.05485	54.5
93.07054	61.3
95.04981	81.0
95.08607	32.3
97.06525	6.1
97.10164	5.1
103.05457	7.1
105.07034	90.4
107.08613	38.7
109.06521	8.8
109.10152	21.2
117.07046	31.9
119.04951	10.4
119.08598	100.0
121.06503	13.1
121.10133	60.4
123.08078	24.5
123.11708	5.8
128.06216	17.1
129.07005	21.2
130.07822	8.6
131.08592	41.4
133.06502	11.3
133.10144	34.9
135.08061	7.0
135.11682	7.7
137.09598	5.8
138.10448	5.0
141.06978	9.9
142.07779	21.6
143.08585	52.1
144.09314	11.8
145.06485	7.6
145.09119	8.3
145.10150	89.0
147.08002	14.8
147.11690	20.6
149.09618	18.3
154.07745	6.1
155.08586	25.5
156.09323	19.6
157.10153	63.2
158.10947	10.1
159.08055	29.1
159.11717	30.6
161.09612	17.8
161.13269	6.1
163.11208	7.6
165.06976	13.4
167.08554	16.6
167.10745	39.2
168.09428	12.0
169.10129	45.2
170.10855	7.2
171.08061	7.4
171.11754	26.9
173.09558	11.1
173.13271	15.7
175.11169	7.3
175.14856	11.4
179.08530	14.6
180.09267	9.3
181.10139	25.8
182.10925	12.8
183.11707	22.1
184.12425	5.6
185.09593	6.3
185.13197	14.2
187.11232	11.1
187.14798	7.8
189.12732	10.7
191.14278	10.0
192.09314	6.8
193.10158	17.9
194.10921	12.3
195.11652	39.2
196.12431	8.9
197.09720	8.9
197.13310	27.2
199.11160	17.3
200.11974	7.4
201.16223	5.1
202.06532	5.3
203.14252	7.3
206.10907	13.0
207.11685	23.7
208.12492	9.9
209.09750	5.6
209.13264	26.5
211.11195	13.4
211.14784	24.6
212.11978	6.2
213.12682	6.8
215.14261	6.9
219.11829	10.5
220.12476	7.8
220.14609	7.0
221.13278	17.5
221.15297	6.4
223.11127	13.9
223.14792	19.4
225.12758	10.9
227.14299	6.7
229.10023	5.7
231.11758	6.9
232.12436	10.9
233.13232	17.9
233.15434	21.8
234.16090	6.3
235.14891	14.9
237.12737	7.4
239.14351	5.5
247.14745	13.2
251.14278	5.9
253.15956	6.3
259.14719	7.9
261.16351	11.9
265.15851	6.0
271.14825	7.7
273.18509	18.9
275.17755	6.3
277.15860	6.6
286.19406	6.7
289.15985	6.0
291.17444	6.1
299.20053	15.4
311.20206	7.4
335.20016	8.7
337.21692	14.0
340.73062	6.1
351.23068	10.8
352.23932	77.7
363.23212	8.8
365.24893	9.7
429.27759	7.0
430.85617	5.5
444.30215	62.6
490.34570	13.3
549.37000	6.7
564.40100	6.8
582.40668	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03942	2.8
55.05518	10.0
57.07074	5.1
57.56411	1.4
59.05008	3.1
65.03954	3.0
67.05500	14.6
69.03438	5.1
69.07072	9.5
69.20107	6.9
69.20530	7.7
79.05491	20.7
81.07055	30.9
83.04993	3.8
83.08623	5.6
85.06565	3.7
91.05486	42.8
93.07052	40.6
93.34868	1.5
95.04973	55.6
95.08599	20.2
97.06520	3.0
103.05466	3.5
105.07037	68.0
107.04984	3.7
107.08599	43.4
109.05916	1.6
109.06519	9.6
109.10163	10.7
111.08063	2.6
114.55310	1.5
115.05480	6.6
117.07034	23.5
119.04980	5.3
119.08588	65.1
120.09394	2.0
121.06495	7.6
121.10150	33.7
122.07292	5.0
122.52592	1.5
123.08089	15.2
123.11733	6.9
125.09660	1.6
125.13566	1.6
128.06242	17.9
129.07007	19.8
130.07803	8.7
130.43359	1.5
131.08574	41.6
132.09354	2.5
133.06517	6.1
133.10136	31.3
134.07179	1.7
135.08063	17.1
135.11722	8.7
137.09631	2.4
138.10413	3.1
141.06999	12.3
142.07776	26.9
143.08571	60.6
144.09357	8.7
145.06516	5.8
145.10133	66.1
146.07292	3.7
146.11050	1.9
147.08046	9.0
147.11676	17.8
148.08849	2.2
149.09590	7.5
151.11237	3.6
153.06963	8.3
154.07819	5.6
155.08559	20.2
156.09344	22.3
157.10139	53.8
158.10925	10.4
159.08073	13.7
159.11703	19.8
160.08812	2.0
160.12503	1.8
161.09622	19.0
161.13300	3.9
163.11230	3.9
165.07056	8.7
166.07799	7.7
167.08582	14.9
167.10660	8.8
168.09372	8.3
169.06503	2.0
169.10141	29.6
170.10905	7.5
171.08096	5.0
171.11705	36.2
172.08867	4.8
172.12585	2.5
173.09641	19.6
173.13261	16.8
175.11200	7.6
175.14841	3.2
178.07764	3.3
179.08557	13.3
180.09393	6.9
181.10132	21.5
182.10966	11.0
183.08139	3.6
183.11711	35.4
183.13237	3.0
184.12518	4.8
185.09627	14.9
185.13286	15.1
187.11162	11.5
187.14899	4.6
188.12024	5.9
189.09109	7.6
189.12761	10.7
191.14305	10.3
192.09358	6.1
193.10141	19.6
194.10942	10.1
195.08043	2.7
195.11711	30.2
196.08876	2.2
196.12477	8.2
197.09688	6.3
197.13272	24.9
198.14102	4.4
199.11197	15.7
199.14832	9.4
200.12033	3.7
201.12772	8.4
203.08710	2.0
203.14375	3.9
205.10110	3.7
206.10863	7.8
207.11702	21.8
208.12526	8.5
209.09491	3.5
209.13298	25.1
210.10432	2.8
210.14041	8.9
211.11194	11.2
211.14822	12.0
212.12051	5.0
212.15443	2.3
213.12729	8.0
213.16469	6.2
214.13615	2.0
215.10786	3.2
215.14369	4.5
217.10121	4.5
217.12141	2.2
217.15916	5.2
218.10995	3.9
219.11714	11.2
220.12532	7.9
221.13231	14.2
221.15154	2.3
222.14078	6.8
223.11267	8.3
223.14793	17.9
224.12093	3.4
224.15512	2.2
225.12746	9.6
225.16454	5.7
227.14325	16.1
229.10216	2.6
229.12256	2.7
230.10966	3.9
231.11729	5.9
231.13893	3.8
232.12526	6.2
233.13316	11.0
233.15346	2.7
234.14008	3.4
235.11230	2.4
235.14832	11.1
236.12004	1.7
236.15648	2.4
237.12820	5.0
237.16417	4.6
238.13547	2.2
238.17123	2.0
239.14407	4.5
239.18109	6.5
241.15883	4.6
243.11760	3.3
244.12468	2.3
245.13293	6.1
245.15527	2.1
246.14125	5.0
247.14853	11.5
248.12064	1.8
249.12805	5.4
249.16473	8.1
251.14508	5.7
251.18170	2.1
253.15811	9.8
255.17583	7.1
257.13278	3.6
257.19131	3.0
258.13983	2.2
259.14850	6.6
261.16461	8.1
262.17200	1.7
263.14417	5.4
263.18048	4.8
265.15878	4.8
267.17490	1.8
269.19089	1.9
270.14029	2.7
271.14554	2.5
271.17154	7.8
273.18555	65.7
275.14426	2.2
275.17932	2.7
277.15976	6.6
277.19519	3.7
278.16660	2.2
279.17468	2.2
281.18927	2.4
285.16245	1.8
286.19427	4.6
287.20386	2.1
289.15945	9.9
289.19431	3.3
291.17502	6.3
291.21182	5.1
293.18945	2.9
297.16150	2.6
299.14648	1.8
299.20139	22.2
300.20789	2.1
301.19528	3.5
303.17538	1.9
305.19073	2.6
309.22250	4.4
311.20142	3.4
312.21133	2.2
315.21158	2.1
319.20654	7.3
323.20178	3.3
325.21750	7.0
327.21017	2.4
334.22943	3.3
337.21640	29.5
339.23282	3.1
345.22311	3.0
351.23334	5.3
352.23981	100.0
353.24847	6.4
357.21982	2.1
363.23340	10.8
365.24750	10.3
376.24023	4.5
389.24585	1.7
401.28571	3.0
406.29041	2.0
429.27960	5.0
434.28238	6.1
443.29410	2.0
444.30325	40.2
445.31174	7.5
472.33542	2.5
490.34308	12.8
521.38062	1.6
526.35016	2.8
567.38879	1.9
582.40747	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1502
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
55.19363	0.2
56.68385	0.2
57.03449	0.2
68.99793	0.4
69.03415	0.3
71.47969	0.3
73.02925	0.4
81.03420	0.2
85.02907	0.4
97.02888	0.4
103.34935	0.2
109.02834	0.2
111.00777	0.2
115.05468	0.2
117.07005	0.2
119.01962	0.2
121.02877	0.3
135.04498	0.2
137.02361	2.2
138.16928	0.2
140.97493	0.2
143.01950	0.2
145.01735	0.2
147.04430	0.3
149.02306	0.4
155.01929	0.2
157.06482	0.3
161.02890	0.3
161.06015	0.4
163.02724	0.2
163.03914	1.0
165.01863	0.3
175.03964	0.3
179.07033	0.2
185.02965	0.2
185.05977	0.6
213.05479	1.7
221.05014	0.3
231.06535	0.7
241.04958	0.9
242.06146	0.3
245.05132	0.6
247.04916	0.6
259.06241	0.3
259.19656	0.2
269.04462	0.4
287.05515	100.0
288.05838	1.1
299.08011	0.4
330.58282	0.2
401.12592	0.4
461.13208	0.3
515.02393	0.2
581.15039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.9
55.01881	10.5
55.05516	31.6
57.03423	5.9
59.04996	5.3
65.03943	3.5
67.05513	90.2
69.03435	23.6
69.07080	9.4
69.32796	14.0
71.01352	3.0
71.04992	7.6
79.05505	24.4
81.03427	77.6
81.07064	33.0
83.01345	4.8
83.04990	23.9
83.08640	15.7
85.02907	12.1
85.06537	3.4
91.05483	26.7
93.07050	32.8
95.04983	11.2
95.08613	11.6
97.02899	17.3
97.06526	6.8
97.10178	10.8
98.21458	3.4
99.04453	6.8
105.07029	14.7
107.04959	10.4
107.08604	16.2
107.46724	1.5
109.02876	19.8
109.06532	6.3
109.10167	57.6
111.04456	15.8
111.08074	5.6
115.05475	1.8
117.07034	9.1
119.08627	14.2
119.09414	2.6
121.06542	3.7
121.10162	8.9
123.04461	2.8
123.08080	5.5
125.06016	2.1
125.09645	11.4
125.63168	1.4
127.03952	15.9
129.06985	2.7
131.08606	6.0
133.10121	6.8
135.08078	3.1
135.11700	13.6
137.09662	2.7
145.06471	2.0
145.10136	14.1
147.08118	2.4
147.11708	2.8
149.06107	1.8
149.09630	1.8
153.09142	1.8
153.12735	9.0
155.08586	2.7
155.10669	6.5
157.10146	3.0
159.11772	1.8
163.11192	20.9
169.10208	1.6
173.04564	1.8
173.09656	3.1
173.10336	2.1
173.11763	18.0
173.13193	2.4
181.12206	7.5
189.11256	8.8
191.10747	5.8
193.12300	3.2
209.11652	8.2
227.12766	14.9
229.14395	2.0
281.13895	2.9
283.15421	3.9
287.05563	10.3
299.14957	13.8
353.16034	6.8
355.17627	7.0
409.18274	2.2
437.25464	9.7
581.29602	100.0
582.30017	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	581.1504
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
57.03415	0.2
68.99793	0.3
69.03417	0.2
69.35457	0.2
69.70634	0.1
71.48782	0.2
85.02888	0.2
86.41727	0.1
109.02888	0.2
111.00782	0.3
115.03928	0.2
115.05536	0.2
121.02957	0.2
133.27011	0.2
137.02365	1.9
143.04932	0.2
149.02353	0.5
157.06471	0.3
163.03891	0.6
165.01755	0.2
175.03882	0.4
175.07536	0.2
185.05966	0.7
189.05453	0.5
213.05473	1.8
216.04182	0.3
231.06471	0.7
241.05066	0.9
259.05939	0.2
269.04404	0.3
287.05508	100.0
288.05801	1.4
445.48505	0.2
545.86151	0.2
581.15063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83741	0.2
53.62974	0.2
57.03452	0.2
59.50362	0.2
60.08550	0.2
68.99781	0.5
69.03429	0.2
70.88371	0.4
72.77962	0.2
73.02932	0.3
85.02864	0.2
109.02894	0.2
121.02839	0.4
133.56703	0.2
137.02353	1.9
137.03340	0.4
141.06989	0.3
143.04877	0.2
149.02342	0.4
157.06526	0.5
161.06006	0.3
163.03906	0.5
165.01825	0.4
185.05972	0.6
189.05519	0.4
203.07043	0.2
213.05499	2.1
216.04327	0.2
231.06572	0.8
241.05000	1.3
259.06091	0.2
269.04428	0.3
278.70251	0.2
287.05515	100.0
288.05896	1.2
313.11539	0.2
373.13992	0.7
465.83350	0.2
472.67371	0.2
478.13580	0.2
581.15039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01854	0.7
65.03927	1.0
67.05501	0.5
68.53792	0.3
69.03444	1.7
70.74034	0.9
78.04716	2.2
79.05482	1.0
81.03419	0.9
85.02895	2.7
91.05474	1.0
95.04965	0.9
95.08834	0.3
97.02891	0.8
103.05470	1.3
106.04147	1.4
107.04924	1.2
109.02906	0.8
110.03631	0.6
115.05463	3.5
115.87943	0.3
117.07026	5.2
123.04440	6.5
124.05209	2.2
125.05998	0.7
127.05425	1.2
130.04140	0.3
131.04906	0.6
137.05977	0.6
138.03178	0.3
142.02660	0.7
143.04906	0.4
145.06496	8.4
147.08105	0.6
149.13115	0.4
151.03903	1.4
152.04718	1.9
153.05457	0.6
155.04846	0.7
155.06015	4.2
167.07045	100.0
168.07454	0.9
171.06442	0.8
173.05994	20.6
175.07596	0.8
181.04964	23.3
190.06181	0.4
190.33760	0.3
199.82997	0.4
201.05457	1.1
205.08601	4.3
216.51089	0.3
233.08104	6.3
235.07483	0.6
235.09642	4.1
254.86215	0.3
286.69952	0.3
384.34207	0.3
387.14401	17.4
417.15503	11.2
417.21100	0.7
557.09729	0.4
579.20740	45.4
580.21204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01870	6.7
55.05515	44.4
57.03434	11.6
57.07072	4.8
65.03931	5.6
67.05512	89.5
69.03425	3.4
69.07076	31.9
71.05003	14.5
71.48475	2.6
71.48837	4.5
79.05073	4.3
79.05501	65.3
80.10284	2.7
81.03422	28.3
81.06597	6.4
81.07062	100.0
83.04995	10.3
83.08624	21.6
85.06532	10.9
87.08094	3.0
88.62025	2.9
91.05486	57.9
93.07048	61.4
95.04994	16.7
95.08618	53.0
97.06524	10.8
97.10191	18.8
99.08096	6.2
105.04498	4.3
105.07044	58.2
107.04954	6.4
107.08591	36.7
109.06535	7.1
109.10163	28.7
111.08123	6.7
117.07040	24.2
119.08595	39.7
121.06493	6.4
121.10154	32.2
123.08075	5.3
123.11701	10.8
125.09655	13.5
128.06197	3.3
129.06996	11.2
130.07788	3.4
131.08591	31.9
133.06398	3.9
133.10133	29.1
135.08041	7.1
135.11697	18.2
139.11153	4.4
143.08556	11.7
145.10147	27.9
147.11731	24.1
149.09625	7.9
149.13246	5.0
151.11208	6.7
155.08549	8.8
157.10170	15.0
159.11725	16.9
161.09552	3.9
161.13242	14.4
169.10124	7.6
171.11665	9.4
173.09642	4.3
173.13269	10.7
175.11133	3.7
175.14842	9.3
177.12651	4.4
181.10179	4.8
183.11685	8.3
185.13277	8.8
187.14864	6.8
189.11221	12.1
193.12311	10.7
197.13196	5.7
227.12822	15.5
239.16351	5.0
243.21049	4.0
259.20432	3.1
261.22180	8.3
267.15967	22.7
269.17520	3.5
285.22321	4.0
289.21634	4.5
299.23706	4.6
301.25266	12.8
333.24243	3.9
335.26044	17.3
361.27255	5.5
363.25348	8.0
391.50104	3.1
415.94626	3.6
417.31760	4.3
435.27246	3.9
435.32574	12.0
453.33746	12.6
471.34576	8.8
509.36224	5.7
527.37518	53.9
545.38458	49.5
559.38849	4.8
577.23358	3.2
577.40192	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32350	2.9
53.03946	6.0
55.01867	6.1
55.05514	41.6
57.03434	13.6
61.86750	3.3
65.03929	3.3
66.78075	2.6
67.05507	97.4
69.03412	3.0
69.07072	24.3
69.65018	11.6
69.65430	7.4
71.04997	21.7
79.05499	73.2
81.03419	26.0
81.07063	100.0
83.04974	12.2
83.08617	26.7
85.06544	12.6
90.20821	3.3
91.05481	61.8
93.07051	72.0
95.04961	14.6
95.08612	64.6
97.06538	13.0
97.10165	16.5
105.07037	52.1
107.08604	50.2
109.06536	7.9
109.10158	28.6
111.08094	7.9
115.05451	4.1
117.07014	23.3
119.08591	48.8
121.06501	3.5
121.10139	40.6
123.08109	6.7
123.11723	15.9
125.09624	20.0
128.06186	5.4
129.06177	3.3
129.06987	16.6
131.08575	41.8
133.10129	36.4
135.08038	5.7
135.11697	17.3
137.13258	3.2
139.11115	3.5
141.07004	4.8
142.07938	3.1
143.08560	14.8
145.10158	29.7
147.11699	30.3
149.09621	8.6
149.13275	11.4
155.08623	8.1
157.10085	19.8
159.11681	19.3
161.09592	3.5
161.13298	12.2
163.14812	3.3
165.12811	4.3
167.10638	4.0
169.10152	11.6
171.11740	11.0
173.13290	15.2
175.14851	4.6
177.12715	4.6
181.10156	4.9
183.11703	10.5
185.13274	13.4
187.14842	8.6
189.11234	8.2
189.12825	3.7
189.16232	3.3
193.12247	10.6
197.13327	5.7
199.11345	2.9
199.13229	3.9
199.14929	8.0
201.16403	5.9
211.14978	3.9
213.16487	3.9
223.14941	3.0
227.12808	19.0
239.16325	4.9
243.21072	5.6
261.22107	9.5
267.15839	30.3
285.22040	3.7
287.23566	6.8
289.21692	6.8
299.24017	4.4
301.25235	19.2
303.23315	5.1
333.24234	3.5
335.25891	16.2
341.24692	3.7
359.26019	4.9
363.25421	7.4
417.31482	7.5
435.27344	5.2
435.32642	17.5
453.33377	21.4
471.34689	11.4
501.35892	3.6
509.36484	7.2
519.36987	3.9
527.37390	70.9
545.38354	59.1
559.40057	13.8
577.41388	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	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.0
53.03938	8.1
55.01868	29.8
55.05514	59.3
57.03441	27.5
57.07066	3.5
63.65791	2.2
65.03929	6.0
67.05508	100.0
69.03419	6.9
69.06731	3.4
69.07073	43.5
71.04983	7.5
71.22684	5.8
79.05074	4.4
79.05497	67.4
80.18038	2.3
81.03420	36.3
81.06596	4.9
81.07059	78.6
83.04992	14.9
83.08627	26.2
85.02911	12.3
85.06525	7.5
91.05482	80.4
93.07047	58.0
95.04962	24.0
95.08618	46.2
97.06521	32.6
97.10180	17.7
99.08111	4.6
103.05475	3.4
105.07037	75.7
107.04972	24.9
107.08603	35.6
109.06532	12.4
109.10159	44.3
111.08072	10.4
115.05432	3.1
117.07017	28.2
119.08585	48.8
121.06490	8.0
121.10142	23.7
123.08048	6.8
123.11727	4.4
125.09637	14.2
128.06238	5.3
129.05481	4.9
129.07007	21.9
130.07669	2.3
131.08566	40.2
133.06519	4.4
133.10136	37.5
135.08090	6.6
135.11678	9.4
137.09619	10.0
141.07054	5.7
142.07784	5.3
143.08588	13.2
145.06537	6.0
145.10158	25.1
147.08057	8.7
147.11699	28.1
149.09645	22.2
149.13249	4.4
151.11174	4.2
155.00940	2.6
155.08595	11.6
157.08835	2.9
157.10106	17.4
159.08131	4.3
159.11703	17.2
161.09671	5.1
161.13275	8.9
163.11165	9.7
165.12759	6.0
167.08627	4.1
169.10150	9.9
171.08064	3.1
171.10315	3.1
171.11656	13.3
173.11790	4.5
173.13226	6.1
175.11185	6.7
175.14897	3.7
177.12737	5.5
179.14357	5.4
181.10092	4.2
181.12250	2.9
183.11676	6.1
185.09709	2.6
185.13286	8.8
187.11220	3.4
187.14888	3.0
189.11244	6.8
193.12242	18.6
197.13228	6.9
201.12718	2.9
202.54668	2.7
205.15831	3.7
211.13309	25.8
211.15033	4.0
215.14343	2.9
217.14270	3.5
227.12643	4.5
229.14305	11.9
233.15527	3.6
243.15982	3.5
247.20688	2.8
257.19031	10.0
259.20557	8.7
267.15927	12.4
269.17340	2.5
273.18524	5.4
275.20065	57.6
285.16888	22.4
291.19525	10.6
293.21158	13.9
297.22260	2.6
313.21826	3.2
329.13785	4.9
333.24384	2.6
340.71002	2.9
349.23874	20.7
417.26611	3.7
431.29550	2.7
449.30344	4.7
467.31528	5.9
485.33051	4.0
541.35089	18.4
559.22919	5.3
559.36249	40.5
577.23810	3.4
577.37512	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3738
Annotation	Agosterol A
Peak:m/z	Relative Intensity
53.03940	7.9
55.01874	20.2
55.05513	47.4
57.03437	13.1
57.07072	4.6
59.05014	2.0
60.13232	1.9
65.03922	6.1
67.05507	85.5
69.03432	9.1
69.07063	26.9
70.16750	8.5
71.04978	9.3
79.05495	78.6
79.05872	1.4
81.03419	45.6
81.07056	100.0
81.07537	5.0
82.59531	1.9
83.04977	22.2
83.08618	31.8
85.02912	16.5
85.06528	7.4
91.05483	81.8
93.07047	59.4
95.04974	32.9
95.08607	40.8
97.06535	25.6
97.10187	14.2
98.20862	2.3
99.08061	6.5
103.05449	2.6
105.07032	71.8
107.04956	24.9
107.08598	43.1
109.06509	16.2
109.10153	22.1
111.04433	3.5
111.08089	12.1
113.05978	4.3
115.05471	3.3
116.06256	2.5
117.07031	17.9
119.08584	54.9
121.06505	7.7
121.10155	26.9
123.08096	11.8
123.11705	13.6
125.09577	10.1
128.06255	2.6
129.07002	17.4
131.08565	35.0
133.01833	1.9
133.06488	5.5
133.10135	36.2
135.08029	10.5
135.11685	12.5
137.09608	6.9
139.11142	2.5
141.06932	2.8
142.07715	4.5
143.08551	10.0
145.06483	3.7
145.10117	25.5
147.08025	5.0
147.11694	39.2
149.02365	4.5
149.09627	20.7
149.13249	6.7
151.11191	3.1
155.08510	4.8
157.10156	16.7
159.11731	14.4
161.09656	5.4
161.13234	7.2
163.11183	10.9
165.09132	4.4
165.12769	4.8
169.10132	5.4
171.11707	7.0
173.09627	3.0
173.13269	8.7
175.11176	12.9
177.12685	4.3
181.10078	2.2
183.11668	5.0
185.13226	3.0
187.11253	3.6
187.14761	3.3
189.11188	8.2
189.12738	3.8
189.46306	2.7
193.04924	3.5
193.12251	39.4
195.11708	4.9
197.13271	4.3
201.12814	3.0
205.12253	2.9
211.13298	46.6
227.12761	10.1
229.14351	2.4
239.18108	5.3
247.20534	6.9
257.18814	10.0
259.20630	2.7
267.15912	19.2
273.18561	3.0
275.20059	71.8
285.16986	27.2
293.21124	5.1
317.21115	2.6
331.22733	2.6
349.23724	35.5
355.56113	2.5
381.22742	3.4
431.29059	2.9
449.30109	4.8
467.31680	4.3
479.30023	8.9
485.32407	3.2
541.35199	20.2
559.36304	34.5
577.37567	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	577.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01867	1.7
57.03417	2.2
61.02917	2.9
69.03432	8.5
69.95708	4.4
71.04998	1.1
71.16019	0.8
73.02914	1.6
73.88467	0.8
79.05488	2.2
81.03432	4.7
82.66145	0.7
85.02909	12.0
88.22530	0.8
91.05472	2.1
95.04957	3.7
97.02890	5.3
99.04434	1.0
103.05453	2.5
105.07011	1.1
106.06529	1.2
107.04942	4.0
109.02854	2.4
115.05424	1.5
117.05772	1.9
118.06522	1.6
120.08058	1.0
121.06519	1.2
123.04452	2.0
124.03979	1.3
127.03931	1.9
130.06532	34.8
131.04921	1.7
131.07260	1.2
132.08101	13.8
133.06454	0.8
135.04410	3.2
137.05986	1.0
142.06519	1.0
143.07231	0.9
144.08078	1.6
145.04958	0.9
145.07585	6.8
146.06032	4.5
147.06802	1.0
147.09145	8.9
151.03915	2.0
155.05972	0.8
156.08095	15.9
157.07600	11.6
157.08864	4.7
158.06023	3.6
158.08273	0.9
159.04366	3.0
159.09166	2.2
160.07561	2.7
167.07098	2.0
170.06094	1.1
171.09207	6.7
173.07100	2.7
173.10725	3.0
174.05539	1.3
183.09138	4.5
184.07587	2.4
185.07072	4.6
187.03972	4.3
187.08661	7.4
188.10733	1.5
197.06972	1.2
199.08672	4.9
201.10216	2.6
205.07704	1.9
206.08389	3.1
207.09027	3.9
208.07599	1.4
211.08679	3.0
219.09085	1.6
225.10208	2.2
225.13808	0.8
235.06522	1.1
235.08673	11.8
235.12283	2.7
239.08017	0.9
249.13766	1.1
251.08119	1.0
251.11888	1.3
253.09773	9.3
259.12366	1.2
260.10611	1.0
261.10153	1.2
263.08167	3.7
263.11728	1.3
277.13284	3.1
279.07739	1.1
281.09210	29.6
287.11734	1.5
295.14404	5.6
305.12750	6.3
323.13892	13.0
333.12460	4.7
345.14417	3.0
351.13397	100.0
352.13782	1.8
365.15292	1.0
383.15811	3.6
392.57581	1.0
397.17639	5.8
398.02670	0.9
415.18649	69.0
416.18896	1.3
577.23926	20.9
578.23639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	39.2
57.07082	75.1
58.07392	2.4
63.27381	2.3
67.05184	3.8
67.05510	49.7
67.68206	2.0
69.07075	73.3
71.04992	2.0
71.08637	54.9
79.05492	13.9
81.07065	88.9
81.39062	2.1
82.07378	2.7
83.08162	4.3
83.08625	60.9
85.10191	27.5
86.80853	2.1
87.04467	7.0
91.05467	6.7
93.07054	5.9
94.41953	2.6
95.08614	100.0
96.08949	3.1
97.10176	46.7
99.11723	4.7
102.69842	2.5
105.07047	4.6
107.08585	7.0
109.10165	62.6
111.11720	35.3
119.08578	2.9
121.10157	3.1
121.24595	2.5
123.11740	21.9
125.13274	19.2
133.10147	3.7
137.13245	13.0
139.14819	3.9
143.51880	2.5
143.60680	2.3
145.10223	2.5
147.11652	3.0
148.73578	1.9
149.13232	2.1
151.14807	10.1
165.16394	8.0
179.18027	3.5
222.97937	2.4
236.45108	2.2
301.20035	3.1
313.27515	4.2
314.27658	3.1
333.35251	2.8
482.39352	11.2
540.43518	5.7
557.60413	14.3
575.41687	3.3
575.49969	18.3
575.60974	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	575.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07515	1.8
53.03957	12.0
53.65191	2.1
55.01886	11.6
55.05272	4.1
55.05521	48.7
57.03435	13.4
57.07087	3.3
59.04993	4.6
59.97439	2.4
61.88604	2.4
65.03940	5.9
67.05513	100.0
69.03442	7.4
69.07080	32.1
69.41026	17.5
71.05009	14.5
72.61681	2.2
79.05501	76.7
81.03430	27.9
81.07068	94.7
83.05008	16.5
83.08624	26.3
85.02893	5.0
85.06540	6.6
91.05490	73.8
93.07053	67.8
95.04991	20.8
95.08617	58.2
97.02904	2.8
97.06516	12.1
97.10169	19.3
99.08150	5.4
103.05460	3.5
105.07045	60.1
107.04963	14.4
107.08603	43.2
109.06545	8.0
109.10165	29.4
111.04437	3.5
111.08092	9.4
115.05456	4.5
117.07036	30.9
119.08595	40.5
121.06528	8.9
121.10149	30.6
123.04482	2.3
123.08070	9.8
123.11737	8.1
125.09656	18.0
128.06236	7.9
129.07010	22.7
131.08583	42.6
133.06499	8.4
133.10143	43.6
135.08055	12.7
135.11722	14.3
137.09703	4.9
138.10439	2.5
139.11165	3.4
141.07007	6.5
142.07803	6.5
143.08583	22.7
145.06512	6.1
145.10133	36.5
147.08078	10.5
147.11697	24.3
149.09618	14.4
149.13307	5.9
151.11200	9.7
155.08542	11.9
157.10155	21.5
159.08023	4.6
159.11734	23.9
161.09674	5.9
161.13318	8.3
163.11226	7.2
167.08589	5.8
168.06631	2.4
168.09406	3.7
169.10141	13.6
171.10223	4.1
171.11690	21.8
173.09619	6.1
173.13229	12.4
175.11229	11.2
175.14917	6.7
177.09224	2.9
177.12749	4.4
181.10158	6.6
183.11786	11.4
185.13324	14.6
187.11218	4.6
187.14903	4.1
189.11215	7.4
189.12804	4.6
191.14177	2.7
193.12218	12.0
195.11719	10.0
197.13271	8.3
199.11327	2.3
199.13199	2.7
199.14857	6.4
201.16463	3.7
209.13306	6.0
211.13193	12.4
211.15057	3.8
223.15022	3.4
225.16447	3.9
227.12727	11.4
227.17953	2.5
233.15565	2.3
235.16953	3.0
237.16550	2.8
245.19087	3.2
253.14351	4.5
255.17477	5.9
263.19971	3.5
267.16068	10.5
273.18671	14.6
275.20178	5.5
283.20544	4.7
285.22327	3.6
291.19604	18.5
297.21936	4.5
299.23700	7.8
301.21622	4.7
315.23248	2.7
321.22232	3.8
339.23282	3.9
347.22372	8.2
355.53271	2.7
361.23984	3.0
365.23709	5.4
415.29956	4.2
421.26083	5.4
433.31131	12.5
451.32089	16.6
469.32965	3.9
477.28745	4.0
499.34061	6.3
507.34494	5.9
517.35370	18.7
525.35858	42.1
543.36938	46.7
557.38776	16.6
575.38391	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	575.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
54.36619	2.3
55.01873	27.7
55.05513	58.3
57.03440	17.1
65.03945	5.6
67.05508	83.9
69.03418	9.6
69.07066	40.6
71.04994	12.8
71.23679	5.9
79.05493	79.3
81.02995	3.5
81.03428	42.7
81.07057	100.0
83.01328	3.3
83.04981	22.9
83.08622	30.4
85.02901	14.1
85.06534	4.8
87.49075	2.7
91.05486	91.6
91.15489	2.6
93.07047	73.7
95.04971	30.0
95.08605	40.5
97.02891	10.1
97.06531	23.6
97.10172	26.5
98.20811	2.6
103.05413	3.0
105.04510	5.1
105.07028	70.3
107.04968	25.5
107.08588	44.1
109.06509	16.0
109.10162	22.3
111.04431	7.6
111.08049	14.0
115.05432	3.8
117.07028	24.5
119.05015	3.0
119.08582	49.2
121.06525	11.2
121.10143	30.8
123.04445	3.2
123.08081	20.8
123.11700	11.3
125.09653	26.2
128.06223	2.2
129.07047	15.1
131.08583	31.4
133.06483	8.3
133.10132	29.2
135.08054	9.9
135.11707	14.0
137.09602	8.3
141.06987	3.5
142.07747	4.5
143.08574	10.5
145.06473	7.0
145.10130	26.8
147.08051	11.1
147.11687	28.5
149.09677	16.1
149.13248	4.9
151.11156	3.8
153.09178	3.4
153.12796	3.5
155.08511	3.7
157.10156	15.7
159.11699	14.6
161.09637	5.6
161.13252	4.7
163.11185	25.5
165.09055	3.8
165.12743	5.8
169.10112	3.5
171.11705	5.9
173.09613	5.1
173.13274	6.4
175.11194	9.2
177.12793	5.1
181.10017	2.9
181.12193	3.6
183.11679	6.1
185.13210	3.1
187.11227	5.1
189.11218	14.1
189.12758	4.5
191.10730	3.1
193.12274	23.2
197.13362	5.0
209.11722	7.4
211.13261	30.4
219.13942	4.0
223.13261	11.8
227.12781	20.0
229.19388	3.1
239.18016	3.5
257.19006	9.8
267.15878	20.8
273.18573	19.7
275.20068	58.9
283.15393	29.6
285.16995	4.7
291.19571	74.6
293.21158	3.6
305.93646	2.6
313.21674	5.7
331.22409	3.9
347.22269	4.0
349.23868	20.8
365.23175	6.0
415.30502	2.6
437.25296	3.4
447.29211	2.8
465.30060	4.6
477.28308	6.2
483.31247	3.8
487.81979	3.0
539.33746	4.8
557.34796	53.6
575.35797	69.9
576.35803	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	573.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01879	4.4
55.05511	54.3
57.03419	3.2
57.07079	36.8
58.06673	1.7
65.03947	5.2
67.05508	81.5
69.07070	49.7
70.89961	4.0
71.05013	2.8
71.08637	22.2
79.05493	43.2
81.03430	3.3
81.07057	87.5
83.05004	3.6
83.08620	49.2
85.06520	2.5
85.10191	11.0
87.04530	1.5
91.05484	33.4
91.06030	2.8
93.07046	49.9
95.04961	8.1
95.08611	68.0
97.06542	5.8
97.10170	26.3
99.08079	1.8
101.45589	1.6
105.07043	23.9
107.04961	2.1
107.08596	27.7
109.06517	2.8
109.10161	29.7
111.08107	3.9
111.11737	8.4
117.07023	6.3
119.08590	18.6
121.06522	2.5
121.10147	22.5
123.08109	2.5
123.11703	12.3
125.09672	3.2
125.13272	3.1
129.07007	2.1
131.08565	15.5
133.10127	19.3
135.08041	3.1
135.11697	17.5
137.09656	3.0
137.13316	5.0
139.11169	2.2
143.08609	4.1
145.10121	15.1
147.11668	12.2
149.09622	3.4
149.13292	7.5
151.11162	2.7
153.12740	2.4
155.08539	2.6
157.10124	3.1
159.11710	8.5
161.13281	8.7
163.11201	4.6
163.14891	3.6
165.12830	1.9
171.11670	3.0
173.13275	3.8
175.14816	4.2
177.12737	3.6
185.13269	3.3
187.14874	3.2
189.16551	1.8
213.16452	2.2
215.18013	2.0
239.23769	4.8
243.21262	3.9
257.19040	2.6
261.22314	10.2
263.23737	5.5
275.20056	18.9
279.23349	2.1
293.21109	6.4
311.25861	2.3
313.27417	7.1
317.24866	7.9
342.33368	1.6
411.32504	1.9
447.35086	1.9
491.60422	1.9
499.45370	2.3
519.42267	2.0
537.43378	2.8
555.44196	6.0
573.48846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.9
55.01875	14.8
55.05264	2.8
55.05515	32.1
57.03442	9.9
57.07063	5.5
64.95544	1.7
65.03934	6.6
67.05508	75.4
69.03426	4.1
69.07070	26.2
69.40079	12.5
71.05014	4.0
71.08630	2.3
79.05499	100.0
81.03429	13.0
81.07060	94.3
83.04977	16.1
83.08631	13.7
85.06544	6.3
91.05484	92.4
92.47060	1.8
93.07052	78.3
95.04977	21.7
95.08613	45.6
97.06535	21.0
97.10186	7.7
99.08027	2.4
103.05477	4.2
105.04510	3.4
105.07036	80.9
107.04964	19.0
107.08596	33.3
109.06518	17.0
109.10151	14.5
111.04456	2.0
111.08096	5.9
113.06040	3.1
115.05524	2.1
116.98771	1.6
117.07015	19.8
119.08591	51.6
121.06512	7.2
121.10153	17.4
123.08049	10.7
123.11704	5.2
125.09629	4.8
127.07590	1.8
128.06239	4.3
129.05450	1.9
129.07014	20.6
130.07802	2.8
131.08572	19.9
133.06497	2.6
133.10138	33.9
135.08003	8.1
135.11685	8.6
137.09633	4.0
139.30739	1.7
141.07014	2.7
142.07823	3.1
143.08597	13.3
145.06447	2.8
145.10120	30.4
147.08043	5.2
147.11703	43.4
149.09627	13.1
149.13313	4.9
155.08543	3.9
157.10184	6.7
159.11699	11.5
161.09637	6.3
161.13257	15.3
163.11185	10.1
165.12766	4.8
169.10001	4.1
171.10263	3.3
171.11668	27.2
171.12991	2.7
173.13272	6.4
175.11194	4.7
177.12692	2.8
179.14291	3.1
183.11664	4.6
185.13216	3.1
189.11285	1.8
189.12703	8.0
193.12364	1.8
197.13297	1.7
201.16440	1.7
207.13809	20.0
227.12810	7.5
229.19418	2.2
239.18015	2.8
247.20647	5.9
257.19031	10.3
267.15912	3.2
273.18491	3.7
275.20071	69.7
281.17480	42.7
281.19794	1.3
291.19540	4.9
293.21173	5.8
337.38480	1.6
349.23758	23.3
459.30862	3.3
475.30472	5.1
537.36334	2.1
555.36847	28.6
573.37555	22.5
573.48090	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	573.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83594	0.8
51.02391	0.8
53.03955	3.9
55.01629	1.2
55.01877	12.2
55.05514	31.7
56.45544	0.8
57.03436	5.4
57.07062	2.0
59.04986	2.2
65.03934	3.2
65.31994	0.7
67.05508	35.9
69.03436	10.8
69.07071	25.7
70.60378	2.2
71.01325	1.3
71.05000	5.2
71.08619	1.1
73.06567	0.9
77.03916	0.8
79.05496	43.8
81.03423	13.9
81.07062	33.6
82.07394	0.8
83.01339	5.4
83.04985	14.5
83.08164	1.0
83.08624	14.8
85.02900	2.4
85.06533	2.0
88.78124	0.7
91.05489	33.1
93.07050	38.6
93.07643	1.8
94.04175	1.7
95.04970	13.0
95.08611	17.1
97.02893	10.1
97.06548	6.6
97.10173	8.6
98.89000	0.8
99.04451	1.1
103.05451	2.0
105.04502	1.7
105.07044	22.4
107.04951	12.6
107.08608	21.4
109.02906	0.9
109.06511	7.0
109.10163	9.3
111.04430	2.1
111.08083	3.0
115.05446	2.2
116.06221	1.1
117.07028	13.5
118.04118	0.7
118.14322	0.8
119.04957	1.8
119.07816	1.3
119.08588	18.0
121.06530	5.8
121.10163	9.8
123.04420	1.1
123.08072	7.8
125.05963	1.8
125.09644	7.5
128.06207	2.5
129.07030	5.9
130.07782	1.8
131.08572	11.0
133.06491	4.0
133.10138	8.7
134.07298	0.8
135.08047	5.5
135.11687	10.5
137.09610	3.4
141.07004	1.0
142.07779	1.9
143.08560	5.4
145.06442	2.2
145.10143	15.8
147.08043	6.8
147.11676	4.1
149.09589	3.0
149.13206	2.0
151.07487	1.0
151.11214	1.0
153.09007	1.1
153.12740	3.4
155.08548	2.7
157.10106	3.4
159.07980	0.9
159.11690	3.6
161.09605	4.4
161.13245	1.7
163.11177	15.6
163.96477	0.8
165.09117	1.7
169.10130	1.6
169.12186	0.9
171.07974	1.1
171.11647	2.9
173.09660	3.9
173.13272	2.0
175.11192	3.5
177.12717	1.7
177.61411	0.8
179.10765	1.0
181.12231	3.2
183.11842	1.1
185.09705	0.9
185.13260	1.7
189.11226	4.8
189.12747	1.5
191.10695	2.3
191.14128	0.9
193.12268	1.2
195.11757	1.1
195.13792	1.8
201.05455	0.9
205.12283	1.7
209.11758	3.4
222.39244	0.8
223.13287	15.8
227.12755	4.8
227.18069	1.5
245.19075	2.1
246.90663	0.9
249.14848	1.4
255.17525	1.8
263.20126	1.2
273.18478	17.7
275.20071	2.1
283.15439	2.9
291.19547	100.0
292.20148	1.2
309.20605	1.0
311.19827	1.2
347.22333	2.5
365.23212	1.8
463.28397	0.9
523.34406	1.2
541.35065	3.6
545.34619	2.0
555.33392	2.6
573.34167	75.2
574.34576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
53.63997	1.9
55.01871	8.4
55.05518	55.3
57.03444	4.5
57.07081	35.0
65.03943	6.0
67.05512	77.8
69.07073	62.3
69.24886	9.9
69.25321	8.3
71.05007	4.6
71.08635	19.5
73.02920	1.9
75.94411	1.8
77.03938	4.1
79.05500	83.1
81.03421	3.2
81.07065	93.0
83.04996	8.6
83.08630	48.1
85.10193	8.2
89.06033	16.4
90.06407	2.1
91.05488	72.4
93.07053	100.0
95.04971	11.8
95.08614	68.2
97.06544	10.2
97.10184	34.4
98.97838	2.3
99.08121	2.1
99.15533	1.9
105.04514	3.1
105.07043	64.5
107.04962	3.5
107.08602	53.4
109.06538	7.0
109.10175	27.9
111.08098	4.4
111.11752	7.4
117.07034	23.1
119.08592	45.8
121.06541	2.3
121.10152	38.3
123.08080	5.6
123.11732	7.7
125.09644	3.9
128.06282	4.2
129.07002	4.5
130.07825	2.8
131.08577	33.8
133.08644	8.0
133.10153	46.0
134.08957	2.0
134.72400	2.3
135.08084	6.2
135.11699	26.5
137.09648	3.0
137.13152	2.9
139.11238	2.6
142.07831	2.7
143.08606	6.3
145.10150	28.1
147.11697	21.4
149.09706	6.7
149.13268	16.4
155.08582	4.0
157.10139	9.7
159.11713	22.6
161.13301	12.6
163.11244	5.7
163.14870	6.4
164.46999	1.9
169.10133	3.4
171.11713	8.3
173.13329	11.9
175.11162	2.5
175.14896	6.0
177.11307	4.1
177.12769	4.9
177.16316	2.1
179.14217	2.5
183.11685	2.7
185.13333	6.3
187.14850	5.1
197.13454	3.3
199.14897	3.5
203.97612	2.2
211.14891	3.5
213.16504	2.7
217.15875	2.0
219.21138	3.1
229.19562	2.8
231.17509	2.9
235.16916	4.2
237.22003	2.5
239.18056	7.5
239.23691	2.3
241.19537	4.6
243.21129	9.9
248.87807	2.6
249.18634	2.3
249.65057	1.9
257.19162	8.1
259.20648	5.8
261.22195	19.6
275.20087	73.0
276.91113	2.5
277.21555	3.8
277.50287	2.1
300.91019	2.6
311.25803	30.5
313.27499	8.0
315.23230	8.3
317.24734	14.4
331.92859	4.8
399.26566	2.5
497.43573	6.2
511.45645	4.1
547.90948	2.7
553.43054	3.1
565.91095	11.8
571.47308	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21137	3.7
52.61799	3.4
52.78017	3.6
52.92984	3.7
53.03955	8.9
55.01852	11.0
55.05278	4.7
55.05516	54.7
57.07084	27.4
67.05503	87.9
69.03452	6.6
69.07066	40.3
69.91629	21.3
70.96604	4.4
71.04974	5.9
71.08632	5.2
79.05494	73.9
81.03404	11.0
81.07055	100.0
83.04976	10.7
83.08628	35.6
85.06559	7.1
85.10181	40.5
89.06031	14.8
91.05480	86.9
93.07051	80.1
95.04980	24.1
95.08613	74.7
97.06473	8.6
97.10162	9.6
102.95122	5.7
105.07036	73.4
107.04945	13.3
107.08603	49.0
109.06484	9.2
109.10162	28.4
111.08080	10.8
113.09640	44.5
117.07030	26.4
119.08587	73.0
121.06501	6.4
121.10178	28.1
123.08058	15.2
123.11714	5.5
125.09620	6.2
128.06206	5.7
129.06970	12.0
131.08557	50.5
133.06493	4.3
133.10130	50.5
135.11690	20.2
137.09659	4.6
141.07043	7.5
143.08546	16.8
145.10112	35.1
147.08067	7.4
147.11681	43.1
149.09628	22.9
149.13268	15.4
151.11266	6.3
155.08495	9.3
157.10127	13.6
159.11685	23.6
161.13268	18.4
163.11220	21.6
165.09090	6.6
165.12724	45.9
167.08618	5.0
169.10092	7.7
171.11682	15.4
173.13283	13.1
175.11151	8.2
175.14830	9.6
176.30812	4.8
177.12843	5.0
181.12344	4.8
183.11749	11.4
185.13316	7.7
187.11197	4.7
187.14836	8.3
197.13249	6.8
199.14815	8.2
203.14230	5.7
207.13771	7.0
211.14830	6.0
213.16316	7.6
215.17995	5.1
221.15378	15.3
239.17827	8.3
241.19522	8.2
247.17058	4.0
257.19128	8.3
259.20679	20.2
261.22073	5.7
275.17023	4.6
275.20062	90.7
275.23138	4.3
276.20908	11.3
277.21622	74.0
279.23206	8.1
293.21115	12.9
295.22748	50.2
301.21692	9.7
303.23383	4.7
306.64398	3.9
317.24942	4.3
345.27850	6.5
425.34485	8.7
441.33652	11.4
443.35428	6.7
444.82376	4.0
445.33273	6.0
535.41132	10.1
553.42487	36.9
565.90851	11.8
571.43201	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01864	8.4
55.05516	44.1
57.03429	3.0
57.07075	7.7
65.03949	6.4
67.05505	77.6
69.03411	3.6
69.07076	35.4
69.58132	2.1
70.01656	5.1
70.02059	8.8
71.04987	5.8
71.08618	3.0
77.03892	2.6
79.05499	76.8
81.03420	3.2
81.07059	83.2
83.04993	4.5
83.08622	25.8
85.06561	4.5
85.10185	3.0
91.05487	75.7
93.07050	80.9
93.07642	3.9
95.04970	10.6
95.08611	64.6
97.06527	8.6
97.10182	12.9
100.72711	2.5
105.04529	3.5
105.06311	4.0
105.07030	74.8
105.07699	5.1
107.04969	4.7
107.08605	58.2
109.06515	7.5
109.10163	28.6
111.08079	4.1
115.05441	4.2
117.07024	24.9
119.08591	66.8
121.06512	4.4
121.10155	32.9
123.08067	6.8
123.11720	9.3
125.09608	6.1
126.85295	2.4
129.07019	8.0
131.08595	27.8
133.10135	47.9
135.08078	7.1
135.11688	26.1
137.09642	5.8
137.13425	2.6
139.11119	4.0
142.11110	2.3
143.08559	10.8
145.10138	28.5
147.08083	2.9
147.11687	23.3
149.09621	10.7
149.13216	11.4
151.11209	3.5
157.10097	8.3
159.11703	22.4
161.09634	2.6
161.13275	12.5
163.11191	8.2
163.14871	3.9
169.10184	6.4
171.11694	10.2
173.13281	16.8
175.11160	3.6
175.14798	5.1
177.12714	6.4
183.11722	6.2
185.13246	2.3
187.11281	3.1
187.14816	5.6
189.12857	3.5
199.14822	4.4
207.87595	2.7
211.14890	3.0
213.16470	4.2
215.14450	3.7
216.15785	2.3
217.15894	3.8
227.17976	3.2
229.19528	2.7
233.19180	2.7
235.16925	3.1
239.17937	8.0
247.20618	6.5
257.19003	13.6
259.20465	3.4
261.22189	15.0
273.18469	3.7
275.20090	100.0
277.21674	8.9
279.23337	4.8
291.19757	2.8
293.21167	6.7
311.25778	4.1
317.24713	3.0
459.34653	3.2
535.41571	3.2
553.42786	12.8
571.47925	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
53.46754	2.9
55.01863	5.5
55.05273	4.6
55.05516	69.8
57.03436	3.3
57.07077	7.8
59.45804	3.3
64.17051	2.7
65.98041	3.6
67.05513	93.6
69.07082	36.0
70.98143	4.0
71.05003	7.4
71.08647	3.7
74.91430	2.7
79.05077	4.7
79.05501	63.1
79.90398	3.0
81.03402	3.7
81.07068	100.0
83.04974	7.9
83.08620	56.1
85.06541	4.3
91.05496	56.7
93.07057	71.5
95.04978	23.1
95.08617	83.1
97.06541	8.3
97.10179	14.7
99.08073	3.7
105.07050	65.2
107.04953	8.7
107.08606	53.2
109.06513	6.9
109.10168	31.6
111.08075	7.0
111.11682	3.2
117.07021	27.3
119.08597	44.4
119.79677	3.3
121.06480	4.1
121.10162	35.5
123.08080	7.7
123.11694	10.0
125.09657	7.8
125.53079	3.4
129.06993	10.5
131.08571	36.5
133.10132	35.9
135.08031	7.5
135.11700	21.3
137.09631	6.8
137.13170	4.1
139.11104	4.4
141.06982	6.2
143.08588	15.6
145.10133	34.6
147.11723	25.1
149.09616	14.1
149.13231	10.5
151.11168	4.2
154.69849	3.5
155.08586	11.8
157.10135	13.2
159.11705	19.0
161.09563	4.6
161.13284	15.7
161.15305	3.3
163.11217	23.9
163.14851	3.8
168.09297	3.3
169.10149	9.5
171.11696	12.8
173.09579	4.1
173.13281	16.2
175.11267	5.2
175.14809	6.0
177.12695	6.2
183.11711	5.5
185.13284	11.2
187.14845	8.3
189.16220	3.3
191.14406	5.1
197.13243	11.9
199.14851	10.4
201.16414	3.4
211.14838	4.1
213.16457	5.7
223.13219	6.6
223.16917	3.5
229.19417	4.5
239.17961	9.1
253.78130	3.7
257.19073	9.0
261.22137	7.8
275.17355	6.2
275.20120	83.8
277.21777	15.8
279.23175	8.0
293.21249	24.1
303.23276	5.4
317.24673	5.5
329.24899	3.2
348.00101	3.3
427.32114	5.4
443.35049	9.9
445.33203	13.7
517.40778	5.0
535.41425	11.5
553.42438	22.8
566.79340	4.1
571.43427	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	571.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39278	1.4
68.98271	1.4
69.03424	2.9
69.13904	11.4
81.03410	2.5
82.99849	2.1
84.29969	1.0
84.36324	1.3
85.02917	1.6
87.89032	1.1
89.03930	7.7
97.02890	4.5
101.00878	12.8
107.04942	2.4
109.02874	3.8
113.00868	5.2
115.02434	2.0
117.03372	8.8
119.01927	17.0
121.02914	1.4
125.20797	1.2
127.02465	6.0
129.00275	1.9
129.03984	1.7
131.01907	11.5
133.03461	4.4
135.04417	15.0
139.02390	2.1
143.01897	29.9
145.02776	7.4
145.03505	10.0
146.03323	1.1
147.01387	2.1
147.03203	5.2
149.02977	1.3
155.01909	20.1
157.03482	11.5
161.02963	16.1
163.03902	100.0
164.04288	6.6
165.04321	2.6
167.01938	10.9
168.99831	3.2
169.03488	6.9
170.03688	1.5
171.01387	3.2
171.03326	3.2
171.05037	4.9
173.02983	19.4
179.01923	5.7
181.03526	1.9
181.23044	1.1
183.01390	1.4
185.02963	39.0
187.00887	4.1
187.04541	7.1
189.02632	2.0
189.04279	2.4
191.02025	1.5
191.04031	2.8
193.03448	4.2
193.05060	1.3
195.05092	2.0
196.99376	1.3
197.02959	13.8
197.04648	2.1
198.03102	1.2
199.00867	2.2
199.04518	1.9
199.16203	1.2
201.02477	2.8
203.01952	3.9
203.03999	10.3
205.03499	1.8
209.03001	4.4
211.04510	1.8
213.02449	1.6
215.00357	3.7
215.03978	7.9
217.01976	4.3
219.03423	1.8
221.02969	53.7
221.04935	2.8
222.03207	3.3
223.02682	9.3
227.03979	6.1
229.01938	1.6
231.03493	3.8
233.05043	1.5
235.04631	2.0
237.06088	1.6
239.04007	15.8
241.03703	2.7
245.03041	3.1
245.05074	76.7
246.05182	2.0
247.02831	1.8
249.04295	2.0
253.05559	1.8
257.02612	1.5
257.05075	21.0
258.05136	1.8
259.04730	4.4
263.03928	5.4
263.06378	9.2
265.05621	2.6
271.04385	4.3
272.04758	1.7
273.04120	7.8
275.03284	2.1
275.06100	10.5
277.05576	5.0
281.05112	12.6
283.06772	1.8
284.94940	1.2
289.04080	8.7
291.05469	3.5
293.07388	2.0
295.06616	4.8
299.03729	2.8
301.04010	4.2
303.05505	1.5
305.04901	4.0
305.07361	4.4
307.04568	5.9
308.06982	1.3
309.06409	6.3
313.05176	1.7
317.05008	10.4
319.05148	3.5
323.06363	5.5
327.07617	2.0
331.05206	2.0
335.05734	2.0
335.08640	1.8
341.07306	1.8
343.04950	1.8
347.05917	2.2
349.06116	7.7
356.63837	1.2
359.04709	2.8
361.06290	2.6
365.07300	23.5
373.09241	4.1
377.07019	7.8
379.06924	5.9
383.08347	1.6
391.07227	3.4
395.08325	8.6
396.08386	3.7
397.09613	60.2
398.09781	1.3
409.08401	2.2
415.09308	6.7
461.09296	3.5
479.10587	6.0
481.11633	2.3
491.10379	2.0
511.11511	2.0
539.12073	9.7
571.14844	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	570.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01879	1.7
56.99152	0.7
57.03436	3.4
59.71365	0.9
61.02929	4.7
65.03954	1.3
69.03437	11.5
70.67025	1.4
70.67398	1.5
70.70429	0.8
71.05006	2.2
73.02916	2.6
76.55485	0.8
77.46667	0.9
79.05466	1.1
81.03423	3.9
85.02914	73.2
86.09715	1.3
87.04482	1.3
91.03973	4.5
91.05489	100.0
97.02900	18.1
99.04444	4.0
107.04963	20.3
107.76603	0.9
109.02892	5.9
115.03941	0.9
127.03934	15.1
145.04973	29.5
161.63269	0.8
162.71756	0.8
163.06038	10.1
163.07426	1.3
184.07375	2.7
228.32686	0.8
229.08681	2.6
240.44466	1.0
343.77286	0.9
359.45441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52293	0.5
52.89481	0.5
56.75563	0.6
65.03953	0.6
69.03432	0.9
71.49127	0.8
74.71677	0.5
79.05486	1.9
85.02907	5.7
91.05476	2.5
93.07030	1.8
95.04987	1.2
95.86808	0.6
97.02897	1.7
99.04459	0.7
103.05460	2.5
105.07016	1.8
107.04955	7.2
115.05518	0.8
117.07015	1.2
119.04946	0.9
121.06512	4.3
123.04420	1.7
124.05203	1.2
127.03924	1.1
128.06226	0.9
129.07045	5.2
131.04953	2.0
131.08571	2.3
133.06503	1.1
135.08054	1.6
137.05971	3.9
138.06744	0.6
145.06491	1.4
147.04376	0.9
147.08017	1.0
148.05232	0.9
149.05977	1.7
151.03859	1.3
151.07564	4.3
152.04677	1.2
153.05484	3.3
155.07042	0.7
157.06490	4.7
159.07927	0.7
161.05991	8.5
161.09633	2.5
163.07568	4.5
165.06993	0.9
165.09113	2.1
166.06232	1.6
167.07040	20.0
167.08455	1.4
174.06790	1.5
175.07565	3.0
177.09195	3.6
179.06984	1.3
181.08601	20.1
181.10190	1.2
182.07307	0.9
183.08171	0.6
189.09117	19.2
190.07794	0.9
191.07013	1.4
193.06476	0.6
193.08524	1.1
194.07304	1.2
195.08031	1.5
197.09656	1.7
207.08282	1.2
207.10196	4.3
208.08865	0.7
219.08064	2.0
219.10028	1.2
221.06053	0.8
223.07581	2.6
223.11143	0.7
224.08238	1.3
225.09117	3.7
227.10515	0.9
235.07674	1.0
236.08493	0.9
237.09023	0.8
239.07066	1.0
239.10716	0.6
240.07729	1.2
241.08641	0.6
247.07549	1.2
251.07155	0.9
251.10753	1.5
253.08540	3.8
255.06555	0.9
255.10106	1.0
257.11734	3.2
265.08612	0.9
267.10028	1.0
268.07440	0.9
270.08783	1.0
279.10141	1.6
281.08224	0.7
283.09671	3.8
283.13275	2.7
285.11200	5.8
296.10367	1.0
297.11310	0.9
302.11343	1.6
302.44717	0.7
311.12762	2.2
315.12283	5.2
317.13913	5.7
328.13101	0.8
329.13855	1.8
331.15387	1.3
343.15372	11.9
361.16461	100.0
362.16705	2.0
373.16504	2.3
450.64490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
54.45413	0.5
61.96116	0.6
69.03426	0.7
85.02893	3.2
91.05495	1.8
95.04379	1.3
95.04980	25.5
97.02915	0.8
100.89980	0.6
105.04510	0.8
105.12195	0.6
109.02891	0.8
119.04926	4.0
121.06535	1.0
123.00790	1.6
123.04442	10.9
137.06055	0.6
141.01892	0.9
145.04935	0.8
147.04443	3.8
148.03970	0.6
150.34340	0.6
151.03917	100.0
152.04362	0.9
169.04968	1.5
175.03914	2.1
193.04977	11.0
211.06038	46.5
229.07121	11.9
229.38921	0.9
237.35477	0.6
311.46561	0.6
349.56818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	10.7
55.01857	3.9
55.05515	26.7
57.03427	3.2
57.07069	5.5
65.03951	3.7
67.05507	52.3
69.03417	3.1
69.07067	18.1
69.83215	8.0
71.05006	3.4
71.08616	2.5
79.05496	52.9
81.03444	2.5
81.07059	66.5
83.04972	4.7
83.08627	14.3
85.06536	3.4
89.06036	4.3
91.05482	42.7
93.07050	48.8
95.04974	10.5
95.08614	40.6
97.06562	4.7
97.10161	7.1
97.55160	1.4
98.20875	2.2
99.08092	3.1
103.05490	1.8
105.04519	2.3
105.07031	31.2
107.08616	26.7
109.06532	14.3
109.10161	14.3
111.08070	2.3
117.07034	16.6
119.08583	26.5
119.09381	2.4
121.06516	2.2
121.10152	27.6
123.08097	4.1
123.11749	6.0
125.09617	4.0
128.06239	3.2
129.07007	7.8
131.08589	20.4
133.08633	2.6
133.10138	21.1
135.08067	3.5
135.11694	12.0
137.09631	2.9
142.07799	3.6
143.08575	12.7
145.10132	17.9
147.08040	3.4
147.11699	12.7
149.09686	3.4
149.13284	4.4
154.07915	1.8
155.08572	5.0
156.09406	2.1
157.10124	11.1
159.11707	12.1
161.09607	1.8
161.13327	5.9
163.11261	3.9
167.08609	2.0
169.10226	7.5
171.11731	8.3
173.09618	2.1
173.13326	6.9
175.14845	3.3
177.12801	1.8
179.14246	1.7
181.10193	4.4
183.11737	7.2
185.09654	1.7
185.13240	6.1
187.14867	4.6
189.16403	2.4
195.11771	3.4
197.13255	2.9
199.14853	6.0
201.16402	2.8
209.13194	2.1
211.14851	2.6
213.16693	1.5
217.15886	2.4
235.17093	4.4
257.19144	1.7
259.20682	2.3
261.22180	3.0
273.18570	3.5
275.20132	4.8
277.21689	2.1
285.30063	2.3
291.19580	10.6
293.21298	4.4
336.49109	1.7
409.30936	2.8
423.32730	3.1
445.33231	4.9
471.34909	2.6
495.38550	2.1
515.38983	2.7
533.39972	7.0
551.40961	15.8
569.42053	100.0
569.56702	4.9
570.41772	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	569.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01881	8.0
55.02090	1.5
55.05514	44.3
57.03433	2.1
57.07080	2.0
65.03924	4.5
67.05507	43.8
69.03429	3.1
69.07069	18.1
70.12289	7.3
71.04967	4.6
75.18420	1.5
77.03921	2.1
79.05492	43.0
81.03403	7.1
81.06602	2.7
81.07056	45.7
82.52119	1.8
83.04987	10.4
83.08620	32.1
85.02879	1.8
85.06537	3.9
91.04908	2.8
91.05479	52.0
93.06486	3.2
93.07047	48.6
95.04969	30.2
95.08607	33.9
97.06524	9.1
97.10160	6.4
98.21392	2.4
105.07031	51.3
107.04942	10.7
107.08590	34.0
109.06497	7.2
109.10164	16.6
111.08067	7.1
117.07026	18.1
118.94257	1.7
119.08582	46.6
119.83184	2.4
120.09357	2.9
121.06493	6.3
121.10144	22.3
123.08071	7.2
123.11688	4.0
125.09603	6.8
128.06302	2.4
129.06984	7.3
130.07764	2.4
131.08572	23.9
133.10139	40.9
135.08044	6.1
135.11690	17.0
137.09613	6.0
139.11185	2.5
141.06955	4.1
143.08537	8.9
145.09061	2.9
145.10118	30.0
147.08078	4.0
147.11688	26.9
149.09615	30.4
149.13237	8.8
151.11168	6.6
155.08533	5.6
157.10118	6.2
159.08131	2.6
159.11673	18.5
161.13284	13.9
163.11177	33.5
165.12744	7.0
169.10127	6.2
171.10458	1.6
171.11636	9.3
173.09616	4.8
173.13292	10.0
175.11226	3.9
175.14824	3.5
177.12714	4.5
181.10156	1.9
183.11664	8.2
185.13239	4.9
187.11212	3.9
189.11179	2.1
197.13232	6.9
199.14755	2.1
201.16316	2.1
215.14369	2.1
223.13255	16.2
229.19489	4.2
233.15408	2.8
239.17940	12.1
247.16956	2.2
247.20532	2.7
257.19049	14.6
259.20630	10.5
275.20056	100.0
276.20776	7.5
277.21619	21.4
293.21088	22.5
301.21631	3.7
315.23132	1.7
347.26978	1.7
423.32150	2.3
441.33490	6.5
443.31464	2.8
533.39990	2.7
551.40479	6.7
569.41937	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	569.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51466	0.8
52.46198	0.7
53.03953	4.0
55.01870	2.9
55.05512	8.4
56.90321	0.8
57.03430	1.3
57.07064	2.6
65.03936	2.3
65.36911	0.8
67.05506	36.6
68.05853	1.3
69.03444	1.9
69.07069	4.9
69.45116	4.3
69.45524	2.2
70.06594	1.5
71.04984	0.8
77.03919	0.8
79.05496	52.6
81.03378	1.2
81.07059	100.0
82.07398	0.9
83.04991	4.5
83.08620	2.9
83.63786	0.8
85.02900	0.9
85.06551	1.6
85.10154	1.5
88.07640	1.8
91.05483	23.5
93.07050	40.9
94.07378	1.8
95.04979	9.4
95.08606	11.5
96.05296	1.1
96.08942	1.4
97.06525	1.2
97.10182	1.7
98.20793	1.8
103.05458	1.0
105.04512	1.8
105.07034	23.9
106.07368	1.8
107.04945	2.5
107.08594	48.2
108.08942	0.9
109.06522	42.0
109.10162	4.6
110.10545	1.0
111.08101	2.1
115.05482	1.6
116.06219	0.9
117.07018	8.3
119.08583	20.7
120.08905	1.5
121.06522	2.5
121.10150	40.0
122.10497	0.9
123.08085	8.8
123.11742	1.1
125.09635	3.4
128.06206	2.0
129.07022	6.5
130.07779	1.9
131.08568	43.2
133.06366	0.8
133.08617	0.9
133.10135	10.7
134.10417	1.1
135.08069	2.0
135.11691	7.4
137.09608	1.6
141.06975	2.4
142.07793	1.9
143.08568	8.8
144.09016	1.5
145.10141	14.6
146.10464	1.6
147.08084	1.9
147.11674	7.5
149.09624	49.7
149.13275	1.6
151.11172	1.5
155.08542	2.4
156.09299	1.9
157.10138	6.5
158.10507	1.4
159.08012	1.0
159.11676	5.8
160.12036	1.0
161.09628	1.3
161.13254	3.0
163.11166	6.2
165.12753	3.2
167.08539	1.8
167.10687	24.9
168.09425	0.9
169.10127	3.8
170.10899	1.5
171.11691	7.9
172.12112	2.2
173.13229	4.3
174.13667	0.9
175.11189	1.3
175.14880	1.7
181.10115	1.8
181.12227	2.5
183.11670	3.4
185.13268	3.1
186.13690	1.9
187.11217	1.6
187.14751	2.0
189.12764	2.4
191.10696	4.2
191.14355	1.1
193.12086	1.1
195.11719	2.9
196.12180	1.7
197.13202	4.2
198.13791	1.9
199.11316	1.4
199.14893	2.5
201.16435	1.3
207.11903	1.1
209.13277	3.2
210.13663	0.9
211.14809	2.2
213.12856	1.3
213.16386	2.4
223.14711	1.3
225.16493	1.2
227.17979	3.7
235.14699	1.0
237.16426	4.4
241.19426	1.0
249.16522	1.1
255.17499	9.5
273.18555	9.6
277.21796	2.0
284.29471	1.9
291.19540	31.6
311.29520	2.6
312.29776	2.0
339.26462	2.4
431.32626	1.2
477.36560	1.6
533.39465	1.0
551.40735	1.4
568.57086	1.2
569.42737	6.9
569.56799	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	569.223
Annotation	Citrusin B
Peak:m/z	Relative Intensity
54.99024	3.1
55.01875	15.9
65.03950	3.8
66.31320	3.2
69.03421	3.6
71.48914	4.9
75.42236	3.2
79.05513	5.3
81.07077	3.0
85.02908	11.9
91.05477	7.8
95.04974	8.6
96.50016	2.9
103.05475	11.3
107.04941	12.5
109.02841	4.8
110.03649	6.0
117.07044	5.1
121.06528	3.0
122.03603	4.3
123.04448	5.6
125.06039	4.5
127.03889	4.2
129.07008	10.5
131.04942	17.5
137.05983	37.6
142.02603	4.8
144.68088	3.6
145.06421	4.1
149.05991	7.5
150.26096	2.9
151.03905	12.3
151.07556	5.7
157.06471	8.2
161.05981	8.6
163.07529	7.1
164.68794	3.3
167.07045	19.2
175.07576	9.1
177.05481	25.8
181.04964	100.0
183.85126	3.2
189.09145	12.7
205.08549	6.4
209.08101	20.2
217.08572	5.9
221.06238	3.7
235.09779	15.3
244.63881	3.5
277.08765	3.3
371.14978	19.9
381.76950	3.2
389.16003	95.7
407.16983	8.4
509.58209	3.6
522.57788	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	569.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31972	0.8
51.02382	0.9
53.03940	5.4
55.01872	1.3
63.10012	0.9
67.05491	3.1
67.32391	0.9
69.03419	2.8
71.01347	1.7
71.10410	2.1
77.03931	2.9
79.05499	12.1
81.03426	7.3
81.07043	4.6
85.02905	2.1
91.05469	3.9
91.77724	1.0
93.07037	3.5
95.04970	64.6
97.02905	10.0
103.05476	4.8
105.03394	1.3
105.04526	2.2
105.07005	1.0
107.04959	66.7
109.02879	33.0
109.06503	2.7
121.06496	8.9
123.04432	18.0
125.01488	1.8
125.02361	27.9
125.05976	4.0
127.03905	3.8
131.04909	2.7
133.02850	2.5
135.04401	4.3
145.05002	1.0
147.04373	1.0
149.05983	15.8
151.03906	100.0
153.05466	10.6
159.04430	2.7
167.07054	2.3
172.53339	0.9
177.05469	26.7
195.06541	61.6
213.07570	26.9
321.09717	1.2
333.14517	0.9
339.10635	2.3
357.11890	2.0
364.91318	1.1
550.89410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.5
53.03940	4.3
57.75443	1.4
60.86844	1.1
61.76538	1.1
62.18599	1.1
67.05494	2.7
69.03423	3.9
69.97119	5.4
71.01367	1.6
77.00960	1.2
79.05499	10.4
81.03425	6.4
81.07061	3.1
85.02905	2.1
85.17493	1.4
91.05461	3.7
93.07046	3.9
95.04980	74.2
97.02901	9.5
100.78448	1.2
103.05466	5.4
105.04527	2.2
107.04967	67.4
109.02894	30.3
109.06516	2.3
109.93053	1.4
121.06515	8.9
123.04427	15.0
125.02361	29.7
125.06001	5.6
127.03927	3.6
131.04919	2.8
133.02809	2.8
135.04451	4.2
137.05948	1.3
147.04341	1.5
149.05984	16.6
151.03918	100.0
153.05469	9.1
159.04401	3.9
161.06013	1.6
162.02094	1.4
167.07034	1.8
177.04054	2.2
177.05476	24.9
195.06546	65.9
205.79141	1.2
213.07588	29.4
262.56366	1.2
295.08139	1.3
336.22205	1.2
339.10788	4.1
357.11569	2.6
361.37634	1.5
433.78754	1.5
448.64569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48216	1.8
53.03942	3.5
67.05522	2.3
69.03419	2.5
69.57475	13.7
79.05494	10.7
81.03418	2.9
81.07051	2.7
91.05478	4.6
93.07018	3.4
95.04973	64.6
97.02891	10.1
98.21462	3.6
103.05484	4.7
107.04963	70.1
109.02890	31.8
109.06490	3.1
121.06516	8.4
123.04444	15.1
125.02351	33.1
125.05993	3.1
127.03924	2.6
131.04912	5.3
135.04411	4.8
140.93401	2.1
149.05956	19.4
151.03917	100.0
153.05455	14.7
159.04410	3.3
177.05478	26.7
195.04752	4.1
195.06541	67.6
213.07559	26.5
221.17355	2.0
271.93820	2.1
339.10681	3.7
554.33807	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	569.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02363	0.6
65.03915	0.7
67.05484	1.0
68.98274	0.6
69.03438	0.5
69.20605	2.4
69.21040	0.4
78.49746	0.3
79.05492	1.4
82.99834	0.3
83.04955	0.7
85.02884	0.4
89.03918	7.5
93.03369	0.3
95.04980	2.2
101.00875	1.0
107.04968	2.5
109.01369	0.6
111.04417	0.5
113.00883	0.3
115.02417	0.4
117.03381	10.4
119.01890	1.0
121.02857	2.5
127.02420	5.6
129.03981	0.8
131.01918	0.6
133.03442	0.5
135.04416	18.5
139.03882	0.5
141.03917	0.5
143.01855	0.8
143.05508	0.5
145.02760	9.5
145.03517	9.0
146.03557	0.4
147.01373	0.3
151.02419	0.7
153.00279	0.4
153.03951	1.1
155.01846	0.8
157.03438	0.6
159.04999	0.5
161.02898	0.5
163.03900	100.0
164.04234	1.2
167.05414	0.3
169.03464	15.5
171.01399	1.6
171.05031	3.8
173.02969	1.1
175.02251	0.4
179.01910	0.7
181.03436	0.5
183.05051	0.3
185.00963	1.3
185.02948	0.5
187.04518	10.0
189.02359	0.4
189.06049	0.6
191.01912	1.1
193.03477	2.9
195.05058	3.6
197.02965	4.7
197.06625	0.6
203.01883	4.2
203.05450	0.4
205.03526	0.5
207.05106	0.5
209.02968	2.9
209.06593	0.3
211.04544	1.6
211.08124	0.4
213.02472	0.6
213.06105	1.5
215.03970	3.2
219.05020	1.6
221.02956	52.1
221.06564	2.7
222.03174	1.0
223.04607	2.1
223.07942	0.4
225.06110	0.6
233.05020	0.5
235.04539	0.4
237.06079	2.7
239.04007	10.1
239.07726	1.2
241.05591	0.5
243.05095	0.7
244.04504	0.5
245.02849	0.8
245.04955	0.5
247.04539	5.9
249.02432	0.5
249.06194	0.6
251.06099	0.8
255.07256	1.2
257.05075	8.4
259.04553	0.9
261.06213	1.4
263.03952	2.6
265.05591	4.9
267.07275	0.6
269.07309	0.3
271.04510	25.4
272.04691	0.7
273.03149	0.4
273.06116	2.1
275.06152	1.3
277.05603	1.9
279.07156	0.9
281.05145	2.0
283.06717	3.7
285.06348	0.4
287.04037	2.0
287.06946	0.4
289.05573	11.0
289.08801	0.7
291.04007	0.5
291.07123	1.8
293.04874	0.7
295.03909	0.5
295.07059	1.6
297.02652	0.5
297.05762	0.7
299.03934	3.9
299.06525	0.3
301.07745	3.4
303.05469	2.3
305.05096	2.2
305.08679	0.8
307.06628	24.9
308.07047	0.5
309.08237	1.6
311.06155	1.0
313.05502	1.9
315.03510	1.2
315.06860	1.4
317.04880	1.8
323.03925	1.7
323.06567	0.9
323.09900	0.7
325.07663	8.6
325.11572	0.4
327.05573	2.7
327.09088	0.4
329.07285	0.8
331.06662	2.4
333.04559	1.0
333.08160	1.2
335.06128	3.9
341.05072	1.1
343.08847	1.9
345.06662	2.2
345.10422	0.7
349.07672	5.5
351.05582	0.5
353.07233	3.4
359.06033	1.5
361.09668	1.8
363.07806	1.6
367.08740	1.3
371.08246	12.1
377.07187	18.6
378.07523	0.3
389.09396	7.7
395.08231	91.2
396.08524	1.5
407.10266	1.0
412.11337	0.4
413.09296	18.0
418.09888	0.6
436.10867	1.6
463.10764	2.2
551.12885	1.9
569.13531	14.1
570.14026	0.4
587.14294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03927	3.8
55.05520	11.5
57.07082	9.1
59.04994	2.1
67.05508	19.0
69.03445	2.4
69.07070	15.9
70.06572	2.5
71.08628	1.6
76.38294	1.6
79.05076	2.1
79.05499	26.8
80.06273	3.2
81.07063	38.3
83.04961	4.1
83.08616	7.8
85.06539	4.1
88.07617	4.8
91.05481	43.1
92.06264	3.3
93.06491	2.7
93.07051	49.0
93.07636	2.7
94.07841	2.1
95.04974	37.0
95.08613	26.7
97.06541	3.9
102.09169	3.5
103.05469	3.3
105.04490	3.0
105.07034	83.3
106.07841	3.3
107.08604	47.0
109.06528	4.6
109.10165	17.9
111.14018	1.5
115.05472	3.9
116.06264	3.1
117.07028	26.7
119.08589	100.0
120.09406	9.9
121.06491	4.5
121.10144	30.6
123.08080	17.2
123.11707	5.0
125.09647	2.3
128.06238	10.8
129.07022	17.5
130.07809	9.7
131.08578	51.8
132.09412	8.5
133.10144	59.0
134.10872	5.1
135.08038	6.5
135.11717	17.3
137.09621	5.5
138.10382	6.5
139.11174	2.5
141.06990	6.9
142.07784	17.9
143.08577	39.2
144.09357	15.1
145.10127	88.4
146.10886	3.1
147.11687	25.8
149.09633	6.1
149.13257	4.6
151.11159	3.4
153.07033	2.6
155.08554	18.9
156.09351	22.1
157.10136	48.4
158.10915	10.7
159.11702	41.8
160.12444	2.0
161.09608	7.0
161.13219	7.1
163.11162	5.0
165.06981	5.2
166.07863	2.2
167.08556	10.4
168.09315	7.1
169.10139	30.3
170.10977	7.9
171.11697	32.9
172.12456	5.6
173.13275	31.1
175.11113	1.8
175.14836	19.6
177.12733	6.1
179.08531	11.3
180.09283	5.1
181.10115	17.1
182.10956	7.8
183.11700	29.1
184.12451	6.5
185.13261	29.0
186.14000	4.9
187.14864	15.7
189.12703	3.5
191.14273	9.0
192.09351	2.8
193.10144	7.5
194.10933	10.1
195.11685	20.9
196.12480	9.6
197.13293	28.1
198.14024	5.5
199.14828	10.5
201.12685	4.6
201.16399	7.5
205.10158	1.9
206.10869	2.4
207.11714	8.8
208.12480	4.5
209.13289	22.1
210.14009	4.1
211.14856	15.8
213.16341	5.7
215.14308	1.9
217.15816	4.9
219.11720	3.1
219.17407	2.1
220.12444	2.9
221.13342	9.9
222.13992	4.0
223.14781	11.3
224.15591	4.2
225.16342	8.9
226.17159	2.0
227.14322	2.2
227.17911	3.0
231.11620	2.1
233.13094	2.8
235.14838	8.7
237.16301	7.7
238.16982	3.2
239.17915	3.8
245.13286	2.7
247.14767	4.0
249.16383	5.4
251.18045	3.1
257.19119	3.3
258.19562	2.4
259.20569	3.8
261.16299	2.5
263.18057	3.9
265.19611	2.9
267.17438	2.1
267.21219	3.0
270.19861	1.8
272.21405	2.7
277.19482	3.5
279.21054	3.1
283.20605	2.5
283.26291	3.3
284.29407	7.8
285.21942	2.4
295.20346	2.1
297.22040	3.5
305.22681	2.6
311.29434	7.5
319.24377	1.8
323.23682	7.4
337.25241	3.9
338.26038	37.2
349.25290	2.7
351.26904	2.5
430.32364	13.7
476.36487	13.6
568.42816	25.9
568.56531	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61749	1.7
52.80845	2.0
53.03938	5.3
55.05514	11.6
57.01424	2.2
57.07076	13.9
65.03946	2.8
67.05190	1.9
67.05513	24.0
68.74540	2.0
69.07084	14.9
69.91924	3.2
69.92322	8.3
70.06591	5.4
71.05001	1.9
71.08634	4.8
79.05082	2.2
79.05506	27.9
80.06274	3.6
81.07063	42.0
82.07384	2.0
83.04984	3.1
83.08601	8.4
84.54070	1.8
85.06561	2.6
85.10161	2.8
88.07622	7.6
88.46500	2.3
91.05482	47.5
92.06259	4.0
93.07045	55.9
94.07883	3.3
95.04974	33.0
95.08610	26.9
97.06532	3.8
97.10099	2.2
102.09164	7.4
103.05489	4.5
105.04528	2.4
105.07042	92.9
106.07846	4.1
107.04985	2.6
107.08604	44.2
109.06496	6.1
109.10162	21.5
109.42588	1.9
111.08076	2.5
115.05456	7.6
117.07037	27.5
118.07771	3.6
118.98544	2.0
119.08588	100.0
120.09385	9.9
121.10149	32.8
123.08089	14.9
123.11695	6.5
125.09634	3.5
128.06241	12.6
129.07013	18.6
130.07785	8.8
131.08582	53.2
132.09380	13.6
133.06528	2.4
133.10139	61.7
134.10889	9.1
135.08067	5.9
135.11720	19.4
137.09621	6.8
138.10410	7.4
139.11201	4.3
141.06995	8.9
142.07787	20.2
143.08571	45.9
144.09398	16.4
145.10133	97.9
146.10847	6.7
147.08040	3.1
147.11703	32.0
148.08958	2.1
149.09621	6.6
149.13274	4.9
151.11168	3.5
153.06982	2.7
154.07800	5.0
155.08565	17.6
156.09369	15.1
157.10141	53.7
158.10925	17.0
159.11703	36.6
160.12462	5.0
161.09608	6.0
161.13268	8.9
163.14867	3.2
165.06944	5.1
167.08516	9.4
168.09334	7.5
169.10143	25.4
170.10927	9.5
171.11688	42.1
172.12440	6.5
173.13290	29.8
175.11133	3.4
175.14818	19.7
177.12778	5.7
179.08559	10.3
180.09282	3.2
181.10126	16.6
182.10918	8.7
183.11697	32.0
184.12415	6.9
185.13278	25.9
186.13974	6.6
187.14793	13.6
189.12743	5.1
191.14307	12.2
192.15079	2.1
193.10120	6.2
193.15967	2.2
194.10905	7.2
195.11659	17.5
196.12430	9.1
197.13274	27.0
198.13997	7.1
199.14848	11.9
201.12804	3.6
201.16495	9.6
203.14243	3.7
206.10983	3.6
207.11688	10.3
208.12483	5.0
209.13257	29.2
210.13940	3.7
211.14821	17.5
213.16386	7.5
217.15947	9.4
219.11626	4.4
219.17390	3.0
220.12471	2.2
221.13196	10.1
222.13951	3.9
223.14806	11.7
224.15543	5.6
225.16309	9.6
226.16997	2.3
227.14262	3.0
227.17973	3.2
233.13239	3.3
235.14815	7.2
237.16380	8.7
239.14240	2.0
239.17963	6.1
241.19490	3.7
245.13091	3.2
247.14888	5.1
249.16347	5.9
251.17882	4.2
252.18578	2.5
257.19022	7.2
258.19611	3.0
259.20496	4.6
261.16315	4.6
263.18011	4.3
264.18747	2.7
265.19620	3.9
267.17599	2.3
267.20679	2.7
275.17789	3.4
277.19522	3.8
281.19025	3.0
283.20499	2.2
283.26236	5.5
284.29428	16.5
289.19684	2.4
297.22098	2.7
305.22375	2.2
311.29498	14.8
312.32666	3.0
323.23740	5.2
338.26035	42.4
349.25473	2.6
420.30554	4.9
430.32367	13.4
476.36481	17.0
568.43066	24.5
568.56653	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
54.12298	2.0
55.05517	18.2
57.07085	14.0
65.03951	3.0
67.05506	22.8
69.03443	2.5
69.07067	16.2
69.18273	21.4
70.06590	7.3
71.08640	6.5
71.52430	2.4
72.36678	2.1
79.05493	31.4
80.06264	4.3
80.93098	2.3
81.07058	47.1
83.04984	4.5
83.08628	14.9
84.84100	2.0
85.06538	2.3
88.07655	6.2
89.06046	3.3
91.05479	54.9
93.06483	4.3
93.07043	49.2
95.04970	34.8
95.08609	31.3
97.10154	5.5
102.09188	9.5
103.05481	3.3
105.07039	87.5
106.07327	3.6
107.04933	4.3
107.08587	40.9
109.06530	6.3
109.10160	21.3
115.05457	6.4
117.07017	28.1
119.08585	100.0
120.09431	3.8
121.06506	3.5
121.10152	29.8
123.08061	14.1
123.11711	8.3
128.06230	8.5
129.07014	19.1
130.07782	8.6
131.08569	50.3
132.09433	12.3
133.10138	59.7
134.10777	3.9
135.08061	6.7
135.11720	16.3
137.09648	5.2
138.10406	5.4
141.07021	8.5
142.07767	15.8
143.08566	39.4
144.09396	15.0
145.10130	91.0
146.10716	6.9
147.11700	27.7
148.12115	3.2
149.09645	6.6
149.13226	6.5
151.11205	4.4
153.06931	3.5
154.07738	3.4
155.08566	16.7
156.09366	20.3
157.10130	48.6
158.10942	9.3
159.11696	38.7
160.12383	2.9
161.09595	6.2
161.13274	9.4
163.11220	4.4
165.06984	3.9
167.08606	6.7
168.09319	6.7
169.10150	28.8
170.10907	6.8
171.11705	34.4
171.87306	2.3
172.12407	7.4
173.13268	23.9
175.11322	3.0
175.14848	18.0
177.12744	6.6
179.08611	8.4
180.09242	3.1
181.10188	15.5
182.10921	9.3
183.11676	23.3
184.12407	6.5
185.13269	23.9
186.13989	8.1
187.14853	12.1
191.14310	12.0
192.15004	2.5
193.10156	7.2
194.10881	8.0
194.12537	2.7
195.11673	18.1
196.12489	10.1
197.13257	24.6
198.14001	6.2
199.14861	11.6
201.12752	3.7
201.16435	8.4
203.14389	3.2
206.10939	4.3
207.11687	10.7
208.12494	3.7
209.13290	21.5
211.14833	18.1
213.16408	6.8
217.15970	4.6
221.13217	7.0
222.14006	3.4
223.14873	10.9
224.15617	5.3
225.16411	9.9
226.17188	3.3
231.17404	3.3
233.13190	3.8
235.14815	6.4
237.16388	8.9
238.16866	3.2
239.17912	6.5
243.17444	2.8
246.13884	3.1
247.14963	2.9
249.16321	4.1
251.17886	3.0
253.19527	2.8
257.19113	4.6
258.19324	3.0
259.20523	3.1
261.16293	3.2
263.17944	5.5
265.19431	5.4
267.21091	3.0
270.40775	2.5
275.20184	11.9
276.20581	13.6
279.20990	3.7
283.20633	3.2
283.26337	7.1
284.29437	20.3
285.22217	2.9
297.22122	4.4
311.29443	18.5
312.32574	6.9
323.23691	7.1
337.25366	3.3
338.26031	38.1
349.25543	3.2
361.25351	2.8
430.32358	10.6
476.36536	11.4
568.42767	26.5
568.56586	51.2
569.43469	3.2
580.23352	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03944	5.0
55.05514	11.3
57.07081	6.8
59.05008	2.0
62.93428	1.3
65.03956	2.0
67.05506	14.6
69.03419	2.2
69.07059	12.3
70.75287	2.8
70.75610	1.2
72.62675	1.4
77.03947	1.7
79.05497	23.5
80.06277	4.6
81.07059	34.2
83.04975	4.1
83.08615	5.8
85.06548	3.3
91.05479	41.5
92.06237	2.8
93.07047	47.9
95.04964	35.0
95.08604	23.6
95.35986	1.4
97.06477	1.7
103.05463	4.0
105.04491	1.8
105.07031	82.4
106.07829	3.6
107.08595	45.8
109.06529	4.8
109.10160	17.8
111.08092	2.0
115.05473	5.9
116.06260	2.7
117.07022	26.2
118.07866	3.2
119.08582	100.0
120.09412	8.7
121.06519	2.4
121.10149	31.3
123.08075	14.5
123.11716	6.2
125.09599	1.7
128.06215	10.4
129.07016	16.7
130.07788	9.1
131.08577	50.3
132.09358	11.5
133.10130	53.6
134.10941	6.5
135.08058	5.8
135.11681	16.6
137.09633	7.6
138.10414	9.2
139.11189	2.1
141.07010	6.4
142.07782	19.1
143.08559	39.2
144.09357	15.1
145.10126	84.4
146.10927	5.9
147.08092	2.2
147.11682	23.1
148.12498	1.5
149.09645	6.6
149.13264	3.5
151.11156	3.5
153.07022	2.8
154.07759	2.5
155.06032	1.7
155.08556	13.7
156.09346	17.5
157.10133	48.2
158.10918	10.8
159.08031	1.8
159.11702	42.1
160.12436	4.2
161.09674	3.9
161.13248	8.9
163.11180	3.8
165.07040	4.7
166.07803	2.6
167.08627	5.9
168.09317	5.7
169.10130	25.4
170.10980	8.6
171.11688	33.9
172.12468	7.3
173.09610	2.1
173.13268	26.4
174.14038	1.7
175.11206	2.2
175.14827	21.6
177.12790	5.5
179.08545	8.7
180.09341	2.9
181.10150	15.7
182.10991	9.5
183.11699	24.7
184.12497	5.9
185.13239	26.6
186.14046	8.8
187.14827	15.7
189.12782	4.4
191.14308	7.2
192.09349	2.2
192.15161	3.2
193.10167	7.1
193.15950	1.7
194.10876	6.6
195.11678	18.6
196.12457	8.6
197.13264	28.6
198.14021	7.1
199.14818	14.6
200.15593	2.0
201.12799	5.3
201.16405	8.4
203.14365	5.0
205.10194	1.4
205.15863	2.0
206.10933	3.9
207.11749	11.5
208.12508	5.3
209.13257	26.8
210.14088	5.3
211.14803	19.1
212.15553	2.4
213.16293	6.3
215.14340	2.4
217.15848	5.3
218.16521	1.6
219.11664	2.7
219.17441	3.7
220.12509	2.1
221.13260	9.5
222.14073	2.9
223.14815	9.6
224.15581	2.9
225.16396	8.1
226.17133	1.9
227.14299	3.1
227.17772	1.8
229.16010	2.3
230.16791	1.9
231.17365	1.9
232.12508	3.0
233.13275	3.3
234.13933	2.1
235.14832	8.0
236.15482	1.9
237.16441	9.3
238.17206	1.8
239.17958	5.9
241.19640	3.4
245.13298	2.2
246.19943	1.5
247.14789	2.8
249.16388	5.2
251.17903	2.8
253.19604	3.6
255.17480	2.6
257.19006	2.9
259.14883	2.2
259.20578	2.5
261.16446	3.5
262.17337	2.4
263.17868	3.4
265.19601	7.9
267.17355	1.4
267.21027	1.6
271.20465	1.7
275.17960	3.0
277.19443	3.2
278.19998	1.7
279.21176	2.1
281.18933	2.5
283.20688	2.0
285.22183	3.9
289.19473	3.1
296.42154	1.3
297.22043	3.0
305.22562	2.7
311.29544	1.9
319.20618	1.5
321.21713	1.5
323.23712	8.7
324.24680	1.7
335.23599	2.0
337.25345	2.6
338.26044	48.8
349.25378	3.1
351.26834	2.7
375.26965	1.9
393.47699	1.7
408.42722	1.7
415.30075	2.0
420.29980	2.1
429.10251	2.0
429.31586	2.3
430.32178	14.4
452.88486	1.3
476.36517	16.2
568.42773	26.6
568.56445	5.0
571.85565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
57.03432	10.8
58.63902	6.3
60.55405	5.7
67.05508	9.2
69.03434	33.2
69.07074	18.1
71.04980	22.7
71.49848	8.5
71.50259	8.8
73.02938	16.7
79.05518	33.0
81.03450	8.2
81.07067	83.4
85.02908	67.1
87.04444	7.3
91.05495	21.6
93.07059	48.4
95.08614	33.0
97.02889	47.3
103.05479	7.3
105.07048	49.6
107.04974	8.3
107.08640	50.8
109.02914	10.7
109.10184	34.4
115.03947	22.7
117.07014	16.4
119.08598	85.2
121.10182	13.1
123.11718	13.2
127.03938	18.4
127.11209	29.2
133.04976	33.7
133.10167	39.9
135.11705	100.0
137.05977	46.1
143.04958	7.2
143.10646	33.9
145.04991	28.2
145.06512	12.7
147.04449	8.7
147.11717	29.3
149.13356	7.7
151.04019	7.6
151.07648	6.4
152.10764	7.7
153.05496	6.8
153.12770	8.5
160.05150	6.9
161.06021	7.7
161.13300	19.0
163.03889	6.4
163.06062	18.5
167.07053	42.1
168.07281	6.7
173.05974	21.6
175.07581	43.9
184.07477	7.1
186.92444	6.7
187.07594	24.1
191.06990	10.2
203.17972	70.3
205.08591	31.8
217.08612	20.4
221.19058	76.7
235.09624	22.7
235.46248	6.5
236.08286	6.8
239.16626	7.5
241.07153	7.6
244.09712	59.9
247.09660	6.2
259.08179	28.6
265.08243	7.6
265.10730	11.5
295.10202	22.8
299.09982	11.3
312.06906	7.6
340.12430	13.6
371.15085	19.2
373.14169	9.6
406.15195	9.5
415.59119	7.5
568.28094	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	568.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45107	0.4
59.73483	0.5
67.05508	0.9
69.35847	3.8
79.05484	0.7
81.07070	0.6
85.02903	0.5
87.13627	0.4
91.05463	1.6
93.07043	0.6
95.08591	0.5
105.07039	0.8
107.04942	1.3
112.59220	0.5
117.06976	0.7
119.04954	1.0
119.08563	0.6
121.06496	2.7
123.08030	0.6
131.04961	0.7
131.28587	0.6
133.02853	1.1
133.06506	0.9
134.07245	0.5
135.08044	2.0
136.05182	0.9
137.05968	0.7
145.06529	0.4
146.07268	1.0
147.04396	3.4
147.08052	2.2
148.05234	0.6
149.05965	1.4
149.09628	1.0
151.07552	3.3
153.05495	2.7
154.06149	0.7
161.05994	1.2
162.06767	2.5
163.07550	4.1
165.05443	1.9
166.06239	4.6
167.07010	0.9
168.07813	7.2
175.07326	0.5
177.09097	3.8
178.08406	0.8
178.09903	11.4
179.07034	5.5
181.08588	18.4
184.07349	0.6
194.09386	14.4
209.11736	100.0
210.12029	1.0
229.24159	0.5
235.13307	2.3
260.15530	0.5
554.53290	0.5
568.32275	0.6
569.29028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45107	0.4
59.73483	0.5
67.05508	0.9
69.35847	3.8
79.05484	0.7
81.07070	0.6
85.02903	0.5
87.13627	0.4
91.05463	1.6
93.07043	0.6
95.08591	0.5
105.07039	0.8
107.04942	1.3
112.59220	0.5
117.06976	0.7
119.04954	1.0
119.08563	0.6
121.06496	2.7
123.08030	0.6
131.04961	0.7
131.28587	0.6
133.02853	1.1
133.06506	0.9
134.07245	0.5
135.08044	2.0
136.05182	0.9
137.05968	0.7
145.06529	0.4
146.07268	1.0
147.04396	3.4
147.08052	2.2
148.05234	0.6
149.05965	1.4
149.09628	1.0
151.07552	3.3
153.05495	2.7
154.06149	0.7
161.05994	1.2
162.06767	2.5
163.07550	4.1
165.05443	1.9
166.06239	4.6
167.07010	0.9
168.07813	7.2
175.07326	0.5
177.09097	3.8
178.08406	0.8
178.09903	11.4
179.07034	5.5
181.08588	18.4
184.07349	0.6
194.09386	14.4
209.11736	100.0
210.12029	1.0
229.24159	0.5
235.13307	2.3
260.15530	0.5
554.53290	0.5
568.32275	0.6
569.29028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.05515	21.1
57.07079	5.7
65.03943	5.3
67.05512	37.8
69.03416	2.4
69.07087	20.5
69.31741	19.0
77.03890	3.1
79.05499	34.4
81.03416	3.2
81.07061	56.8
83.04987	3.2
83.08627	11.4
85.06548	3.5
91.05485	56.0
93.06490	5.2
93.07051	65.7
95.04984	11.5
95.08624	46.2
97.06544	2.3
97.10146	3.6
103.05441	3.3
105.07041	100.0
105.91293	2.5
107.08604	48.8
109.06514	4.9
109.10172	35.9
115.05453	4.0
117.07021	25.5
119.06031	2.3
119.08591	88.6
121.06488	3.4
121.10150	52.4
123.08066	5.9
123.11711	15.6
128.06252	12.3
129.07030	13.1
130.07790	8.7
131.08575	43.9
133.10146	52.5
134.10492	3.6
135.08037	6.2
135.11714	29.7
137.09596	6.7
141.06981	8.9
142.07785	11.4
143.08575	30.1
144.09344	7.8
145.10133	63.6
146.10420	3.1
147.08049	5.5
147.11705	24.4
149.09607	4.6
149.13269	7.0
151.11195	2.9
153.06943	5.0
154.07713	3.0
155.08549	17.6
156.09335	10.1
157.10168	34.7
158.10835	6.5
159.11705	34.0
159.95630	2.8
161.09619	3.6
161.13298	13.9
163.11195	6.5
163.14796	3.0
165.07039	4.6
166.07732	3.3
167.08591	6.5
168.09320	5.3
169.10127	24.0
170.10916	4.3
171.11678	24.1
173.09627	2.8
173.13278	23.2
175.11234	4.0
175.14839	22.2
178.47632	2.2
179.08568	7.6
180.09335	4.4
181.10080	13.6
182.10951	4.7
183.11707	22.3
185.13293	13.9
187.11095	3.4
187.14796	17.8
189.12749	2.8
189.16429	2.6
191.08685	2.9
191.14337	4.6
192.09360	5.5
193.10188	11.2
194.10924	4.6
195.11728	17.3
196.12477	4.2
197.13251	16.3
199.11134	4.5
199.14781	11.3
201.12592	2.5
201.16420	7.1
202.40135	2.3
203.14371	3.7
205.10150	3.5
205.15852	2.7
206.10912	2.9
207.11662	12.2
208.12445	4.3
209.11612	3.1
209.13292	17.6
211.14856	11.6
213.12869	2.4
213.16379	6.1
214.57233	2.7
217.10136	6.0
217.15942	2.5
219.11732	5.8
221.13249	9.8
223.14798	9.9
225.16447	5.8
231.11844	3.2
232.12511	3.9
233.13231	6.7
235.14861	7.0
237.16417	5.4
238.59987	2.5
239.17880	4.7
243.11652	3.1
245.13301	4.2
246.14008	4.4
247.14832	5.6
249.16364	7.9
251.18073	3.5
253.19633	4.9
257.19006	8.4
259.14935	5.5
261.16443	5.3
264.69894	2.5
265.19507	4.4
267.21170	5.9
273.18857	3.3
275.17599	4.1
275.20184	6.2
277.19522	3.9
289.19696	2.6
293.18793	2.8
296.15207	2.9
315.23151	2.5
317.23026	2.4
343.62817	2.7
349.25269	3.4
373.25464	2.5
383.26788	3.5
427.29779	4.6
429.31680	3.6
531.39276	4.8
549.40643	20.2
567.41663	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.05515	21.1
57.07079	5.7
65.03943	5.3
67.05512	37.8
69.03416	2.4
69.07087	20.5
69.31741	19.0
77.03890	3.1
79.05499	34.4
81.03416	3.2
81.07061	56.8
83.04987	3.2
83.08627	11.4
85.06548	3.5
91.05485	56.0
93.06490	5.2
93.07051	65.7
95.04984	11.5
95.08624	46.2
97.06544	2.3
97.10146	3.6
103.05441	3.3
105.07041	100.0
105.91293	2.5
107.08604	48.8
109.06514	4.9
109.10172	35.9
115.05453	4.0
117.07021	25.5
119.06031	2.3
119.08591	88.6
121.06488	3.4
121.10150	52.4
123.08066	5.9
123.11711	15.6
128.06252	12.3
129.07030	13.1
130.07790	8.7
131.08575	43.9
133.10146	52.5
134.10492	3.6
135.08037	6.2
135.11714	29.7
137.09596	6.7
141.06981	8.9
142.07785	11.4
143.08575	30.1
144.09344	7.8
145.10133	63.6
146.10420	3.1
147.08049	5.5
147.11705	24.4
149.09607	4.6
149.13269	7.0
151.11195	2.9
153.06943	5.0
154.07713	3.0
155.08549	17.6
156.09335	10.1
157.10168	34.7
158.10835	6.5
159.11705	34.0
159.95630	2.8
161.09619	3.6
161.13298	13.9
163.11195	6.5
163.14796	3.0
165.07039	4.6
166.07732	3.3
167.08591	6.5
168.09320	5.3
169.10127	24.0
170.10916	4.3
171.11678	24.1
173.09627	2.8
173.13278	23.2
175.11234	4.0
175.14839	22.2
178.47632	2.2
179.08568	7.6
180.09335	4.4
181.10080	13.6
182.10951	4.7
183.11707	22.3
185.13293	13.9
187.11095	3.4
187.14796	17.8
189.12749	2.8
189.16429	2.6
191.08685	2.9
191.14337	4.6
192.09360	5.5
193.10188	11.2
194.10924	4.6
195.11728	17.3
196.12477	4.2
197.13251	16.3
199.11134	4.5
199.14781	11.3
201.12592	2.5
201.16420	7.1
202.40135	2.3
203.14371	3.7
205.10150	3.5
205.15852	2.7
206.10912	2.9
207.11662	12.2
208.12445	4.3
209.11612	3.1
209.13292	17.6
211.14856	11.6
213.12869	2.4
213.16379	6.1
214.57233	2.7
217.10136	6.0
217.15942	2.5
219.11732	5.8
221.13249	9.8
223.14798	9.9
225.16447	5.8
231.11844	3.2
232.12511	3.9
233.13231	6.7
235.14861	7.0
237.16417	5.4
238.59987	2.5
239.17880	4.7
243.11652	3.1
245.13301	4.2
246.14008	4.4
247.14832	5.6
249.16364	7.9
251.18073	3.5
253.19633	4.9
257.19006	8.4
259.14935	5.5
261.16443	5.3
264.69894	2.5
265.19507	4.4
267.21170	5.9
273.18857	3.3
275.17599	4.1
275.20184	6.2
277.19522	3.9
289.19696	2.6
293.18793	2.8
296.15207	2.9
315.23151	2.5
317.23026	2.4
343.62817	2.7
349.25269	3.4
373.25464	2.5
383.26788	3.5
427.29779	4.6
429.31680	3.6
531.39276	4.8
549.40643	20.2
567.41663	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01879	17.7
55.05520	33.7
57.03442	4.7
57.07079	28.6
65.03944	6.9
67.05508	58.4
69.03428	8.9
69.07079	34.4
69.14933	13.7
69.15359	13.6
71.04962	3.5
71.08641	14.3
77.03962	3.1
79.05509	58.5
79.05971	3.7
81.03436	8.0
81.07062	86.4
82.04150	2.7
83.04974	10.2
83.08608	25.5
85.06559	4.0
85.10186	8.8
86.05345	2.3
89.06030	5.2
91.05493	66.3
93.07051	69.1
94.07391	2.8
95.01339	2.6
95.04978	24.6
95.08611	67.1
95.09184	4.8
95.47922	2.4
97.06536	9.1
97.10162	13.7
98.07317	3.6
99.08079	3.5
103.05460	7.0
105.07038	80.4
107.04960	10.6
107.08600	58.4
109.06528	24.7
109.10157	37.3
111.04458	3.1
111.08088	5.9
115.05447	6.8
117.07032	26.3
119.06118	2.6
119.08595	100.0
120.08942	2.8
121.06519	5.7
121.10155	43.8
123.08084	9.6
123.11723	14.3
125.09621	6.4
127.11242	4.2
128.06236	5.3
129.07008	17.9
130.07779	7.1
131.08560	39.5
133.06551	3.4
133.08653	3.8
133.10144	74.8
134.10455	2.7
135.08067	9.2
135.11710	39.9
137.09621	7.5
141.06981	7.6
142.07791	12.4
143.08569	24.2
144.09306	7.0
145.10136	62.7
146.10429	2.8
147.08092	4.6
147.11710	33.5
149.09669	12.7
149.13245	8.9
151.11235	4.0
151.14905	3.3
155.08586	9.2
156.09349	7.2
157.10138	35.8
158.10719	3.5
159.08076	3.9
159.11705	36.5
161.09625	11.2
161.13272	15.7
163.11180	12.2
165.12730	3.0
167.08566	5.0
168.09265	2.8
169.10100	16.7
170.10913	4.4
171.06557	3.5
171.11720	21.1
173.09647	4.8
173.13290	26.1
174.13997	3.4
175.11217	8.0
175.14848	26.2
179.08545	5.5
181.10147	7.5
182.10959	3.5
183.11739	19.1
185.13246	13.2
187.11186	3.6
187.14838	19.0
189.16418	3.3
193.10194	6.1
194.10886	6.3
195.11717	12.1
196.12369	5.0
197.13249	17.7
199.14818	12.0
201.12788	5.6
201.16397	8.0
202.57072	2.4
203.14381	3.0
207.11757	4.7
209.13425	12.1
211.14850	11.1
213.16402	8.6
215.14319	3.0
221.13240	7.2
222.13911	3.8
223.14810	8.5
225.16426	3.8
229.19580	4.2
233.13118	3.8
237.16437	4.3
239.18015	9.2
241.19519	5.0
245.13104	2.7
246.14034	3.1
251.17935	3.5
253.19527	3.0
255.21062	3.7
257.19098	19.3
257.21466	3.8
263.17816	3.8
265.19629	6.3
267.21039	5.0
275.20135	44.7
277.19623	4.1
377.62103	2.6
395.31628	6.7
423.34711	7.8
437.36053	4.2
457.33041	4.5
466.40042	3.4
531.38379	5.9
549.39990	16.4
567.41956	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01858	5.4
55.05513	28.6
57.07059	6.9
65.03947	4.8
67.05505	50.6
67.92490	4.4
69.03409	9.2
69.07073	29.1
71.50089	4.2
79.05499	47.2
79.67262	4.1
79.83823	4.3
81.03452	8.2
81.07061	71.0
83.04980	11.3
83.08610	15.8
91.05477	58.5
93.07046	87.1
95.04970	13.9
95.08611	62.5
97.06528	4.9
103.05451	5.3
105.07034	88.0
107.04937	5.3
107.08599	84.6
109.06512	14.4
109.10153	60.1
111.08109	4.6
112.93429	4.7
115.05492	3.8
117.06975	20.8
119.08588	100.0
121.06550	4.0
121.10140	82.9
123.08136	5.1
123.11700	31.1
125.09618	10.5
128.06242	15.1
129.07002	15.5
130.07791	10.9
131.08568	50.4
133.10136	92.2
135.08061	10.1
135.11690	58.5
137.09622	12.9
139.11166	5.8
141.06990	5.5
142.07803	21.7
143.08580	36.3
145.10130	83.4
147.08055	7.3
147.11682	29.9
149.09651	6.0
149.13258	15.7
154.07837	5.8
155.08553	18.5
156.09367	12.2
157.10133	50.1
159.08060	9.7
159.11696	41.8
161.09602	6.7
161.13290	7.1
163.11145	5.4
167.08539	8.5
168.09273	4.5
169.10143	26.5
170.10912	6.9
171.11746	32.0
173.09601	8.5
173.13249	42.8
175.14822	46.7
179.08554	14.1
180.09364	8.5
181.10117	20.1
182.10939	15.3
183.11699	27.4
184.12569	4.4
185.13274	14.7
187.11249	4.7
187.14835	27.1
191.14346	6.2
193.10097	11.0
193.15874	5.1
195.11662	23.3
196.12466	4.9
197.13254	21.9
199.14879	17.8
201.16414	17.5
207.11746	17.3
209.13263	29.2
211.14832	24.1
213.12845	5.9
213.16368	15.5
219.11708	8.6
220.12460	6.3
221.13287	23.5
223.14775	20.8
225.12735	6.0
225.16386	8.1
233.13254	12.0
235.14729	12.9
237.12769	5.4
237.16551	10.1
239.14227	4.9
241.19563	7.6
245.13292	5.5
246.14059	6.4
247.14838	9.6
248.15605	5.1
249.16479	10.2
251.14291	6.6
251.18051	6.0
253.19725	5.2
257.19083	7.7
259.14886	5.2
260.15622	6.1
261.16306	8.4
263.17978	9.3
265.19650	11.4
273.16379	8.3
275.20319	9.2
277.19537	13.3
279.21213	4.8
283.20505	8.2
289.19525	8.5
291.21042	6.4
307.20651	7.8
317.22446	5.2
331.23911	4.9
361.25320	6.1
411.30847	7.4
427.29880	7.0
429.31586	7.2
445.31348	5.7
511.36716	5.1
549.41028	27.5
567.31842	13.0
567.41675	87.0
575.53088	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	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.05516	20.9
56.81195	3.2
57.07063	15.4
65.03963	3.9
67.05506	30.6
69.03421	5.5
69.07074	18.2
69.50298	16.4
69.50726	11.9
79.05499	32.6
81.07057	47.8
83.08609	13.4
85.06564	4.3
90.82771	3.2
91.05489	44.5
93.06496	4.0
93.07045	57.8
95.04961	9.1
95.08604	49.4
97.10142	4.8
103.05445	5.9
105.06402	6.7
105.07036	76.6
107.08595	59.5
109.06503	9.6
109.10153	37.7
111.08040	4.1
115.05437	4.1
117.07037	19.2
119.08582	80.9
121.06525	4.7
121.10133	56.5
123.08054	8.8
123.11707	14.7
128.06200	5.8
129.06985	12.2
130.07809	6.1
131.08568	36.8
133.10124	47.4
135.08043	8.5
135.11702	27.7
137.09602	10.9
141.06958	6.6
142.07770	10.0
143.08553	31.6
144.09245	4.7
145.10127	61.0
147.08055	12.7
147.11665	21.5
147.46880	3.8
149.09631	5.9
149.13310	6.1
151.07539	9.5
155.08534	8.8
156.09302	9.5
157.10123	38.7
158.10846	4.1
159.11702	27.5
161.09669	9.1
161.13226	9.8
163.11147	7.2
165.09116	21.6
167.08549	5.7
168.09264	4.4
169.10114	20.9
170.10831	4.7
171.11681	23.0
173.13301	21.8
175.14830	15.0
179.08636	3.9
181.10155	9.7
181.12238	5.0
181.40056	4.3
182.10844	4.2
183.08109	4.0
183.11670	18.4
185.13271	15.1
187.14818	14.4
193.10164	9.2
194.10944	4.0
195.11658	14.4
197.13237	13.5
199.14879	9.6
201.16406	10.0
203.14360	12.2
206.10870	4.6
207.11765	6.3
207.13719	5.0
209.13235	12.3
211.14838	15.1
219.11726	4.4
221.13228	8.9
221.15350	55.0
223.14844	7.3
225.16357	4.2
233.13170	5.1
235.14790	4.8
237.16388	8.9
247.14767	5.5
251.17966	3.8
265.19556	6.8
277.19611	3.9
300.20358	5.4
359.27258	3.8
409.30942	4.5
417.12198	4.1
475.35892	7.2
487.35422	3.9
549.40375	9.8
567.32477	4.8
567.41785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01865	3.3
55.05268	1.7
55.05516	22.3
57.07063	2.6
60.82123	1.2
60.82891	1.3
65.03929	2.3
67.05509	30.8
69.03421	1.3
69.07069	12.8
71.04991	2.2
71.23834	2.6
71.58945	1.2
79.05494	25.2
81.03416	3.6
81.06602	2.1
81.07061	32.3
83.04972	3.5
83.08624	15.3
85.06561	2.2
91.05490	47.3
93.07047	26.9
95.04983	7.9
95.08610	20.7
97.06529	3.2
97.10169	3.5
99.08123	1.3
103.05476	1.6
105.07037	54.7
107.04971	5.8
107.08602	17.5
109.06528	4.9
109.10160	9.3
109.81431	1.2
111.08086	3.6
115.05408	1.6
117.07036	19.6
119.08591	40.8
121.06490	4.8
121.10149	12.1
123.08076	3.5
123.11692	2.8
125.09604	3.2
128.06268	1.4
129.07034	7.3
130.07767	1.4
131.08566	24.5
132.09386	1.6
133.06467	1.8
133.10138	38.7
135.08113	2.6
135.11687	4.8
137.09616	3.0
141.07001	1.9
142.07791	1.6
143.08542	7.9
145.06505	1.6
145.10129	28.9
147.08064	1.6
147.11700	18.2
149.09608	14.4
149.13243	1.7
151.11191	3.0
154.07758	1.4
155.08571	4.1
157.10123	6.9
159.11696	15.7
161.09616	2.2
161.13248	5.9
163.11212	14.5
165.12747	3.4
169.10143	5.4
171.11732	7.2
173.13211	6.9
175.11189	3.2
175.14842	3.6
177.12822	2.6
181.10144	1.9
183.11685	5.2
185.13318	2.8
187.11118	1.6
195.11722	1.2
197.13252	5.5
199.14868	2.3
209.13370	2.1
211.14838	2.5
213.16400	2.4
215.17899	1.4
223.13222	1.5
229.16013	1.4
229.19482	2.2
239.18027	7.0
247.20665	1.3
257.19052	13.9
273.18524	8.9
274.19290	3.3
275.20087	100.0
293.21167	9.3
463.57181	1.3
549.39270	5.1
567.40448	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01862	2.6
65.03924	6.9
67.01842	1.5
69.37717	6.8
69.38148	6.7
77.03938	2.0
78.04704	3.0
79.05478	8.3
80.08817	2.0
83.15616	1.8
85.02886	2.3
86.08919	1.7
90.48972	1.8
91.05482	11.0
93.03394	5.1
94.04191	2.8
95.04958	5.3
95.08600	2.5
100.11235	2.4
103.05450	5.9
105.07039	15.0
106.04136	2.5
107.04984	16.7
109.06523	2.6
110.03634	5.8
111.04424	4.5
114.01608	1.9
115.05418	5.9
117.06992	3.9
118.04149	2.4
119.04922	7.4
119.08586	3.0
121.06499	3.7
123.04423	6.4
124.05234	3.7
125.06004	8.9
128.06226	2.5
129.07047	9.0
131.04956	8.8
131.08556	2.8
132.05711	2.7
133.02818	5.8
133.06512	8.3
137.05988	19.7
141.06976	2.3
143.04848	1.9
145.06438	2.5
147.04431	9.3
147.08073	3.0
149.05931	2.4
151.03935	5.4
151.07599	3.8
152.04666	2.5
153.05463	26.4
157.06433	3.3
159.08006	5.7
160.05196	2.9
161.06006	15.6
163.07544	5.3
167.07045	100.0
171.04344	2.0
172.05154	2.8
173.05968	3.0
175.07539	25.4
176.04846	2.0
177.05452	5.5
179.03362	1.8
179.07040	7.9
181.04962	7.1
184.05211	2.5
186.05112	1.8
187.07532	22.1
189.05490	3.7
189.07024	2.8
189.09065	2.8
191.07013	12.8
191.08592	3.9
199.07524	8.6
202.07779	2.6
203.08540	6.5
205.06453	3.3
206.07286	3.5
207.08206	2.3
209.08081	7.2
217.06508	2.2
217.08684	2.2
218.07281	4.5
219.07953	6.3
220.08902	2.5
221.09657	4.9
231.08025	5.3
233.05952	4.5
233.09683	3.3
234.06783	4.0
235.07547	6.1
246.06572	2.9
247.07635	6.3
248.08301	4.9
249.09079	7.2
250.09901	2.4
251.07088	3.0
251.10616	2.2
259.07507	3.3
261.05466	4.7
261.09088	3.6
262.05920	2.1
263.07031	5.1
264.07788	3.4
265.08566	6.4
266.09369	2.3
275.06970	3.7
276.07733	12.0
277.08609	6.5
278.09348	2.6
279.10156	5.7
281.11743	6.4
283.09485	2.1
289.08560	4.7
291.06760	2.1
291.10046	4.2
292.10641	2.1
293.08066	4.1
293.11563	2.3
294.08835	3.0
295.09628	2.5
301.07922	1.9
305.07968	2.0
306.08823	3.0
307.09714	14.3
308.10397	4.0
309.11273	11.4
319.09552	8.0
321.11108	10.5
323.12686	6.0
339.12274	33.8
341.13785	17.1
351.12259	24.1
353.13858	10.9
357.13306	3.2
369.13321	2.7
531.47595	2.1
547.47070	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
54.39629	1.2
55.01865	2.9
65.03931	7.2
67.05486	1.1
69.76141	1.2
69.79351	5.3
71.17855	1.2
73.89198	1.2
78.04702	3.9
79.05508	7.5
81.07037	1.5
82.04206	1.6
85.02916	1.3
91.05484	11.8
93.03398	5.7
95.04954	3.0
100.11253	2.1
101.65163	1.2
103.05465	5.7
105.07047	13.8
106.04200	3.4
107.04969	13.1
110.03632	7.8
111.04428	5.6
115.05439	5.3
116.86054	1.2
117.07018	1.6
118.04172	3.2
119.04984	7.4
119.08587	3.4
121.06497	2.4
122.03696	2.3
123.04447	6.3
124.05212	3.7
125.05984	7.0
128.06221	4.7
129.06978	6.4
130.04128	2.2
131.04913	8.7
132.05711	3.5
133.02847	3.4
133.06506	7.0
136.05264	1.7
137.05994	15.9
138.03081	1.3
141.06874	1.3
144.05716	1.7
145.06602	1.7
147.04408	10.9
147.08061	4.2
149.05992	2.3
151.03896	1.5
151.07520	2.9
153.05476	41.5
156.05687	2.0
157.06538	1.3
159.08078	7.5
159.95831	1.2
160.05209	3.0
161.05988	16.6
161.09558	1.6
163.03996	1.7
165.05611	1.4
165.07016	2.0
167.07050	100.0
172.05200	4.4
172.06776	1.2
175.07552	24.4
177.05461	3.8
178.07820	1.8
179.07033	7.6
181.04991	1.6
184.05154	1.6
185.06029	2.5
186.06828	1.5
187.07524	17.9
189.05479	7.2
189.06996	2.8
189.64096	1.7
190.07820	3.0
191.06998	9.3
191.08572	3.8
199.07619	6.5
202.07799	5.7
203.08601	5.7
205.06534	4.5
206.07289	3.8
207.06418	1.9
207.08109	3.2
209.08034	3.9
215.08563	4.1
216.07748	2.3
217.06413	1.6
218.07280	5.1
219.08072	9.3
220.08882	3.9
221.06097	1.6
221.09593	6.1
229.08606	3.4
230.07298	2.0
231.08069	8.1
232.08867	1.7
233.05963	2.5
233.09578	4.9
234.06731	4.9
235.07545	5.9
236.08337	4.2
237.09035	3.8
239.06860	1.5
243.08124	1.5
245.05891	1.6
246.06622	2.1
247.07585	7.0
248.08354	5.9
249.09128	6.8
250.09996	1.3
251.06995	3.3
251.10655	5.6
259.07556	3.6
260.08267	2.3
261.05493	4.9
261.09042	6.4
262.06302	2.7
262.09918	1.6
263.07037	4.0
263.10721	2.7
264.07837	4.9
265.08533	8.7
266.09384	1.5
274.06360	1.3
275.07101	4.2
276.07779	10.3
277.08673	8.6
278.09323	4.7
279.10089	3.7
281.08899	1.5
281.11606	6.4
288.07974	3.1
289.08591	5.6
290.09265	1.7
291.09970	6.5
292.07187	2.0
292.10449	1.3
293.08112	5.6
293.11514	2.7
294.08969	2.3
295.09689	2.6
305.07950	3.3
306.08813	2.1
307.09619	16.8
308.10416	4.3
309.11279	11.6
319.09656	9.7
320.10181	1.6
321.11276	8.1
323.12717	6.4
337.10675	2.0
339.12283	54.9
341.13815	19.3
351.12296	29.2
353.13861	11.3
369.13370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23243	1.7
53.03939	3.1
54.86410	1.6
55.01850	1.9
55.05507	6.0
56.69040	1.6
57.03428	8.2
59.04982	2.9
61.02924	4.5
67.05509	9.3
67.83119	1.7
69.03436	16.2
69.07074	5.4
70.70975	3.7
70.71344	3.0
71.04993	27.6
73.02921	13.1
79.05491	14.3
81.03427	2.5
81.07060	39.2
83.04967	2.1
83.08616	4.6
85.02914	26.7
85.06554	4.7
87.04472	2.5
91.05492	17.6
93.07043	16.3
95.04975	3.6
95.08611	17.3
97.02885	20.5
97.06522	5.8
97.10177	5.0
99.04482	1.7
99.08094	15.9
103.05452	2.4
105.07037	56.4
107.04942	1.9
107.08595	24.0
109.02859	3.2
109.06521	5.5
109.10175	13.8
111.08121	2.2
115.03902	8.3
117.07069	3.0
119.08579	18.2
121.06551	1.8
121.10159	14.1
123.08028	2.3
123.11719	7.9
125.09634	45.1
127.03926	7.7
127.07558	5.6
127.11202	11.0
131.04912	1.9
131.08571	9.2
133.05008	9.9
133.10135	98.9
135.11681	3.5
137.05945	6.0
139.11188	3.3
143.10677	100.0
144.09401	2.2
145.04945	9.2
145.10095	15.0
147.11681	28.2
149.13277	15.1
151.11191	5.6
159.11703	15.1
161.05920	1.9
161.13264	10.4
163.06024	6.1
163.07416	2.0
167.07057	3.2
167.14305	31.8
169.12230	4.2
193.08551	2.4
201.16357	16.5
219.17455	80.4
221.19081	1.8
237.18512	18.2
241.07257	2.6
259.08179	5.5
277.08987	2.1
295.10168	6.3
453.57175	1.8
580.72247	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	567.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03946	3.4
55.01878	0.9
65.03916	1.0
67.05495	2.6
69.03439	8.5
69.03786	1.1
69.27735	0.7
69.28054	6.1
71.01353	1.3
71.04987	1.3
71.94359	0.6
79.05499	6.4
81.03405	4.4
81.07043	1.6
83.04992	0.7
85.02895	3.3
91.05471	2.0
93.07063	3.5
95.04971	58.4
97.02901	8.9
98.21461	1.3
99.04465	1.1
102.60722	0.6
103.05465	4.4
105.03399	0.7
105.04498	1.1
105.07051	1.1
107.04958	40.7
109.02885	21.4
109.06528	2.5
111.04462	0.7
115.05365	0.7
115.49190	0.6
119.04945	1.0
121.06507	7.5
123.04441	14.3
125.02359	21.8
125.06002	1.8
127.03906	5.2
131.04938	2.9
133.02870	1.1
135.04446	3.3
138.09180	0.9
144.08075	1.3
145.04988	0.8
147.04428	1.5
149.05997	12.5
151.03908	100.0
152.04262	0.8
153.05472	7.3
159.04407	2.2
160.07581	2.4
163.03986	1.0
167.07095	0.7
169.04947	0.8
175.03934	1.5
177.05478	23.9
192.76843	0.7
193.05031	3.4
195.06541	42.4
199.59991	0.8
211.06020	3.6
213.07607	3.4
265.09406	1.2
287.98123	0.8
295.08194	1.0
300.25833	0.6
321.09787	1.4
335.13297	1.0
339.10858	3.2
357.11847	2.2
369.17178	1.5
505.13388	2.1
531.22192	3.0
549.23175	1.8
567.22290	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	565.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71877	2.4
53.03933	6.7
55.01862	7.8
55.05513	27.8
57.03442	14.6
57.07074	37.7
58.03452	2.4
65.03941	3.8
67.05185	4.0
67.05510	57.8
69.03418	3.7
69.07069	19.1
69.15000	15.2
69.15420	10.8
71.01336	7.3
71.08639	26.7
71.45549	2.9
73.70979	2.4
74.38811	2.8
79.05494	37.5
81.03426	34.5
81.07059	53.6
83.04988	8.1
83.08615	17.8
85.10174	10.6
89.06009	2.9
91.05483	25.9
92.34122	2.7
93.07047	32.3
95.04971	60.8
95.08613	34.1
97.06562	5.6
97.10149	12.7
98.20743	5.3
105.07027	31.7
107.04960	14.5
107.08597	29.2
109.02895	13.4
109.06515	9.5
109.10190	20.5
111.08070	4.5
117.07002	12.0
119.04967	2.7
119.08585	32.5
121.06489	8.4
121.10141	20.5
123.04436	72.7
123.08077	4.9
123.11701	10.0
125.09636	5.0
128.06168	5.7
129.07001	10.0
131.08583	16.8
133.06520	5.2
133.10146	22.5
134.29863	2.5
135.08040	8.1
135.11716	16.9
137.06015	5.6
137.09589	3.6
142.07782	6.7
143.08540	15.5
145.10150	29.3
147.08070	8.9
147.11682	9.2
149.05936	3.7
149.09666	4.9
153.09117	3.7
155.08553	5.9
156.09299	3.8
157.10139	11.0
159.11682	7.1
161.13269	4.3
163.11153	22.7
165.12727	2.9
167.08606	3.1
167.10699	3.1
169.10130	6.1
171.11676	14.7
173.09628	11.2
173.13277	4.9
175.14830	5.8
177.27922	2.8
179.08478	3.5
181.10146	4.9
183.11687	4.6
185.13319	4.4
189.11253	2.7
189.12640	12.8
191.10670	7.9
195.11728	3.1
197.13324	2.7
202.84413	3.0
207.12032	4.1
207.13747	17.8
209.13298	6.1
217.12219	11.1
219.11749	3.5
235.13281	100.0
239.23616	8.9
249.16563	2.7
253.14307	4.4
269.11426	2.9
291.16208	2.9
309.16956	55.2
310.42526	2.5
313.27393	89.7
327.20865	2.9
547.39844	62.4
565.40387	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.05517	13.0
57.07075	9.7
57.33216	2.1
59.05014	2.4
62.00315	2.1
65.03931	2.5
66.67239	2.4
66.93924	2.2
67.05513	35.0
69.03427	3.4
69.07077	20.2
69.46103	17.9
79.05493	27.1
81.07056	39.2
83.04998	4.1
83.08625	6.1
85.06554	3.0
91.05482	50.5
93.07044	43.3
94.77544	2.2
95.04983	6.2
95.08617	39.2
97.06545	3.6
103.05463	3.5
103.89961	2.7
105.04549	3.8
105.07029	75.4
107.08599	51.4
109.06525	8.8
109.10168	42.0
115.05470	3.5
117.07047	16.8
119.08589	100.0
121.06500	3.2
121.10152	61.8
123.08083	5.2
123.11712	13.1
128.06219	10.9
129.06990	14.5
130.07776	6.3
131.08574	29.9
133.10141	56.7
135.08066	6.1
135.11707	31.8
137.09581	5.9
141.06973	7.6
142.07776	24.3
143.08559	34.7
144.09351	5.6
145.10132	54.1
147.08070	6.9
147.11707	19.3
149.09616	7.3
149.13194	3.8
153.06978	5.3
154.07771	3.0
155.08575	16.5
156.09357	14.0
156.10431	2.4
157.10129	60.1
158.10866	5.1
159.08069	8.2
159.11679	27.9
161.09595	3.6
161.13266	8.7
163.11148	4.3
165.07050	6.5
166.07860	3.8
167.08580	10.6
167.10658	4.0
168.09361	7.7
169.10147	20.7
170.10840	3.8
171.08038	4.3
171.11702	24.0
172.12437	2.7
173.09642	10.1
173.13269	18.3
175.11208	5.0
175.14844	40.2
179.08589	10.2
180.09314	3.9
181.10138	15.4
182.10927	9.8
183.11678	21.8
185.09660	3.8
185.13293	14.0
187.11296	3.5
187.14832	19.0
189.12706	4.4
192.09372	4.1
193.10141	10.6
194.10857	8.7
195.11737	18.2
196.12318	6.3
197.13264	24.2
199.11189	8.8
199.14799	7.4
201.12769	6.6
201.16496	6.9
205.10172	3.6
206.10893	5.4
207.11780	12.1
207.13576	3.3
208.12595	2.8
209.13300	15.7
211.11154	5.8
211.14825	9.9
213.12729	3.9
213.16385	9.7
215.14357	5.2
219.11620	4.5
221.13292	7.6
223.11134	5.7
223.14796	16.3
225.12749	10.3
225.16429	2.7
231.11650	5.8
233.13280	7.3
233.15366	3.8
235.14891	10.5
237.12790	6.4
237.16428	6.1
239.18037	7.8
245.13272	6.8
247.14781	7.6
249.12772	3.9
253.15874	3.5
253.19568	3.7
257.13260	3.2
261.16339	4.5
263.18063	4.7
265.16217	2.8
273.18652	21.6
275.14432	3.4
279.17560	2.5
279.21088	7.9
281.19153	3.4
289.16125	2.8
299.20093	35.9
309.16934	6.2
319.24506	3.3
325.21661	4.1
358.71072	2.8
405.27692	4.4
443.29584	9.5
473.34030	8.7
547.39532	6.7
565.40411	68.8
583.79132	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.3
53.03952	3.6
55.05512	15.0
57.07063	6.4
67.05190	2.2
67.05511	29.8
69.03428	2.7
69.07067	17.5
69.55456	6.2
69.55887	8.3
71.29745	2.0
79.05493	27.6
81.06600	2.6
81.07062	42.7
83.04943	2.2
83.08625	6.1
91.05480	37.6
93.07044	42.3
95.04951	6.0
95.08612	34.7
97.06508	3.6
97.10172	2.6
103.05461	4.2
105.04542	2.8
105.07034	69.3
107.05003	2.2
107.08595	46.5
109.06496	7.7
109.10168	54.9
115.05453	5.7
116.06197	2.3
117.07021	19.6
119.08591	100.0
121.06502	3.6
121.10150	68.2
123.08078	4.8
123.11710	15.1
128.06219	10.4
129.07013	13.3
130.07785	9.8
131.08572	34.6
133.10147	52.0
135.08051	6.1
135.11699	31.7
141.07016	7.4
142.07780	20.1
143.08575	35.4
144.09370	7.0
145.10133	52.1
147.08127	2.4
147.11705	20.6
149.09612	5.8
149.13278	3.6
153.06949	3.7
154.07791	4.2
155.08545	16.5
156.09331	16.9
157.10144	64.1
158.10909	2.8
159.08046	6.9
159.11705	35.4
161.09613	4.5
161.13286	10.8
163.11090	2.9
165.06984	5.2
166.07753	2.0
167.08672	10.1
167.10683	9.4
168.09331	7.4
169.10121	22.1
170.10878	6.2
171.11685	26.5
173.09624	8.2
173.13272	20.8
175.11182	5.1
175.14851	37.8
177.09047	3.3
177.12653	2.6
178.07742	2.2
179.08559	9.4
180.09322	8.0
181.10120	17.3
182.10858	10.7
182.38396	2.0
183.11710	24.6
184.12512	3.5
185.09529	3.4
185.13264	13.6
187.11209	4.5
187.14781	11.7
189.12776	7.0
189.16412	3.0
192.09317	3.9
193.10124	11.0
194.10934	7.9
195.11690	20.2
196.12399	4.8
197.09570	3.2
197.13292	29.1
198.14069	4.0
199.11166	9.4
199.14786	8.2
201.12759	6.8
201.16368	11.4
202.07378	2.0
203.14388	3.0
206.10880	4.7
207.11682	15.2
208.12411	6.4
209.13242	20.5
211.11131	5.5
211.14749	10.3
213.12776	6.7
213.16446	10.7
215.14418	5.5
219.11668	3.3
220.12457	4.0
221.13257	9.5
223.11267	3.2
223.14862	15.8
225.12741	7.3
225.16383	3.1
227.14346	2.6
229.10228	3.9
231.11581	4.5
232.12404	3.7
233.13234	7.1
233.15393	5.8
235.14816	8.4
237.12671	4.6
237.16405	7.7
238.17136	2.4
239.14381	4.1
239.17914	8.1
241.15807	4.2
244.12369	2.7
245.13142	4.0
246.14088	4.3
247.14757	6.7
249.16396	3.2
251.14204	4.1
251.17969	3.6
253.15871	2.4
253.19638	4.3
257.13150	2.5
258.14063	2.5
259.14706	4.8
261.16299	3.9
263.18149	4.4
273.15909	3.7
273.18542	39.2
275.17841	5.4
277.15701	2.3
279.21027	15.4
281.18951	3.8
282.64984	2.1
287.17773	2.6
291.21066	3.5
299.17175	3.5
299.20148	53.1
301.19455	3.1
313.21649	3.8
315.21213	2.7
319.24301	2.8
343.24319	4.0
351.23129	6.2
363.23288	3.9
431.29086	2.8
443.29633	5.0
467.37170	4.7
473.33966	9.6
509.34677	2.5
547.38843	2.8
565.31854	3.0
565.40466	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.9
57.07065	27.9
67.05508	70.5
69.07072	38.0
69.15736	73.1
71.08652	13.4
71.51105	5.8
79.05486	40.1
80.45157	7.6
81.07062	50.9
83.08625	12.8
91.05490	60.2
93.07047	59.3
95.04970	18.9
95.08627	61.3
97.10149	13.0
105.07039	92.5
107.04977	8.4
107.08602	67.4
109.06516	11.9
109.10170	81.7
115.34724	6.4
117.07050	22.3
119.08599	100.0
121.06525	9.8
121.10163	77.1
123.08069	16.1
123.11709	15.3
128.06233	9.8
129.06996	11.7
130.83246	6.3
131.08571	43.3
133.10135	65.7
135.11713	40.2
142.07814	23.0
143.08595	34.9
144.77737	6.1
145.10146	61.5
147.08067	9.4
147.11687	33.8
149.13284	9.9
155.08557	18.5
156.09317	17.3
157.10152	52.6
159.08067	20.3
159.11665	23.7
161.09517	8.3
161.13263	10.8
167.08572	10.0
168.09142	7.2
169.10170	19.4
171.11742	26.7
173.11963	7.3
173.13280	29.4
175.14893	33.0
177.08940	6.1
179.08565	14.0
181.10135	12.9
181.93039	6.6
182.10927	11.2
183.11708	26.6
185.09613	8.0
185.13211	10.6
187.11264	10.0
187.14839	27.6
193.10143	11.8
194.10982	9.2
195.11714	21.2
197.13301	21.2
199.11354	8.0
199.14848	7.8
207.11700	14.1
207.13762	9.9
209.13423	16.2
211.14909	13.7
221.13147	11.6
223.14772	8.3
225.12814	20.9
233.13351	12.3
265.19354	6.0
281.19177	7.4
282.27948	19.8
309.16977	14.9
309.32486	12.8
310.31091	18.7
352.72635	6.5
425.28912	7.1
441.06546	6.9
443.29590	29.6
467.37573	41.2
480.08835	7.5
565.40265	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05616	4.9
53.03942	11.2
55.01883	5.2
55.05511	31.4
57.03450	31.1
57.07064	5.4
61.02926	17.0
67.05508	88.2
69.03427	12.0
69.07078	43.2
69.93802	11.7
69.94191	11.9
71.04987	6.2
73.02930	9.3
76.51277	4.4
79.05502	88.9
81.03416	17.8
81.07066	91.1
83.04975	22.4
83.08627	19.9
85.02908	18.7
85.06537	6.0
91.03960	8.6
91.05479	82.6
93.07054	100.0
95.04969	17.6
95.08611	48.3
97.02898	12.4
97.06528	16.1
97.10136	8.9
98.21484	6.3
99.08076	9.0
103.03931	5.8
105.07047	61.9
107.04973	6.3
107.08611	56.3
109.02886	6.9
109.06513	9.7
109.10161	24.0
111.08067	7.6
117.07042	25.9
119.08601	48.8
121.06526	7.7
121.10171	38.8
123.08073	7.4
129.07024	16.7
131.08603	33.8
133.10178	47.9
135.08119	7.5
135.11720	35.9
143.08580	10.4
145.10172	24.8
147.11682	26.2
149.09612	15.8
149.13266	32.5
157.10127	10.2
159.11703	31.8
161.13252	23.9
169.10045	5.8
171.11722	11.4
173.13300	10.3
175.14867	9.0
177.12775	12.5
185.13271	8.4
195.13893	7.8
229.14317	7.9
241.19576	15.0
257.18918	6.4
259.20615	50.4
269.17520	59.2
275.20087	9.8
277.21509	8.2
333.24359	5.8
351.25378	60.0
371.14557	5.2
567.24445	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	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01865	7.8
55.05513	36.2
57.03431	12.9
59.05019	3.7
64.53623	2.4
65.03945	5.0
67.05506	99.3
69.03439	6.1
69.07072	25.5
69.93269	5.1
69.93677	11.6
71.04980	2.7
76.58646	2.6
79.05498	63.0
81.03424	30.0
81.07057	100.0
83.04977	16.2
83.08622	26.1
83.63492	2.2
85.02901	7.5
91.05479	49.3
91.06683	3.1
93.07055	60.3
95.04973	18.9
95.08614	67.8
97.06515	8.8
97.10149	15.8
97.22527	2.6
97.93233	2.8
98.21487	3.1
99.08125	5.0
103.01916	2.8
105.04562	3.1
105.07033	44.1
107.04967	3.8
107.08601	42.2
109.06521	6.0
109.10171	39.3
111.04432	7.9
111.08078	11.4
117.07024	19.4
119.08587	45.6
121.10150	26.4
123.08080	5.0
123.11760	15.4
125.09642	10.5
129.07010	13.1
131.08562	30.4
132.54225	2.7
133.10136	32.0
135.08113	5.8
135.11703	27.0
137.09573	2.6
137.13281	5.8
143.08566	13.3
145.10127	21.6
147.11679	24.6
149.09618	8.6
149.13261	8.9
155.08655	3.5
157.10156	13.8
159.11708	12.2
161.13290	9.5
163.11157	6.6
163.14835	4.0
165.12735	3.9
169.10129	6.5
171.11691	9.6
173.13219	17.6
175.11153	7.2
175.14830	5.1
181.12337	5.9
183.11699	7.5
185.13319	7.3
187.14842	8.6
189.11220	7.6
193.12172	20.1
199.14891	4.2
201.18318	2.8
211.13275	44.1
223.14850	3.1
227.12790	8.8
229.14232	3.7
243.20979	2.9
261.22131	15.4
267.15912	5.0
279.23267	4.4
285.16943	12.4
285.21994	5.9
301.25067	3.7
303.23309	6.3
317.24698	5.2
335.25800	14.7
359.25778	5.0
383.67654	3.0
391.28125	3.1
417.31470	4.8
435.32544	10.5
453.33636	12.6
471.34839	9.4
489.35516	3.8
509.36212	2.9
527.37531	28.0
545.38385	66.3
563.39459	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.0
55.01867	11.8
55.05509	38.3
57.03421	9.4
57.07063	4.6
60.50896	2.8
64.83916	3.1
65.03938	4.5
67.05510	92.8
69.03416	5.3
69.07072	30.4
70.11359	12.2
71.04984	5.5
74.38030	3.0
79.05498	61.4
81.03425	31.8
81.06595	5.7
81.07060	100.0
83.04996	17.3
83.08635	23.1
85.02887	9.4
85.06542	3.6
91.05492	54.2
93.07042	68.6
95.04990	21.5
95.08607	71.9
97.06522	11.6
97.10194	16.1
99.08088	4.4
105.07040	43.4
107.04931	6.3
107.08604	43.5
109.06501	4.3
109.10151	35.7
111.04432	8.7
111.08076	9.2
113.49258	3.7
117.07029	17.5
119.08590	36.4
121.06557	3.8
121.10159	28.7
123.08041	6.5
123.11698	14.6
125.09604	8.9
129.06960	13.3
131.08571	29.0
133.10127	27.3
135.08012	3.5
135.11687	23.0
137.09587	4.7
141.06969	4.1
142.07813	5.4
143.08575	11.1
145.10132	25.1
147.08018	5.8
147.11688	26.6
149.09644	3.7
149.13243	11.1
155.08549	6.9
157.10115	18.6
159.11696	16.5
161.13272	11.0
163.11160	8.8
163.14760	4.0
165.12752	4.2
169.10139	7.7
171.11649	6.9
173.13243	17.1
175.11250	6.8
177.12656	3.7
179.14276	3.7
181.10155	4.4
181.12244	8.1
183.11714	4.6
185.13254	8.8
187.14824	9.9
189.11218	8.5
193.12270	28.5
211.13284	35.6
211.15012	5.9
227.12732	13.5
229.14322	4.2
259.41818	3.4
261.22122	29.1
263.20041	5.5
269.17502	4.9
275.19839	3.4
279.23248	4.7
283.15479	3.9
285.16995	17.6
285.22195	8.1
303.23245	9.9
317.24731	8.2
335.25833	24.0
435.32355	11.9
453.33536	12.7
471.34647	8.0
473.32584	4.2
527.37390	37.5
545.38391	77.4
563.39319	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25950	0.9
53.03933	1.9
54.66650	1.0
57.03426	1.9
59.59193	1.0
60.95091	1.1
61.02913	2.7
67.25003	0.9
69.03435	6.9
69.89508	5.1
75.37711	1.2
79.05492	3.6
81.03432	5.1
81.07034	1.7
83.04992	1.7
85.02908	11.7
89.55558	1.1
91.05480	2.9
95.04961	3.7
95.08588	0.9
97.02917	5.7
97.06576	1.2
103.05482	1.5
105.07045	2.0
106.06573	1.6
107.04984	5.9
109.02893	3.1
109.06527	6.4
115.05455	1.5
117.05794	1.5
118.06523	2.2
119.04984	1.2
121.06498	2.2
123.04498	1.8
127.03921	2.0
130.06529	34.6
131.04996	1.8
132.08109	11.7
133.06508	1.8
137.05998	2.8
144.08110	1.7
145.05025	1.0
145.07610	8.7
146.06053	3.4
147.09189	11.5
148.07626	2.0
151.03889	2.6
151.07504	1.0
156.08075	11.5
157.07629	7.9
157.08815	1.8
158.06013	1.8
158.08409	2.7
159.04402	2.1
159.09221	3.5
160.07607	1.4
161.05994	1.3
161.07086	5.1
163.07588	1.5
171.09180	5.8
173.07130	3.7
173.10745	6.6
174.05496	1.3
183.09181	3.7
185.04254	1.8
185.07083	2.4
187.03943	2.9
187.08678	4.3
188.10753	3.7
199.08684	3.1
201.10304	2.4
203.05211	4.8
204.05891	1.1
204.07634	4.3
205.07707	2.2
206.08368	2.4
207.09198	2.2
209.10774	3.1
211.08754	2.5
234.12985	1.2
235.08690	8.4
235.12315	2.6
237.10329	1.5
253.09724	5.2
253.13391	1.9
261.10266	1.3
263.08221	2.8
263.11484	1.0
267.14966	1.1
277.13425	2.5
279.14938	2.8
281.09189	18.7
287.14117	2.2
295.14447	1.7
297.15955	4.6
305.12878	3.9
311.05551	2.5
313.11917	1.7
323.13907	7.8
325.15512	3.7
331.13013	3.5
333.12546	2.1
339.08578	1.7
339.17102	3.2
351.13416	54.9
353.13742	2.3
357.18103	63.7
383.11316	4.4
383.16052	15.5
401.12259	8.8
401.17148	25.0
513.18561	2.6
563.21387	100.0
564.21460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25950	0.9
53.03933	1.9
54.66650	1.0
57.03426	1.9
59.59193	1.0
60.95091	1.1
61.02913	2.7
67.25003	0.9
69.03435	6.9
69.89508	5.1
75.37711	1.2
79.05492	3.6
81.03432	5.1
81.07034	1.7
83.04992	1.7
85.02908	11.7
89.55558	1.1
91.05480	2.9
95.04961	3.7
95.08588	0.9
97.02917	5.7
97.06576	1.2
103.05482	1.5
105.07045	2.0
106.06573	1.6
107.04984	5.9
109.02893	3.1
109.06527	6.4
115.05455	1.5
117.05794	1.5
118.06523	2.2
119.04984	1.2
121.06498	2.2
123.04498	1.8
127.03921	2.0
130.06529	34.6
131.04996	1.8
132.08109	11.7
133.06508	1.8
137.05998	2.8
144.08110	1.7
145.05025	1.0
145.07610	8.7
146.06053	3.4
147.09189	11.5
148.07626	2.0
151.03889	2.6
151.07504	1.0
156.08075	11.5
157.07629	7.9
157.08815	1.8
158.06013	1.8
158.08409	2.7
159.04402	2.1
159.09221	3.5
160.07607	1.4
161.05994	1.3
161.07086	5.1
163.07588	1.5
171.09180	5.8
173.07130	3.7
173.10745	6.6
174.05496	1.3
183.09181	3.7
185.04254	1.8
185.07083	2.4
187.03943	2.9
187.08678	4.3
188.10753	3.7
199.08684	3.1
201.10304	2.4
203.05211	4.8
204.05891	1.1
204.07634	4.3
205.07707	2.2
206.08368	2.4
207.09198	2.2
209.10774	3.1
211.08754	2.5
234.12985	1.2
235.08690	8.4
235.12315	2.6
237.10329	1.5
253.09724	5.2
253.13391	1.9
261.10266	1.3
263.08221	2.8
263.11484	1.0
267.14966	1.1
277.13425	2.5
279.14938	2.8
281.09189	18.7
287.14117	2.2
295.14447	1.7
297.15955	4.6
305.12878	3.9
311.05551	2.5
313.11917	1.7
323.13907	7.8
325.15512	3.7
331.13013	3.5
333.12546	2.1
339.08578	1.7
339.17102	3.2
351.13416	54.9
353.13742	2.3
357.18103	63.7
383.11316	4.4
383.16052	15.5
401.12259	8.8
401.17148	25.0
513.18561	2.6
563.21387	100.0
564.21460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2125
Annotation	Caohuoside D
Peak:m/z	Relative Intensity
53.03952	0.7
55.01868	0.5
57.03428	0.6
58.09067	0.3
61.02916	0.4
66.04703	0.5
67.05483	0.4
69.03425	2.0
79.05484	1.2
79.49368	0.3
81.03413	1.4
81.07056	0.7
85.02914	2.5
91.03996	0.3
91.05494	0.9
93.07021	0.4
94.04198	2.8
95.04984	0.3
97.02904	1.0
97.06535	0.5
98.21523	0.8
99.04453	0.4
107.04971	0.5
109.02852	0.3
109.06564	0.6
115.05455	0.9
117.07026	0.5
122.03656	7.1
124.05230	0.4
127.03970	0.6
131.04909	0.5
135.04353	0.5
137.05988	100.0
138.04559	0.3
138.06314	0.4
139.07588	0.8
143.04950	3.5
146.00743	0.3
148.05170	0.4
151.03918	2.9
152.04738	0.9
153.01839	1.0
160.05238	0.6
161.06056	0.6
161.24393	0.3
167.07068	1.3
171.04378	0.4
173.06029	0.9
175.07579	1.4
177.05313	0.5
181.08611	7.4
187.08704	0.5
188.08340	3.5
189.09128	0.4
190.09932	0.6
192.07870	0.9
195.06551	11.8
203.07040	1.7
204.07893	1.1
205.08676	0.5
218.57443	0.3
219.10133	2.9
235.09694	0.7
247.09772	0.6
249.11256	2.7
279.06628	0.3
279.10181	0.5
281.09189	0.6
339.12195	0.4
340.13449	0.4
353.10324	0.4
356.12631	1.1
371.14923	17.7
383.11414	0.5
383.15878	0.6
401.08167	0.4
401.16180	8.5
408.11951	0.3
440.87228	0.4
533.20581	0.4
563.21313	37.3
564.21582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16515	0.4
55.01866	0.6
71.01308	0.4
71.49004	0.6
78.04739	0.4
79.05490	1.1
81.03403	0.7
83.04955	0.5
85.02892	0.4
89.03915	1.0
90.04695	1.2
91.05494	2.6
93.07047	0.8
95.04955	1.3
97.06552	0.4
103.05471	5.8
104.06274	2.7
105.03383	0.8
105.07021	1.0
106.04135	0.5
107.04950	2.6
115.05434	0.6
117.03371	1.4
117.07006	0.8
118.04185	2.0
119.04948	1.1
120.05717	0.7
121.06528	1.4
122.03647	0.5
123.04425	0.8
125.76443	0.4
130.04150	0.9
131.04938	20.6
132.05719	25.2
133.02837	2.1
133.06488	1.5
135.04411	0.9
135.07997	0.4
137.05994	4.4
145.02872	0.9
147.04449	1.2
148.05228	2.4
149.05989	2.8
151.03917	1.7
151.07561	1.2
153.01770	0.9
158.06023	0.7
159.04417	2.1
160.05209	14.5
161.02335	0.4
161.05946	2.1
162.06764	0.9
163.03899	2.5
163.07545	4.0
164.04655	0.4
165.05479	2.7
165.52969	0.4
167.07053	7.9
173.05984	0.7
176.04735	2.4
177.05482	14.8
179.07042	5.3
180.07837	7.1
181.04938	0.6
181.08589	1.3
182.09392	0.8
187.03894	4.8
189.09065	0.4
191.07037	25.0
192.07820	100.0
193.08421	1.5
195.06514	0.6
199.03940	0.9
205.06512	0.4
207.06537	4.6
208.07292	1.8
209.08040	0.7
210.08717	0.4
211.78320	0.4
217.04948	0.6
230.81657	0.4
233.05980	0.5
235.07443	0.5
249.07523	0.5
249.11282	0.4
275.07126	0.5
279.06625	0.6
280.07388	0.7
281.08746	0.4
293.08099	0.9
295.09641	1.1
297.11118	0.7
300.80182	0.5
307.09604	0.5
309.07458	0.5
311.09061	0.6
321.07581	2.0
325.10721	1.5
341.10239	3.2
353.10217	20.2
371.11270	20.0
401.16589	0.6
505.35489	0.4
545.16705	0.6
563.20966	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	562.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22919	6.5
55.01863	6.7
55.05507	17.8
56.38990	6.3
57.07068	7.0
67.05515	39.9
68.05822	8.5
69.07068	14.5
69.64640	41.6
79.05499	37.5
81.07053	37.7
83.05000	15.6
83.08629	20.2
91.05478	28.0
92.66241	6.0
93.07050	36.3
94.58250	7.2
95.04985	17.4
95.08604	21.3
105.07022	26.1
107.08596	19.6
117.07070	7.0
119.08603	17.9
121.10127	10.9
123.11703	6.9
131.08611	11.5
132.53326	6.7
133.10159	13.3
135.11737	8.5
142.78008	6.4
143.08643	9.6
145.10150	10.6
147.11691	15.1
149.09654	11.0
159.11745	10.0
171.11621	10.0
207.13805	28.8
223.13382	21.0
257.19080	8.8
275.20068	100.0
293.21161	75.1
294.27032	7.6
544.37463	8.1
562.40588	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	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17599	1.2
53.03950	6.5
55.01877	3.4
55.05511	25.0
57.03434	3.9
57.07083	3.7
59.05010	1.6
62.69843	1.3
65.03929	5.0
67.05508	80.6
69.03438	2.9
69.07072	23.0
69.27447	1.8
69.27766	12.8
71.04997	49.3
71.08605	1.4
77.71341	1.4
78.35339	1.1
79.05499	64.5
81.03428	3.4
81.07060	100.0
83.04975	11.4
83.08629	13.0
85.06557	6.1
91.05486	58.6
93.07047	65.4
95.04974	7.4
95.08609	39.6
97.06538	10.8
97.10169	4.3
99.04513	1.3
99.08095	2.2
101.30957	1.4
103.05517	1.8
105.04534	2.1
105.07039	35.3
107.04998	2.4
107.08604	36.5
107.09319	2.8
109.06538	3.5
109.10164	17.0
111.08104	3.0
113.09702	1.5
117.07032	13.9
119.08588	17.9
121.06574	1.8
121.10148	26.1
121.10936	2.6
123.08095	2.3
123.11695	16.9
125.09642	2.1
129.06999	3.1
131.08574	18.0
133.10147	29.6
133.11095	2.0
135.08058	2.3
135.11694	19.0
137.09673	1.9
139.11172	1.5
143.08536	6.2
145.10146	8.1
147.11696	6.9
149.09782	1.5
149.13277	12.9
151.11168	10.2
157.10158	3.6
159.11696	14.6
161.13269	8.1
163.11191	2.0
165.12804	1.6
169.10165	1.5
171.11729	2.8
173.13312	6.3
177.12827	5.1
179.14352	2.2
183.12027	2.4
183.13811	15.4
185.13263	2.5
187.13283	2.6
187.14850	3.0
195.13852	6.7
199.14824	2.5
227.16386	1.5
229.14226	1.6
243.21353	1.8
253.18057	2.6
257.17349	2.2
261.22079	3.3
269.17599	1.9
283.19070	3.5
285.16992	3.0
289.21378	1.6
335.26086	1.4
349.27933	1.6
363.25381	2.8
437.34082	3.1
455.35187	1.5
493.94043	1.4
511.38126	2.4
517.38849	19.9
529.38824	20.4
529.46216	1.9
543.39447	1.7
561.41626	58.1
562.41907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.7
57.03438	17.7
67.05510	22.2
69.03439	2.6
69.07058	3.5
69.89140	2.4
70.48079	4.9
71.04977	4.8
79.05505	24.9
81.03426	89.1
81.07066	24.5
82.07353	2.9
83.04990	14.1
83.08627	22.5
85.02905	10.6
91.05486	30.5
93.07046	19.2
95.04976	29.1
95.08626	10.0
97.02907	4.8
97.10155	5.1
103.56197	2.5
105.07033	20.0
107.04961	8.6
107.08593	7.0
109.10173	2.8
111.08083	8.4
113.79117	2.1
114.52776	2.1
115.05509	2.4
117.07014	4.0
119.08588	20.2
121.06496	3.1
121.10202	12.1
123.08064	5.1
123.11722	2.4
125.09630	4.7
129.07037	11.7
131.08591	14.5
133.06528	2.8
133.10133	9.2
135.08134	2.9
145.06502	4.3
145.10085	4.3
147.08040	4.4
147.11685	12.8
149.09598	6.0
157.10117	15.3
175.11221	14.8
180.02907	2.4
193.12260	33.9
211.13292	20.1
267.15942	100.0
273.14816	4.7
282.79129	2.9
285.16962	26.1
349.21637	5.9
367.22632	13.2
385.23840	12.2
396.99710	2.8
433.25745	9.5
441.26501	3.1
459.27435	44.6
477.28574	37.8
496.01523	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	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36832	2.7
50.73763	2.5
50.79984	2.4
51.22811	2.3
53.03938	5.8
53.69917	2.2
55.01867	11.4
55.05513	44.6
57.03432	12.9
57.07073	5.8
59.04994	3.4
63.19849	2.8
65.03940	6.1
67.05506	87.0
69.03426	3.1
69.07069	30.3
69.82909	12.3
70.94157	2.7
71.04975	8.1
77.03931	2.9
79.05499	63.1
81.03419	30.5
81.07059	90.9
83.04971	12.7
83.08222	2.8
83.08629	29.4
85.02879	6.7
85.06571	5.3
91.03484	2.5
91.05485	76.1
93.06490	4.7
93.07047	73.6
95.04974	22.0
95.08608	56.7
96.08909	2.4
97.06525	11.6
97.10165	22.7
103.05487	2.9
105.07030	59.3
107.04951	9.0
107.08585	34.0
109.06505	9.3
109.10159	28.3
111.04417	5.2
111.08066	8.5
112.49467	2.5
115.05442	4.9
117.07032	30.9
118.28198	2.7
119.08586	48.6
121.06503	9.8
121.10157	24.4
123.08065	7.0
123.11677	4.0
125.09651	12.4
128.06224	6.3
129.07033	22.1
131.08571	44.9
133.06502	4.0
133.10138	31.2
135.08041	7.4
135.11702	18.8
137.09578	6.5
139.11157	6.1
141.06947	4.9
142.07762	4.7
143.08586	24.6
145.06511	4.1
145.10121	38.8
147.08012	5.8
147.11708	25.6
149.09587	8.8
149.13277	9.3
151.11230	4.0
153.67358	2.7
155.08548	10.9
156.09320	3.0
157.06535	3.9
157.10144	27.9
159.08093	5.2
159.11716	21.9
161.09589	4.2
161.13309	15.2
163.11215	6.4
163.35504	3.0
169.10115	10.7
171.07932	2.8
171.11703	18.3
173.09656	3.7
173.11926	3.0
173.13235	14.1
175.11165	4.7
175.14842	8.1
177.12733	3.4
181.10161	5.9
183.11664	10.8
185.13235	12.1
187.14778	6.1
189.11156	6.8
189.12740	5.0
193.12209	13.1
195.11649	9.3
195.13531	3.4
197.13258	8.0
199.14766	6.5
201.16438	2.8
209.13260	6.0
211.13168	12.3
213.16399	6.4
215.17944	3.7
223.14903	4.8
227.12798	8.5
229.14404	7.2
241.19350	6.8
257.19128	3.9
259.20648	15.6
264.15613	2.6
267.15778	4.2
275.20059	6.2
276.20697	3.9
285.16995	9.3
285.22067	6.0
297.22098	7.3
299.23627	7.0
309.22180	4.8
313.21246	3.0
315.23212	11.4
321.21930	3.1
323.23788	2.9
330.53723	2.7
333.24295	7.3
349.23749	3.5
391.56580	2.7
409.36655	3.0
415.29749	6.4
423.32684	6.2
433.31061	14.5
451.31934	18.6
463.30280	6.2
469.33063	16.2
487.33777	10.1
507.34323	3.1
525.35803	31.1
543.36810	100.0
561.37854	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33473	2.3
53.03942	7.0
55.01879	12.4
55.05514	49.5
57.03437	17.6
57.07070	6.1
59.23553	2.1
59.88639	2.3
65.03949	5.6
66.30425	2.1
67.05509	100.0
69.03414	6.4
69.07076	32.3
71.04987	12.9
76.55728	2.3
79.05499	64.0
81.03426	33.8
81.06602	5.0
81.07063	88.7
83.04979	13.6
83.08625	28.9
85.02900	5.8
85.06534	6.2
91.05488	77.2
93.07048	68.7
93.07639	3.9
95.04980	25.0
95.08611	51.9
97.06536	12.9
97.09640	2.6
97.10179	21.9
99.08081	5.1
103.05414	3.0
105.04534	3.2
105.07035	75.4
107.04950	8.7
107.08611	36.4
109.06520	8.8
109.09481	3.4
109.10159	38.9
111.04442	4.5
111.08062	11.9
113.09662	2.3
115.05421	4.3
116.06223	2.5
117.07008	30.6
119.04865	2.5
119.08589	59.8
120.54072	2.5
121.06524	5.4
121.10144	29.0
123.08058	8.1
123.11722	5.5
125.09637	12.2
128.06195	8.6
129.07014	34.7
130.07713	2.7
131.08566	53.2
133.06529	4.2
133.10139	41.8
135.08044	8.4
135.11705	18.3
137.09624	6.1
141.07004	9.5
142.07797	5.7
143.08556	26.4
145.06480	4.0
145.10118	40.8
147.08025	6.4
147.11687	34.9
149.09627	9.4
149.13203	12.2
151.11128	5.4
155.08580	15.1
155.10625	2.7
156.09303	2.8
157.06528	2.4
157.10117	30.6
159.08038	3.2
159.11700	26.6
161.09618	3.3
161.13268	22.4
163.11159	7.3
163.14815	2.1
165.12752	2.6
167.08594	2.8
168.09378	2.9
169.10132	15.1
171.07977	4.1
171.11671	27.0
173.09657	4.8
173.11858	4.3
173.13263	17.5
175.11212	7.8
175.14813	9.5
175.19365	2.4
179.08594	2.5
179.14272	3.2
181.10075	5.7
181.12244	3.0
183.11671	17.2
185.13245	15.5
187.14781	9.4
189.11224	9.0
189.12737	2.8
193.10522	4.0
193.12247	21.1
195.11658	7.5
195.13715	2.8
197.13235	8.3
199.14796	13.8
200.64874	2.6
207.11845	2.6
209.13338	6.2
211.13219	27.9
211.14807	4.1
213.16476	4.6
215.18022	2.9
223.14827	6.1
225.16452	4.6
227.12779	8.5
229.14310	10.1
231.21042	5.4
233.13208	2.3
235.14798	4.1
237.16553	3.1
239.14241	2.5
241.19542	21.4
255.17453	2.4
257.19025	5.2
259.20557	46.7
261.21991	3.2
267.15842	5.7
271.20383	2.6
275.20096	7.3
277.21561	7.1
283.20593	3.1
285.16934	17.4
297.22134	9.1
299.23560	6.9
301.21606	4.2
315.23349	16.5
333.24341	24.9
335.23639	2.7
353.24771	2.7
363.96030	2.3
368.98566	2.3
371.25916	3.3
389.26920	4.4
415.29749	6.7
423.32523	5.0
433.30743	17.3
445.28989	3.5
451.32047	17.3
469.33026	12.0
485.32138	2.9
487.34335	6.2
507.34338	2.8
517.35181	2.7
525.35736	35.2
543.36871	95.3
561.37952	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19784	3.4
53.03934	10.8
55.01861	10.2
55.05510	44.5
57.03442	15.5
57.07079	4.7
65.03928	6.5
67.05508	100.0
69.03435	6.7
69.07068	34.0
69.27159	18.8
69.27565	6.1
71.04986	13.3
77.03889	3.0
79.05495	66.3
81.03424	42.0
81.06598	3.7
81.07060	67.0
83.04991	14.9
83.08618	38.4
85.02895	11.4
85.06567	5.9
91.05482	85.0
93.07044	73.7
95.04964	21.0
95.08606	53.8
97.06519	12.8
97.10174	20.5
99.08084	4.2
105.07034	72.6
107.04949	9.0
107.07964	4.8
107.08600	45.0
109.06514	8.8
109.10161	32.9
111.08084	10.3
113.06023	2.9
115.05473	5.0
117.07028	33.6
119.08596	57.2
121.06535	5.0
121.10155	25.4
123.08080	4.4
123.11738	3.0
125.09603	12.1
128.06219	8.9
129.06999	35.0
131.08563	55.9
133.06532	4.4
133.10136	37.5
135.08049	7.0
135.11679	11.4
137.09613	4.0
137.13196	3.5
141.07002	7.5
142.07761	6.1
143.08568	27.8
145.06494	4.4
145.10126	37.8
147.08069	4.4
147.11699	35.3
149.09624	9.8
149.13272	4.8
155.08578	15.7
157.10149	28.6
159.11702	28.8
161.13287	15.5
163.11208	3.0
165.12758	4.2
167.08582	6.9
169.10127	20.8
171.11734	17.1
173.11819	6.4
173.13251	15.6
175.11179	9.9
175.14870	6.3
181.10110	10.1
183.11688	11.5
185.13251	18.8
187.11147	3.5
187.14851	10.4
189.11212	7.6
192.99150	3.0
193.12260	31.4
195.11740	6.8
197.13322	7.4
199.14807	14.3
201.16290	3.8
209.13223	6.4
211.13213	33.7
215.18008	4.2
217.82550	3.2
219.13797	3.2
221.13284	3.4
223.14922	7.3
227.12793	10.4
229.14334	11.6
231.21086	4.2
241.19545	15.8
243.08406	3.3
257.18921	3.2
259.20587	34.1
267.15918	9.9
277.21762	3.4
285.16977	20.6
297.22168	9.5
299.20236	3.8
299.23734	7.6
299.73578	3.3
301.21494	4.2
315.23212	15.8
329.66910	3.4
333.24277	18.7
371.25964	3.0
393.26944	3.6
433.30774	15.4
451.31976	19.9
469.33368	14.4
487.34714	7.1
507.34497	5.0
517.35211	7.1
525.35779	28.3
527.85138	3.1
538.86761	3.3
543.36908	88.4
561.37921	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19122	3.2
51.81866	3.6
53.03947	5.8
55.01867	10.4
55.05515	49.7
57.03429	8.0
57.07045	3.7
58.83242	3.3
65.03935	4.7
67.05184	6.2
67.05509	82.0
69.03440	5.0
69.07064	19.5
70.15235	8.7
70.15654	13.5
71.04987	6.9
79.05502	63.5
81.03401	11.8
81.07058	72.5
83.04961	12.5
83.08641	29.5
85.02870	4.9
85.06529	4.8
91.05499	47.2
93.07050	63.1
95.04940	7.0
95.08617	48.7
97.06548	7.4
97.10181	32.5
98.68953	3.8
105.07041	42.1
107.08604	46.3
109.06514	5.7
109.10175	27.4
111.04447	8.9
111.08088	12.0
117.06998	22.5
119.07950	3.5
119.08615	38.1
121.06477	4.3
121.10158	23.7
123.11714	8.2
125.09651	33.6
128.77814	3.6
129.06999	12.7
131.08578	36.2
133.10120	25.9
135.08078	4.9
135.11700	24.1
140.61734	3.9
143.08554	18.2
145.10149	29.1
147.11662	16.6
149.09612	6.3
149.13239	9.9
153.12727	4.2
157.10123	15.2
159.11736	24.3
161.13245	13.7
163.11180	10.4
169.10165	8.7
171.11685	8.0
173.09563	4.1
173.13229	17.4
181.12183	7.8
183.11676	4.9
185.13234	5.6
187.14832	9.2
189.11221	14.8
191.10762	5.0
193.12186	5.4
197.13234	8.0
199.14957	5.0
209.11624	5.9
215.14409	4.2
227.12820	46.3
227.84279	3.9
259.20679	8.3
261.22250	17.8
273.22147	4.9
283.15387	22.7
293.18683	3.7
299.23697	17.3
301.21683	8.2
317.24658	7.8
333.24072	8.9
335.25775	14.5
423.32486	5.7
433.30923	9.9
451.32339	23.4
469.33243	15.7
487.33792	14.3
515.37579	7.1
525.35754	25.9
543.36829	100.0
544.37384	4.7
561.37854	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01862	9.5
55.05276	5.0
55.05513	51.6
57.03428	10.2
57.07067	5.5
59.04988	4.6
61.79500	2.5
65.03934	4.9
67.05508	74.0
69.03433	5.5
69.07070	20.7
71.04990	4.6
79.05074	4.7
79.05499	55.3
81.03404	11.6
81.07058	68.0
83.01329	3.0
83.05001	14.7
83.08617	25.5
85.06544	4.0
91.05481	48.9
92.54990	2.7
93.07050	61.0
95.04956	11.3
95.08604	44.9
97.06528	8.6
97.10170	29.3
98.20779	8.5
105.07031	40.9
107.04967	3.7
107.08594	44.0
109.06513	6.7
109.10166	25.6
111.04441	13.9
111.08086	5.8
115.05421	2.7
117.07014	23.1
119.08592	38.0
121.06491	4.8
121.10144	32.0
123.08065	5.0
123.11694	11.8
125.09634	28.6
128.06212	2.5
129.06993	11.0
130.07788	3.5
131.08568	38.4
133.10132	22.3
135.08090	4.9
135.11693	20.8
142.07768	4.7
143.08595	13.7
145.06499	3.6
145.10118	32.8
147.07971	3.5
147.11720	14.0
149.09618	4.5
149.13280	10.0
153.12698	6.5
155.08534	8.8
157.10136	11.0
159.11703	17.1
161.13275	8.9
163.11180	16.7
163.14915	3.5
169.10121	5.5
171.07986	3.3
171.10231	6.4
171.11714	13.7
173.09598	5.7
173.13277	10.1
175.11198	3.9
175.14844	9.0
177.12773	4.4
181.12209	7.0
183.11636	8.0
185.13310	7.4
187.14847	8.0
189.11261	13.2
191.10591	7.5
193.12312	5.8
197.13174	4.8
199.14859	5.1
209.11710	9.0
213.16412	4.1
227.12814	37.3
235.14783	3.0
241.19598	3.9
243.21201	4.2
245.13792	3.8
259.20596	6.0
261.22079	12.9
279.23291	4.2
283.15393	21.7
299.23779	25.7
301.21680	8.2
315.23163	3.4
317.24661	14.2
335.25754	8.2
373.27283	3.4
423.32632	4.6
433.30930	10.0
441.33554	3.4
451.31961	17.9
456.39862	3.4
459.33807	3.5
469.33051	19.6
487.33963	12.0
515.36987	8.3
525.35736	21.3
543.36816	100.0
561.37964	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01866	9.2
55.05515	46.1
57.03433	8.5
58.94396	2.6
65.03947	3.9
67.05508	68.7
67.21144	2.8
69.03423	4.6
69.07067	17.8
69.79676	10.0
69.80090	6.5
71.04998	6.4
71.08631	2.9
79.05080	4.3
79.05499	51.2
81.03405	12.4
81.07060	68.3
83.04974	11.7
83.08620	27.4
85.06538	4.0
91.05486	46.1
93.07053	61.9
95.04963	11.3
95.08623	47.7
97.06516	8.4
97.10178	27.4
99.08080	3.6
103.05445	3.5
105.07037	41.6
107.04925	5.8
107.08593	43.2
107.88056	2.7
109.06490	6.0
109.10147	24.2
111.04436	13.6
111.08073	7.3
117.07017	21.9
119.08597	30.0
121.06533	3.3
121.10172	22.8
123.08067	5.5
123.11727	6.4
125.09655	19.4
129.07001	14.1
131.08577	35.1
133.10123	20.2
135.08002	7.8
135.11723	21.7
137.13191	3.5
143.08557	13.2
145.10135	29.9
147.08034	6.2
147.11685	19.1
149.09642	3.5
149.13266	5.5
153.06940	3.2
153.09100	3.1
153.12746	10.0
154.07666	2.9
155.08546	7.0
157.10106	9.4
159.11685	19.0
161.13251	13.0
163.11201	13.7
163.14764	4.4
169.10155	6.5
171.10233	4.1
171.11707	10.9
173.09746	4.6
173.11987	2.9
173.13274	17.3
175.14789	6.4
181.12221	8.5
183.11682	4.6
185.13298	7.7
187.14851	6.7
189.11269	14.1
191.10629	6.0
193.12350	3.3
197.13211	3.1
199.14824	4.6
201.16217	4.1
209.11630	3.7
211.13225	3.8
214.17085	2.7
220.50418	2.8
225.16328	3.4
227.12756	29.6
233.15155	3.5
241.19543	3.6
243.21025	3.1
245.13753	4.8
259.20670	5.4
261.22192	14.1
267.16083	3.5
278.56436	3.1
279.23041	3.2
283.15482	18.9
299.23621	20.2
301.21539	3.3
317.24774	15.1
333.24210	4.4
335.25671	13.7
392.33746	2.9
433.30984	9.2
451.32227	15.0
469.33109	17.7
487.34140	8.3
515.37189	6.9
525.35962	16.5
543.36871	100.0
544.36914	4.1
561.37836	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01870	7.0
55.05515	54.3
57.03422	9.0
57.07069	3.3
59.04969	2.9
61.94427	2.7
65.03940	4.7
67.05505	79.1
69.03429	4.6
69.07061	19.5
70.10785	4.7
70.11134	10.9
71.04973	6.2
77.03912	3.0
77.57339	2.7
79.05492	47.9
81.03410	10.9
81.07056	67.9
83.04996	14.4
83.08625	20.3
85.06506	2.9
91.05483	50.8
91.87495	2.6
93.06483	4.9
93.07050	59.0
95.04964	10.6
95.08611	46.1
97.06508	8.7
97.10175	38.2
105.07033	42.2
105.67751	2.7
107.04948	5.8
107.08595	36.6
109.06506	7.4
109.10152	28.0
111.04472	7.7
111.08074	6.9
111.09155	3.0
115.53050	2.6
117.07055	25.0
117.66085	3.1
119.08582	40.7
121.06500	3.8
121.10149	20.4
123.08069	5.9
123.11728	8.3
125.09653	23.2
128.06219	4.8
129.06993	12.1
130.07817	2.8
131.08557	33.9
133.10127	26.0
135.08080	4.7
135.11703	25.3
137.09599	4.2
141.07027	3.3
143.08586	10.4
145.10138	35.4
147.08041	3.8
147.11700	20.4
149.09644	3.1
149.13257	4.9
153.12769	5.4
155.08571	4.3
157.10152	6.4
157.67174	2.7
159.07988	2.9
159.11697	21.5
161.13290	9.7
163.11168	14.9
169.10193	4.1
171.10233	5.5
171.11710	11.8
173.09706	4.4
173.13239	14.0
175.11244	3.2
175.14774	4.3
181.12202	6.2
183.11681	6.1
185.13283	7.3
187.14882	5.1
189.11226	10.8
191.10652	7.7
193.12204	3.7
199.14857	5.5
201.16444	3.8
203.14334	3.5
209.11676	6.9
213.16406	2.6
227.12787	35.0
259.20599	6.4
261.22165	12.5
273.22324	3.1
277.21594	5.6
283.15463	14.0
299.23706	22.5
301.21628	5.4
313.49234	2.8
315.23218	3.8
317.24707	16.2
333.24026	5.1
335.25800	13.6
415.29782	4.4
423.32516	3.8
433.31036	11.2
451.32349	14.7
469.33154	17.9
487.34317	12.9
515.37482	5.6
525.35803	24.4
543.36896	100.0
561.37756	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
54.32590	2.4
55.01870	4.0
57.03429	5.4
61.02914	9.3
67.05499	7.1
69.03419	22.0
69.59907	18.8
71.04988	5.3
73.02920	4.3
79.05490	7.8
81.03432	13.4
83.01368	3.8
85.02905	47.4
87.04456	4.0
90.80806	2.6
91.03933	3.9
91.05466	5.6
95.04961	10.7
97.02898	23.0
99.04469	4.7
103.05443	3.1
106.06528	4.1
107.04954	6.3
109.02872	9.1
115.05509	2.8
117.05717	2.7
118.06545	11.9
121.35032	2.6
123.04425	3.8
124.03960	3.6
125.02343	11.1
127.03929	12.0
129.07013	5.7
130.06534	44.2
131.04910	3.0
132.84401	2.5
133.06453	3.6
142.06531	4.2
143.07306	10.0
144.08092	77.1
145.04962	5.8
146.06021	48.0
147.04388	2.9
149.06024	3.2
151.03909	57.2
154.06544	9.9
155.07274	6.0
156.08064	15.2
158.06055	2.8
158.09644	19.3
167.07312	22.1
168.08096	63.0
169.07619	39.7
169.08904	3.5
170.06027	9.6
170.09608	3.6
177.05473	3.4
180.08122	23.0
181.08842	4.4
182.06085	4.4
182.09709	27.2
183.06859	4.1
184.07646	4.1
188.07076	96.8
192.08073	12.0
194.09669	12.1
195.06638	3.6
196.07564	6.3
197.08267	3.2
200.07057	17.9
204.08124	6.2
205.08795	4.3
206.09679	5.7
208.07613	11.8
210.09175	23.6
212.10771	4.3
214.08633	10.4
215.08202	10.6
217.09477	3.8
218.09685	4.3
220.07513	16.1
220.11145	4.7
221.08383	8.1
222.09146	13.4
224.07156	6.7
230.09663	5.3
231.11189	9.3
232.11333	3.4
236.07071	8.4
238.08601	40.3
244.11192	8.4
248.07066	16.4
248.10747	3.9
249.07895	6.2
250.08722	14.9
256.09579	4.4
258.09189	5.8
259.10117	2.7
259.73334	2.8
260.10886	2.6
262.12253	4.9
263.08099	3.5
264.13828	4.7
265.09747	17.7
266.08130	8.6
272.10724	9.9
276.06616	2.9
276.09967	3.9
277.07370	5.2
280.13318	2.9
282.14926	3.8
285.12610	3.3
290.11685	8.8
292.13437	3.5
293.09351	4.5
293.12787	4.1
295.08456	12.0
300.10101	5.9
308.12762	18.3
311.10333	30.6
318.11215	6.2
320.12756	4.4
324.12332	4.6
326.13922	25.8
327.04834	4.0
329.11325	37.4
335.13892	19.9
337.15356	4.6
338.13733	4.8
346.10721	6.7
355.16245	3.7
363.13257	11.9
364.11731	15.4
381.14432	68.8
382.12827	59.8
398.86819	3.3
399.10632	12.1
399.15482	100.0
424.15149	3.4
468.45358	2.9
543.19360	4.7
544.18091	46.8
561.20581	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01864	4.0
57.03424	4.4
61.02923	8.0
61.07413	2.6
67.05506	6.6
69.03426	21.2
70.06606	2.6
71.04967	3.0
71.48970	4.1
73.02938	3.8
79.05495	7.2
81.03435	11.8
85.02911	43.5
91.05496	4.1
92.43212	2.6
95.04966	11.1
97.02913	21.4
99.04500	3.0
106.06558	6.0
107.04976	5.5
108.08096	2.8
109.02878	10.9
109.06562	3.0
111.05229	2.9
117.05712	3.7
117.07043	4.3
118.06544	10.5
121.06498	3.5
123.04430	4.6
124.03997	6.0
125.02360	6.6
126.05515	3.6
127.03918	11.4
129.07007	6.0
130.06532	44.1
131.04930	4.2
131.07263	2.9
132.08105	7.2
142.06561	3.9
143.07315	6.4
144.08089	68.7
145.04967	4.9
145.06407	2.4
146.06017	49.6
149.06044	4.7
151.03918	38.3
154.06546	13.6
155.07335	6.4
156.08102	18.5
157.08948	3.3
158.09656	20.9
163.03931	3.0
167.07330	16.8
168.08089	60.2
169.07628	33.0
169.08908	5.4
169.83836	2.5
170.06009	10.9
170.09691	3.8
177.05544	4.0
178.08629	8.2
180.08116	19.2
182.04808	4.6
182.06195	3.7
182.09653	23.7
183.06799	5.0
184.07639	5.0
188.07079	98.6
192.08115	9.6
193.08832	4.2
194.09679	12.0
195.06683	3.4
196.07614	8.4
200.07076	11.5
204.08110	6.7
205.08817	5.3
206.09627	6.0
208.07625	7.6
209.08423	5.7
210.09146	22.5
210.11194	7.3
210.25529	2.8
212.07091	2.6
214.08601	15.3
215.08148	9.1
217.09613	5.0
218.09630	4.8
219.10437	3.6
220.07632	16.0
220.11130	5.8
221.08444	5.5
222.09145	9.0
224.07100	6.4
230.09764	3.4
231.11256	11.4
232.07437	2.8
232.11095	3.6
234.09177	3.3
234.12863	4.2
236.07068	4.6
237.07805	4.9
238.08635	38.5
244.11124	5.9
248.07074	11.7
249.07767	3.2
250.08667	18.0
254.09543	3.5
262.12411	5.0
264.13818	7.4
265.09756	16.8
266.08173	8.5
267.11084	5.5
272.10748	10.2
280.13342	3.2
282.14841	4.4
285.12292	3.5
290.12070	5.4
293.09152	2.8
293.12833	4.9
294.07620	5.3
295.08417	12.2
300.10251	6.3
304.09579	4.5
308.12811	22.0
311.10242	34.2
312.08533	3.6
313.09207	2.7
316.20929	2.4
317.13043	3.5
324.12241	5.1
326.13925	26.2
329.11368	38.6
335.13943	20.3
335.89627	2.6
337.15381	3.1
338.13669	3.0
340.16837	2.9
346.10730	5.5
353.14993	5.0
355.16464	4.9
363.13492	7.9
364.11816	18.5
381.14514	61.2
382.12915	64.8
399.11118	5.0
399.15540	100.0
544.18213	37.8
561.20898	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	3.0
53.03944	12.1
55.01872	3.0
55.05519	33.8
56.12424	2.8
57.03431	7.8
57.07075	3.7
58.85983	3.1
65.03921	5.3
67.05508	90.5
67.91219	2.7
69.06801	2.4
69.07079	24.7
71.04985	3.5
79.05499	98.4
81.03413	11.9
81.06597	5.2
81.07061	100.0
81.07536	5.6
83.04981	12.0
83.08614	14.3
91.05488	85.2
93.07053	97.3
93.07639	6.2
95.04960	18.5
95.08614	60.2
97.06525	10.3
97.10172	6.1
99.08047	2.6
103.05485	2.6
105.04492	5.4
105.07037	51.7
107.04964	7.3
107.08602	30.9
109.06531	6.3
109.10158	19.1
111.08075	3.6
117.07024	15.9
119.08587	34.5
119.41873	3.3
121.10145	28.7
123.08033	5.4
123.11717	4.3
128.06200	3.4
129.07005	15.5
131.08575	24.5
133.10126	18.9
135.11691	18.3
143.08574	14.6
145.10138	19.8
147.08000	4.5
147.11693	38.5
149.13239	7.9
155.08525	4.9
157.10124	5.5
159.11694	9.6
160.88925	2.6
161.13292	13.4
163.14824	2.8
169.10161	3.6
171.11714	25.7
173.13258	7.5
175.14891	4.8
181.10085	3.3
185.13275	4.5
189.12769	7.6
197.13222	3.6
207.13837	21.9
243.21048	5.7
261.22217	10.4
279.15988	3.5
281.17487	30.1
317.24704	3.8
335.25864	49.2
355.87674	2.6
445.49149	2.9
462.68500	2.8
467.35458	4.1
501.32739	2.8
541.39032	78.9
548.46698	3.0
559.39990	17.4
570.98920	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	561.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.40882	0.3
56.96560	0.7
60.91665	0.2
62.01600	0.3
63.02377	0.7
67.05500	0.9
67.53955	0.3
68.98289	0.5
69.03388	0.4
71.48531	0.3
73.02881	0.3
74.29541	0.3
79.05501	3.2
81.03415	0.7
83.04974	0.4
85.02908	0.6
86.99339	0.4
89.03918	13.5
90.04271	0.5
91.05483	0.3
93.07030	0.4
94.79270	0.2
95.04972	2.4
95.75942	0.2
97.02898	0.4
98.97562	0.3
101.00887	1.0
103.02455	0.5
105.00416	0.6
105.04523	0.3
105.07029	0.9
107.04958	46.8
108.05282	0.3
111.02945	0.3
113.00908	0.7
115.02426	0.5
117.03384	14.2
118.03661	0.5
119.01907	1.7
119.04974	0.3
121.02874	1.0
121.06529	0.8
127.02422	2.1
129.03958	1.4
131.01904	1.0
133.03497	0.6
135.04416	26.1
136.04723	0.6
136.49361	0.2
137.04453	0.6
139.02405	0.4
139.03862	0.4
141.03955	0.8
143.00131	0.4
143.01909	1.0
143.05481	0.3
145.02695	14.6
145.04793	0.7
146.03116	0.4
147.03177	0.3
147.05058	0.6
149.05983	0.8
151.02394	0.6
151.03906	0.4
153.03978	1.2
155.01924	0.6
155.05518	4.7
156.97459	0.5
157.03465	0.8
159.05125	0.5
161.01346	0.2
161.02971	1.0
163.03900	100.0
164.04239	3.7
165.04092	1.1
167.07010	0.5
169.03467	6.7
170.99950	0.4
171.01379	1.1
171.03493	0.4
171.05005	3.2
173.02979	1.0
173.06599	1.8
177.03973	0.4
179.01945	0.4
179.05579	1.0
180.97513	0.6
181.03563	0.6
181.07114	6.4
183.04990	1.6
185.01030	1.6
185.02983	0.6
185.06589	0.6
187.02876	0.3
187.04509	4.6
191.01898	0.8
193.03462	1.9
195.05019	1.6
195.06552	0.4
197.02963	2.8
197.06618	1.5
198.98528	3.6
199.02722	0.3
199.08162	3.9
201.06187	0.6
203.01926	3.5
203.03908	0.5
205.07149	0.7
207.03270	0.4
207.05028	1.9
209.02907	2.3
211.02698	0.3
211.04532	0.5
213.00528	0.3
213.06142	0.5
215.04015	1.8
215.40273	0.3
216.99672	0.4
219.01746	0.3
221.02960	47.1
221.06569	1.3
222.03195	1.2
223.04774	0.4
223.08208	2.2
225.06105	3.3
229.05452	0.3
231.08792	0.7
233.04776	0.3
233.06776	0.6
233.10214	0.4
235.08176	0.3
237.00716	0.3
237.10049	0.3
239.04001	8.6
239.07649	0.5
240.99597	0.5
241.05585	0.3
243.05040	0.3
243.07227	1.5
244.04529	1.0
245.02882	0.8
245.05122	1.2
247.04584	1.5
247.08249	0.7
249.02805	0.5
249.06029	1.2
249.09723	2.2
250.59846	0.3
251.11482	0.4
253.05859	0.3
255.01749	0.5
257.05038	5.8
259.04510	1.7
259.08304	0.4
261.06033	0.9
263.03888	1.8
265.05576	0.5
267.07153	1.6
271.04507	11.0
272.04626	0.4
273.02884	0.6
273.06052	2.1
273.08542	0.3
275.07877	5.0
275.10980	0.6
277.05701	1.8
277.09207	0.8
283.04279	0.4
285.05811	0.5
285.08554	0.4
287.04025	3.3
287.07214	0.4
289.05582	4.5
291.07019	1.1
291.10577	0.4
293.08722	5.2
295.04211	0.8
295.06693	1.0
295.10190	0.6
297.02356	1.0
297.06052	0.8
299.03946	3.5
299.07095	0.4
301.01691	0.9
301.05472	0.4
301.09119	0.8
303.06787	0.6
305.05109	3.6
305.08463	0.5
307.06473	1.3
309.05783	0.5
309.08551	0.6
311.09680	0.7
313.05405	1.3
315.03455	2.1
315.07144	1.3
317.05701	1.2
317.08331	1.3
319.06613	1.0
319.10263	0.7
321.08151	1.0
323.06601	1.7
325.09113	1.0
327.07098	0.6
331.06592	3.3
333.04477	1.5
333.08075	0.7
335.09689	1.1
337.07736	1.2
339.09164	0.4
341.04947	1.4
343.10309	0.8
345.08160	2.1
349.07596	3.7
351.07114	3.9
353.10818	0.6
355.08405	0.4
359.06210	1.6
361.11246	0.6
363.09247	3.5
365.09561	0.4
367.08749	0.4
369.08029	8.9
370.08356	0.4
374.07632	0.4
374.57620	0.4
377.07159	37.0
378.07346	1.2
381.10294	17.4
382.10471	0.4
387.09247	5.2
395.08255	10.9
399.11386	22.0
400.11649	0.6
405.10449	2.4
413.08615	0.5
413.13565	0.3
418.09866	0.9
422.12637	0.5
437.09192	0.4
441.09570	0.4
447.11438	1.1
455.11081	0.3
463.06802	1.2
465.12415	1.9
543.13519	4.7
561.14551	8.0
569.13617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25767	2.7
51.02349	2.5
53.03939	10.8
55.01865	3.7
55.05518	33.8
57.03448	12.0
57.07095	2.9
57.42362	2.3
60.05809	2.2
65.03925	4.3
67.05509	94.7
69.07072	20.3
69.96783	11.8
71.04980	6.0
71.08636	4.0
73.06583	3.0
77.03922	3.4
79.05499	85.0
81.03416	9.8
81.06592	5.0
81.07058	83.3
83.04993	13.8
83.08604	9.7
83.32684	2.3
85.06544	3.6
91.05486	74.7
92.99481	2.3
93.07050	100.0
95.04951	19.3
95.07997	3.3
95.08611	59.4
97.06512	8.1
97.10154	4.6
98.21479	3.4
105.04531	3.7
105.07026	54.3
107.04941	6.9
107.08595	31.4
109.06514	10.1
109.10157	21.9
114.45257	2.5
117.06998	13.6
119.08585	32.2
121.06504	3.4
121.10143	17.9
123.08073	7.6
123.11708	4.9
128.06273	3.9
129.06973	18.3
131.08572	16.0
133.10138	20.1
135.11699	17.4
143.08559	12.4
145.10150	21.3
147.11690	37.4
149.13232	7.8
155.08566	4.2
157.10187	5.6
159.11653	9.4
161.09645	4.8
161.13255	14.9
163.11192	4.1
163.14827	4.2
169.10095	5.7
171.11699	28.1
173.13277	8.7
179.14317	12.5
183.11662	3.5
185.13208	4.8
187.14868	3.6
189.12743	10.7
197.13310	3.3
207.13802	23.2
243.21259	3.9
261.22086	8.7
277.21548	4.8
279.15955	5.0
281.17487	44.0
317.24670	3.5
335.25818	39.3
388.26822	2.8
449.34229	3.7
485.36307	4.0
541.38971	57.4
544.90564	2.8
559.40662	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	16.5
55.01854	2.7
55.05520	24.2
57.03425	10.4
65.03917	3.8
67.05508	100.0
69.07069	25.6
70.74326	7.0
71.04985	5.7
71.87705	2.6
77.03908	3.7
79.05500	98.4
81.03421	7.7
81.06598	4.0
81.07061	79.5
83.04966	11.5
83.08604	12.3
91.05489	66.6
93.07050	90.1
95.04986	16.2
95.08611	52.1
97.06525	4.1
97.10164	4.6
105.04523	5.9
105.07040	47.3
107.04943	6.3
107.08592	37.1
109.06483	6.3
109.10182	16.6
117.07050	19.6
119.08570	32.5
121.06448	3.5
121.10166	17.2
121.64354	2.5
123.08031	5.9
123.11723	6.3
126.41944	2.5
129.07005	11.7
131.08562	21.2
133.10168	15.6
135.11731	15.8
143.08556	11.9
145.10107	18.2
147.11699	34.6
149.13243	4.8
155.08467	5.7
157.10069	4.8
159.11703	9.9
161.09598	4.6
161.13274	14.5
163.14799	4.4
166.42744	2.5
169.10132	5.0
171.11696	28.6
173.13319	5.5
189.12778	6.9
207.13832	24.0
243.21158	4.3
252.78503	3.2
261.22281	13.7
279.15997	5.1
281.17487	36.8
283.59488	3.4
335.25772	54.4
361.97324	3.7
449.34317	3.6
467.34836	4.0
529.38226	2.9
541.38953	71.7
559.39594	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.2
53.03949	12.5
54.48308	2.1
55.01880	28.2
55.05520	50.8
57.03442	16.6
65.03946	7.2
67.05513	86.8
69.03436	5.1
69.06736	3.3
69.07079	48.4
71.05010	8.5
73.89741	2.9
76.78568	2.8
77.03929	3.3
79.05505	78.0
81.03428	51.8
81.07066	92.7
83.04991	21.5
83.08625	33.2
85.02903	10.5
85.06553	4.3
90.13868	2.3
91.05495	94.2
93.07056	58.7
95.01349	10.8
95.04990	31.4
95.08615	49.9
97.02929	4.1
97.06542	36.4
97.10176	15.2
99.08131	2.1
103.05469	4.1
105.04504	2.8
105.07044	95.6
107.04962	29.0
107.08607	37.1
109.06580	12.8
109.10172	25.3
111.08109	10.0
115.05475	6.5
115.50248	2.4
116.75265	2.4
117.07032	31.1
119.08593	56.3
121.06512	9.7
121.10143	19.5
123.04456	4.6
123.08077	9.6
123.11713	5.3
125.09649	12.9
128.06216	6.3
129.07018	23.9
130.07854	4.0
130.86905	3.0
131.08580	46.4
133.06548	7.8
133.10147	50.8
135.08087	7.3
135.11659	14.2
137.09648	3.5
141.07002	5.6
142.07805	6.9
143.08606	14.5
145.06494	5.6
145.10127	31.4
147.08066	5.7
147.11716	25.5
149.09619	14.1
149.13290	5.0
151.11180	2.8
155.08595	7.9
155.10680	2.3
157.10170	22.8
159.11720	26.0
161.09659	2.9
161.13304	11.6
163.11168	13.0
165.12749	3.9
169.10167	9.9
171.08099	3.1
171.11720	10.5
173.09618	5.2
173.11890	2.9
173.13286	9.7
175.11238	12.0
177.12729	4.6
179.14342	14.3
181.10176	3.6
183.11705	7.7
185.13290	9.4
187.11227	5.7
189.11238	5.7
193.12291	24.4
195.11787	3.7
197.09793	2.7
197.13252	5.4
199.14891	6.4
201.12720	3.1
205.12292	4.6
211.13246	16.6
219.13950	2.7
227.12799	5.6
229.19731	3.1
239.18080	4.2
247.20592	3.4
257.19061	11.9
267.15964	34.5
275.20087	100.0
293.21240	12.7
297.22214	5.5
301.21646	2.9
313.21649	9.5
315.23074	4.4
325.21616	5.6
331.22876	2.9
343.22690	3.1
349.23865	16.6
369.24570	2.7
373.23715	4.6
421.30917	4.0
431.29620	4.5
449.30518	6.7
467.31696	8.2
485.32593	7.0
523.34265	5.6
541.35352	57.3
559.36377	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40241	1.6
53.03940	5.0
55.01878	9.2
55.05514	48.8
57.03425	6.9
57.07073	2.7
65.03935	2.3
67.05510	53.7
69.03435	2.6
69.07074	17.7
70.11047	6.6
71.04984	4.3
79.05071	3.4
79.05499	45.2
81.03437	9.3
81.06602	2.5
81.07061	48.7
83.04995	9.5
83.08626	23.4
85.06503	3.9
89.86739	1.9
91.05486	45.7
93.07048	38.6
95.04970	12.0
95.08609	24.3
97.02941	2.0
97.06537	5.4
97.10175	31.6
99.08127	2.0
103.05423	2.6
105.06322	2.7
105.07036	43.2
107.04943	7.0
107.08600	30.5
109.06522	6.1
109.10173	10.8
111.04414	2.3
111.08060	5.3
115.05439	3.2
117.07037	28.9
119.08596	34.3
121.06490	2.5
121.10131	10.7
123.08107	4.6
123.11675	2.1
125.09637	31.7
128.06236	5.7
129.07019	20.0
130.07797	2.8
131.08574	38.0
133.06474	2.5
133.10136	23.7
135.08060	5.7
135.11687	10.8
137.09602	3.3
141.07002	6.8
142.07785	5.0
143.08582	21.7
143.38359	1.8
145.06427	3.7
145.10124	32.8
147.11711	20.5
149.09616	3.1
149.13228	6.3
153.12785	2.4
155.08583	10.1
155.29652	2.4
156.09418	3.1
157.10135	19.5
159.08052	3.1
159.11687	22.0
161.13263	10.6
163.11192	12.4
163.12344	2.1
165.42590	2.0
169.10133	10.8
171.10263	4.3
171.11693	14.3
173.09630	4.0
173.13298	11.1
175.11217	4.6
175.14857	4.2
177.12769	2.1
181.10173	5.2
181.12241	2.8
183.11737	10.1
185.09627	3.0
185.13300	9.5
187.11169	3.5
187.14851	6.5
189.11270	12.4
195.11725	5.3
197.13229	5.5
199.11182	2.6
199.14810	5.2
209.09653	2.2
209.11548	3.6
209.13286	5.7
211.14888	4.0
213.12747	2.7
213.16460	3.0
221.13338	2.9
223.14844	3.9
227.10625	2.3
227.12793	29.6
237.16193	2.8
241.19536	8.5
245.13716	2.8
248.56233	1.9
257.19125	5.6
259.20612	16.4
267.15887	2.5
275.20111	6.7
279.21048	2.5
283.15402	13.2
287.23831	4.2
289.21576	2.1
297.22107	19.3
299.20151	2.6
313.21640	2.9
315.23178	15.4
323.23505	2.1
331.22519	2.4
333.24167	5.2
353.24695	2.0
371.25983	2.5
403.30096	2.2
421.31161	4.7
431.29306	6.4
449.30411	15.3
457.33057	2.1
467.31519	16.5
485.32727	16.0
513.35474	6.2
523.34155	13.5
531.36560	2.2
541.35333	100.0
559.36267	54.2
560.36310	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	559.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.4
53.03942	8.1
55.01877	22.8
55.05521	57.3
57.03437	14.4
57.07089	3.6
57.22610	2.5
65.03946	9.5
67.05515	91.3
69.03441	5.7
69.07076	41.2
71.05003	9.0
76.09506	2.3
77.03932	3.3
79.05507	88.6
81.03429	65.4
81.06591	5.5
81.07067	100.0
83.04989	17.5
83.08627	33.7
85.02911	18.0
85.06543	6.9
90.33150	2.2
91.05494	88.3
93.07053	68.8
95.04969	32.0
95.08617	40.6
95.49495	2.4
97.02943	2.7
97.06544	20.3
97.10193	19.8
99.08093	3.7
105.04546	4.7
105.07050	88.2
107.04971	17.4
107.08608	50.4
109.06533	22.8
109.10178	28.2
111.04459	4.0
111.08105	11.6
113.06025	4.3
113.09650	2.8
115.05480	5.7
117.07018	30.0
119.08603	60.4
121.06519	11.1
121.10168	26.2
123.08097	9.6
123.11750	13.1
125.09664	13.4
128.06200	7.7
129.07005	22.2
130.07828	4.4
131.08580	48.2
133.06526	9.3
133.10158	46.9
135.08093	12.6
135.11716	9.5
137.09647	5.8
141.07039	7.7
142.07809	5.1
143.08551	18.8
145.06479	5.1
145.10158	39.5
147.08066	7.9
147.11720	32.8
149.09641	26.8
149.13362	6.1
151.11183	4.0
155.08569	7.9
156.09222	2.9
157.10129	24.2
159.08064	6.0
159.11736	20.8
161.09673	7.5
161.13322	8.0
163.11223	15.2
165.12901	4.6
167.08632	3.2
169.10196	9.2
171.07938	3.0
171.10399	3.8
171.11690	11.9
173.09662	5.5
173.13304	9.6
175.11208	17.0
177.12772	4.5
179.14391	8.3
181.10182	5.7
183.11754	11.4
185.13341	10.8
187.11319	2.7
187.14828	4.2
189.11259	7.5
189.12781	3.9
193.12274	38.0
195.11780	4.2
197.13364	8.9
199.14857	3.8
201.12804	2.9
205.12360	2.4
209.13454	2.4
211.11287	4.2
211.13228	28.6
215.14484	3.1
227.12804	8.9
229.19740	3.3
239.18103	4.9
257.19070	25.1
267.15952	23.4
273.18542	3.1
275.20108	69.4
285.16873	3.2
293.21164	3.6
297.22174	5.0
299.20148	7.5
313.21777	5.2
315.23288	6.6
331.22690	5.3
349.23865	10.2
373.23889	3.9
431.29303	4.4
445.29449	3.4
449.30594	10.7
461.29459	3.4
467.31607	17.0
485.32666	3.9
501.32489	3.1
523.34015	5.2
541.35205	43.3
559.36444	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59127	1.0
55.01878	1.3
57.03441	1.4
60.49921	0.8
61.02927	2.3
62.66822	0.8
64.25344	0.8
69.03426	7.9
71.49535	1.7
71.49902	1.1
73.02904	1.9
81.03407	2.6
85.02902	10.3
87.04469	1.7
91.05477	4.8
92.34930	0.8
93.07029	1.5
97.02887	5.2
99.04459	1.3
99.79800	0.9
106.06532	4.6
107.43822	1.0
109.02908	2.0
110.06020	1.3
118.06563	3.4
120.08118	42.0
127.03905	3.4
130.06519	2.2
132.08105	8.5
134.06018	2.3
137.06004	1.2
139.03912	17.7
144.08086	3.4
146.06020	5.7
148.07602	7.0
153.05441	0.9
158.06036	1.4
160.07582	5.4
170.09729	1.5
172.07538	2.1
174.05507	7.7
175.06293	6.5
176.07092	3.2
181.08817	1.4
182.09760	1.7
183.10477	1.1
184.07661	1.5
184.11263	2.5
186.09171	3.9
186.28650	1.0
188.07135	2.8
194.09683	3.8
196.07579	1.4
196.11357	1.4
200.07103	1.9
202.08649	1.6
210.05582	1.4
210.09195	1.3
212.10732	10.6
216.06548	3.1
222.09265	1.5
224.10837	1.6
228.06610	3.6
230.08098	2.9
235.12579	1.5
236.10780	3.4
245.06689	1.2
248.09082	1.8
249.13759	1.4
250.08507	1.3
250.10834	2.0
251.11874	1.3
258.07663	2.0
259.08328	4.4
259.12378	1.4
260.09219	4.0
262.10770	1.9
264.10208	2.5
277.13370	7.4
278.10315	1.5
282.11224	2.3
296.12936	2.6
301.13251	1.2
312.12482	1.2
314.13840	10.0
326.14008	1.8
347.14078	2.4
351.17242	1.4
365.15076	4.2
368.15094	1.9
379.16583	10.0
379.59808	1.0
380.15060	1.0
397.17566	32.1
401.45496	1.0
476.19125	16.5
517.82709	1.0
542.20239	4.3
545.98987	1.1
559.22888	100.0
560.23370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	4.9
57.87091	0.7
64.72829	0.6
66.74502	0.7
68.05037	15.4
69.03439	0.9
70.20200	2.0
70.20585	1.1
74.06561	0.7
85.02932	2.0
87.04474	1.5
88.07658	0.9
95.04982	1.2
96.04495	2.7
97.02907	1.2
100.18862	0.7
101.51724	0.8
102.09207	1.3
103.05469	0.9
108.08131	2.2
114.39475	0.7
117.07018	1.0
127.03963	1.3
128.06247	1.6
128.07059	1.6
129.07019	3.1
130.06532	3.5
131.07339	0.8
138.09222	0.9
143.07355	3.2
143.08618	3.3
144.08093	40.4
152.07130	0.9
154.06549	1.1
155.06207	1.2
155.07268	5.3
156.08096	13.6
157.08878	1.5
158.08368	0.6
158.09644	16.4
166.08656	9.3
167.07317	5.9
168.08102	4.1
170.09662	52.9
172.09822	1.6
172.11316	2.2
172.87811	0.7
182.09665	22.6
182.11215	1.4
184.09984	3.0
185.10786	2.8
187.12366	0.7
197.10786	2.5
198.11269	18.8
199.12317	49.2
200.12769	0.9
221.10860	2.3
223.12357	2.4
251.15498	6.2
277.13361	1.1
310.66959	0.7
328.13925	4.7
334.15002	1.3
360.16443	6.9
364.20657	1.0
372.16434	0.9
374.18365	2.0
375.12042	1.3
469.28970	0.8
526.25616	7.7
558.28168	100.0
559.28522	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	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16558	3.3
52.81276	3.0
53.03949	4.5
53.80080	2.9
55.01871	3.9
55.05503	23.0
57.03438	22.1
57.07078	42.0
62.50701	3.8
63.90461	4.1
67.05505	31.5
69.03414	3.6
69.07059	13.7
69.17704	11.9
69.18127	23.6
71.05006	3.4
71.08633	33.3
79.05504	24.7
81.03421	51.3
81.07055	39.7
83.04990	17.2
83.08614	29.9
85.02901	24.2
85.10177	12.0
88.21753	2.8
89.06036	3.9
91.05479	35.5
93.07047	19.9
95.04971	22.6
95.08604	36.1
97.06500	4.8
97.10164	5.9
100.42374	3.2
102.25025	3.2
105.07045	23.0
107.04952	6.3
107.08588	4.9
107.42210	3.2
109.06506	6.1
109.10133	10.0
111.08071	10.5
119.08569	20.3
121.10155	8.9
129.06995	8.9
130.98457	3.3
131.08588	9.1
133.10132	11.1
147.11696	11.7
149.09596	7.8
157.10136	14.0
175.11221	15.6
193.10664	4.9
193.12263	45.1
195.13062	3.8
211.13292	59.0
267.15991	19.7
283.86673	3.8
285.16980	66.8
313.27356	100.0
315.05069	3.4
424.30518	3.8
428.30609	3.7
434.88681	3.2
505.38724	11.6
523.39941	55.5
588.39307	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	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.4
57.03428	11.8
57.07075	30.5
66.12225	2.7
67.05506	19.8
69.03440	6.0
69.07057	10.0
69.34927	9.4
69.35350	15.4
70.06551	3.3
70.61345	2.8
71.04987	3.9
71.08634	23.9
79.05491	15.9
81.03413	51.6
81.07058	28.1
83.04979	17.1
83.08616	31.3
85.02905	18.0
85.10177	15.1
89.06024	4.1
90.43147	3.1
91.05480	20.1
93.07053	13.9
95.04974	24.6
95.08617	22.7
97.10143	5.4
105.07016	13.2
107.04899	3.8
107.08570	7.0
109.06528	3.7
109.10157	11.3
111.08052	10.1
119.08604	16.1
121.06487	3.4
121.10148	7.0
123.11668	5.7
129.06960	6.5
131.08548	7.7
133.06453	3.6
133.10143	7.8
147.11691	10.2
149.09628	6.2
157.10118	9.5
167.49538	2.9
175.11201	13.0
179.46126	3.4
185.48576	3.2
193.12260	39.0
211.11380	3.9
211.13315	69.0
256.26331	4.8
267.15955	12.4
283.26157	3.7
284.26547	4.7
285.16946	55.8
296.45578	3.4
297.82175	3.3
301.29306	3.6
313.27380	77.1
330.40060	4.2
505.38504	7.3
523.39972	100.0
558.53821	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.9
53.03934	8.2
55.01867	5.2
55.05516	37.6
57.03423	8.5
57.07063	6.9
65.03919	2.7
67.05508	74.7
69.03427	4.7
69.07075	22.5
69.15371	8.5
69.15787	13.0
71.04983	6.2
71.08644	4.1
72.08138	6.2
79.05497	62.4
81.03426	10.4
81.06596	3.6
81.07061	65.9
83.04976	6.9
83.08627	17.4
85.06549	5.5
85.10101	2.2
87.80709	2.0
89.06022	6.0
91.05487	50.8
93.07046	57.0
95.04987	13.7
95.08611	51.4
97.06533	10.8
97.10167	9.5
99.08077	3.8
105.07036	44.9
107.04977	10.5
107.08591	31.6
109.06491	4.0
109.10153	22.5
111.08083	5.6
114.70333	2.1
115.05463	4.9
117.07024	28.8
119.08594	38.0
121.06486	4.1
121.10152	23.1
123.08069	4.6
123.11735	3.9
125.09649	5.7
126.80566	2.1
128.06232	5.8
129.07007	22.7
130.07797	3.5
131.08559	42.0
133.10123	26.2
135.08023	4.8
135.11690	12.8
137.09660	2.8
141.06984	7.7
142.07864	4.9
143.08598	23.7
145.06482	4.7
145.10144	33.8
147.08043	4.2
147.11694	16.7
149.09587	4.0
149.13263	5.8
155.08548	18.7
157.10141	21.5
159.08043	3.7
159.11696	21.4
161.09650	3.2
161.13278	10.6
163.11174	5.8
167.08578	10.2
169.10161	20.7
169.12178	2.3
171.11713	24.9
173.13251	15.3
175.11156	3.6
175.14857	7.2
177.12813	3.8
179.08563	3.9
179.14432	2.5
181.10184	13.9
183.11690	18.3
185.13249	15.6
187.11240	3.0
187.14844	9.4
189.11241	2.5
189.12733	3.1
195.11670	11.5
197.13293	15.4
199.14883	8.1
201.12769	2.8
203.17821	2.5
207.11749	5.0
207.13818	3.2
209.13272	8.3
211.14848	10.8
213.16354	10.1
215.14001	2.8
221.13284	4.6
223.13045	10.0
223.15051	3.9
225.16295	2.8
235.14825	2.8
237.16322	2.8
241.19638	5.0
247.17018	3.7
253.19614	2.4
257.19220	3.0
259.20712	12.6
261.22144	3.3
269.19107	2.3
275.20078	2.9
276.57541	2.1
279.16028	4.3
281.17596	7.8
283.26511	2.3
295.20691	2.2
321.21960	3.1
323.23773	2.5
333.24326	4.8
353.25037	3.0
419.32925	5.1
429.31659	5.0
437.33957	15.7
447.32690	24.9
465.33505	26.5
467.37811	3.3
483.34756	18.6
485.34671	2.7
511.38174	3.0
521.36395	7.4
527.37036	4.1
527.87555	2.4
529.38788	5.8
539.37378	100.0
540.37634	3.7
557.38428	82.3
557.52203	3.4
558.38751	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	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38918	5.3
58.61361	4.6
66.91094	4.6
69.65338	10.0
69.65744	25.4
91.05492	23.6
103.05457	7.5
105.07042	11.4
107.04990	26.5
119.04958	21.3
129.07033	9.5
131.04929	24.2
133.06458	8.2
135.07997	6.6
137.06004	86.0
147.04480	12.5
149.06042	5.8
151.07558	62.5
152.57167	6.2
157.06522	5.4
161.06012	95.5
161.09616	17.8
162.06750	9.8
163.07550	50.9
174.06754	5.8
175.07600	14.3
179.07045	7.3
181.08565	12.6
189.09113	56.8
195.08061	7.9
207.10170	100.0
219.10199	9.3
221.06131	6.7
222.10609	4.9
227.10712	13.8
227.53358	5.2
253.08604	10.4
253.12248	6.7
255.10191	7.9
281.11639	5.9
285.11301	16.5
287.12769	48.7
299.12732	6.8
311.12817	12.3
313.14319	43.7
331.15424	71.0
343.15445	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01871	5.4
55.05241	1.5
55.05511	28.9
57.03440	4.6
57.07079	5.3
65.03948	3.6
67.05510	71.7
69.03426	2.5
69.07077	17.8
69.92761	2.2
69.93172	6.6
71.04987	4.0
79.05497	55.4
81.03426	13.2
81.07060	63.7
83.04984	7.0
83.08620	11.9
84.65969	1.3
85.06547	3.7
89.06015	3.5
91.05485	43.1
93.07050	57.2
95.04977	16.0
95.08610	38.2
95.09082	1.1
97.06537	4.9
97.10174	10.3
101.62552	1.3
105.04533	2.3
105.07033	31.6
107.04953	12.2
107.08599	26.4
109.06528	4.1
109.10165	24.4
111.08090	5.3
115.05465	5.3
117.06219	2.9
117.07001	24.4
119.04999	1.8
119.08597	25.1
121.06542	4.9
121.10154	19.3
122.13521	1.5
123.08080	4.9
123.11698	2.7
125.09668	6.4
128.06235	5.0
129.06972	13.6
130.07713	1.4
131.08582	30.6
133.06506	2.7
133.08640	1.6
133.10150	15.6
135.08099	4.1
135.11693	15.9
137.09636	2.3
141.07011	5.5
142.07826	2.4
143.08572	11.9
145.06506	4.5
145.10106	20.2
147.08075	2.5
147.11700	9.6
149.09599	2.7
149.13281	6.3
155.08592	5.9
157.10149	11.9
159.08047	2.8
159.11679	17.8
161.09650	1.6
161.13300	5.2
163.11194	3.4
167.08632	3.3
169.10164	8.1
171.11658	9.2
173.09740	2.0
173.11876	2.4
173.13289	6.4
175.14905	4.3
177.12770	3.4
181.10153	4.5
183.11743	9.4
185.13266	9.3
187.11246	5.5
187.14879	4.2
189.11266	4.3
189.12793	2.4
193.10120	2.5
195.11690	3.5
195.13887	3.9
197.13329	5.1
199.14896	3.9
200.58377	1.6
205.12302	4.1
207.13911	1.5
209.13318	3.0
211.14876	4.6
213.16504	2.0
223.13266	24.0
225.16586	2.1
227.12793	2.9
229.14450	3.0
235.14865	2.3
241.14598	2.5
259.20627	2.3
261.22232	4.9
275.20227	1.4
279.15930	12.4
295.20514	2.0
297.22116	3.7
311.23615	3.2
313.25388	3.2
315.23273	1.9
317.24780	1.7
329.24948	5.1
385.27682	2.0
429.31708	2.0
437.34271	3.2
447.32599	7.9
465.33679	11.2
467.37421	2.5
483.34973	5.0
521.36090	1.8
529.39075	3.9
539.37280	29.1
557.38477	100.0
557.52942	3.8
558.38776	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03943	6.9
55.01880	3.0
55.05517	24.6
57.03429	6.6
57.07067	3.1
60.69378	1.4
65.03942	3.1
67.05506	37.5
69.07067	21.9
69.24463	13.1
69.24881	3.0
71.04982	5.4
73.18821	1.7
78.75842	1.5
79.05496	42.0
81.03423	5.5
81.06591	3.0
81.07060	49.5
83.04979	5.9
83.08615	11.0
85.06550	3.8
88.41256	1.5
89.30317	1.3
91.05479	42.9
93.07047	43.7
95.04966	6.7
95.08609	31.6
97.06527	7.0
97.10175	4.8
100.88438	1.5
103.05463	2.3
105.07036	40.7
107.04953	7.4
107.08592	23.1
109.06513	3.2
109.10162	13.2
111.08073	2.0
115.05443	2.2
117.07037	15.2
119.08587	33.9
121.06519	3.8
121.10123	12.4
123.08060	4.7
123.11723	3.2
125.09601	2.6
128.06247	6.0
129.06999	19.0
130.07819	1.7
131.08571	33.0
133.06522	2.0
133.10127	22.5
135.08061	4.6
135.11687	10.9
137.09647	2.1
139.11163	2.0
141.06958	8.4
142.07782	6.2
143.08568	29.2
145.06618	3.2
145.10135	29.9
147.08040	3.5
147.11694	18.1
149.09613	2.7
149.13280	5.0
154.07767	4.7
155.08560	23.2
156.09367	3.8
157.10147	18.7
159.08099	2.7
159.11702	22.2
161.09558	3.4
161.13254	11.7
163.11191	5.6
167.08554	9.0
169.10156	24.4
171.08063	2.1
171.11694	26.3
173.09578	2.5
173.13260	14.2
175.11089	1.9
175.14885	5.6
177.12756	2.9
179.08549	4.3
181.10165	14.2
182.10930	2.1
183.11700	19.5
185.13269	17.8
187.11194	3.8
187.14807	6.1
189.12755	2.2
193.10106	4.3
194.11098	1.7
194.74765	1.5
195.11667	12.2
196.12456	1.8
197.13217	13.4
199.11142	1.9
199.14828	9.5
207.11725	5.1
207.13701	2.6
209.13222	12.1
211.14813	9.3
213.12692	1.9
213.16411	10.6
215.14307	2.1
219.11746	2.2
219.17508	1.9
221.13283	3.4
223.14836	6.8
225.16438	4.2
229.19653	1.6
231.17471	1.7
235.14795	3.6
235.16954	2.0
237.16388	5.1
239.17760	1.9
241.19499	6.3
247.14693	2.1
247.16960	3.7
249.18663	1.7
251.18069	2.8
257.19037	2.6
259.20575	12.3
261.18539	1.8
265.19751	1.8
275.20169	5.1
279.15894	3.0
281.17404	8.6
297.22150	1.6
307.20547	3.0
311.20053	2.7
311.23712	1.9
313.21732	3.0
315.23203	1.7
321.21826	2.0
323.23700	3.6
333.24207	4.7
335.23572	3.3
337.25522	1.8
339.23145	2.2
341.24979	1.7
346.96814	1.9
349.25076	2.8
353.24622	3.6
419.33142	6.0
429.31430	7.0
435.32507	1.7
437.34027	10.2
447.32645	28.4
464.63248	1.6
465.33701	29.5
483.34778	19.4
501.36023	3.7
503.35046	2.0
521.36237	8.4
527.37134	2.4
529.38660	8.1
539.37402	100.0
540.37500	5.0
557.38605	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01869	3.4
55.05515	24.9
56.45996	1.3
57.03432	6.2
57.07065	2.9
57.98410	1.6
59.04986	2.6
65.03934	2.6
65.29330	1.5
67.05504	39.9
69.07071	14.5
69.24781	3.8
69.25184	9.6
71.04987	3.4
76.59615	1.7
79.05495	38.5
81.03418	3.6
81.06598	2.6
81.07058	42.9
83.04971	4.8
83.08623	8.8
85.06541	4.6
91.04980	2.9
91.05486	36.8
93.07047	39.0
95.04966	5.9
95.08620	27.8
97.06533	3.7
97.10167	4.2
99.39243	1.7
105.07036	32.5
107.04980	4.5
107.08607	16.3
109.06510	3.1
109.10161	10.4
111.08046	2.4
115.05463	3.6
117.07029	17.8
119.08593	27.3
121.10141	12.1
123.08094	3.9
123.11726	2.0
123.47563	1.4
128.06216	7.4
129.07018	17.4
131.08569	29.5
133.10121	17.4
135.08102	2.2
135.11708	8.3
137.09563	2.5
141.06958	10.4
142.07791	5.1
143.08563	25.8
145.10118	29.1
147.08044	3.9
147.11687	18.7
149.09575	2.8
149.13313	3.3
154.07791	3.8
155.08542	19.6
156.09399	2.3
157.10132	22.7
159.08049	2.0
159.11693	15.7
159.65215	1.5
161.09610	1.9
161.13257	9.4
163.11174	1.9
165.07091	2.9
167.08562	7.9
168.09354	2.3
169.10139	23.2
170.10965	2.0
171.11673	22.4
173.09634	2.1
173.13287	12.2
175.11200	3.3
175.14844	5.1
179.08583	2.3
180.49913	1.5
181.10135	12.6
182.11003	2.6
183.11702	19.2
185.09602	2.5
185.13301	13.8
185.64928	1.7
187.11249	3.4
187.14847	4.4
189.12830	3.1
193.10063	4.2
195.11736	14.6
197.13240	11.6
199.14838	7.0
201.16417	2.5
207.11707	5.3
207.13739	2.9
209.13225	10.6
211.14804	7.6
213.16409	10.3
219.11667	2.8
221.13237	3.8
223.14838	7.3
225.16367	5.2
231.17513	2.5
235.14894	4.6
237.16437	5.5
239.17986	2.5
241.19586	7.5
247.16829	2.3
249.16389	1.9
251.17958	2.5
257.19086	3.6
259.20560	14.0
277.21796	2.0
279.16058	4.7
281.17230	10.4
283.20465	2.4
297.22174	1.9
307.20477	2.4
323.23624	2.7
325.25394	2.5
333.24417	4.0
335.23871	3.5
337.25281	2.0
341.24603	1.9
347.23956	2.0
353.24728	2.8
367.26035	2.1
419.33069	4.7
429.31516	5.7
437.34277	12.6
447.32523	27.1
465.33688	26.9
483.34775	21.7
501.35550	2.8
511.38037	2.2
521.36200	8.4
527.37653	2.4
529.38928	6.6
539.37347	100.0
540.37878	2.7
557.29761	2.8
557.38348	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
55.05522	13.2
56.02578	1.9
60.90590	1.5
61.71523	1.4
67.05513	17.8
67.61871	1.5
68.75166	1.8
69.03437	4.3
69.07077	5.0
70.16396	5.4
71.04988	2.3
79.05502	19.2
81.03433	18.6
81.07070	16.4
83.05000	3.5
83.08630	7.6
91.05502	13.4
93.07050	12.0
95.04990	10.5
95.08631	8.3
97.06550	3.2
97.10188	10.8
98.98468	4.7
105.07036	10.3
107.04967	13.2
107.08605	8.4
109.06508	3.2
109.10185	5.9
111.04474	2.2
111.08080	2.1
117.07034	7.1
119.08591	8.5
121.06522	14.3
121.10136	3.2
123.08096	2.3
125.09650	7.2
129.07021	4.7
131.04895	1.6
131.08582	7.5
133.06485	4.1
133.10176	5.2
135.08078	5.1
137.06065	2.3
138.58707	1.7
141.07007	2.6
143.08598	3.7
145.06549	4.1
145.10153	6.2
147.08069	4.7
147.11714	4.6
149.09691	3.2
151.07620	2.0
153.09148	5.7
155.08585	2.8
157.10106	3.4
159.11729	1.9
161.05994	2.0
161.09630	3.0
163.11263	3.4
169.10167	2.5
171.11702	2.5
173.09677	3.1
175.11192	2.9
187.11308	2.6
193.12257	18.1
199.11079	1.9
217.04918	3.3
217.12288	2.8
227.12822	3.8
233.15413	5.4
249.14769	2.0
255.02533	1.7
273.14694	2.8
307.70493	1.8
329.13519	1.7
339.23401	2.4
347.12265	2.0
349.21799	2.5
357.24603	3.7
367.22723	6.1
385.23798	11.9
403.24872	4.6
441.26563	2.6
459.27499	100.0
557.33313	15.8
568.92480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03950	9.8
55.01875	21.7
55.05516	39.0
55.71400	1.4
57.03441	6.8
57.07092	2.6
59.04999	3.6
65.03938	5.7
67.05510	56.3
69.03439	3.9
69.07073	40.5
69.68076	1.5
70.79742	1.8
70.80086	3.4
71.04992	4.6
77.03942	1.7
79.05499	62.7
81.03420	21.8
81.07061	68.8
83.01348	5.8
83.04994	19.4
83.08625	17.4
85.02921	2.8
85.06553	2.6
91.05488	80.1
93.07050	56.3
95.01337	16.0
95.04979	16.9
95.08612	41.2
97.06538	31.2
97.10181	7.0
99.04499	1.6
99.08097	2.2
103.05489	3.7
105.04501	1.8
105.07037	93.5
107.04962	26.1
107.08600	30.1
109.06547	9.2
109.10165	11.5
111.04472	3.7
111.08117	5.7
115.05513	3.8
117.07027	24.2
119.08595	47.4
121.06531	5.5
121.10137	13.9
122.88933	1.5
123.04430	5.5
123.08067	9.0
123.11675	2.3
125.09643	4.7
129.07021	6.7
130.07840	2.7
131.08574	35.6
133.06535	2.1
133.10144	51.8
135.08031	7.8
135.11713	12.4
137.09662	4.2
139.07611	3.3
141.06981	2.7
141.09061	1.7
143.08536	7.4
145.06471	2.2
145.10136	37.8
147.08055	2.5
147.11690	21.8
149.09641	6.9
149.13281	4.2
151.07626	1.8
151.11195	2.0
153.12759	2.3
155.08630	3.0
157.10190	6.0
159.11682	12.4
161.09639	3.1
161.13297	5.7
163.11192	21.4
165.09154	3.1
169.10135	4.1
171.11740	3.8
173.09637	3.5
173.13290	6.2
175.14799	1.7
177.12743	5.0
179.14334	23.3
181.12276	2.2
183.11719	4.7
185.13318	2.7
186.71620	1.5
187.11220	4.9
191.10721	3.4
195.13782	1.7
197.13460	3.0
201.12839	1.9
205.12320	2.4
209.11789	3.9
215.17998	2.6
219.13792	2.7
219.17491	2.4
223.13312	2.0
227.12828	3.2
229.19565	2.4
239.18027	4.5
247.20621	2.9
257.19037	10.5
275.20078	100.0
276.20517	2.3
283.15399	3.3
293.21121	6.0
300.98956	1.5
329.12973	1.5
349.23795	5.1
354.69049	1.7
358.67218	1.6
465.29614	2.3
539.33765	4.1
557.34875	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68702	1.1
53.03932	1.3
55.01869	1.5
55.05521	7.6
57.03420	4.0
57.07081	24.2
58.06595	2.2
67.05508	10.2
69.07074	6.3
69.27719	9.4
70.06598	13.3
71.08636	15.9
73.02925	1.7
74.72469	1.0
79.05493	6.4
81.03404	1.3
81.07058	13.7
83.04960	1.1
83.08618	6.1
85.10192	7.8
86.09695	3.3
87.04447	1.0
88.07630	7.4
89.06027	8.2
91.05494	2.7
93.07046	11.6
95.04985	2.4
95.08614	21.5
97.06555	1.9
97.10166	2.4
102.09177	2.6
105.07028	4.1
107.04948	2.5
107.08596	9.7
108.81291	1.0
109.10153	4.1
117.07027	4.7
119.08577	2.9
121.06519	1.6
121.10159	4.7
132.10234	5.1
133.08617	4.7
135.11682	15.6
145.10150	9.9
146.11775	5.4
163.11188	21.5
176.33653	1.1
177.11270	2.1
181.12270	3.8
207.62329	1.2
227.12793	31.9
256.26392	10.8
272.25867	2.1
283.15414	26.8
283.26312	46.8
300.29007	25.2
311.29422	3.9
313.27368	42.6
371.22729	2.0
425.56046	1.2
441.48801	1.1
465.06277	1.1
470.17130	1.1
521.38385	32.1
526.15509	1.2
556.53021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30339	2.3
82.99849	2.8
97.01830	0.7
101.00887	13.6
109.01440	1.0
109.02836	1.0
113.00877	3.4
115.02440	1.0
119.01929	10.7
122.01369	1.5
125.04480	0.6
127.02415	6.7
129.00368	1.0
129.03923	0.8
131.01917	5.8
137.00883	0.8
137.01889	1.3
139.02371	1.8
143.01907	20.1
145.03461	11.9
145.04530	1.0
147.01332	0.8
151.02354	1.2
152.02393	1.1
153.03998	3.0
155.01901	14.1
157.03485	5.3
161.02980	9.5
167.01884	10.3
167.03114	0.9
169.03477	27.5
171.01483	0.7
171.05040	8.5
173.01599	1.2
173.02975	13.0
179.01917	6.0
181.03467	2.3
183.05009	1.0
185.02963	28.2
187.04530	14.8
189.06194	0.7
193.03464	1.1
195.04993	0.7
197.02972	21.7
199.04576	2.3
203.02199	1.2
203.04001	7.5
209.02943	1.7
211.04541	3.4
213.02493	1.7
215.03999	16.7
221.02986	0.7
221.05077	1.0
224.04558	1.5
226.18112	0.7
227.04036	8.5
229.05536	1.5
233.05145	1.5
239.04056	1.7
241.05560	1.0
245.05086	77.3
246.05272	2.1
254.05771	1.0
257.05060	5.0
263.06152	8.8
271.06689	0.7
275.06128	100.0
276.06369	2.9
284.06631	2.5
287.06152	8.4
291.00937	0.7
293.07175	6.9
305.07172	17.7
317.07230	2.9
319.08841	0.8
335.04449	0.7
335.08197	9.9
347.08151	1.5
359.08249	1.9
365.09341	12.7
377.09369	4.4
395.06436	0.8
395.10910	0.8
539.12836	0.7
557.15460	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	556.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03441	2.8
61.02920	1.3
65.03930	2.0
69.03435	4.3
69.28693	4.0
71.01342	0.9
73.02921	11.8
81.03403	1.2
85.02903	8.4
87.04481	0.6
91.05485	100.0
92.05813	0.6
97.02894	9.3
101.91068	0.4
105.07034	0.7
107.04967	0.7
109.02853	0.5
115.03930	3.4
117.07069	0.9
120.08143	0.5
127.03892	2.7
133.04984	3.4
133.06519	0.7
137.06013	0.6
145.04964	2.7
145.06506	0.4
147.04440	0.9
163.06068	0.8
163.07516	0.5
167.03450	1.2
171.08177	0.4
175.07591	0.6
193.05055	0.5
195.10156	1.1
223.06017	0.5
227.06963	0.5
227.10155	0.4
241.07056	0.6
245.08104	4.1
378.77774	0.5
485.18893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03441	2.8
61.02920	1.3
65.03930	2.0
69.03435	4.3
69.28693	4.0
71.01342	0.9
73.02921	11.8
81.03403	1.2
85.02903	8.4
87.04481	0.6
91.05485	100.0
92.05813	0.6
97.02894	9.3
101.91068	0.4
105.07034	0.7
107.04967	0.7
109.02853	0.5
115.03930	3.4
117.07069	0.9
120.08143	0.5
127.03892	2.7
133.04984	3.4
133.06519	0.7
137.06013	0.6
145.04964	2.7
145.06506	0.4
147.04440	0.9
163.06068	0.8
163.07516	0.5
167.03450	1.2
171.08177	0.4
175.07591	0.6
193.05055	0.5
195.10156	1.1
223.06017	0.5
227.06963	0.5
227.10155	0.4
241.07056	0.6
245.08104	4.1
378.77774	0.5
485.18893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01874	6.3
55.05273	1.4
55.05515	17.6
57.03432	2.2
58.38943	1.3
65.03936	1.2
67.05510	30.0
69.03421	2.6
69.07064	7.2
71.04990	9.9
79.05497	23.4
79.46490	1.2
81.03419	3.2
81.07058	44.0
83.04987	5.5
83.08627	10.9
84.16553	1.1
85.06538	1.5
91.05484	19.1
93.07042	15.9
94.69300	1.1
95.04971	13.7
95.08617	9.6
97.06538	3.6
97.10171	14.2
98.20817	4.5
98.21527	2.9
99.04479	1.9
99.08085	1.4
105.04504	1.2
105.07030	11.2
107.04967	7.4
107.08603	14.7
109.06539	5.7
109.10160	14.9
111.04459	6.3
111.08067	3.9
117.07028	10.0
119.08593	21.9
121.06554	5.4
121.10120	6.8
123.08070	7.8
125.09653	9.5
129.07040	3.1
131.08565	10.0
133.06508	2.2
133.10109	7.1
135.08041	5.6
135.11707	4.6
137.09634	5.1
142.07707	1.3
143.08563	4.8
145.10141	11.5
147.08067	10.2
147.11707	2.8
149.09621	6.4
149.13370	1.3
151.11191	1.5
153.09125	3.2
153.12721	1.8
155.08540	1.9
155.10719	1.4
157.10149	5.1
159.11694	3.2
161.09663	4.0
161.13315	2.1
163.11182	9.6
165.09143	4.3
169.12225	2.0
171.10210	1.7
171.11681	3.0
173.09622	3.0
173.11703	2.7
173.13168	1.3
175.11143	1.5
181.12282	4.8
189.11217	8.1
191.10695	4.4
193.12215	2.3
209.11688	2.0
213.12744	1.6
223.13278	5.4
227.12817	3.8
245.18990	2.2
249.14926	3.6
255.17407	3.5
273.15494	1.6
273.18503	24.5
273.21298	2.1
275.20187	2.8
291.19550	100.0
293.21167	1.2
305.21185	3.4
309.20590	3.8
323.22287	1.9
358.88583	1.2
389.23190	1.4
445.29446	4.1
556.36780	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	555.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.7
53.03946	13.6
55.01883	29.8
55.05265	3.4
55.05518	35.3
57.03441	6.0
57.07094	2.1
59.05007	2.0
65.03960	4.1
67.05514	96.8
68.05846	1.9
69.03416	2.3
69.06727	3.7
69.07081	43.0
70.67657	3.6
71.05009	6.5
73.06537	2.0
77.03941	3.0
79.05503	100.0
79.68507	2.0
81.03435	16.6
81.07066	81.5
81.25353	2.0
83.04993	18.4
83.08624	14.1
85.06570	3.2
91.04916	4.8
91.05487	95.5
93.07058	71.9
93.07649	3.3
95.01351	11.1
95.04979	25.1
95.08620	54.2
97.02934	2.7
97.06540	51.6
97.07162	3.4
97.10193	8.7
103.05481	2.8
105.04568	5.2
105.07041	89.1
107.04974	26.6
107.08614	32.5
109.06549	13.4
109.10155	20.3
111.08124	5.2
113.09630	2.2
115.05478	5.4
117.07030	30.3
119.08601	54.7
121.06533	6.4
121.10139	15.3
123.08078	7.8
123.11754	3.2
125.09663	6.7
128.06284	5.5
129.07016	17.5
130.07825	3.1
131.08594	30.6
133.06549	3.2
133.10153	45.7
135.08098	6.5
135.11703	11.0
137.09644	6.3
139.07605	2.2
141.07027	8.6
142.07838	4.9
143.08588	19.1
145.06541	3.1
145.10146	31.0
146.97614	1.8
147.08092	6.5
147.11693	31.6
149.09657	12.4
149.13310	4.3
151.11238	3.8
154.07838	3.3
155.08606	8.4
157.10139	15.0
159.08144	3.6
159.11711	18.6
161.09624	4.8
161.13292	17.7
163.11230	8.9
165.09227	2.7
167.08653	3.9
168.09364	2.7
169.10165	9.0
171.11713	19.9
173.11913	3.6
173.13205	9.1
175.11186	3.0
177.12825	3.5
179.08636	2.9
179.14319	19.1
181.10190	3.5
183.11760	8.7
185.09680	2.2
185.13290	5.2
187.11189	4.1
187.14946	2.9
189.12839	7.1
193.10172	2.6
195.11777	5.8
197.13399	5.3
199.14876	4.7
205.12375	2.1
207.11929	3.3
207.13858	9.1
209.13370	3.4
213.12823	2.0
223.13258	3.6
227.12691	2.8
239.17999	3.5
241.19783	2.5
247.20726	5.2
249.16542	2.4
257.19049	10.4
259.20657	5.3
273.18430	3.2
275.20096	94.3
279.16071	7.6
281.17572	3.9
289.18121	2.1
292.19940	4.2
293.21231	8.4
309.22211	2.1
331.22702	2.2
349.24036	5.5
463.32358	4.7
481.33298	5.6
537.35901	13.5
555.36987	82.0
556.37689	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	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01862	1.5
55.32932	0.8
57.03436	1.1
69.03456	3.8
71.49043	1.1
73.02896	1.0
77.80724	0.7
79.05475	2.5
81.03410	1.8
85.02914	8.2
91.05488	6.3
93.07018	1.8
95.04947	1.4
97.02881	3.3
103.05490	3.0
105.07026	8.9
107.04954	8.7
109.02918	1.3
115.05452	6.1
117.07016	5.2
119.04962	1.2
119.08591	1.5
121.06528	3.0
123.04423	1.5
127.03916	1.1
128.06221	3.8
129.06984	1.7
131.04936	1.6
133.06514	8.3
135.08032	2.7
137.05983	4.6
138.06502	0.8
143.04924	2.1
143.08551	7.1
145.06493	6.0
145.10089	1.3
146.07277	3.4
147.04372	1.1
147.08041	3.4
149.05995	2.0
151.03889	0.9
151.07573	4.8
153.05511	1.7
153.07072	0.8
159.08047	1.5
160.05220	1.8
160.08867	1.6
161.05975	6.7
161.09616	3.9
162.06796	6.0
163.03929	4.3
163.07521	6.0
165.09099	1.6
166.06250	1.1
167.07059	15.4
171.08075	6.9
172.08861	1.2
173.09607	1.2
175.07559	48.3
175.11183	8.1
177.09114	6.8
178.06271	9.1
179.06989	1.2
179.10683	1.9
180.07780	1.3
181.04980	0.9
181.08594	11.2
188.08354	7.4
189.09122	0.8
191.10666	2.0
192.23764	0.9
193.08615	12.1
194.09317	1.7
195.10190	11.9
203.10689	34.9
209.11711	2.0
221.11742	25.2
224.08360	0.8
233.09872	0.9
237.09171	1.4
254.09229	1.1
265.08578	1.9
269.11624	1.3
283.09549	0.9
293.11545	0.8
297.11261	1.4
311.12927	1.1
329.13895	5.7
331.15375	0.8
356.38629	0.8
357.17038	3.9
375.18048	100.0
376.18347	2.3
461.96521	0.8
555.24139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.89392	0.4
55.01854	0.5
59.81732	0.4
59.84503	0.3
64.34187	0.3
71.09396	0.6
71.09731	0.5
75.41589	0.4
78.04745	0.4
79.05493	3.8
82.03724	0.4
85.02883	0.7
86.78242	0.4
91.05508	2.2
93.03338	0.4
93.07051	0.6
95.04955	1.6
103.05464	3.2
105.07021	4.8
107.04958	36.4
107.08607	0.5
115.05447	2.8
117.07020	1.2
119.04816	0.4
120.05720	0.9
120.08141	0.4
121.06561	0.5
123.04430	0.6
124.05184	1.0
125.06002	0.5
131.04915	0.8
133.06500	0.6
135.08063	11.0
137.05963	0.7
147.04367	1.1
149.06076	0.5
149.07698	0.4
151.03880	0.5
154.06262	2.7
162.09227	0.6
163.07552	17.7
165.05447	0.9
167.07042	18.8
180.07817	3.1
181.08565	1.1
195.10173	100.0
196.10524	0.4
232.90857	0.5
348.11072	0.5
363.04791	0.4
431.73895	0.4
483.09543	0.4
554.26801	0.9
555.19861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01871	3.8
55.05512	27.8
57.07073	4.8
65.03928	3.6
67.05505	53.7
69.07071	26.3
71.04969	4.6
77.03915	1.9
79.05495	48.1
81.07055	66.5
83.04987	3.9
83.08617	16.1
85.06537	2.9
91.05482	66.3
93.06487	2.9
93.07043	45.8
95.04954	4.7
95.08608	42.0
96.08941	2.2
97.06522	4.4
97.10150	5.4
99.08048	1.6
103.05459	3.8
105.07033	83.4
107.04944	3.0
107.08589	28.9
109.06531	4.4
109.10149	23.5
111.08080	1.9
111.11714	2.0
113.06043	1.5
115.05447	3.1
117.07011	21.3
119.08585	59.7
121.10148	23.0
123.08085	2.3
123.11711	7.8
125.09653	2.6
128.06241	3.5
129.07022	14.5
131.08572	36.9
133.10132	63.1
135.08054	3.0
135.11697	12.4
137.09621	3.1
137.13335	1.7
141.06975	3.6
142.07756	3.8
143.08571	17.3
145.09052	3.3
145.10124	37.2
146.10486	1.5
147.11688	30.9
149.09608	5.7
149.13249	5.3
155.08519	8.1
157.10115	18.4
159.11693	22.4
161.13264	11.1
163.11221	3.7
167.08580	2.4
169.10132	10.6
171.11682	13.1
173.13272	12.7
175.14859	5.0
177.12793	2.1
179.42078	1.7
181.09964	2.7
183.11682	7.9
185.13275	8.8
187.14873	4.4
189.12857	1.7
189.16364	3.3
195.11641	2.4
197.13225	7.5
199.14838	7.3
201.16513	2.2
209.13217	2.0
211.14819	3.9
213.16405	4.1
215.14348	1.9
215.18106	2.2
217.15866	1.8
225.16502	3.5
229.19579	2.3
239.17903	5.4
241.19556	2.0
247.20755	3.0
253.19543	1.9
257.19034	7.3
261.22220	6.2
275.20059	100.0
277.21698	3.4
279.23090	2.3
289.21780	1.8
291.23050	2.0
303.23288	2.0
369.27936	3.8
397.30884	1.7
497.26685	1.8
517.40405	6.6
535.41681	16.7
553.33862	3.8
553.42511	74.9
554.42780	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05515	18.5
57.03426	1.6
57.07080	23.9
60.73096	1.4
65.03938	2.2
67.05508	84.8
69.06728	2.3
69.07072	23.9
71.05001	9.8
71.08640	18.4
71.48982	2.4
79.05497	29.8
81.03411	1.8
81.07060	100.0
83.05016	2.7
83.08624	17.5
85.06547	7.1
85.10186	10.1
91.05482	19.8
93.07049	30.3
95.04990	3.5
95.08611	96.0
97.06534	5.2
97.10178	9.2
99.08104	3.0
105.07039	14.6
107.08591	20.1
109.06508	2.3
109.10162	41.3
111.08083	3.3
111.11739	2.7
111.71131	1.2
117.07040	2.6
119.08584	10.6
121.10154	20.9
123.08083	2.7
123.11704	17.5
125.09659	2.8
131.08563	8.3
132.53958	1.3
133.10146	11.0
135.08095	2.4
135.11685	14.5
137.09662	3.5
137.13298	7.3
139.11162	2.5
145.10135	8.0
147.11670	11.6
149.09619	2.8
149.12201	1.3
149.13232	8.7
151.11214	2.6
151.14821	2.4
159.11682	4.8
161.13254	11.6
163.11211	2.3
163.14844	4.0
165.12755	4.1
172.94485	1.7
173.13287	3.7
175.14932	1.9
177.12796	1.6
179.14366	3.5
181.12239	1.4
187.14854	1.9
191.14316	2.4
209.03416	1.6
209.15404	1.6
223.16869	1.4
224.98082	1.3
237.18539	1.8
239.23729	2.7
243.21068	5.2
261.22128	17.2
279.23221	28.0
297.24301	2.1
553.48596	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54419	1.2
53.03938	6.8
55.01867	5.1
55.05516	27.4
57.03430	2.3
57.07076	3.6
59.04987	1.6
65.03943	3.9
67.05508	55.1
69.03419	2.2
69.07072	19.1
69.12239	1.0
71.04998	6.0
71.50652	2.2
77.03940	1.8
79.05498	64.4
81.03429	5.6
81.07060	100.0
83.04992	3.7
83.08627	15.6
85.06535	3.4
88.34032	1.1
91.04906	2.2
91.05485	56.3
93.07049	61.3
95.04964	9.6
95.08615	41.7
97.06540	5.2
97.10197	4.7
99.08101	2.5
103.05497	1.3
105.04526	2.6
105.07037	53.6
107.04955	7.0
107.08598	34.3
107.09317	2.3
109.06527	23.3
109.10166	18.2
111.08084	4.5
113.09644	1.4
115.05434	1.9
117.07026	16.1
119.08585	40.8
120.08913	2.3
121.06520	3.1
121.10146	34.1
123.08084	6.8
123.11703	6.1
125.09649	2.3
128.06245	2.7
129.07019	9.1
131.08572	29.5
133.06522	1.2
133.09131	2.0
133.10130	32.1
135.08075	5.7
135.11682	13.7
136.55875	1.2
137.09612	4.2
137.13277	1.3
139.11200	1.4
141.06937	2.6
142.07799	2.4
143.08577	10.4
144.09129	1.1
145.06508	1.2
145.10127	29.4
147.08060	2.2
147.11703	21.8
149.09634	7.3
149.13261	13.4
151.11230	2.8
155.08562	5.2
156.09377	1.4
157.10141	12.6
159.11679	19.4
161.09616	1.9
161.13287	9.3
163.11203	8.2
163.14908	5.9
165.12778	3.4
168.09271	2.2
169.10167	6.3
171.11732	10.3
173.09705	1.2
173.13248	12.6
175.11217	3.6
175.14856	5.4
177.12720	2.3
177.16426	2.0
180.32619	1.2
181.10130	2.5
183.11754	6.5
185.13258	8.3
187.14822	7.4
189.12813	1.3
189.16426	2.3
193.12294	2.3
195.11780	2.3
197.13315	4.4
199.14844	5.8
201.12755	1.6
201.16385	2.5
209.13271	1.9
211.14870	2.5
213.12801	1.9
213.16379	4.4
215.17953	1.8
217.15819	1.5
223.14780	1.9
225.96313	1.1
227.17934	2.3
229.19560	3.0
231.17719	1.3
233.19067	1.6
237.16478	1.6
239.18001	3.6
241.19583	3.7
243.21097	3.9
247.20734	4.1
257.19073	3.3
259.20557	9.4
261.22180	16.6
275.20078	53.3
277.21799	4.7
293.21033	2.9
305.24957	1.5
317.24857	1.3
362.19669	1.1
425.33752	1.6
435.32672	2.0
453.33600	2.5
499.39307	3.0
517.40527	12.8
535.41498	28.3
553.42603	52.6
554.43158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78433	2.6
53.00291	3.0
53.03934	7.9
55.05506	26.7
57.07066	4.7
67.05510	33.7
69.03439	3.9
69.07060	12.4
69.13258	2.7
71.50051	4.4
79.05499	32.4
81.03403	9.2
81.07063	52.5
83.08614	20.2
91.05486	25.3
93.07039	25.9
95.04975	21.8
95.08611	20.7
97.06516	6.1
97.10162	4.9
99.00829	10.0
105.07039	21.1
107.04945	15.2
107.08599	14.9
109.02876	10.1
109.06509	14.4
109.10142	9.8
111.08086	6.7
117.07008	8.5
119.08583	28.1
121.06506	7.4
121.10161	15.5
123.08064	5.1
123.11665	5.5
129.07042	3.4
131.08566	12.3
133.10138	29.9
135.08049	5.4
135.11667	5.7
137.09595	5.4
143.08586	7.0
145.10117	8.4
147.11673	12.7
149.09627	10.5
151.11147	5.7
155.08522	3.1
159.11707	12.3
161.09642	12.3
163.11194	14.5
169.10110	4.7
171.11617	5.0
173.13252	3.2
177.12857	3.9
179.10736	4.0
189.09105	9.9
189.11086	4.9
193.12244	11.4
223.13289	13.3
225.11241	24.7
239.17987	4.1
256.26413	6.6
257.18835	6.2
275.20078	100.0
289.17908	5.6
293.21127	51.8
307.55991	3.5
373.30219	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
53.78286	1.2
54.25236	1.2
55.05517	7.4
56.05030	4.4
57.07070	4.3
60.04518	2.6
67.05509	11.8
68.05026	2.0
69.07076	9.3
70.06589	1.9
70.87901	2.0
71.08655	1.6
74.49369	1.0
76.68809	1.3
79.05483	10.2
80.05008	2.5
81.05811	1.2
81.07064	10.8
82.06561	7.5
83.08598	5.6
85.10185	1.2
91.05466	9.0
93.07039	8.4
94.06575	18.7
95.04959	1.2
95.07362	7.6
95.08070	1.1
95.08610	8.3
96.08139	4.5
97.10149	1.7
105.07018	5.3
107.08599	5.8
108.08105	2.6
109.10149	3.5
119.08566	3.8
121.10147	5.8
121.85211	1.1
122.09644	2.2
133.10144	2.4
135.11702	3.3
136.11176	1.4
136.60184	1.0
139.67976	1.0
147.11646	1.1
154.98941	1.1
161.13254	1.3
219.21008	1.1
233.22467	5.2
245.22597	3.4
250.25241	9.4
262.25302	100.0
272.25854	4.6
280.26282	11.4
504.47580	4.6
516.47845	10.0
534.48511	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	551.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01870	1.4
55.05271	1.6
55.05518	20.6
57.03445	6.8
57.07083	40.7
57.24430	0.8
62.10675	1.0
65.03952	2.3
67.05514	30.8
68.05887	0.8
69.03426	3.0
69.07076	13.1
71.05005	5.0
71.08638	30.1
79.05502	18.3
81.03428	46.8
81.07067	38.4
83.04993	8.5
83.08632	24.8
85.02914	23.9
85.06536	1.6
85.10195	14.8
91.05493	19.0
93.07057	11.1
95.04980	18.7
95.08615	29.9
97.02907	1.9
97.06541	2.7
97.10182	11.7
105.07037	16.9
107.04958	3.5
107.08637	4.9
109.06517	2.4
109.10179	11.7
111.04465	2.5
111.08089	8.1
111.11732	3.7
113.06033	2.2
117.07069	1.1
119.08596	13.0
121.06496	1.1
121.10145	7.2
123.08113	2.0
123.11734	7.0
129.07033	7.9
131.08612	6.5
133.06522	1.4
133.10167	5.1
135.11729	1.0
137.09624	1.6
137.13284	2.0
142.07832	2.1
145.10133	1.5
147.08136	1.7
147.11699	10.0
149.09654	4.3
157.10123	7.3
165.12833	2.5
175.11200	10.7
193.10995	0.6
193.12268	41.2
211.13307	46.6
212.13733	1.0
214.56384	0.8
235.70172	0.9
249.15009	0.8
267.15942	5.5
267.26971	3.3
311.62320	1.1
341.30560	4.3
477.07535	1.0
519.36981	1.1
533.42224	1.8
551.43140	100.0
552.43719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.8
53.03936	5.9
53.18685	1.2
55.01860	3.7
55.05276	1.4
55.05515	23.8
57.03439	1.8
57.07079	23.4
61.47452	1.3
65.03935	4.3
67.05508	91.5
69.03413	1.4
69.06739	1.5
69.07074	22.1
70.15826	5.8
71.04996	13.5
71.08627	16.0
74.93317	1.4
77.03930	1.5
79.05496	65.2
81.03426	3.0
81.07060	100.0
83.04982	3.6
83.08622	16.2
85.06541	18.5
85.10207	7.1
86.06943	1.3
91.05484	45.5
93.07047	71.1
95.04990	7.6
95.08611	65.0
97.06535	10.4
97.10180	7.1
99.08098	19.4
105.04539	2.1
105.07034	33.2
107.08599	46.1
109.06518	2.8
109.10155	24.0
111.08064	5.6
115.05475	1.5
117.07011	9.6
119.08589	26.9
121.10149	58.3
123.08053	3.9
123.11709	6.1
125.09632	4.7
129.06993	5.3
131.08578	16.4
132.34851	1.4
133.10138	22.1
135.08017	3.2
135.11691	50.8
137.09598	2.8
137.13251	1.9
143.08540	6.4
145.10118	14.9
147.11708	17.3
149.09639	2.3
149.13277	17.1
151.11140	2.9
157.10143	6.8
159.11674	13.7
161.09654	1.7
161.13249	10.5
163.11147	4.3
163.14818	2.9
165.12726	2.5
169.10033	1.4
171.11699	4.7
173.11848	2.8
173.13249	7.9
175.11118	2.1
175.14830	4.9
177.12729	6.7
179.14209	1.6
181.12254	2.5
183.11696	2.5
185.13246	5.7
189.12749	1.4
191.14206	1.8
193.12244	2.5
193.15965	2.9
195.13792	5.6
197.13304	2.5
199.14799	2.0
206.67432	1.7
209.15344	1.6
211.13287	1.8
213.16486	2.1
217.19664	2.0
221.15399	2.3
241.19495	3.2
259.20660	9.9
261.22070	1.7
273.18506	3.4
275.19879	1.3
277.21597	26.0
295.22705	5.9
316.35446	1.3
340.91324	1.3
384.71893	1.8
436.49228	1.9
533.39838	3.9
551.40485	8.5
551.46716	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	551.4254
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
51.02371	1.7
53.03948	6.2
55.05512	11.4
56.68707	1.2
57.07067	8.3
58.82467	1.3
59.04992	1.5
62.25444	1.2
64.73029	1.2
65.03941	4.3
67.05184	2.3
67.05510	26.8
69.07079	19.3
69.83927	6.1
71.08641	1.6
77.03942	1.6
79.05502	23.9
81.03407	1.9
81.07067	35.8
83.08622	10.0
85.06544	2.0
91.05486	37.4
93.07050	56.4
95.04970	4.3
95.08615	45.7
97.10159	1.7
98.20695	1.3
103.05484	4.1
105.04489	2.1
105.07038	66.3
107.08600	54.4
109.10166	43.9
109.10929	1.8
115.05432	5.3
116.06285	1.8
117.07023	16.2
119.08588	100.0
121.10154	50.3
123.08086	3.5
123.11710	15.3
128.06238	7.2
129.07010	11.0
130.07828	7.1
131.08580	29.7
133.10139	54.1
135.07980	1.5
135.11702	39.3
137.09634	4.5
137.13301	1.6
139.11232	1.7
141.07028	3.4
142.07790	16.6
143.08575	26.7
144.09315	6.8
145.10136	67.1
146.11024	1.3
147.11697	23.0
149.09669	3.6
149.13286	5.6
153.07025	2.2
154.07828	1.6
155.08546	10.2
156.09380	10.1
157.10144	37.9
158.10945	5.4
159.11707	36.4
161.13261	10.3
163.11205	2.6
163.14830	1.6
165.06941	3.4
166.07727	1.9
167.08594	5.1
168.09340	3.7
169.10150	17.7
170.10989	6.4
171.11700	21.2
172.12445	2.8
173.13260	23.3
175.14835	37.4
179.08586	4.8
180.09377	3.0
181.10147	9.6
182.10905	5.7
183.11703	17.2
184.12556	1.9
185.13268	12.4
187.14827	14.4
189.16389	2.9
191.14363	2.2
193.10178	7.5
193.16026	1.3
194.10909	7.1
195.11694	11.6
196.12531	5.3
197.13274	21.1
198.14157	1.9
199.14842	7.8
201.16360	13.6
205.10194	2.0
205.15891	3.1
206.10954	3.9
207.11687	6.8
208.12508	4.2
209.13278	12.2
210.14078	2.7
211.13199	1.4
211.14917	9.9
213.16367	6.8
217.10316	1.7
219.11652	2.7
219.17532	3.2
220.12424	2.6
221.13307	6.5
222.14026	1.6
223.14859	10.4
225.16412	5.2
226.17223	1.4
227.17877	2.2
231.11786	2.8
233.13350	3.2
234.14037	1.5
235.14902	6.1
236.15683	1.5
237.16438	5.8
238.17293	1.6
239.18030	4.0
241.19516	4.4
245.13184	1.6
247.14839	3.1
249.16414	3.3
251.18019	3.5
253.19629	3.0
257.19073	1.8
259.14908	1.9
259.20596	3.1
260.15686	2.3
261.16428	4.4
263.17935	3.5
265.19492	3.7
267.21078	4.6
271.20441	1.5
273.16275	1.3
275.17957	3.8
277.19644	2.5
279.21011	2.5
283.20663	3.5
285.22079	3.6
287.17813	2.1
289.19543	1.6
291.21106	2.6
297.22153	1.7
303.21204	1.8
309.21976	1.4
315.21088	1.6
319.24289	2.2
327.07758	1.3
329.22672	2.1
331.24271	1.6
345.25620	2.6
391.29672	1.9
397.28690	1.6
411.30353	1.8
429.31461	2.1
459.36081	1.6
495.26392	1.8
495.36163	2.8
533.41321	5.1
551.42480	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.05512	14.5
57.07071	8.1
63.72142	1.1
65.03945	4.1
67.05508	24.3
69.07076	15.2
69.24942	1.6
69.25331	10.9
71.08611	2.0
79.05489	20.2
81.03416	1.6
81.07059	40.6
83.04967	1.4
83.08632	7.8
84.66501	1.6
85.06538	1.9
91.05488	38.2
93.07047	55.6
95.04949	3.8
95.08612	46.6
97.06525	1.4
97.10196	1.6
98.28304	1.3
103.05479	3.2
105.07037	66.1
107.08594	55.0
109.06533	1.8
109.10155	37.9
111.08065	1.5
115.05481	3.7
116.06246	1.9
117.07021	16.7
119.06129	2.1
119.08583	100.0
121.10148	49.9
121.10804	1.1
121.11032	1.8
123.08058	2.1
123.11717	12.4
128.06215	6.5
129.07019	11.8
130.07784	5.2
131.07594	2.4
131.08565	30.9
133.10129	56.6
134.88786	1.3
135.08032	1.4
135.11697	37.1
137.09607	3.2
139.11151	1.4
141.06955	3.6
142.07788	13.1
143.08571	25.1
144.09372	8.1
145.10135	60.6
146.10498	1.7
147.11691	18.9
149.09596	2.7
149.13264	7.7
151.14787	1.6
153.06929	2.1
154.07799	1.9
155.08543	10.9
156.09343	11.0
157.10144	38.7
158.10860	4.9
159.11711	35.0
161.09567	1.5
161.13269	11.7
163.11156	2.1
163.14780	2.9
165.06993	3.2
167.08549	4.1
168.09306	3.6
169.08745	2.0
169.10126	21.5
170.10886	5.7
171.11685	25.6
172.12436	2.7
173.13290	23.9
175.14818	38.5
179.08601	6.4
180.09312	2.7
181.10150	9.4
182.10944	7.8
183.11725	16.4
184.12460	3.0
185.13278	14.6
187.14813	14.4
189.16397	2.7
191.08592	1.5
193.10150	7.6
193.12131	1.5
193.15852	1.6
194.10922	5.4
195.11749	9.6
196.12508	4.5
197.13264	21.1
198.14125	1.3
199.14807	5.4
201.16383	11.5
203.17830	1.4
204.58170	1.3
206.10872	2.7
207.11644	6.3
208.12476	3.5
209.13261	14.6
210.13954	2.7
211.14838	13.1
213.16371	5.3
215.17926	2.4
217.10194	1.9
217.15939	2.3
219.17464	3.4
220.12538	1.9
221.13222	8.3
222.14041	2.3
223.14780	10.9
224.15720	1.8
225.16364	5.5
227.17944	3.3
233.13318	4.4
233.60280	1.3
235.14792	5.8
236.15590	1.6
237.16386	5.6
239.17920	4.5
241.19536	4.1
245.13335	1.7
246.13976	1.7
247.14810	5.1
249.16339	4.4
250.17007	1.5
251.17838	3.6
253.19507	3.4
255.21060	1.6
257.18964	2.5
259.14957	2.1
261.16434	2.0
263.17911	4.1
265.19440	3.9
267.21039	5.1
271.14890	1.6
271.20724	1.8
273.16324	1.5
274.17166	1.9
275.17938	3.6
277.19501	3.5
279.21063	2.6
285.22043	2.2
287.17932	2.1
289.19315	2.0
291.21072	2.7
297.22226	1.4
301.19635	1.7
305.22604	1.8
315.21112	1.8
337.25052	1.6
345.25784	4.5
355.24261	1.7
359.27490	2.1
397.29025	1.9
411.30289	2.8
429.31427	2.1
495.36258	2.6
533.41479	4.9
551.42487	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.5
53.03939	6.3
55.05511	14.1
57.07080	10.3
65.03947	3.5
67.05505	29.1
69.07063	16.6
71.08614	1.9
71.84064	1.6
77.03922	1.8
79.05499	23.9
81.07056	35.8
83.08627	7.8
85.06548	2.9
88.21762	1.9
89.44720	1.6
91.05479	40.1
93.07048	56.1
93.07645	3.0
95.04967	5.2
95.08612	39.4
97.10148	2.5
103.05451	2.7
105.04498	2.5
105.07035	71.2
107.08591	58.7
109.10153	35.5
111.08102	1.7
115.05449	4.3
116.06274	2.5
117.07022	17.7
119.08582	100.0
121.10142	54.6
123.08058	1.9
123.11713	10.8
126.46363	1.6
128.06192	7.4
129.07024	11.1
130.07777	7.2
131.08586	30.5
133.10138	56.0
135.11699	35.2
137.09607	4.7
141.07021	4.7
142.07796	13.2
143.08557	23.1
144.09320	6.3
145.10129	63.3
147.11681	19.4
149.13243	4.5
153.07059	1.6
154.07817	3.0
155.08559	10.9
156.09360	14.9
157.10126	40.2
158.10887	5.6
159.11699	32.6
161.09619	1.6
161.13248	10.4
163.11279	1.8
163.14740	1.6
165.06979	3.3
167.08643	7.2
168.09386	2.7
169.10141	17.4
170.10860	4.8
171.11708	18.1
173.13266	22.0
175.14841	32.3
179.08583	7.4
180.09355	2.9
181.10156	9.2
182.10847	7.3
183.11726	14.8
184.12378	1.9
185.13287	15.9
186.14064	1.9
187.14830	14.5
189.16356	2.3
191.14366	1.5
192.09338	2.6
193.10155	5.7
194.10918	5.1
194.53870	1.6
195.11684	12.6
196.12460	3.7
197.13248	18.1
199.14777	7.4
201.16385	11.2
207.11687	6.3
208.12466	4.9
209.13278	11.6
210.13997	2.8
211.14871	11.0
213.16408	3.8
215.17908	2.4
219.11732	4.0
219.17450	3.4
220.12468	2.7
221.13240	6.5
223.14835	9.0
225.16396	5.8
227.18127	2.2
231.11678	2.2
233.13278	4.0
234.14009	1.8
235.14772	5.2
237.16393	4.2
239.17830	3.6
241.19414	3.0
247.14900	2.8
248.15564	2.1
249.16394	5.5
251.18068	2.8
253.19630	4.2
257.18973	1.9
259.14743	1.8
261.16379	4.0
263.18027	3.4
265.19543	4.4
267.21112	6.6
275.17822	2.1
277.19601	3.6
279.21054	2.7
283.20602	2.6
285.22128	3.3
287.18149	1.7
303.20895	2.0
309.22610	1.7
315.21030	1.5
317.22998	2.4
337.25162	1.9
359.27359	1.6
385.28525	1.9
411.30170	1.9
429.31369	2.6
459.36746	1.6
495.26108	1.9
533.41278	4.3
551.42529	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	551.213
Annotation	Tracheloside
Peak:m/z	Relative Intensity
51.43991	4.2
55.01869	6.4
61.02906	4.0
65.03951	4.9
69.03437	7.4
70.87503	9.3
76.58894	3.7
76.81410	4.0
77.48524	3.8
79.05502	9.4
85.02912	22.6
91.05474	8.4
93.15701	4.3
95.04985	7.9
97.02893	7.0
99.04450	12.7
103.05490	23.4
105.07037	75.3
107.04952	11.6
111.35706	3.8
115.05471	17.6
118.04161	9.3
127.03869	6.3
129.76912	4.3
131.04936	17.5
133.06491	53.5
137.05984	54.5
148.05177	5.4
149.05940	7.4
151.03914	17.4
153.05435	5.4
159.08095	6.0
161.05983	100.0
163.03891	6.2
163.07510	6.9
167.07019	22.3
177.05499	5.2
181.04987	55.2
183.13770	3.9
187.07617	4.7
189.09178	11.6
191.07083	54.4
193.08611	36.2
203.06969	4.8
209.08047	5.8
227.16397	14.5
235.09651	17.5
265.10599	7.3
298.51743	4.4
334.09976	4.0
349.47949	4.3
371.14969	24.2
389.15924	36.8
519.15778	7.8
551.20947	9.6
560.16858	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	551.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27765	1.3
52.34144	1.2
53.03936	1.5
54.76175	1.1
57.03426	1.8
58.06599	1.9
61.02905	1.3
69.03419	5.5
70.93848	1.7
70.94180	2.4
80.05015	1.3
81.03411	3.9
85.02914	9.0
91.03953	1.6
95.04985	6.7
95.90279	1.1
97.02885	6.6
106.06554	4.2
107.04931	2.8
109.02898	2.6
115.05515	1.9
117.05793	2.0
117.06994	2.5
118.06548	4.3
123.04396	1.5
124.03984	6.2
125.02377	7.2
130.06522	3.2
132.04460	12.1
132.08105	17.8
142.06563	6.4
143.07338	2.0
144.08096	89.6
145.08453	2.1
148.07561	2.5
151.03915	17.2
158.06093	1.2
160.07593	100.0
161.10770	7.5
162.09137	1.9
177.05496	1.4
180.10249	2.8
184.09964	4.7
185.10747	3.9
187.08679	2.0
189.10271	1.3
195.06383	1.6
203.11819	3.0
208.09764	4.1
209.10820	1.6
224.09267	1.7
226.10803	1.3
239.11757	5.0
239.13965	1.3
247.12251	1.8
265.09781	13.0
265.13367	24.1
267.11319	2.3
283.10809	13.4
309.15866	7.2
320.66754	1.3
327.16925	3.8
335.13892	12.9
353.14966	33.9
371.16052	14.2
515.20282	16.4
533.21350	57.8
551.22546	6.5
551.29669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01864	2.8
55.05509	21.7
57.07062	4.4
65.03938	2.2
67.05180	2.6
67.05508	31.9
69.03423	1.6
69.07069	16.2
69.17254	2.7
69.17661	13.2
70.85680	1.5
71.05009	3.0
71.08620	4.3
79.05496	19.7
81.03429	2.6
81.07059	31.6
83.05001	2.5
83.08624	9.3
91.05479	25.8
93.07053	21.8
95.04990	3.9
95.08609	25.6
97.06515	2.7
97.10177	4.9
99.08077	1.7
105.07039	24.6
107.08595	13.3
109.06538	2.4
109.10157	9.9
115.05435	2.4
117.07001	9.7
119.08585	18.0
121.10151	9.0
123.08084	2.2
123.11736	3.9
125.09636	2.1
128.06223	5.5
129.07007	14.5
130.07785	1.8
131.08595	19.9
132.25737	1.5
133.10114	15.0
135.08095	1.6
135.11708	5.4
141.07008	10.3
142.07817	4.7
143.08566	18.2
145.10114	17.0
147.11684	6.8
153.07059	2.7
154.07777	3.7
155.08559	21.3
156.09312	3.0
157.10147	17.5
159.11694	9.6
161.09618	1.5
161.13297	3.3
165.07037	2.5
166.07722	2.7
167.08568	12.3
168.09390	3.4
169.10147	18.6
171.11707	10.2
173.13261	6.3
175.14839	2.9
179.08531	3.5
181.10118	12.7
182.10933	3.3
183.11703	22.4
185.13339	7.7
187.14905	4.1
193.10262	2.3
193.12396	2.3
195.11716	12.7
196.12387	1.6
197.13292	14.3
199.14897	3.6
201.16481	2.0
207.04781	1.6
207.11705	3.9
209.13239	9.5
211.14818	9.4
213.16391	1.7
221.13359	3.3
223.14806	5.5
225.16380	7.5
237.16379	4.5
239.17957	3.3
251.17873	1.6
253.19629	1.9
265.19702	2.3
275.20197	4.9
283.17276	1.7
285.88718	1.7
311.20111	3.0
313.21695	2.9
315.23520	1.7
321.22263	3.3
325.21646	3.7
326.22464	1.9
327.23425	1.9
335.23593	2.0
339.23203	5.1
343.26343	2.2
349.25449	1.8
353.24799	4.9
365.24893	2.0
367.26266	2.9
379.26581	2.3
381.27811	2.7
395.29373	1.9
409.30878	2.5
445.31165	1.9
469.33432	1.9
481.33270	3.1
482.33752	3.9
515.38934	5.9
533.40070	11.6
551.41064	100.0
552.40820	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	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01877	6.7
55.05512	19.6
57.03447	3.9
57.07078	43.4
59.04991	2.5
65.03943	1.5
67.05508	29.4
69.07071	16.2
71.01350	1.1
71.04997	4.0
71.08635	30.5
79.05494	22.6
81.03421	11.6
81.07059	34.9
83.01338	7.3
83.04977	10.3
83.08151	1.6
83.08621	19.3
85.02901	2.9
85.06551	1.1
85.10188	16.8
85.45921	0.8
91.05486	16.0
93.07045	23.7
95.04981	5.8
95.08611	36.1
97.02867	1.7
97.06544	3.6
97.10168	13.2
99.04453	1.3
99.08075	0.9
99.11752	1.1
103.05456	1.2
105.07038	12.9
107.04965	8.9
107.08596	12.5
109.06531	4.6
109.10144	13.3
111.04440	1.6
111.08079	2.4
111.11734	4.4
117.07032	6.2
119.08577	11.6
121.06525	3.5
121.10153	9.8
123.08061	7.6
123.11696	7.0
125.05983	1.4
125.09630	1.4
125.13249	1.2
128.06282	1.0
129.06993	3.0
130.07837	1.2
131.08557	4.5
133.10123	5.0
135.08012	1.6
135.11699	11.2
137.09630	2.5
137.13264	2.3
143.08563	2.3
145.06511	1.4
145.10126	14.3
147.08066	2.4
147.11716	1.2
149.09572	0.9
151.14896	1.2
153.12750	3.2
155.08603	1.2
157.10144	2.6
159.11732	1.5
161.13266	1.0
163.11186	24.7
167.08632	0.8
169.10178	0.9
171.11736	0.8
173.09682	2.6
173.13306	1.1
175.50235	0.7
181.12186	4.5
183.11806	0.9
185.13231	0.9
187.14838	1.0
191.10684	3.9
195.11745	1.3
206.10899	0.9
207.11703	1.1
209.11714	8.5
209.13377	1.0
211.13222	1.1
221.13589	0.9
227.12866	2.9
233.13441	1.0
237.16425	0.8
249.25883	1.1
265.14362	1.2
267.26791	5.5
291.21063	0.9
299.18073	0.7
318.53680	0.7
337.27277	0.8
341.30899	0.8
531.39972	1.3
549.41467	100.0
550.41754	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	550.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	5.4
55.01864	12.1
55.05499	15.2
57.03439	27.3
61.02908	15.0
67.05513	37.9
69.03433	46.3
69.07056	15.8
70.51779	11.0
73.02921	87.8
73.44583	4.0
79.05492	24.7
81.03405	14.0
81.07056	81.3
85.02905	100.0
85.06535	8.5
87.04456	6.0
91.05479	32.3
93.07045	54.9
95.04958	4.3
95.08612	92.9
97.02888	62.3
97.06539	3.8
99.04464	4.1
103.03922	6.4
105.07028	79.6
107.08595	77.3
109.02830	6.9
109.06559	4.5
109.10165	71.6
115.03922	28.9
117.07011	5.5
119.08585	60.8
121.10152	26.7
123.11702	16.1
127.03919	30.8
131.04938	4.9
131.08546	13.5
133.04990	33.5
133.10103	34.9
135.11678	19.3
137.13269	4.7
143.08577	5.0
145.04958	21.5
145.10133	9.7
147.11713	47.8
151.11185	7.1
157.10071	4.8
158.10826	3.7
161.13301	26.5
163.06033	10.1
163.14801	14.8
173.13240	13.5
175.14806	9.2
176.31454	3.7
189.16428	5.7
191.14297	13.1
201.16420	3.9
203.16058	5.0
203.17966	96.7
209.15416	4.9
221.18942	12.7
223.06044	4.9
259.08069	6.0
365.48212	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
59.56804	1.0
60.27099	1.1
62.47942	1.1
67.05510	3.4
69.03429	14.0
69.27570	10.1
69.98396	1.1
70.25082	1.1
71.01350	1.3
71.05003	2.6
77.03914	1.3
79.05503	11.0
81.03414	7.2
81.07063	2.9
85.02894	5.1
91.05479	5.0
93.07046	4.5
95.01336	1.2
95.04977	55.4
97.02896	21.8
103.05479	9.6
105.03418	1.4
105.04525	1.2
105.07027	2.1
107.04961	53.5
109.02885	39.4
109.06537	4.4
116.98413	1.1
121.06500	10.0
123.04436	12.9
125.02360	68.9
125.06014	3.1
127.03931	8.8
131.04947	4.5
135.04428	5.2
145.05009	1.6
149.05998	18.6
151.03909	100.0
153.05475	14.5
159.04408	3.5
160.07541	1.1
167.07156	1.5
167.23528	1.1
175.04044	1.4
177.05482	35.5
190.58463	1.2
191.17201	1.0
195.06544	66.0
205.18425	1.2
213.07614	4.9
288.95291	1.1
295.08035	1.5
321.09866	2.5
339.10788	5.2
357.11792	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	549.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01867	2.6
55.05513	36.5
57.03445	7.0
57.07085	8.8
59.05008	1.8
65.03931	2.0
67.05508	49.6
69.03446	4.5
69.07070	36.9
69.13078	2.3
69.13489	7.6
71.04991	3.7
71.08637	4.9
79.05499	29.3
81.03420	42.0
81.07061	55.5
83.04979	9.0
83.08620	37.1
85.02911	19.2
85.06530	1.9
85.10175	2.5
91.05479	24.4
91.06024	1.6
93.07046	26.2
95.04971	19.0
95.08609	40.2
97.02908	2.2
97.06532	4.0
97.10167	15.4
98.20773	1.7
99.08102	2.1
105.04503	1.3
105.07033	18.2
105.07712	1.6
107.04965	4.1
107.08591	16.0
109.06535	4.3
109.10159	15.7
111.04458	2.4
111.08085	9.3
111.11711	3.9
113.06033	1.1
113.09679	1.2
115.05483	1.2
117.07019	2.3
119.08571	16.2
121.06542	1.5
121.10149	17.1
122.71206	1.0
123.08065	1.7
123.11715	4.6
125.09648	1.3
129.07001	8.0
131.08580	9.3
133.06490	2.1
133.10175	5.7
135.11690	11.1
137.13252	1.6
139.11195	1.0
142.07805	2.0
143.08572	1.3
145.10129	2.3
147.08064	2.7
147.11711	10.4
149.09648	3.9
149.13234	5.1
151.11176	0.8
151.14845	1.7
157.10135	11.4
159.11702	1.1
163.11191	1.5
163.14894	1.5
165.12801	3.1
165.16414	2.3
169.10254	1.0
171.11807	1.1
175.11212	10.2
177.16273	1.2
185.13300	1.0
193.12256	47.5
209.11642	1.5
211.13295	54.1
219.13850	1.2
247.24272	3.6
249.14861	1.3
265.25262	9.6
267.15970	5.7
285.16980	1.6
325.14609	0.9
339.29044	3.3
389.72131	0.9
457.36807	2.5
531.40332	7.0
549.41486	100.0
550.41986	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	549.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53332	1.6
53.03944	4.7
55.01871	4.4
55.05515	42.5
57.03436	8.7
57.07079	8.1
65.03934	3.2
67.05509	54.1
69.03423	5.0
69.07074	36.2
71.04980	5.8
71.08629	5.3
77.18562	1.2
79.05498	32.7
81.02927	1.8
81.03423	39.2
81.07060	64.8
83.04978	9.4
83.08622	36.1
85.02914	19.1
85.06555	4.4
85.10185	2.9
87.23294	1.2
91.05487	30.3
91.15017	1.1
93.07048	31.5
95.04979	19.4
95.08610	48.4
97.02908	1.6
97.06546	6.3
97.10181	15.0
99.08090	2.8
105.07043	30.5
107.04980	4.0
107.08599	25.8
109.06532	4.9
109.10163	35.2
111.04486	2.1
111.08083	7.3
111.11720	3.7
113.05965	1.4
117.07050	4.5
119.08591	17.6
121.10153	16.6
123.08128	1.5
123.11703	7.8
125.09642	3.0
129.07002	7.9
131.08565	9.6
133.06514	2.8
133.10138	22.6
135.11720	11.0
137.09627	1.8
137.13281	2.5
139.11186	1.2
142.07751	1.8
143.08571	1.7
145.10147	3.7
147.08131	1.8
147.11699	12.4
149.09666	4.8
149.13277	3.6
151.11169	8.9
151.14859	1.2
157.10127	8.0
159.11717	2.5
161.13341	1.6
163.11227	2.2
163.14830	2.1
165.12790	1.2
169.12242	1.8
173.13319	2.0
175.11201	9.5
181.10233	1.2
193.12265	44.4
211.13300	50.0
219.13876	1.7
243.21127	1.6
247.24287	3.2
253.14330	18.7
261.22156	6.9
265.25269	8.0
267.15863	5.6
271.15408	9.1
293.17502	1.8
317.24866	2.3
335.25830	5.9
339.29001	3.7
513.35596	2.5
531.39362	4.4
549.41559	100.0
550.41992	3.3
551.85950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.80064	0.9
57.03442	1.3
57.71777	0.9
61.01205	0.9
61.02913	1.0
67.05486	2.2
69.03423	6.7
70.93664	2.2
71.05003	1.2
73.02909	0.9
79.05498	2.2
81.03415	3.7
81.07089	1.5
85.02527	0.9
85.02920	10.4
85.39189	0.8
91.05489	2.1
93.07036	1.3
93.65103	0.9
95.04967	9.1
97.02872	9.1
99.04479	1.3
103.05473	1.9
105.07010	1.0
107.04961	5.5
109.02885	6.0
117.05711	1.0
117.07024	3.6
121.06497	2.8
123.04398	4.2
125.02359	45.5
125.03285	2.2
127.03903	6.3
130.06514	2.2
131.04924	1.4
137.06003	3.9
143.07326	3.2
144.08089	100.0
145.05017	1.4
149.06003	4.4
151.03917	25.8
156.08090	4.0
157.08900	5.0
158.08397	2.2
158.09677	5.2
159.04500	1.2
159.09135	3.1
161.05933	1.4
161.10757	1.4
165.05518	1.2
167.07222	7.9
168.08110	2.8
170.09654	26.1
171.09224	1.4
177.05530	6.0
180.08112	4.7
181.05057	1.1
181.08861	17.7
182.06018	2.8
182.09657	1.6
185.51234	1.0
187.12311	17.2
194.09702	6.8
195.06691	7.2
195.10374	1.7
196.11214	3.4
197.08112	2.8
204.08118	3.0
205.08792	1.2
206.09657	3.3
208.07582	5.0
210.09196	1.1
222.05560	1.1
222.09117	4.4
222.12802	1.1
223.06302	1.1
223.09953	2.9
224.10684	4.1
225.11586	1.0
236.07028	2.3
238.08626	2.3
249.10274	3.7
250.08647	3.3
250.12465	1.0
251.09438	10.7
267.11328	4.6
267.13782	0.9
268.09753	2.1
269.10550	4.0
292.13342	1.7
293.16672	1.2
294.11926	1.0
294.14816	5.4
294.64398	0.9
302.11700	1.1
308.12729	2.7
311.17535	2.2
319.14481	1.6
320.12851	14.0
337.15521	8.0
338.13873	26.7
355.16498	7.6
395.30905	0.9
488.18808	2.6
500.19183	84.3
501.19031	2.4
517.21863	61.7
518.21887	1.2
549.19690	1.7
560.13666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.9
53.03936	14.8
55.01862	12.4
55.05509	39.2
55.68126	3.3
59.48933	3.6
65.03937	7.2
67.05186	4.7
67.05506	66.0
69.03411	4.0
69.07071	22.9
70.10583	3.1
71.04977	7.9
79.05491	97.5
81.03419	9.4
81.07058	81.7
83.04975	11.1
83.08604	14.1
85.02882	3.7
85.06551	8.4
86.09687	8.2
87.05154	3.3
88.47511	3.3
91.05482	100.0
93.07045	91.9
95.04964	39.0
95.08591	33.7
95.48771	3.9
97.02904	23.0
97.06525	8.7
97.10186	9.6
98.20731	8.4
105.04471	5.5
105.07032	63.1
107.04954	14.7
107.08595	24.5
109.06519	20.5
109.10154	26.7
115.05438	5.2
117.07032	15.2
119.08582	41.3
121.06488	7.4
121.10140	13.4
123.04450	7.3
123.08090	8.7
123.11679	4.2
125.09627	8.8
128.06256	9.0
129.07025	18.9
131.08589	10.1
133.06444	6.0
133.10136	22.1
135.08095	7.1
135.11662	8.1
137.09657	21.1
143.08551	13.7
145.10121	19.6
147.08038	8.0
147.11687	51.2
149.09584	8.2
153.09105	11.5
157.10127	5.8
161.09541	5.8
161.13258	14.0
163.11205	3.9
165.09114	7.6
171.11687	31.2
175.14728	4.8
184.07332	19.0
189.12738	14.4
207.13809	33.9
239.12860	9.9
254.25092	3.8
267.66751	3.7
273.18448	7.5
289.17950	5.3
291.19589	25.9
291.22372	4.6
308.19894	6.2
333.15698	4.0
417.49481	3.8
490.50235	4.0
549.39923	16.6
551.53656	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	549.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41626	0.8
55.01870	1.1
69.03419	3.0
69.94603	4.7
76.69778	1.0
76.82674	0.8
85.02895	3.5
91.64000	0.9
94.06594	1.1
95.04956	2.2
97.02892	1.7
98.21515	1.4
107.04957	1.1
117.03419	1.0
123.04447	1.0
123.08059	1.6
127.03879	1.2
130.06531	1.0
133.10139	1.2
134.06046	1.0
135.04407	1.3
137.05977	7.7
145.05011	1.7
146.05949	1.2
148.03923	2.1
151.03885	2.8
151.07549	2.1
161.05984	1.4
163.03911	7.8
167.07018	2.8
173.88248	1.0
176.07043	3.4
181.05035	1.4
182.72220	1.1
183.06561	1.4
187.07565	1.0
197.10733	3.3
198.07869	2.2
198.11563	2.5
199.08751	10.0
207.13870	2.2
211.08707	10.9
212.09415	3.9
213.10242	14.6
214.07362	2.4
214.11032	3.9
225.10211	15.8
226.07346	15.0
226.10686	4.9
227.08171	19.9
227.11623	6.1
228.08931	1.5
237.10162	1.0
239.08150	1.8
239.11821	9.7
240.08891	2.4
240.12607	5.4
241.09708	19.9
241.13412	2.3
242.10509	16.4
253.09721	10.3
254.10501	3.0
255.11298	13.8
257.12872	24.0
265.83804	0.9
267.08325	1.6
267.11282	13.9
268.08463	2.8
268.12076	13.4
269.09225	3.6
269.12796	3.7
271.10757	2.0
280.12167	2.0
281.09241	3.5
285.12289	4.2
286.09546	2.3
286.12955	1.6
295.10776	8.0
296.11533	14.8
297.12418	3.1
298.13297	1.1
299.10306	2.7
300.10886	1.4
313.11823	33.8
314.12570	17.8
341.11313	5.7
342.12106	56.7
356.13464	1.3
357.13373	1.4
369.14325	1.9
373.13867	6.2
374.14703	3.8
387.15268	2.0
401.09805	3.4
411.11917	1.4
417.12610	1.2
429.12903	1.7
433.16150	1.6
443.14716	6.1
455.15329	1.1
457.12268	4.7
465.72473	1.2
471.14081	4.5
473.15558	2.9
475.13254	1.3
489.15106	31.3
499.13187	1.2
517.14551	100.0
518.14398	3.5
549.17120	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1729
Annotation	Pannellin 1-O-acetate
Peak:m/z	Relative Intensity
51.98590	1.3
52.83031	1.1
55.01857	1.3
57.03423	2.9
67.05498	1.9
69.03424	8.8
71.48488	2.3
73.02904	1.4
79.05465	1.2
81.03410	3.5
81.07070	2.5
85.02455	1.8
85.02917	24.8
90.21752	1.1
91.03934	2.0
91.05491	1.5
93.07018	1.9
94.06585	1.5
95.04949	3.2
96.04491	2.7
97.02894	9.2
97.06554	1.8
98.03304	1.1
99.04442	1.6
105.07027	3.5
107.04913	2.8
107.08579	1.6
109.02869	3.0
109.06529	2.1
115.08680	1.5
120.04479	2.2
121.06495	1.3
122.06008	1.5
123.04427	2.9
123.08080	11.3
127.03948	5.8
132.08061	1.2
133.06502	2.2
133.10132	1.2
135.04420	2.3
137.05983	19.6
145.02814	1.5
145.04974	11.2
145.10138	1.5
146.06015	1.5
147.08060	1.5
148.03938	6.1
148.07571	2.1
149.05922	1.8
149.09535	2.1
151.03883	3.1
151.06430	1.8
151.07561	18.1
158.05968	1.4
159.08067	1.5
160.07541	2.5
161.05833	1.7
163.03909	12.2
163.06010	1.6
163.11188	4.4
167.07008	5.3
175.07549	2.1
176.07094	8.9
177.05486	2.7
178.06310	1.5
181.04918	1.8
181.12201	1.9
183.06538	2.8
187.07526	2.7
189.12706	3.0
190.04933	1.3
197.10748	3.1
198.07816	2.6
198.11467	1.6
199.08711	12.1
207.13805	18.5
211.08662	12.9
211.12291	1.9
212.09431	4.8
213.10245	14.7
214.07458	1.4
214.10956	4.5
217.08588	1.4
225.10223	20.3
225.14862	1.9
226.07370	16.9
226.10732	5.7
227.08179	20.9
227.11636	6.8
239.08162	1.7
239.11839	9.4
240.08766	2.9
240.12556	5.6
241.09715	19.0
241.13333	3.0
242.10532	17.4
251.07851	1.4
251.11960	1.4
252.08739	1.4
253.09705	11.3
254.10426	3.6
255.11311	14.2
257.12894	21.2
267.11353	12.6
268.12045	16.0
269.09311	1.7
269.12756	3.9
270.09879	1.5
271.10687	1.8
280.12042	1.9
281.09244	3.8
284.11710	1.9
285.12213	4.6
286.09583	2.3
286.12991	3.0
295.10760	10.0
296.11566	14.9
297.12219	3.2
299.10141	4.0
313.08368	2.5
313.11850	34.0
314.12582	16.3
325.07242	1.3
325.15329	1.5
341.11325	6.5
342.12137	62.0
357.13342	1.7
369.14227	5.2
373.13831	5.6
374.14597	2.2
387.15216	4.8
387.20187	2.5
401.09760	3.4
411.11938	2.0
429.12961	1.6
433.16156	1.8
443.14285	4.4
455.14206	2.3
457.12256	3.7
471.13730	5.2
473.15192	4.0
489.15054	35.0
499.13623	2.9
517.14569	100.0
518.14484	1.8
535.42023	1.6
549.17053	60.1
549.24792	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	549.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53617	0.5
58.99855	1.0
68.98282	2.0
69.03429	1.2
69.79679	1.3
69.80071	1.8
70.99840	1.3
77.00919	0.9
79.05485	1.3
81.03421	0.9
82.99822	2.8
85.01421	0.9
85.02920	1.0
86.99331	1.6
89.03922	5.7
90.31919	0.5
94.99841	1.1
95.04971	0.7
97.02896	0.8
98.20757	0.6
101.00884	20.0
103.02454	0.8
105.00393	0.9
107.04955	31.7
108.05293	0.5
109.02905	0.9
111.02947	1.5
113.00864	5.5
115.02450	1.2
117.03374	5.2
119.01922	23.5
120.04237	0.5
121.06490	0.7
125.00842	0.6
127.02417	5.4
127.03901	0.9
129.03978	4.8
131.01904	11.1
133.03439	1.2
135.04414	9.5
136.04681	1.1
137.00874	0.6
137.02881	1.3
137.04488	2.3
139.02399	2.9
141.03967	1.1
143.01900	30.4
145.02597	1.1
145.03619	12.2
146.03249	0.6
147.01355	1.2
147.04987	2.0
149.03012	0.6
153.03958	5.7
155.01895	22.1
155.05521	11.8
157.03476	10.6
159.04935	0.6
161.02951	24.0
163.03900	43.8
163.06104	3.0
164.04243	6.1
165.02550	0.7
165.04039	1.9
167.01889	13.3
169.03468	5.3
170.02443	0.7
171.01285	0.6
171.05035	17.5
173.02965	21.2
173.06558	4.5
174.03012	0.6
175.04491	1.6
179.01889	6.2
179.05554	1.6
181.03500	1.3
181.07101	27.6
183.05013	4.5
185.02960	46.7
186.03159	0.7
187.02846	0.9
187.04491	4.7
189.06038	0.9
191.01978	0.8
191.03954	0.8
193.03632	0.7
195.05005	2.7
197.02951	18.3
197.06572	4.8
199.04471	1.1
199.08157	15.5
201.06026	1.2
203.03989	10.1
203.05754	1.1
205.07086	2.5
207.03358	0.9
207.05034	5.5
208.04503	0.8
209.03000	1.9
209.06598	1.3
213.06152	1.3
215.04021	9.8
216.04338	0.6
217.07138	0.6
217.92572	0.7
221.02992	0.9
221.04922	1.2
221.06810	0.9
223.08150	12.5
225.06071	14.7
227.03998	9.9
233.06668	1.0
235.08145	1.3
237.05997	0.9
239.03970	1.8
241.09157	0.7
243.07179	3.6
245.05075	100.0
246.05286	2.2
249.06071	7.5
252.85316	0.6
257.05045	6.4
261.06082	0.7
263.06152	12.8
267.07138	84.6
268.07443	2.6
269.03503	0.7
273.08243	1.2
275.06122	12.5
277.08990	0.7
279.07129	9.7
285.08273	7.6
290.08511	0.7
291.07126	1.9
293.07043	4.9
295.05182	0.6
297.04999	0.8
297.08151	12.1
298.03198	0.7
299.06064	1.1
303.07269	2.8
305.07156	9.8
309.08154	1.6
311.09860	0.7
317.07275	1.2
321.08017	1.8
327.09235	16.8
335.08289	4.2
339.09424	0.8
351.09253	8.6
365.09311	6.9
369.10321	25.3
377.57376	3.0
378.07056	2.2
386.07706	1.2
386.57870	5.8
387.07397	3.1
387.11560	20.1
387.57980	1.2
388.11652	1.2
395.08365	1.0
395.58115	1.7
396.08047	2.9
407.08731	0.6
520.08209	0.7
537.66895	0.6
549.16699	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	548.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26511	3.8
53.03933	8.0
55.01871	6.0
55.05517	33.1
65.97723	3.5
67.05503	36.9
69.07088	19.7
71.08631	3.5
75.77000	3.4
79.05503	36.6
81.03403	5.9
81.07053	39.0
83.04989	9.4
83.08622	29.0
85.06564	4.5
91.05479	27.7
92.25208	3.6
93.07053	40.1
95.04968	25.8
95.08624	26.1
97.06519	7.4
97.10152	7.1
104.34972	3.6
105.07047	28.4
107.04942	15.4
107.08563	23.0
109.06484	6.2
109.10155	9.7
109.60873	4.1
111.08093	4.8
117.07032	13.2
119.08601	30.6
121.06516	4.8
121.10149	17.9
123.08041	6.6
123.63070	3.6
125.09586	6.3
128.33324	4.0
129.07025	5.7
131.08582	16.1
133.10124	25.5
135.08023	3.7
135.11691	10.4
140.76219	5.1
142.88544	3.6
143.08565	9.2
145.10100	20.7
147.11713	24.8
149.09648	21.2
149.13173	4.9
157.10176	8.9
158.15706	3.9
159.11723	8.1
161.09680	4.2
161.13368	4.2
163.11176	29.7
171.11687	10.9
173.09644	6.3
173.13312	5.8
175.11084	5.2
179.14603	4.6
183.11795	8.8
199.04141	4.5
200.15378	3.8
203.12730	8.3
207.13811	15.2
218.46289	3.8
229.19716	4.5
237.14856	14.8
239.17899	11.2
257.18970	13.4
275.20065	100.0
289.21521	6.6
307.22638	71.0
466.25876	4.3
498.09390	4.5
548.39825	12.3
549.40576	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	549.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
55.01870	1.4
55.66992	1.1
67.05505	2.2
69.03430	4.4
69.76688	4.5
74.65173	0.9
79.05505	4.6
79.06276	1.0
81.03435	2.6
81.07063	2.1
83.04992	1.4
85.02911	8.1
87.04460	1.3
89.03925	4.7
91.05478	2.2
91.10316	1.0
94.04175	1.7
95.04992	10.3
97.02909	4.5
103.05480	2.3
103.90596	1.1
105.07054	4.1
106.06577	1.8
107.04949	8.2
109.02888	5.5
109.10178	1.2
111.04447	1.1
115.05441	1.4
117.03387	7.2
117.07088	1.4
119.08597	2.3
121.06574	1.1
122.03642	4.0
123.04440	3.9
123.08102	1.1
124.03971	1.3
125.02374	4.0
125.05949	1.0
127.03907	2.6
131.04916	2.6
133.10181	1.6
135.04445	17.8
137.02342	3.6
137.06000	54.6
143.04953	3.1
145.02864	9.3
145.04947	1.9
145.06555	2.1
147.11702	3.8
148.07632	1.8
148.43158	1.1
149.05948	2.4
151.03931	25.4
151.05109	1.5
153.05499	2.4
159.04388	1.7
161.06021	1.2
163.03929	100.0
165.12749	3.1
167.07115	7.7
173.06032	1.4
176.07014	1.3
177.05504	5.6
181.04939	10.1
191.07133	2.6
193.05023	1.4
195.06567	3.3
199.08804	2.6
205.08592	1.6
207.13837	3.8
211.08734	1.9
212.09514	1.4
213.10339	2.1
215.03387	3.3
225.10170	1.5
226.07416	2.6
227.08171	2.2
239.11665	1.3
241.09700	3.4
242.10478	2.4
253.09813	1.8
255.11497	1.7
257.12946	3.9
265.05042	2.6
267.11307	3.1
268.12149	2.3
283.06195	2.7
285.12247	1.6
295.10767	1.5
296.11490	2.8
313.11932	6.2
314.12634	2.8
319.08182	1.9
325.07056	7.5
337.09125	1.3
342.12061	8.8
351.13174	1.3
352.18549	2.3
355.10229	2.9
357.13416	8.6
369.14148	2.9
373.13730	1.5
374.14786	1.5
387.14847	7.8
443.14346	1.4
477.04108	1.2
489.15149	7.2
517.14459	17.2
531.15228	1.9
549.19360	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	548.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.3
60.94344	0.3
69.16472	0.3
69.16873	2.6
70.35040	0.3
79.05492	0.3
84.22035	0.2
91.05492	0.5
110.09889	0.3
126.53363	0.3
136.09555	0.3
210.11282	0.4
221.10762	0.3
233.10548	0.3
346.71588	0.3
374.15094	0.4
376.16742	0.4
386.16241	0.3
387.16440	0.5
388.16306	2.0
389.17496	1.6
390.18088	1.0
390.46567	0.3
401.17776	1.1
402.18286	3.1
403.18900	3.6
404.19553	6.0
405.20282	0.9
415.19550	0.5
416.20288	2.1
417.15530	0.3
417.20929	3.4
418.21347	5.7
419.21786	2.7
420.22958	0.4
430.17511	1.2
430.22101	0.6
431.17737	3.3
432.18301	6.9
432.23184	1.1
433.18396	0.3
433.24182	3.7
434.24265	14.7
444.19089	0.6
445.19357	1.9
446.20020	9.8
447.21124	4.7
458.21088	0.5
459.21918	1.1
460.21707	5.3
461.22946	18.6
462.23648	13.2
473.23312	0.8
474.23859	4.0
475.24670	2.3
488.25381	0.9
489.26123	0.8
505.25711	1.1
519.23663	0.6
520.27997	3.4
532.23767	0.3
533.25305	1.5
548.27399	100.0
549.27783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
54.97643	1.1
55.01871	4.7
55.05512	34.1
57.03429	8.4
57.07079	8.8
65.03943	4.2
65.45090	1.2
67.05506	88.0
69.03426	2.6
69.07069	22.2
71.04369	1.4
71.05006	8.7
71.08624	3.6
71.23299	2.2
79.05019	1.5
79.05493	40.4
81.03421	43.1
81.07059	80.3
82.07417	2.3
83.04984	11.2
83.08626	24.3
85.02908	18.3
85.06544	3.2
85.10191	1.8
91.05479	35.4
91.06024	2.3
93.07045	41.9
94.32014	1.2
95.04967	26.0
95.08609	51.5
96.08974	1.2
97.02904	2.3
97.06528	8.5
97.10169	10.0
99.08129	3.0
105.04544	1.5
105.07032	28.1
105.07694	1.8
106.07367	1.6
107.04955	6.1
107.08596	19.7
109.06525	4.3
109.10162	28.8
111.08113	7.0
113.05985	1.3
115.05527	1.4
117.07004	7.5
119.08588	24.8
120.08954	1.5
121.06518	4.2
121.10150	17.3
123.04443	3.2
123.08117	2.0
123.11695	10.2
125.09660	5.5
128.06218	1.4
129.07008	9.3
131.08586	12.5
132.82608	1.4
133.10130	17.7
135.08017	1.7
135.11710	7.3
137.09621	2.8
137.13257	3.9
141.06960	1.4
143.08549	2.7
145.10110	10.4
147.08064	4.1
147.11703	13.0
149.09642	4.9
149.13255	3.0
151.14792	1.5
155.08688	1.4
157.10112	9.4
159.11717	2.9
161.13312	4.8
163.11241	4.1
163.14764	2.7
165.12842	2.8
171.11691	3.7
171.62474	1.6
173.09621	1.5
173.13257	2.3
175.11160	10.8
175.14874	3.6
185.13409	2.4
187.45467	1.3
189.11252	2.1
191.10698	1.7
193.12248	37.3
203.17938	1.4
211.13290	41.3
211.15273	2.5
235.13345	4.7
245.22653	2.2
263.23715	5.3
267.15948	8.6
303.26993	2.4
337.27301	6.9
372.57834	1.4
437.34018	3.7
455.23611	1.5
455.35153	3.8
473.36154	2.5
503.37323	1.8
529.07159	1.3
529.31696	1.7
529.39044	17.5
547.39935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16610	2.1
53.03946	4.2
55.01869	4.4
55.05513	25.1
57.03443	10.3
57.07067	7.6
57.63639	2.5
66.62132	2.3
67.05508	88.0
67.35004	1.8
68.05823	2.5
69.07069	23.6
69.23960	20.4
71.04989	5.0
71.08617	2.9
73.01350	2.1
79.05497	53.5
81.03427	4.6
81.07058	100.0
82.07387	2.0
83.04967	5.5
83.08629	18.2
85.06543	4.0
91.05485	47.1
92.05808	2.5
93.07049	61.9
95.04977	9.9
95.08615	63.7
97.06487	4.0
97.10166	6.3
105.07042	38.4
107.04965	4.3
107.08604	45.0
109.06512	5.0
109.10158	33.0
117.07026	13.5
119.08578	31.9
121.06539	2.0
121.10149	29.2
123.08053	2.3
123.11720	12.4
125.09680	2.2
127.34130	2.1
128.06219	2.3
129.07019	6.1
131.08563	26.0
133.10132	27.8
135.11681	17.4
137.13203	2.3
143.08594	7.5
144.09247	2.4
145.10133	18.8
147.11694	19.9
149.09589	3.4
149.13266	20.7
157.10168	8.3
159.11691	12.8
161.13248	7.7
163.11203	2.9
163.14832	4.1
165.12761	4.6
169.10146	5.0
171.11690	6.1
173.13252	12.2
175.14867	5.4
177.12727	5.0
181.10150	2.0
181.12111	1.9
185.13284	6.9
187.14835	8.0
193.12299	4.1
195.13820	5.5
197.13219	3.0
199.14786	3.3
209.15518	2.2
211.13243	3.1
221.13330	2.7
229.14287	3.3
235.13249	3.1
243.21191	3.0
259.20605	2.6
261.22128	21.0
267.15976	3.8
269.17413	21.1
277.21884	2.7
279.23108	3.8
287.23856	4.4
290.39938	2.2
301.25256	6.1
317.24799	4.3
335.25739	19.0
437.34106	8.6
455.35300	10.3
468.93515	2.0
473.36539	10.0
503.37225	5.1
511.37854	2.8
529.38971	61.5
547.39746	68.0
548.40466	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01863	4.6
55.05514	27.7
57.03443	10.3
57.07079	12.0
65.03951	5.2
67.05508	84.4
69.03418	2.3
69.06740	0.7
69.07070	18.8
70.05826	4.7
71.04993	6.5
71.08618	7.4
78.99599	1.0
79.05499	42.6
81.02935	1.4
81.03423	43.2
81.07059	78.6
83.04990	8.9
83.08626	24.0
84.83346	1.2
85.02912	15.6
85.06541	2.9
85.10180	3.8
89.64444	1.0
91.05485	39.4
92.39665	1.0
93.07049	35.0
95.04969	25.4
95.08611	56.3
97.02882	1.6
97.06519	5.9
97.10173	9.6
97.21238	1.1
99.08088	1.6
103.05482	1.3
103.47176	1.2
105.07037	30.1
107.04966	5.0
107.08591	18.6
109.06516	2.9
109.10158	21.8
111.04439	2.0
111.08083	7.5
113.05996	2.1
115.05413	1.3
117.07043	6.7
117.07757	0.9
119.08585	25.3
121.06485	2.8
121.10142	15.9
123.04437	7.2
123.08067	2.9
123.11719	10.1
125.09642	3.5
128.06227	1.5
129.06987	8.0
131.08563	11.0
133.06490	2.5
133.10144	13.4
135.08058	1.9
135.11681	9.1
137.09616	2.9
137.13275	3.6
142.07773	2.5
143.08549	3.0
144.09471	1.0
145.06493	1.2
145.10135	8.1
147.08098	3.3
147.11699	13.9
149.09612	3.2
149.13274	4.2
153.12772	1.1
155.08563	1.3
157.10127	10.9
159.11691	2.0
161.09744	1.5
161.13274	4.2
163.11200	4.1
163.14822	3.3
165.12727	2.0
169.10091	1.6
171.11646	2.5
173.09595	1.5
173.13327	1.7
175.11235	8.7
175.14787	3.7
185.13284	1.1
187.14772	1.1
189.11230	1.7
189.12828	1.6
189.16508	1.7
193.12254	32.1
199.11188	1.5
199.14906	2.2
207.13885	1.9
211.13295	42.0
217.15939	2.9
227.12807	1.0
235.13258	10.0
239.23634	1.2
263.23749	5.1
267.15900	5.9
285.16879	1.4
287.23730	1.6
291.19696	1.4
303.26785	1.3
306.59796	1.0
313.27515	2.3
319.26434	1.8
337.27548	3.8
415.65897	1.1
437.34009	2.5
455.35153	3.8
473.36282	2.9
480.40256	1.1
527.73865	1.2
529.38800	14.1
547.39929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
52.27711	1.4
53.03949	5.9
55.01878	4.5
55.05515	32.8
57.03446	7.0
57.07080	4.9
59.04988	1.3
59.36924	1.4
65.03950	4.7
67.05507	100.0
69.03443	3.9
69.07072	29.1
71.04997	40.9
71.05378	2.6
71.08647	1.7
77.03978	2.0
79.05495	57.5
81.03416	19.2
81.07057	77.6
83.04984	10.4
83.08623	19.2
85.02907	2.9
85.06551	4.8
91.05486	46.7
93.07047	63.6
95.04964	20.0
95.08614	54.2
97.06560	7.6
97.10177	14.2
98.20792	5.0
99.08074	2.6
103.05518	1.9
105.04548	1.5
105.07035	30.2
107.04988	6.2
107.08597	29.1
107.09302	1.8
109.06560	4.8
109.10162	51.9
111.08112	6.4
111.11736	2.5
117.07027	9.5
119.08586	28.4
119.09362	1.8
121.06525	5.7
121.10148	22.8
123.08057	2.0
123.11745	6.0
125.09679	5.5
126.90908	1.4
129.07047	6.2
131.08592	15.3
133.10141	15.8
135.08072	1.8
135.11685	23.7
135.12579	1.7
137.09622	21.0
137.13277	1.7
139.11211	1.6
142.07825	1.4
143.08627	4.6
145.10138	12.1
147.08067	1.8
147.11702	12.1
149.09676	3.9
149.13290	5.9
153.12704	1.6
155.08623	1.8
155.10698	3.4
157.10202	4.9
159.11768	6.6
161.13330	6.1
163.11154	7.7
163.14885	2.8
164.12061	1.3
165.12790	1.4
166.87971	1.5
169.12201	6.8
171.11702	3.7
173.11916	2.4
173.13264	3.1
175.11273	3.9
175.14861	4.5
181.12306	3.7
185.13295	2.8
187.14880	2.8
189.11276	2.8
189.16420	1.7
193.12251	11.8
201.16425	1.8
211.13367	6.4
227.12784	7.9
245.22641	2.0
261.22079	2.3
263.23718	2.9
267.15933	15.4
269.17596	3.2
271.15500	4.0
275.20114	2.0
303.23672	1.5
303.27063	5.1
337.27478	10.5
361.27579	2.7
363.25711	2.0
437.34326	3.3
455.35336	9.1
473.36475	6.0
503.37335	15.1
515.37860	6.1
529.38885	28.9
529.46167	2.3
547.40131	86.7
551.94086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
52.42353	1.5
53.03948	5.0
55.01883	10.1
55.05516	16.7
57.03435	11.1
57.07070	2.2
61.16596	1.4
65.03947	3.6
67.05509	76.9
69.03416	5.5
69.07068	18.9
71.05009	8.8
71.49307	2.2
75.36013	1.5
79.05496	45.6
81.03413	3.4
81.07061	69.8
83.04977	8.9
83.08631	7.8
85.06549	6.2
91.05488	77.2
92.05826	1.9
93.07045	48.9
95.04967	8.5
95.08608	22.6
97.06544	7.1
97.10169	3.3
99.04442	2.0
99.08105	3.6
105.04504	1.9
105.07039	77.8
107.04944	3.6
107.08603	53.0
109.06517	7.0
109.10165	72.5
111.08080	2.1
113.05998	2.5
115.05472	1.6
117.07015	12.1
119.08585	38.3
120.08827	1.6
121.10145	14.5
123.08073	2.3
123.11712	13.6
125.09632	2.7
127.07539	2.4
128.06270	1.7
129.06999	7.6
130.07854	1.7
131.08563	20.6
133.10143	100.0
135.08057	2.1
135.11708	13.5
137.09634	3.4
143.08585	7.3
145.06516	1.8
145.10130	15.4
147.11705	28.8
149.09625	4.3
149.13283	8.5
151.11195	42.8
155.08676	1.7
157.10165	8.8
159.11694	11.2
161.09641	4.0
161.13283	24.9
163.14861	2.4
169.10104	3.4
169.12256	11.0
171.11685	9.5
173.13234	10.5
175.14827	13.3
179.10715	2.4
185.13258	9.4
187.14853	3.6
189.12778	1.7
199.14867	4.0
213.16467	2.2
215.12837	4.6
217.19420	2.2
231.21181	5.0
241.17250	2.8
241.19536	31.3
253.14357	68.0
259.20581	54.3
261.22003	2.1
271.15427	46.6
275.20026	4.4
277.21667	6.4
315.23178	6.4
333.24237	31.9
350.85666	1.6
351.24832	2.0
437.30234	2.5
501.35699	1.8
511.34039	4.7
529.35303	17.2
547.39050	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	547.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78080	0.9
55.01881	1.0
56.05024	0.9
59.60073	0.8
61.02927	2.0
63.26084	0.8
69.03440	5.8
69.26836	8.5
81.03418	3.8
85.02913	13.3
93.05779	1.9
97.02889	5.9
98.97647	0.9
103.92642	0.8
106.06567	2.9
107.04958	3.7
109.02897	1.6
115.05515	1.0
118.06605	1.0
119.05059	0.9
124.03996	1.2
124.07571	1.1
126.11097	0.9
127.03934	2.2
128.44348	0.9
129.07004	1.3
130.06512	6.4
132.04456	1.5
132.08104	3.0
135.04457	1.0
136.07611	1.0
138.05473	1.1
139.03893	1.0
142.06500	1.8
144.04529	1.0
144.08113	11.8
153.16156	0.8
154.06540	4.0
156.08107	9.5
160.07619	10.4
163.03947	2.2
165.05502	2.9
166.06551	1.2
167.07330	9.5
168.08133	5.8
169.07625	3.1
170.06119	1.4
176.07004	1.1
177.07828	1.2
180.08102	2.8
181.05247	2.6
181.08847	8.3
182.06059	3.0
182.09683	9.6
184.07596	4.3
184.09987	2.6
192.08073	1.0
194.06032	46.8
194.09692	1.7
198.77765	0.9
200.07182	1.2
206.09740	1.1
208.07594	2.9
208.11261	1.9
209.10788	7.4
210.11505	2.1
211.12357	1.5
212.07100	4.8
214.08652	17.7
216.10234	5.4
218.09761	1.2
220.07680	2.0
221.08401	1.3
222.12778	2.0
225.07864	1.5
226.08656	28.4
226.10799	1.9
236.10722	2.0
237.08009	1.7
237.10216	14.0
239.11874	1.7
240.10196	8.5
242.10461	1.9
247.12349	1.5
250.12253	1.6
252.10278	1.5
255.11308	7.8
263.08151	0.8
264.10181	1.5
265.09729	6.9
265.13358	2.5
269.12878	100.0
278.11804	2.5
281.12747	1.2
282.14935	1.1
289.13425	4.5
296.12778	1.6
297.12506	2.2
307.14487	6.1
310.14468	1.8
321.16074	4.7
335.13913	2.7
339.17078	33.8
349.15460	2.2
353.15054	1.3
367.16565	16.6
385.17743	2.1
501.22137	1.2
529.21863	7.4
547.23279	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	547.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01871	2.4
61.02949	2.1
67.05495	1.2
69.03442	10.2
69.72384	4.0
70.20564	0.9
73.02929	2.5
77.83446	0.9
79.05496	1.3
81.03416	3.3
85.02911	15.2
87.04466	2.2
95.04998	4.7
97.02911	6.2
98.20779	1.2
99.04440	1.9
101.79652	1.0
103.05469	1.2
105.07028	1.4
107.04944	1.0
109.02859	3.1
122.85699	1.0
123.04413	2.5
125.02372	0.9
127.03901	3.1
131.05011	1.7
132.04443	2.2
132.08078	4.5
137.05983	1.4
139.03868	1.9
143.07336	0.9
144.08105	2.6
145.04991	1.4
145.06483	1.9
146.06013	5.7
148.07607	1.3
151.03893	2.1
159.04463	2.0
159.06795	2.3
159.74243	1.1
160.07596	47.1
161.06068	1.4
165.05487	17.9
167.07156	1.4
170.06036	1.2
171.06744	2.6
172.07588	15.0
172.38155	1.0
173.08369	3.3
174.09116	3.9
180.08171	1.0
182.09669	1.7
183.06760	5.5
184.07623	5.8
185.08389	3.9
186.09117	8.4
187.08786	1.3
191.07045	2.5
196.07629	10.0
197.08310	6.2
198.09180	5.3
199.53993	1.1
203.11786	1.1
209.08350	1.0
210.09149	16.0
211.06178	1.5
211.09862	1.4
212.10493	1.0
220.07530	5.9
221.08310	3.3
222.09117	4.0
224.07127	4.0
226.08652	2.4
233.08255	1.9
234.08971	1.7
236.10733	1.7
237.07829	1.6
237.17210	1.3
238.08662	23.2
239.09435	8.2
246.09267	1.4
247.09952	3.3
248.10670	2.2
250.08595	1.8
250.12242	1.0
254.08072	1.5
262.12231	3.0
265.13339	5.3
266.08133	11.9
267.08914	13.5
267.11414	1.3
270.11212	2.4
278.11722	2.0
280.13345	2.2
283.10837	2.2
290.11685	4.7
297.12411	1.7
298.10715	8.2
299.11572	4.7
308.12778	1.3
315.13440	1.1
318.11221	5.6
324.12274	3.1
335.13736	1.1
336.12225	3.5
338.13889	4.4
350.13858	12.2
353.14990	3.1
356.14975	11.4
367.16632	6.5
368.14908	13.8
369.45517	1.0
374.31863	1.0
385.17621	11.0
530.20258	100.0
531.20325	1.5
547.23071	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1603
Annotation	Antibiotic Tf 26Vx
Peak:m/z	Relative Intensity
56.75697	0.5
57.02359	0.5
59.37212	0.5
59.66031	0.4
62.21485	0.4
70.65553	1.3
73.11626	0.4
73.87614	0.4
79.05510	0.4
81.03432	0.7
83.04972	0.5
118.38598	0.5
120.97115	0.5
123.04375	0.9
205.96228	0.4
271.06055	1.0
279.05548	0.5
286.08350	1.2
327.06421	0.8
327.12372	1.9
341.04520	0.7
342.05350	0.7
343.06070	0.8
351.06424	0.6
354.05267	1.0
355.05984	2.0
356.06735	1.1
357.07733	0.9
366.05405	0.6
367.06216	1.5
368.06909	1.5
369.03729	0.6
369.07736	1.5
370.04703	0.9
371.05627	1.9
372.06406	0.6
379.06345	0.7
380.07010	1.1
382.04803	1.7
383.00873	0.7
383.05475	4.3
384.06393	2.3
385.07062	1.9
386.03976	0.5
386.08478	0.7
394.04718	0.9
395.05450	3.2
396.06259	1.3
397.07196	1.8
398.07895	2.0
399.04449	1.1
399.08734	2.0
400.05865	0.9
401.06467	1.1
408.05902	0.7
409.07315	0.9
410.03665	2.2
411.04593	4.8
411.09830	0.5
412.05753	1.7
412.10394	0.6
413.06598	5.7
414.07520	5.7
415.08185	7.4
423.08893	0.9
424.09796	0.9
425.06558	1.5
426.07370	5.1
427.08276	12.4
428.09265	3.0
429.06021	2.9
429.10303	1.8
437.06668	1.4
438.07349	1.8
439.08176	1.3
440.09134	1.5
441.09827	1.5
442.06308	3.0
443.07565	10.3
444.08411	1.9
445.09174	0.7
452.09027	1.1
453.09854	0.8
454.10590	0.6
455.07324	3.4
457.09259	7.4
458.09952	10.9
459.11322	0.7
469.09216	5.8
470.10104	5.0
471.10876	0.7
473.12436	4.6
484.11639	0.6
485.12332	2.6
499.13605	2.9
503.13379	3.2
517.15009	1.3
529.15002	2.7
547.16040	100.0
548.16229	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	547.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72124	1.2
52.72855	1.0
53.03946	1.9
54.52657	1.1
55.01870	3.1
59.70095	1.2
60.50178	1.2
67.05502	1.8
74.80634	1.2
79.05495	6.8
81.07043	1.6
83.04980	2.0
85.02921	1.3
89.03913	1.6
91.05529	2.5
94.04124	1.1
95.04969	2.8
97.06520	3.3
98.97587	2.8
103.05495	6.2
105.07050	29.6
106.55107	1.1
107.04968	2.4
111.04447	1.7
115.05479	7.9
116.06215	1.3
117.03423	1.4
117.07014	2.3
118.04160	3.1
119.04960	4.6
121.06498	2.1
131.04918	5.9
132.05695	1.4
133.02855	4.7
133.06509	20.6
134.07309	2.5
137.06017	6.0
143.04913	3.3
144.08011	1.5
145.06512	4.0
146.03596	1.4
147.04430	9.7
147.08055	1.9
149.05984	2.5
150.06755	1.7
151.07513	4.9
161.06001	10.5
162.06706	1.9
163.03935	11.7
163.07561	4.6
165.05452	4.9
165.09122	2.8
167.07056	18.1
173.05986	8.0
175.07628	1.5
177.05511	2.0
178.06216	6.6
179.07054	11.5
181.04958	6.1
183.04362	1.5
187.03931	17.1
188.04633	3.2
189.05423	2.8
193.08632	46.2
194.09407	100.0
201.03716	2.3
201.05475	17.4
206.07173	1.4
207.06488	1.6
215.06923	1.8
234.06738	3.5
235.07480	2.3
249.03056	1.2
249.09143	1.8
256.44595	1.5
263.07138	2.1
276.07990	1.7
277.08554	3.3
280.07272	8.3
281.08258	1.7
295.09662	6.9
297.07828	1.4
313.10706	1.4
337.10742	3.9
355.11780	66.5
452.83926	1.1
487.18347	2.1
529.17297	1.4
538.30713	1.6
547.19086	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	546.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.9
55.01871	25.8
55.05507	50.8
57.03444	40.0
67.05505	72.1
69.03425	10.9
69.07049	17.5
71.04982	9.4
71.49101	8.8
73.02910	7.8
79.05500	66.7
81.03423	100.0
81.07061	77.7
82.04223	7.2
83.04974	33.0
83.08601	20.8
84.56978	6.9
85.02901	29.3
85.06532	6.5
91.05486	71.6
93.07059	41.1
95.04999	50.9
95.08592	33.0
97.02872	11.5
97.06526	11.2
97.10154	29.1
98.07368	7.9
105.07041	41.7
107.04944	30.1
107.08586	29.5
108.20119	6.4
109.06495	8.8
109.10149	18.6
111.08118	14.9
111.83232	6.9
116.04702	16.3
117.07005	15.9
119.08598	43.6
121.06483	12.9
121.10159	14.0
123.08080	10.3
125.09621	14.9
129.05530	43.3
129.07013	19.6
131.08546	23.2
133.06525	10.4
133.10144	26.6
143.07054	9.4
145.10139	8.9
147.11653	24.7
157.08626	17.3
157.10045	18.3
163.11136	13.6
175.11192	27.2
193.12259	73.3
200.58379	6.8
211.13319	86.2
227.12766	9.5
267.15985	32.1
285.17010	60.2
301.16467	79.3
405.29956	15.2
511.29312	34.2
546.31018	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.01863	5.2
55.05282	2.4
55.05518	34.9
57.03443	11.6
57.07067	2.5
59.05001	1.7
65.03939	2.7
67.05511	66.4
69.03426	3.7
69.07072	16.8
69.66117	9.9
71.04984	5.0
79.05498	58.4
81.03425	37.8
81.03873	1.0
81.07063	70.5
82.44308	1.4
83.04990	8.2
83.08168	1.6
83.08632	24.4
85.02920	12.9
85.06554	2.5
91.05489	45.1
93.07057	61.2
95.04378	1.9
95.04974	25.6
95.08612	38.0
97.02852	1.6
97.06514	5.4
97.10184	15.8
98.21485	1.7
99.08114	3.1
105.04481	2.0
105.07038	29.2
107.04945	6.9
107.08604	32.2
109.06517	4.9
109.10163	19.5
111.08080	6.9
117.01677	1.4
117.07027	10.9
119.08597	32.0
121.06487	4.9
121.10143	22.6
123.08073	5.0
123.11712	5.3
125.09660	10.9
128.06160	2.2
129.07021	8.2
131.08580	24.3
133.06525	2.3
133.10162	20.0
135.08038	3.9
135.11717	16.4
137.09671	4.3
137.13243	1.5
141.06927	2.1
142.07782	4.3
143.08569	6.6
145.06546	2.3
145.10123	14.7
147.08060	4.8
147.11681	16.7
149.09586	5.4
149.13286	6.2
155.08537	1.7
157.10129	10.2
159.11722	11.2
161.13229	7.3
163.11200	4.3
165.12756	1.8
169.10146	3.2
171.11694	4.9
173.09642	1.9
173.13191	7.0
175.11134	7.6
175.14848	3.4
177.12733	1.9
178.54851	1.6
179.14297	4.5
181.10161	1.8
183.11720	3.6
185.13197	3.3
187.14819	5.0
189.11198	5.2
193.12254	29.2
195.11752	2.9
197.13110	1.8
199.14824	2.0
201.12675	1.8
211.13275	22.8
211.15044	2.4
227.12851	10.0
243.21173	2.7
247.17122	2.1
261.22202	9.3
267.15884	16.2
271.20334	1.6
277.21661	3.3
279.23248	3.3
285.22092	4.3
287.19907	2.4
301.25235	13.7
303.22916	1.9
311.23331	1.9
317.24841	1.9
335.25873	11.9
403.24509	1.6
417.31506	1.7
421.25974	2.8
435.32568	6.1
453.33557	10.2
471.34647	6.6
509.35947	2.8
527.37427	34.7
545.38367	100.0
546.38812	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01859	3.9
55.05512	27.7
57.03434	8.2
57.07064	1.7
59.17645	1.8
65.03931	3.9
67.05506	56.6
69.01179	1.5
69.03418	2.8
69.07069	15.1
70.98595	3.5
71.04980	4.7
79.05492	56.6
81.03419	36.9
81.07057	59.7
83.04977	8.4
83.08619	23.1
85.02911	14.5
85.06544	2.1
91.05482	46.3
93.06486	3.1
93.07044	44.6
93.07637	2.1
95.04970	21.6
95.08607	35.3
97.06521	4.7
97.10165	10.0
98.21056	3.0
105.04531	2.0
105.06402	2.6
105.07034	29.6
107.04930	5.5
107.08595	26.0
109.06515	6.3
109.10164	16.7
111.08088	8.8
117.07043	10.9
119.08589	23.5
121.06551	2.2
121.10146	21.0
123.08094	3.0
123.11717	5.6
125.09624	4.6
126.71747	1.7
129.07021	11.2
131.08568	19.9
133.06541	2.8
133.10162	17.4
135.08025	3.5
135.11699	12.5
137.48627	1.4
141.07040	1.9
142.07794	2.1
143.08597	5.1
145.10118	11.4
147.08032	2.9
147.11687	11.7
149.09604	3.7
149.13264	4.5
157.10101	11.8
159.11726	6.1
161.13268	5.8
165.12776	3.9
169.10129	4.0
171.11707	4.5
173.13261	6.9
175.11180	10.9
175.14786	1.6
183.11743	3.6
185.13286	2.1
187.14854	4.5
189.11272	3.1
191.14479	2.0
193.12245	39.2
195.11644	1.7
199.14755	2.7
211.13269	36.2
221.15749	1.8
227.12802	5.2
261.22061	8.0
267.15881	9.3
285.22156	2.8
301.22128	1.8
301.25342	8.6
335.25842	7.0
359.26111	1.9
417.31326	2.2
423.21973	1.8
435.32727	5.7
436.80093	2.1
453.33560	6.9
471.34796	4.3
527.37335	27.4
528.37872	2.1
545.38379	100.0
546.39166	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	10.9
55.01870	3.4
55.05272	2.3
55.05513	32.0
57.03430	11.1
57.07077	3.0
65.03942	5.1
67.05505	63.3
69.03425	2.9
69.07063	17.7
69.46234	2.8
69.46644	9.8
71.04984	6.1
71.57491	1.9
77.03924	1.8
79.05495	65.6
80.20969	1.9
81.03423	52.9
81.07059	64.2
83.04988	9.5
83.08622	22.6
85.02904	22.3
85.06523	3.1
91.05486	51.7
93.07049	57.5
95.04973	25.2
95.08606	39.3
97.02884	2.5
97.06535	4.5
97.10162	9.9
105.04529	3.0
105.07034	35.2
105.07702	3.1
107.04948	5.9
107.08598	31.4
109.06524	5.1
109.10171	16.6
111.04456	1.8
111.08108	9.3
116.55430	1.7
117.07013	10.1
119.08591	30.2
119.09386	2.7
121.06498	1.9
121.10143	25.1
123.08057	2.2
123.11713	5.1
125.09624	3.6
129.07014	12.9
131.08575	20.5
133.06558	2.8
133.10129	18.4
135.11710	14.3
142.07797	3.3
143.08601	4.3
145.10132	12.2
147.11682	15.5
149.09630	4.0
149.13274	5.3
157.10130	10.4
159.11697	9.4
161.13277	5.4
163.11151	2.4
163.14911	1.9
165.12756	2.1
169.99173	1.7
171.11711	3.7
173.13245	5.8
175.11180	14.0
175.14816	3.9
185.13242	2.3
187.14854	2.6
189.11201	2.3
193.12250	42.8
195.11729	2.0
196.08423	1.7
211.13290	44.3
227.12790	3.1
261.22156	7.4
267.15921	7.4
301.25244	4.9
317.25195	2.1
335.25778	6.0
430.46652	1.8
435.32614	6.4
453.33728	7.0
471.34671	3.3
527.37201	19.8
545.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01872	2.4
55.05518	32.9
57.03442	11.6
57.07066	1.9
65.03944	5.4
67.05511	72.5
69.03436	4.6
69.07076	19.1
71.04987	5.3
77.03982	1.7
79.05500	68.4
81.03427	47.9
81.07067	68.9
83.04989	11.0
83.08630	22.4
85.02916	24.3
85.06556	2.7
91.05488	50.4
93.07056	62.0
93.07645	2.9
95.04975	26.5
95.08616	37.5
97.02896	2.7
97.06564	5.7
97.10178	7.0
99.08071	2.2
105.04507	1.8
105.07040	38.9
107.04967	3.9
107.08612	31.1
109.06519	5.1
109.10166	13.2
111.04466	3.2
111.08079	12.0
113.05979	2.4
115.05440	2.7
117.07037	12.3
119.08593	32.1
121.06522	2.1
121.10155	30.9
123.08091	3.5
123.11746	7.4
125.09650	5.1
129.07033	11.4
131.08583	22.6
133.06531	3.7
133.10135	16.4
135.08044	2.4
135.11711	15.2
137.09673	2.5
143.08578	4.3
145.10143	13.7
147.08081	2.0
147.11707	16.7
149.09634	4.9
149.13268	6.6
157.10141	11.7
159.07976	1.9
159.11729	9.8
161.13295	7.5
163.14839	1.7
165.12743	3.3
169.10124	2.1
171.10332	2.0
171.11755	5.5
173.13266	5.6
175.11237	11.9
175.14868	2.8
185.13228	3.2
187.14914	3.2
193.12259	48.7
197.13283	2.4
209.13353	2.6
211.13293	52.3
213.16571	1.9
227.12820	2.3
243.21248	1.9
261.22226	6.3
267.15909	7.7
285.22397	3.1
301.25330	5.4
303.23215	4.1
311.23737	2.0
335.25558	3.4
417.31235	2.6
435.32703	6.0
453.33704	4.7
471.34677	4.1
514.01862	1.8
527.37360	21.3
545.38416	100.0
546.38708	5.0
549.00708	1.8
554.37506	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84303	1.2
52.19781	1.2
69.03424	2.6
70.91615	3.4
74.17635	1.3
85.02916	9.9
91.05527	2.9
93.07594	1.3
97.02887	2.1
97.92442	1.2
103.05469	26.1
119.04961	3.7
121.06546	2.1
123.04416	3.2
131.04939	100.0
133.02863	1.5
135.81789	1.8
137.05978	27.3
147.04419	29.4
147.08049	6.8
149.05986	7.5
150.06789	1.8
151.07570	6.5
157.06447	2.0
161.06010	3.8
162.06783	5.0
163.07552	86.5
164.07922	1.6
175.07539	18.2
193.08607	31.4
199.82660	1.3
208.23433	1.6
211.07581	1.4
251.07446	1.4
253.08987	1.4
253.11986	1.3
271.09705	2.9
283.09598	1.6
299.12845	6.1
311.13193	1.6
317.13791	19.5
383.59979	1.3
390.48209	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1639
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
57.03423	0.9
59.80022	0.4
67.04814	0.5
69.03431	0.6
70.02021	0.4
71.04971	0.8
71.48225	0.6
81.03411	0.5
81.07060	0.7
83.04989	0.5
85.02905	1.2
90.65139	0.5
91.05476	1.8
93.07057	0.5
97.02833	0.5
105.07057	0.9
107.04931	0.8
107.08577	0.6
119.08582	0.7
137.05959	0.6
153.01852	0.9
163.03932	0.5
185.04260	0.9
191.14157	0.4
213.09230	0.7
236.65489	0.5
251.06946	1.5
317.08447	10.3
373.82507	0.5
399.10876	1.1
413.12485	0.8
545.16309	100.0
546.16541	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92978	0.5
53.03957	0.5
57.03442	1.0
67.05511	0.9
67.34363	0.5
69.03422	1.4
69.07043	0.8
71.48746	0.5
71.49133	0.6
71.57351	0.5
76.00555	0.5
79.05521	0.7
81.07075	1.0
85.02901	1.6
87.04514	0.5
91.05486	1.7
93.07042	0.8
97.02873	1.5
102.78699	0.6
105.07037	1.1
114.75468	0.4
119.08598	0.6
127.03818	0.6
131.08502	0.6
145.10147	0.6
149.28241	0.4
167.07051	0.4
201.05321	0.6
229.06815	0.7
231.31110	0.5
251.06845	1.9
313.03687	0.5
317.08469	9.1
317.12003	0.4
383.16046	0.6
386.65375	0.5
399.10822	0.9
545.16302	100.0
546.16687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.0
53.03951	10.5
55.01873	4.8
55.05271	2.6
55.05517	31.1
57.03439	9.6
57.07076	3.6
65.03943	3.5
67.05507	65.0
69.03435	6.0
69.07073	14.1
70.33364	1.6
70.62480	5.8
71.04993	5.7
77.03930	2.5
79.05501	63.0
81.03425	44.9
81.07060	66.3
83.04978	10.0
83.08629	20.9
85.02907	21.8
85.06560	4.2
91.05491	51.2
93.07053	57.4
93.07644	2.9
94.72024	1.6
95.04980	23.7
95.08009	2.2
95.08615	40.0
97.02855	2.5
97.06520	4.8
97.10180	6.9
102.72813	1.7
105.04516	2.9
105.07043	36.4
107.04966	5.8
107.08602	27.2
109.06528	2.7
109.10169	16.8
111.04453	2.6
111.08102	12.3
113.06014	1.8
115.05452	2.9
117.07043	10.2
119.08592	24.7
121.06524	3.2
121.10153	29.7
122.10010	1.6
123.08088	3.4
123.11716	4.8
125.09660	3.9
129.07036	10.7
131.08586	26.3
133.06499	2.0
133.10141	14.3
134.77908	2.0
135.11699	13.5
136.05475	1.7
137.09659	2.6
142.07774	3.0
143.08606	3.5
145.10135	10.2
147.08081	2.2
147.11670	14.4
149.09647	3.8
149.13322	2.4
155.08684	2.1
157.10094	14.8
159.11716	6.5
161.13245	5.7
165.12762	3.2
173.13297	7.2
175.11226	9.5
175.14812	2.6
187.14787	2.5
189.11374	2.0
193.12250	48.8
211.13297	49.4
211.15279	2.8
211.47977	1.9
221.60332	1.8
227.12801	3.4
261.22189	3.9
267.15942	6.2
271.17020	1.6
285.22241	2.3
301.25375	5.1
303.22977	1.7
335.25812	3.8
385.00864	1.9
435.32785	3.1
453.33694	5.6
471.34760	2.8
509.36581	3.6
527.37317	20.4
536.76758	2.1
545.38446	100.0
546.38385	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98278	0.8
53.03942	3.5
55.01870	5.4
55.05513	22.0
57.03431	3.5
57.07075	1.3
59.05004	1.5
65.03937	1.6
66.29350	0.9
67.05507	32.6
67.46764	0.8
69.03426	1.6
69.07072	11.4
70.07887	3.6
71.05003	1.7
77.03966	0.9
79.05495	26.3
80.72477	0.9
81.03433	6.1
81.07060	31.3
83.04974	4.7
83.08618	11.2
85.06564	2.0
91.05482	19.9
93.07048	24.2
95.04961	5.3
95.08616	16.4
97.06539	2.3
97.10172	12.5
98.20905	0.9
104.90614	1.1
105.07040	17.2
107.04951	3.0
107.08602	13.5
109.06531	2.2
109.10163	10.4
111.04453	1.3
111.08076	3.1
115.05418	1.2
117.07021	12.7
119.08586	16.5
121.06525	2.4
121.10157	8.7
123.08092	2.6
123.11711	4.6
125.09643	9.8
128.06248	2.9
129.06999	8.4
130.07808	1.6
131.08578	17.6
133.06499	1.0
133.10141	12.3
135.08075	2.1
135.11740	7.0
137.09622	1.2
141.07007	2.1
142.07867	2.3
143.08583	8.3
145.06494	1.9
145.10136	15.1
147.08043	1.1
147.11681	8.5
149.09656	1.9
149.13319	2.8
153.12700	1.1
155.08568	5.1
157.10127	7.1
159.08047	2.7
159.11697	10.9
161.09645	1.4
161.13301	3.1
163.11172	4.7
168.98091	0.8
169.10106	6.3
171.08086	1.3
171.11702	6.3
173.09738	1.9
173.13237	8.3
175.11201	1.3
175.14902	2.1
181.10086	1.9
183.11708	5.4
185.13216	4.5
187.11168	1.9
187.13370	1.0
187.14738	4.5
189.11188	5.2
193.12289	2.8
195.11752	2.4
197.13283	4.7
199.11238	1.4
199.14861	3.9
201.12877	1.3
201.16360	2.4
209.11665	2.0
209.13353	2.3
211.14842	2.6
213.16382	1.9
221.13361	0.8
223.14865	2.2
225.16298	1.2
227.12778	10.7
239.18063	1.0
243.21080	1.3
247.14915	1.3
255.21317	1.1
257.19073	1.1
259.20621	2.9
261.22156	2.2
263.18314	0.9
267.15784	2.2
283.20569	2.9
297.21933	1.4
299.20435	1.9
299.23676	13.1
301.21777	1.3
311.82965	1.0
315.23114	1.1
317.24957	1.7
325.21658	1.2
333.24219	1.5
353.24741	1.1
357.24185	1.6
415.29999	1.9
423.32599	1.1
433.31009	5.9
451.31949	12.5
469.33344	5.2
487.34412	3.8
496.89835	1.0
499.33679	1.0
515.37189	1.1
525.35699	20.0
543.36847	100.0
543.49615	2.7
544.37573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.50628	1.1
53.03932	2.3
53.81909	1.0
55.01867	4.5
55.05515	17.4
57.03429	4.4
57.07075	1.2
59.04990	1.4
65.03930	1.9
67.05504	25.3
69.03436	2.2
69.07069	9.3
70.11275	2.1
71.05002	1.1
79.05496	19.2
81.03422	5.7
81.07056	23.5
83.04974	2.1
83.08629	8.3
85.02934	1.1
85.06547	2.1
89.02937	0.9
91.05481	18.5
91.75000	1.0
93.07035	16.9
95.04976	6.3
95.08611	13.3
97.06546	2.9
97.10177	9.8
103.05479	1.6
105.07035	16.1
107.04939	3.4
107.08586	10.2
109.06522	2.6
109.10171	10.0
111.08087	2.2
115.05475	1.8
117.07022	12.2
119.08591	12.9
121.06523	2.5
121.10163	5.9
123.08061	1.5
123.11700	2.3
125.09603	4.4
128.06230	3.0
129.07013	11.6
131.08572	17.9
133.06474	2.6
133.10135	9.4
135.08064	3.3
135.11708	3.9
137.09621	1.4
141.07008	3.6
142.07727	2.5
143.08572	11.3
145.06523	3.8
145.10120	13.0
147.08069	1.9
147.11714	6.5
149.09616	1.3
149.13261	1.2
153.06996	1.3
155.08594	6.2
156.09364	1.0
157.06566	1.0
157.10127	9.5
159.08041	4.1
159.11690	8.8
161.13286	3.3
163.11234	1.4
167.08612	2.8
169.10150	9.0
171.08064	2.2
171.11665	10.4
173.09650	2.3
173.11995	1.2
173.13258	6.8
175.11240	2.3
175.14894	1.2
177.12691	1.0
179.08658	1.1
181.10139	3.7
183.11652	6.2
185.13251	6.0
187.11288	1.2
187.14851	3.7
189.11226	2.1
193.12337	2.9
194.10933	1.0
195.11774	3.5
197.13309	3.8
199.11255	1.9
199.14873	4.2
201.12823	1.4
207.11836	1.0
209.13338	3.8
211.14882	2.6
213.12665	1.7
213.16402	1.7
223.14816	2.4
225.16545	1.3
227.12692	3.0
229.14381	1.1
237.16444	1.8
239.18042	1.3
241.19678	2.0
247.17056	1.5
247.94638	1.0
259.20593	2.8
267.15997	2.8
283.20410	2.1
297.22189	2.3
299.23721	4.8
301.21677	1.5
315.23108	2.1
325.21716	1.6
333.24472	1.3
339.23203	2.2
357.24509	1.2
415.29990	2.5
423.32797	2.1
433.31018	7.1
451.32153	10.4
469.33298	4.9
477.71533	1.1
487.34155	1.7
515.37311	2.1
525.35864	16.6
543.36847	100.0
544.37231	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	543.3683
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03955	1.5
55.01868	3.3
55.05515	16.7
57.03432	3.1
57.07072	1.3
59.05016	1.2
65.03940	1.5
67.05507	26.0
69.03422	1.2
69.07072	8.5
69.92114	4.1
71.05001	1.8
72.77542	0.8
79.05505	18.9
79.20219	0.8
81.03428	5.7
81.07059	20.6
83.00397	0.9
83.04980	2.0
83.08610	7.8
85.06558	1.6
91.05489	18.9
93.07045	12.9
95.05003	5.1
95.08064	1.4
95.08613	14.2
97.06540	2.9
97.10165	8.0
98.05974	0.8
99.08109	1.1
102.43085	0.8
105.04553	1.0
105.07036	19.2
105.07701	1.5
107.04980	2.3
107.08592	10.9
107.95164	0.8
109.06495	2.5
109.10165	9.2
111.08093	2.1
115.05450	1.8
117.07029	11.9
119.08596	11.6
121.06512	3.1
121.10146	4.5
123.08071	2.0
123.11687	1.2
125.09641	6.3
128.06198	2.3
129.07013	10.3
130.07703	0.8
131.08571	16.7
133.10146	8.9
135.08044	2.1
135.11714	3.0
141.07010	3.0
142.07799	2.7
143.08588	9.6
144.09351	1.0
145.06496	2.8
145.10143	13.5
147.08078	1.9
147.11678	5.7
149.09656	2.6
149.13336	1.8
149.89299	0.8
154.07852	0.9
155.08565	7.0
157.06560	1.2
157.10133	9.0
159.08080	3.2
159.11699	11.6
161.09659	1.5
161.13263	3.4
163.11246	1.5
167.08612	3.0
168.09319	1.3
169.10132	7.5
171.08075	2.3
171.11694	8.3
173.09689	2.5
173.11876	1.6
173.13309	4.3
175.11214	2.3
175.14813	1.0
181.10150	4.5
183.08171	0.9
183.11710	5.1
185.09697	1.6
185.11914	1.0
185.13254	5.6
187.11261	1.6
187.14781	2.1
189.11263	2.1
189.12794	1.1
193.10240	1.2
193.12233	2.1
195.11784	2.7
197.13297	3.7
199.14876	3.7
201.12730	1.8
201.16403	1.7
207.11624	2.0
209.13263	3.8
211.14819	2.6
213.12953	1.4
215.14114	0.9
221.13312	1.4
223.14885	3.4
225.16412	1.4
226.84851	0.9
227.12701	2.3
229.14322	1.4
233.15538	1.0
241.19543	1.7
257.19089	1.1
259.20621	2.9
263.17844	1.2
265.19437	1.3
267.16019	3.6
275.20242	1.0
283.20605	1.5
297.22168	3.3
299.23633	5.7
301.21640	1.5
313.21823	1.1
333.24335	2.1
339.23312	2.0
343.13312	0.9
357.24420	1.4
415.29907	2.5
423.32986	1.9
433.31076	8.5
451.32181	11.5
469.33075	5.6
487.34451	1.0
503.24911	0.9
507.34924	2.7
515.37262	1.2
525.35791	17.5
543.36835	100.0
544.37225	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01875	1.7
55.05512	20.5
57.03427	4.4
57.07104	1.2
59.12716	0.9
65.03931	1.5
67.05508	26.7
69.07070	12.3
69.87923	4.1
69.88324	1.8
71.04987	2.6
79.05495	20.4
81.03422	6.5
81.07056	23.1
83.04984	3.7
83.08627	10.0
84.44460	1.1
85.06527	1.5
91.05484	17.6
93.07049	18.3
95.04979	4.3
95.08604	13.9
97.06544	1.7
97.10164	7.1
103.05431	1.2
105.07026	14.4
107.04973	2.2
107.08585	11.7
109.06548	1.6
109.10143	9.0
111.08115	2.1
115.05473	1.5
117.07021	12.3
119.08568	11.2
121.06476	2.6
121.10133	5.5
123.08112	1.1
123.11735	1.8
125.09654	4.6
128.06236	3.4
128.83746	1.1
129.07013	12.2
131.08565	17.3
133.06493	1.9
133.10136	7.9
135.08046	2.7
135.11707	2.7
137.09665	1.7
141.07036	3.1
142.07797	1.3
143.08566	10.9
145.06491	2.3
145.10112	13.7
145.11143	1.2
147.07973	2.0
147.11687	5.5
149.13297	1.4
155.07301	1.2
155.08530	7.1
156.09340	1.0
157.10135	9.8
159.08095	2.8
159.11700	11.1
161.09624	1.7
161.13264	3.3
163.11137	1.8
167.08571	2.6
169.10135	6.8
171.08121	1.2
171.10265	1.7
171.11678	8.8
173.09631	2.1
173.13199	7.0
175.11183	2.8
175.14874	1.5
177.12787	1.0
181.10214	3.5
183.11642	5.2
185.09694	1.5
185.13274	5.1
187.11176	2.1
187.14879	2.0
189.11259	2.8
193.10240	1.7
193.12318	3.2
195.11745	4.1
197.09560	1.4
197.13298	4.6
199.14845	4.3
209.13255	3.8
211.14877	2.6
213.12868	1.7
213.16400	1.3
215.18024	1.1
221.13214	1.8
223.14839	1.4
227.12735	2.2
241.19403	2.0
259.20718	3.7
263.17905	1.3
265.19626	2.0
267.15897	2.2
269.00082	1.1
271.16635	1.1
283.20673	2.8
287.54837	1.1
291.99042	1.1
297.22272	3.5
299.20551	1.2
299.23627	5.0
311.23529	1.2
315.22983	1.3
333.24155	2.0
337.25363	1.3
341.24319	1.8
353.24750	1.0
357.24405	1.4
415.30029	3.9
423.32324	1.1
433.31003	8.1
451.32132	9.8
469.33160	4.1
507.34552	1.8
515.37573	1.6
525.35748	19.0
543.36835	100.0
544.37250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01872	6.0
55.05515	26.6
57.03432	4.0
57.07076	1.2
57.49840	1.2
58.73158	1.2
59.04986	1.7
63.37101	1.1
65.03960	2.3
67.05508	34.8
69.03426	3.0
69.07070	10.7
70.06851	3.1
71.04976	2.0
79.05493	29.2
81.03412	5.5
81.06592	2.3
81.07059	29.1
83.04987	6.1
83.08625	11.9
85.06519	1.1
86.70712	1.2
91.05490	23.3
93.07048	26.7
94.87164	1.0
95.04970	6.1
95.08612	18.3
97.06523	2.7
97.10179	10.3
98.21371	1.2
103.05465	1.2
105.07037	19.9
107.04956	3.7
107.08591	17.2
109.06510	2.6
109.10160	8.0
111.04430	1.7
111.08079	2.2
117.07047	11.3
119.08590	14.3
121.06519	3.1
121.10167	10.3
123.08075	2.0
123.11729	2.3
124.97015	1.6
125.09646	8.5
128.06221	1.9
129.07025	7.3
131.08582	18.0
133.10126	9.8
134.90810	1.2
135.08058	3.1
135.11699	9.5
135.23622	1.1
141.06996	2.2
142.07793	2.0
143.08556	8.1
145.06537	2.3
145.10115	15.8
147.08086	1.5
147.11676	6.6
149.09717	1.2
149.13202	2.6
153.09030	1.9
153.12732	2.3
155.08577	4.7
157.06580	1.3
157.10117	8.2
159.08087	2.3
159.11711	11.1
161.09657	1.4
161.13278	4.1
163.11180	7.2
167.08554	1.3
169.10144	4.6
171.08086	1.4
171.10306	1.8
171.11610	6.6
173.09628	2.4
173.13289	5.4
175.11205	2.0
175.14787	1.7
181.10187	1.5
183.11726	3.4
184.12354	1.1
185.13290	5.7
187.11266	1.6
187.14838	3.2
189.11195	6.4
191.10689	2.4
193.12238	1.7
195.11734	2.2
197.13278	2.4
199.14857	2.2
209.11583	1.8
209.13348	2.1
211.14911	1.6
213.16447	1.4
215.17841	1.2
223.14851	1.3
227.12802	4.0
259.20609	2.5
261.22147	3.6
281.18726	1.3
283.15610	1.5
283.20554	1.5
297.22427	1.5
299.23712	11.5
301.21750	1.4
323.23572	1.6
339.23242	1.4
415.29816	1.7
423.32956	1.5
433.31003	4.1
451.31937	8.1
469.33163	4.6
487.34293	2.7
515.37689	1.5
525.35925	16.1
543.36859	100.0
544.37158	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01869	2.7
55.03408	0.8
55.05270	1.3
55.05513	16.4
55.73168	0.8
56.47138	1.0
57.03433	4.3
57.07069	1.3
59.04995	0.9
65.03938	2.2
65.18008	0.9
67.05511	23.1
69.03413	2.2
69.07070	7.2
69.46289	6.6
71.04983	2.6
71.08223	0.8
71.08614	1.1
79.05494	18.2
81.03410	5.4
81.07059	20.3
83.04977	2.6
83.08614	7.2
83.40793	1.0
91.05483	19.3
93.07047	16.5
95.04977	4.8
95.08615	13.2
97.06551	1.6
97.10173	6.6
98.20771	2.0
103.05506	1.2
105.07027	16.6
107.04958	3.3
107.08590	11.8
109.06532	1.4
109.10155	9.4
111.08099	2.3
113.09680	0.9
115.05459	2.2
117.07008	12.1
119.08574	13.9
121.06519	2.7
121.10145	6.1
123.08076	1.8
123.11687	2.3
125.09653	6.0
128.06253	2.0
129.07014	8.9
131.08575	14.1
133.06496	2.0
133.10139	9.8
135.08089	2.4
135.11697	3.4
137.09659	1.6
141.07007	3.8
142.07791	2.6
143.08562	9.9
145.06479	2.8
145.10112	13.2
147.08076	1.6
147.11716	5.6
149.09660	2.2
149.13252	1.9
151.11255	1.1
155.08531	5.5
157.10110	11.6
159.08037	3.0
159.11697	9.2
161.09602	1.0
161.13287	2.6
163.11166	1.8
167.08601	2.9
168.27931	1.0
169.10126	7.4
171.08046	1.1
171.11678	10.2
173.09633	2.7
173.13240	6.6
175.11211	1.8
175.14854	1.7
181.10155	4.6
183.11685	4.6
185.09697	1.8
185.13254	7.5
187.11232	2.2
187.14848	2.9
189.12773	1.2
193.10289	1.0
193.12302	2.7
195.11736	3.4
197.13286	4.8
199.11156	1.3
199.14861	3.0
201.12666	1.6
203.14369	1.5
207.11563	1.2
209.13287	3.1
211.13110	1.1
211.14883	2.6
213.12808	1.6
213.16492	1.5
221.13159	1.3
223.14894	3.6
225.16394	1.7
227.12715	1.8
229.14230	1.2
235.14909	1.5
237.16435	1.4
241.19417	1.2
259.20584	4.9
267.15979	3.0
281.22513	1.1
283.20602	2.7
285.18591	1.0
297.22055	1.9
299.20267	1.8
299.23798	3.8
327.23257	1.1
333.24228	1.2
339.23233	1.2
357.24380	1.3
371.25793	1.0
405.32330	1.3
415.30139	3.4
423.32559	2.6
433.31079	6.4
451.32254	9.1
469.33276	5.0
487.34274	1.2
507.34250	2.0
515.37372	2.5
525.35785	22.0
525.43060	1.8
543.36859	100.0
544.37317	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	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55312	0.8
55.36629	0.8
71.39146	1.8
98.97572	0.8
159.07175	0.9
160.01294	1.0
171.06433	0.9
181.01906	1.1
226.98021	0.9
245.05092	2.0
249.08583	1.1
269.15741	0.8
276.06137	0.8
351.11319	2.0
363.06680	2.3
365.09775	1.0
367.22443	1.0
378.93890	1.1
381.03436	1.5
381.07990	17.8
400.72269	0.9
502.74655	0.9
543.13232	100.0
544.13690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01868	2.5
55.05516	21.3
57.03431	2.8
57.07069	1.5
57.71521	0.8
58.87923	0.8
59.04990	1.1
63.40950	0.7
65.03946	1.4
67.05509	26.3
69.03421	2.0
69.07066	8.1
69.21990	7.1
71.05006	1.6
79.05499	22.6
81.03384	3.9
81.07059	20.9
83.04973	3.3
83.08624	9.2
85.06538	1.4
91.05484	18.0
93.07052	15.0
95.04985	4.4
95.08620	11.6
97.06554	2.0
97.10175	13.5
103.05451	1.1
105.07033	15.4
107.04964	3.0
107.08591	9.1
109.06517	2.6
109.10178	5.7
111.08091	2.1
115.05456	1.9
117.07010	11.3
119.08588	12.7
120.05680	1.0
121.06557	1.7
121.10143	3.6
123.08108	1.5
125.09637	10.1
128.06252	4.3
129.07002	13.7
130.07773	1.2
131.04967	1.0
131.08574	14.1
133.06496	1.3
133.10138	6.9
135.08054	3.1
135.11702	2.4
137.09621	1.0
141.06989	5.7
142.07790	3.5
143.08557	13.7
145.06502	2.4
145.10130	9.8
147.08047	1.9
147.11700	3.9
149.09669	1.1
153.06981	1.1
153.09120	0.9
153.12813	1.4
154.07788	1.4
155.08560	8.5
156.09395	2.1
157.06497	2.0
157.10130	10.4
159.08029	3.1
159.11700	6.1
161.09671	1.9
161.13261	1.4
163.11203	1.6
165.07071	2.0
167.08586	4.5
168.09424	1.1
169.10146	9.7
170.10918	0.9
171.08087	2.8
171.10289	1.6
171.11671	10.1
173.09676	2.3
173.13339	3.7
175.11160	1.2
178.07809	1.1
179.08629	2.5
180.09328	0.9
181.10146	5.4
183.08038	1.3
183.11711	8.1
185.09668	2.7
185.13272	7.4
187.11189	2.1
187.14821	2.0
189.11226	4.7
193.10190	2.8
195.11688	5.6
197.09634	1.8
197.13281	5.4
199.11194	2.1
199.14807	3.3
201.12735	0.9
205.10178	1.5
207.11720	2.3
209.09642	1.0
209.13348	5.4
211.11208	1.8
211.14857	3.0
213.12685	2.1
213.16518	1.1
219.11588	1.2
221.13298	3.2
223.14824	2.8
225.12903	1.2
225.16432	1.6
227.12694	6.2
233.73792	0.9
235.14799	2.1
239.14330	1.8
243.14468	0.8
245.13173	1.1
253.15710	1.1
257.19281	1.7
259.20615	1.1
261.16483	1.2
263.18124	1.7
277.19574	0.9
279.17734	1.1
279.20926	1.2
281.19171	2.3
285.18732	1.3
297.18808	1.7
297.22122	10.3
299.20142	1.0
311.19821	1.1
313.21609	1.3
315.23291	1.6
323.19989	2.1
331.22498	1.1
337.21576	1.2
351.23169	2.4
355.22705	1.7
403.29968	1.2
413.28397	1.2
421.31049	2.4
431.29486	6.2
449.30499	11.1
459.27505	1.2
467.31717	8.3
485.32739	3.9
487.31387	1.1
505.33157	1.3
513.35638	1.8
523.34229	12.3
541.35291	100.0
542.35809	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	540.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01862	5.0
55.05515	21.2
57.03419	5.0
57.07080	15.2
60.99657	1.9
65.03944	2.9
67.05504	41.9
67.41187	1.5
69.03415	2.2
69.07066	16.4
69.45320	11.5
70.06577	6.4
71.04974	7.5
71.08625	6.5
79.05080	2.2
79.05495	30.0
81.03432	9.4
81.07053	34.6
83.04972	9.1
83.08621	20.8
84.08968	2.4
85.10162	3.7
88.07619	7.7
89.06007	2.9
91.05482	34.3
93.07043	33.3
95.04964	28.2
95.08615	24.4
96.08923	2.1
97.02853	2.1
97.06525	6.9
97.10172	5.7
99.08141	2.5
102.09167	5.6
105.07026	30.4
107.04924	8.2
107.08607	18.5
109.06491	4.7
109.10155	19.5
111.04455	2.7
111.08031	4.2
117.07012	10.6
119.07723	1.9
119.08578	29.0
121.06510	3.9
121.10159	14.4
123.08073	4.8
123.11707	4.1
125.09608	6.0
129.06992	3.8
131.08577	13.4
133.10139	20.9
135.08073	2.6
135.11723	9.1
136.65807	1.8
137.09589	9.6
143.08546	2.7
145.10132	20.2
147.11678	13.3
149.09624	18.8
151.11200	2.0
155.08606	3.0
157.10112	4.6
159.11644	11.2
161.09558	2.7
161.13228	4.8
163.11192	24.2
165.12692	2.1
169.10107	5.1
171.11751	6.1
173.09622	3.9
173.11751	7.5
173.13210	3.3
183.11710	3.6
187.03922	1.7
187.11192	2.6
187.13321	7.0
189.11215	4.4
191.14282	1.9
196.79947	1.8
197.13234	2.7
205.12166	2.3
209.11665	9.0
210.12122	5.1
223.13284	16.1
227.12737	3.7
229.19540	2.8
239.17992	10.5
256.26358	17.6
257.19031	17.0
274.72263	1.8
275.20071	100.0
283.15207	2.1
283.26328	5.7
284.15695	2.7
284.29407	5.9
284.76514	1.6
293.21109	44.8
311.29446	18.5
313.27310	1.8
314.27759	2.0
417.74121	2.0
522.38629	4.5
540.40643	12.9
540.53522	54.3
541.38647	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	540.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46699	2.0
53.03946	7.5
55.01866	6.8
55.05512	27.7
57.03426	3.1
57.07078	9.5
67.05504	39.7
69.07065	14.9
70.06072	5.9
70.06520	6.0
71.04982	4.1
71.08634	5.2
79.05495	38.8
81.03438	9.6
81.06593	3.0
81.07059	41.1
82.07366	2.7
83.04994	8.8
83.08624	25.1
85.02864	2.2
85.06572	2.1
88.07629	5.7
91.05476	31.7
92.05789	2.5
93.07044	34.9
95.04964	25.9
95.08614	21.5
96.08897	2.6
97.06528	5.9
97.10165	7.6
102.09178	3.9
105.07034	35.8
107.04971	9.2
107.08610	24.0
109.06515	5.2
109.10174	11.9
111.04377	1.9
111.08074	6.3
117.07015	11.7
119.08592	28.7
121.06496	6.6
121.10152	19.6
122.84088	2.0
123.08054	5.0
123.11734	2.3
125.09641	6.9
129.06984	6.8
131.08549	17.8
133.06595	2.4
133.10133	22.2
135.08040	5.4
135.11688	9.4
137.09633	3.9
139.11183	1.8
141.07011	4.0
143.08566	6.4
145.10127	22.7
146.10439	2.7
147.08047	2.3
147.11697	14.7
149.09642	21.5
151.11136	3.0
155.08553	5.8
157.10092	5.0
159.11725	13.1
161.09625	2.9
161.13251	5.7
163.11192	30.5
165.12711	4.1
167.10683	3.5
169.10162	4.4
170.10556	2.0
171.11696	4.2
173.13269	3.9
175.14888	2.3
177.12738	2.3
181.12251	2.4
183.11702	4.4
184.12018	2.6
185.13268	2.5
188.80513	1.8
189.11218	5.5
189.12724	2.3
197.13229	3.9
209.11667	2.9
213.16327	2.4
223.13242	26.4
227.76735	2.1
229.19440	2.3
239.17982	8.2
247.20543	3.0
256.26379	9.0
257.18958	17.9
275.20071	100.0
293.21100	45.7
311.29459	9.4
448.32697	4.1
522.36530	2.2
540.38196	25.2
540.53278	25.9
541.35065	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	540.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23888	4.5
50.84739	5.2
53.03949	10.0
55.01876	10.7
55.05519	24.4
67.05508	49.4
69.03429	22.2
69.07064	14.5
71.04992	17.5
71.49157	5.9
79.05501	29.0
79.83959	4.6
81.03426	38.9
81.07061	75.8
83.04972	17.5
83.08611	9.2
85.02919	17.4
85.06549	10.0
91.05496	30.8
93.07069	32.2
95.04969	10.3
95.08616	68.4
97.02894	13.1
97.06527	20.9
99.08098	8.1
105.07030	30.4
107.08607	10.5
109.02908	15.8
109.06540	15.2
109.10191	13.0
111.04455	5.3
117.07011	11.3
119.04962	5.9
119.08586	31.6
121.06492	6.2
121.10133	10.6
123.08121	10.0
127.03924	35.5
131.08586	9.1
133.06502	6.5
133.10170	24.0
135.08099	8.0
135.11710	8.5
137.06012	7.2
137.09619	7.4
137.13289	11.6
145.10062	7.7
147.04407	34.0
149.06134	4.7
151.07587	16.4
152.15317	4.7
161.09627	5.2
161.13272	43.1
162.55292	5.4
177.12894	6.1
179.14333	28.6
192.29190	5.0
197.15410	8.0
219.13783	5.6
226.00832	5.1
237.14865	12.9
244.12602	5.0
263.16391	8.5
280.13928	5.0
287.16531	12.8
305.17480	44.1
323.18549	100.0
341.19623	40.6
393.89194	5.7
460.13867	5.8
508.20660	8.0
540.31641	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	2.8
71.49326	2.7
79.05499	2.1
81.07048	2.4
85.02894	6.4
89.29642	1.8
91.05486	11.5
93.06985	1.4
95.04958	2.1
97.02895	1.7
99.04495	1.6
103.05457	1.8
107.04967	4.0
109.06517	1.9
116.01653	2.5
119.04943	9.1
120.08134	2.2
121.06477	3.2
122.03644	2.4
128.06210	2.3
129.07034	8.8
131.04913	3.3
131.08621	2.8
133.06418	2.1
133.79514	1.7
135.08044	2.6
137.05992	42.3
145.06456	1.8
149.06017	9.4
151.03870	2.3
151.07552	61.1
152.10654	1.5
157.06454	9.0
159.08011	3.9
161.05984	7.0
162.02245	2.1
163.07555	15.1
165.07089	2.2
165.09172	2.2
167.08522	5.2
174.06763	8.5
175.07510	1.8
177.09105	2.4
185.21928	1.6
189.09120	31.1
191.10655	2.2
193.06425	2.0
193.10129	2.0
195.08070	12.4
201.09145	3.4
207.10129	3.9
212.08368	2.4
219.10129	28.3
221.05927	3.8
221.09602	6.4
223.07539	6.7
224.08188	2.2
225.09085	3.9
227.10689	21.1
239.63065	1.6
249.09068	3.7
253.08563	5.8
253.12262	7.5
255.10188	20.8
267.10062	2.0
281.11752	5.9
285.11295	12.2
287.12772	36.6
299.12616	2.0
313.14355	34.0
331.15414	100.0
332.16016	2.1
343.15671	2.2
544.55566	1.6
545.85590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66406	1.8
56.79044	1.5
69.96086	3.3
69.96497	6.9
71.75372	1.6
85.02882	5.5
88.99049	1.9
91.05468	8.2
95.04967	3.3
103.89139	1.9
116.01743	1.8
119.04934	5.7
121.06490	3.3
129.06973	4.2
131.04942	2.7
137.05992	33.8
149.06007	3.5
151.06337	2.3
151.07555	46.8
157.06494	4.3
161.05956	4.4
163.07559	11.0
164.00050	1.9
165.07008	2.3
167.08560	2.6
168.92107	1.9
174.06873	3.1
175.07626	3.2
177.09093	5.0
189.09114	15.6
193.10214	3.0
195.08066	7.6
207.10092	3.8
221.06013	2.8
221.09668	3.5
223.07512	4.0
225.09056	2.9
227.10666	12.8
240.07745	2.1
253.08591	5.1
253.12201	6.9
255.10170	12.6
267.10175	3.0
281.11731	3.2
285.11301	10.8
287.12750	28.6
313.14331	26.2
331.15421	100.0
332.15735	3.7
343.15390	4.8
422.27911	2.3
511.00940	1.7
514.52704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28585	0.8
55.01849	0.7
69.07045	1.4
71.48151	1.1
79.05509	0.9
80.69140	0.7
83.87608	0.7
91.05481	1.6
93.07047	0.8
105.07014	1.0
119.04871	0.9
119.08621	0.8
120.08104	0.8
122.06074	0.8
132.05327	0.9
137.05991	3.3
143.08521	1.0
152.07076	1.4
156.10329	0.9
163.07579	0.8
172.03992	1.0
176.10760	0.8
194.08177	1.3
210.11610	0.9
223.12315	1.9
225.10268	2.6
235.08730	1.8
236.09459	2.5
237.10217	8.2
238.11005	2.5
239.11734	1.0
247.08463	1.1
249.10287	8.2
250.11026	4.0
251.08192	1.6
251.11810	12.1
252.12654	2.3
253.09787	18.3
253.12906	1.1
253.13466	1.2
261.10318	1.0
263.08231	1.2
263.11755	1.8
265.09726	17.8
266.10486	1.7
267.11310	5.5
277.09686	3.6
278.07620	1.1
278.10480	7.7
279.07718	3.1
279.11340	17.4
280.12006	4.3
281.12741	1.3
282.10101	0.9
283.10574	0.8
293.09250	5.8
293.12869	6.1
294.09924	2.4
294.13144	0.8
295.10840	3.3
295.14435	2.8
296.11484	1.4
297.12375	4.8
307.10788	2.0
308.11499	1.7
309.09033	1.3
309.12234	5.8
311.10233	2.2
311.13937	2.8
312.11072	12.4
324.11115	3.5
325.11871	10.2
327.13416	58.6
328.13843	2.1
334.09961	0.8
335.10370	6.1
336.11020	1.6
337.11902	4.3
339.13409	83.5
340.14011	3.4
352.10663	2.0
353.07147	1.4
353.11328	10.7
354.11792	0.9
367.12915	80.4
368.13550	8.8
384.12979	1.2
385.13962	5.8
392.18539	1.2
399.15604	10.5
452.18671	1.1
476.18155	3.3
480.21432	2.9
508.20847	100.0
509.21146	3.2
526.22241	1.0
540.23291	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	540.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42862	1.7
55.78769	1.5
57.03448	8.5
59.39350	1.7
69.03098	1.7
69.03436	24.1
70.68050	4.0
79.92422	1.5
85.02912	17.5
87.04482	18.4
91.05489	100.0
94.72802	1.5
97.02901	19.2
107.04883	2.0
115.03944	28.8
133.04979	34.5
137.05984	23.5
142.34126	1.7
145.04929	2.0
151.07541	2.0
188.02275	1.6
229.08655	4.6
279.11169	2.2
305.88098	1.5
326.50510	1.7
327.13297	6.2
339.13327	6.8
367.12997	8.7
394.77570	1.8
448.81018	1.8
508.20975	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	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
57.03443	7.1
59.41092	1.1
61.02936	2.6
65.03925	1.3
69.03442	9.0
69.23185	10.0
70.06603	1.4
71.01368	1.6
73.02928	9.2
80.53462	1.2
81.03440	1.7
84.91235	1.1
85.02908	17.1
87.04465	1.1
91.05490	100.0
93.07049	1.3
97.02906	16.8
98.21555	2.7
99.04481	1.3
107.04958	13.8
109.02905	1.8
115.03958	7.2
127.03917	4.8
133.04967	11.5
137.01071	1.2
137.05981	1.8
145.04956	7.3
154.68237	1.2
167.07104	10.1
229.08566	2.3
292.27524	1.2
317.34338	1.2
333.76416	1.4
481.72769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44466	0.8
52.83005	0.8
55.01870	2.6
57.03433	5.7
61.02923	3.7
62.34690	0.9
65.03931	1.5
68.85161	0.8
69.03432	9.8
69.03790	1.2
69.35778	1.7
69.36183	4.9
69.43762	0.8
69.95757	0.8
71.01372	1.1
73.02918	18.5
81.03398	1.2
85.02909	19.1
87.04504	1.7
91.05486	100.0
97.02900	15.9
99.04467	1.0
100.02724	0.8
105.07075	1.0
107.04955	4.1
109.02876	2.4
115.03915	8.3
119.57819	0.9
127.03925	5.6
133.04985	10.2
145.04980	8.9
149.64478	0.8
154.78699	0.8
163.06049	2.3
205.03485	0.9
223.06059	1.0
229.08672	3.3
251.11656	1.0
318.73218	0.9
327.13437	1.4
339.13458	1.3
385.14270	1.3
540.23071	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73140	7.5
53.03942	11.6
55.01868	19.3
55.05505	50.3
57.03439	20.4
57.07080	100.0
60.60912	8.3
67.05510	72.1
69.07063	31.1
71.08633	69.4
71.50523	11.0
79.05499	51.4
79.90337	7.8
81.03415	14.9
81.07061	78.6
83.04978	36.2
83.08617	30.5
85.02922	10.8
85.10174	35.5
91.05476	31.4
93.07069	52.2
95.04971	9.9
95.08628	57.0
97.02836	8.3
97.06566	12.3
97.10162	14.2
105.07016	23.6
106.93080	7.5
107.04945	20.7
107.08601	28.1
109.10162	37.6
111.04449	32.2
111.08109	11.5
117.07066	10.6
119.08596	15.9
121.10160	22.3
123.11738	15.0
127.86053	7.9
131.08542	15.9
135.11678	23.2
145.10155	25.2
153.12627	9.7
163.11174	49.3
181.12218	30.7
191.10716	26.6
199.13245	10.4
209.11705	45.5
227.12704	39.2
239.23676	9.9
247.13051	18.0
254.20061	8.9
283.15417	63.4
313.27338	88.1
315.19534	10.7
327.88135	9.2
448.64563	8.9
521.38379	39.5
539.31970	67.4
539.40588	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.8
53.69649	4.6
55.01871	11.1
55.05513	39.9
57.03428	15.3
57.07082	51.2
65.18706	4.9
67.05511	58.1
69.03413	8.0
69.07076	29.3
71.05002	6.4
71.08633	30.6
71.49349	7.0
73.02931	6.1
79.05499	44.1
81.03412	8.3
81.07066	55.2
83.04977	17.1
83.08628	27.8
85.10185	20.0
88.73158	5.3
89.06010	6.9
91.05492	34.1
93.07067	52.7
94.86541	4.7
95.04983	12.7
95.08619	63.9
97.06504	6.0
97.10162	12.0
105.07054	26.5
107.04969	12.3
107.08585	29.2
109.02918	6.0
109.10163	23.0
111.04462	11.5
114.06552	4.4
117.07031	18.8
119.08579	22.5
121.10154	13.9
123.11701	8.7
129.07025	13.1
131.08577	13.0
133.10126	7.0
135.08081	5.5
135.11754	32.5
143.08557	16.1
145.10097	30.5
147.11673	8.6
155.08553	17.1
157.10103	11.3
163.11198	47.6
167.08493	4.9
169.10147	14.3
171.11632	7.6
179.98752	5.3
181.10085	12.1
181.12267	8.2
183.11696	9.5
185.13193	5.7
191.10675	8.5
195.11719	10.5
197.13191	9.7
209.11722	11.9
223.14835	7.7
227.12798	80.1
239.23651	14.9
283.15421	32.6
313.27347	66.4
447.32666	11.6
521.38239	43.4
539.37891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82051	1.7
53.03939	5.7
55.01871	27.4
55.05270	3.0
55.05514	35.2
55.46009	1.4
57.03437	11.3
57.07077	77.9
58.96111	2.2
59.04990	1.8
65.03947	2.9
67.05505	53.4
69.03434	10.4
69.07072	23.9
69.30338	10.2
69.30769	4.5
69.51897	1.6
71.04993	5.0
71.08633	42.4
73.02917	4.4
79.05494	35.6
81.03425	9.0
81.03819	1.4
81.07058	62.7
82.04199	5.9
82.61164	1.9
83.04979	20.9
83.08617	27.0
85.02928	4.1
85.06541	5.0
85.10184	20.9
87.04456	1.4
89.06069	2.9
91.05475	29.1
91.59277	1.6
93.07041	27.6
93.07576	2.7
95.04982	16.8
95.08609	49.4
97.02890	10.1
97.06527	10.4
97.10175	13.6
98.07318	7.2
98.20781	3.6
99.04467	3.6
99.11763	2.0
105.05459	1.4
105.07018	15.3
107.04971	9.2
107.08575	15.7
108.50594	1.5
109.06548	3.1
109.10151	24.4
111.04451	25.6
111.08104	6.2
111.11726	2.4
117.07035	6.8
119.08587	11.1
119.09352	1.9
121.06508	2.4
121.10167	10.8
123.08081	5.7
123.11729	8.3
125.09641	6.8
125.13239	2.5
127.11200	6.1
129.07025	4.8
131.08604	7.8
133.06543	2.0
133.10175	6.9
135.08099	4.7
135.11714	10.0
137.06007	1.8
137.09674	2.5
137.13232	4.1
139.11133	1.7
145.10135	12.2
147.08041	2.0
147.11748	4.3
149.06107	1.7
149.09660	4.5
151.11206	2.1
153.12794	2.0
155.08592	1.8
157.10173	4.3
158.05806	5.8
163.11162	9.5
169.10239	2.0
171.06516	11.2
173.09720	2.2
175.11227	2.6
181.12277	6.3
185.08069	2.6
190.10086	1.7
191.10678	3.8
195.46603	1.8
199.09691	2.9
209.11728	100.0
221.22850	2.1
227.12785	24.9
228.13361	1.6
239.23721	11.4
245.13916	3.0
255.15927	9.3
265.14389	2.3
275.20215	3.2
283.15424	36.4
287.20239	3.2
288.20648	2.0
297.20560	2.4
311.22079	7.6
313.27328	27.0
341.26837	2.7
367.28497	20.3
381.30273	5.4
395.31650	11.8
409.33365	3.2
423.34985	3.6
437.36581	2.3
438.37207	8.0
456.27805	2.0
493.39056	2.4
521.38354	15.9
539.39398	87.4
540.39978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01872	1.6
67.05501	2.6
69.57779	10.4
78.04720	1.6
79.05509	8.3
81.07079	3.5
85.02923	1.5
91.05482	9.3
93.07045	4.1
94.04220	2.2
95.04961	3.7
95.08627	2.0
95.56830	1.6
103.05481	17.1
105.07055	3.2
107.04958	11.5
107.08601	1.9
109.01353	1.6
109.06565	2.6
109.10133	1.5
115.05486	2.3
117.07012	2.8
119.04940	3.7
119.08553	1.3
121.06501	5.6
122.03654	5.7
123.04442	5.8
123.08091	3.8
129.07050	2.2
131.04938	34.1
133.02853	1.8
133.06454	1.8
133.10120	1.5
135.04404	2.1
137.05997	62.3
143.04941	2.2
145.06415	2.3
147.04292	1.8
147.08076	2.8
149.06030	3.1
151.03946	6.0
151.07562	27.6
153.05502	8.3
159.08061	2.1
161.06021	8.5
163.03931	3.7
163.07565	100.0
165.05525	2.6
165.06960	1.7
167.07059	44.2
175.07582	7.0
177.09193	4.6
179.07036	3.3
181.04948	1.8
181.08640	4.4
187.07593	3.5
189.06906	1.5
189.09145	5.4
191.07042	2.1
193.08658	2.0
195.08487	2.8
195.10193	14.5
205.06689	2.2
205.08620	1.8
207.10110	3.4
218.07376	3.3
219.08058	4.8
221.05948	2.0
222.06613	1.9
224.96750	1.5
231.08054	2.3
233.06102	2.2
235.07561	3.2
246.06836	2.0
247.07559	6.3
248.08350	5.3
249.09157	2.0
250.06303	1.7
251.07071	1.5
252.07782	2.2
255.10178	1.6
261.09256	2.5
262.10519	1.7
263.07092	3.2
263.10764	2.4
264.07892	4.3
265.08536	4.3
267.10263	2.3
269.07977	1.8
274.09763	3.7
275.07150	1.8
277.08649	4.4
278.09308	3.4
279.10150	5.9
280.07169	1.6
281.08011	2.0
283.09662	1.4
290.09390	1.7
291.10126	4.2
293.08105	5.0
294.08838	1.7
295.09738	3.9
297.11139	2.0
301.10876	3.0
302.09354	2.3
305.11850	2.0
306.08841	2.0
307.09668	10.8
307.12949	2.4
308.10431	3.1
308.73416	1.5
309.11157	4.0
311.08932	1.7
311.12936	3.3
313.10773	2.7
315.12326	2.2
317.11746	6.4
321.11154	4.5
323.12869	2.7
324.10175	1.6
327.12256	5.0
329.13895	1.7
334.12012	2.3
335.12793	4.1
337.07095	1.6
337.14627	2.9
339.12332	17.0
339.16006	2.7
347.11383	1.7
347.14987	19.0
349.14307	5.0
355.15506	2.1
357.16989	1.7
367.15518	18.2
385.16498	1.9
397.16473	1.6
489.18411	1.6
493.18881	2.0
498.68738	1.6
521.21777	16.0
539.21454	2.9
552.74152	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.176
Annotation	Alboside IV
Peak:m/z	Relative Intensity
69.03412	6.9
70.20684	22.4
79.05462	5.7
81.07061	6.6
89.03917	8.6
91.05472	11.4
103.05485	8.7
104.72449	5.8
111.08080	11.5
117.03412	7.7
127.03910	39.8
133.06488	6.0
135.04434	14.6
137.05977	33.2
145.02838	13.5
151.07539	9.8
163.03915	100.0
163.07568	9.4
167.06990	10.7
175.07603	14.5
179.07022	16.0
197.08086	53.0
368.52533	6.6
482.30307	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	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66584	1.6
53.03939	6.9
55.01870	2.1
55.05507	19.1
56.74791	1.6
57.03438	9.8
57.06798	1.9
57.07079	35.7
60.76279	1.8
65.03941	4.4
67.05505	43.4
69.03382	3.0
69.07063	13.9
71.05003	2.6
71.08636	27.9
71.49294	1.6
74.09702	1.6
79.05501	48.9
79.05971	2.9
81.03411	7.1
81.07059	42.8
83.04979	7.9
83.08622	14.9
85.06530	3.1
85.10194	14.4
88.90954	2.0
91.05482	45.8
93.07046	51.5
95.04975	13.4
95.08619	31.1
97.06508	2.6
97.10162	6.9
105.07030	29.8
107.04955	4.2
107.08591	10.3
109.06535	2.7
109.09471	1.6
109.10175	8.1
117.07041	7.4
119.08582	17.5
121.10131	3.2
123.08079	4.1
123.11712	4.3
123.99119	1.7
127.07581	2.0
128.06210	2.7
129.07030	16.2
131.08621	2.9
133.10150	9.3
143.08575	7.8
145.10121	5.0
147.07976	2.2
147.11673	28.6
151.44528	1.7
161.09613	4.6
161.13240	8.7
171.11707	25.2
189.12741	9.2
207.13803	31.9
239.23666	2.2
281.14691	3.5
281.17502	43.8
281.29541	30.4
282.27924	100.0
299.30521	25.9
310.82486	2.0
313.27393	58.0
382.20779	1.7
440.57156	2.0
519.40479	72.0
537.53571	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	537.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.9
55.05512	25.9
57.03437	14.2
57.07082	46.9
60.01977	1.8
65.03921	3.6
67.05508	64.1
69.07072	21.9
69.83691	4.3
69.84093	6.4
71.04978	4.4
71.08633	29.1
73.06554	2.4
77.03920	2.0
79.05495	72.5
81.03413	8.5
81.07060	60.7
83.04982	12.3
83.08623	20.1
85.06550	3.3
85.10190	15.4
89.06045	1.8
91.05483	63.3
93.07049	72.2
93.07648	4.0
95.04979	19.2
95.08614	43.7
97.06529	4.8
97.10156	7.2
99.08121	1.9
105.04502	3.0
105.07037	41.8
107.04953	5.2
107.08598	16.3
109.06503	5.0
109.10152	11.8
115.05421	3.9
117.07024	9.0
119.08586	21.7
121.06546	3.4
121.10152	5.0
123.08075	6.5
123.11703	4.2
129.07013	17.4
131.08604	2.8
133.10136	11.1
135.11745	4.7
137.13216	2.7
143.08580	8.1
145.10146	15.5
147.08083	3.4
147.11697	43.2
159.11736	3.0
161.09618	5.6
161.13261	15.9
164.25818	1.7
171.11707	33.4
189.12744	15.0
190.73753	2.0
207.13808	35.2
217.41556	1.9
225.14871	3.2
239.23698	5.5
242.53813	1.7
258.49570	1.7
281.17484	63.3
282.27664	1.9
300.06348	2.2
313.23645	2.4
313.27380	81.8
519.40497	100.0
520.40826	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	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01876	3.9
55.05516	21.0
55.55692	2.3
57.03451	12.4
57.07083	37.4
63.53982	3.1
65.03941	3.9
67.05183	3.7
67.05513	54.0
69.07079	15.1
69.24380	5.3
69.24789	17.7
71.04989	3.5
71.08640	25.8
79.05500	61.5
81.03414	9.1
81.07061	53.3
82.92584	2.6
83.04990	15.5
83.08633	16.1
85.10190	13.8
91.05490	51.7
91.34041	2.3
93.06493	4.4
93.07055	63.2
95.04974	15.0
95.08612	46.5
95.15997	2.5
97.06529	5.1
97.10178	6.5
105.04526	2.8
105.07040	40.7
107.04967	6.0
107.08611	18.8
109.06519	7.4
109.10143	11.4
109.30166	2.8
111.08032	2.8
111.56284	2.5
112.01420	2.4
117.07014	8.9
117.57655	2.6
119.08591	19.6
121.06488	3.6
121.10162	4.6
123.08067	4.5
123.11749	3.7
129.07010	14.7
130.01756	2.4
131.08606	3.8
133.10136	8.4
143.08575	7.5
145.10161	7.5
147.11694	35.0
159.11615	2.8
161.09703	4.8
161.13266	13.0
162.97604	2.4
163.84319	2.9
171.11710	26.8
189.12726	15.1
207.13812	33.5
239.23753	3.4
281.17474	57.3
290.45602	2.9
313.27383	80.8
335.59064	3.1
519.40515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94269	3.3
53.03942	5.2
55.01886	7.1
55.05511	30.6
62.90181	3.3
63.36116	3.5
65.03935	3.8
67.05502	38.5
69.03433	5.5
69.07066	13.7
71.04994	3.8
71.49918	5.4
79.05494	38.8
81.03440	9.0
81.07063	37.2
83.04970	12.6
83.08626	23.6
91.05471	33.7
93.07049	29.6
95.04977	53.3
95.08603	22.6
97.06526	5.6
97.10165	9.7
98.21255	3.2
104.83037	2.9
105.07043	30.6
107.04949	13.7
107.08595	22.9
109.06517	8.5
109.10191	12.5
111.08083	4.5
112.63284	2.7
115.05432	3.5
117.07041	11.9
119.08575	33.2
121.06478	7.8
121.10141	19.2
123.08092	8.0
123.11693	4.3
125.09651	5.8
129.07010	5.9
131.08556	14.1
133.06447	3.4
133.10121	24.0
135.08066	6.5
135.11702	8.3
136.36839	3.4
137.05934	3.8
137.09610	3.7
143.08559	5.0
145.10112	22.7
147.11711	10.7
149.09653	18.5
155.08600	6.0
157.10132	7.6
159.11739	9.6
163.11205	23.1
165.12848	3.8
169.10124	6.7
173.09656	6.6
173.13272	5.6
183.11632	5.4
189.11211	5.6
191.10637	5.0
197.13164	4.0
209.11789	6.8
223.13301	20.8
227.12811	10.0
239.18002	8.3
257.18985	15.0
275.20074	100.0
293.21127	32.9
401.79599	4.0
471.29477	2.9
537.29553	5.5
554.66956	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	537.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.0
65.51297	1.1
69.03419	1.2
69.77782	5.6
79.05505	1.6
81.03407	3.7
85.02885	1.5
89.03921	6.0
91.05495	2.2
93.07059	1.1
95.04964	2.3
103.05480	6.9
107.04945	4.5
109.02862	2.3
117.03403	8.1
129.16170	0.9
131.04947	11.1
135.04433	12.6
137.06010	6.8
145.02859	12.4
147.04434	1.3
151.03908	3.1
163.03926	100.0
163.07541	3.3
175.07559	1.3
177.05531	1.1
181.04994	3.6
195.06616	1.2
201.01114	1.0
203.64099	1.0
277.08704	1.3
285.04269	1.1
291.76492	1.1
306.84122	1.0
307.08167	4.4
309.11267	1.5
325.09119	3.4
331.51999	1.0
335.54391	1.2
339.12167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83390	0.2
53.54760	0.2
55.05507	0.3
56.05025	0.5
58.06606	0.6
60.08165	6.1
60.22814	0.3
67.05484	0.9
69.16110	0.3
69.16446	2.7
71.07372	3.1
73.04759	0.4
79.05490	0.6
81.07052	0.6
86.09708	30.1
91.05450	0.4
95.08608	0.8
98.20667	0.3
98.98473	3.3
104.10741	3.4
109.10141	0.2
121.10094	0.2
125.00006	21.8
142.03215	0.4
155.18536	0.3
173.68498	0.3
184.07341	100.0
185.07709	0.5
273.32846	0.3
275.19974	0.3
299.06149	0.9
412.70038	0.3
500.31409	0.7
518.32391	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	536.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01870	5.8
55.05511	36.1
57.07058	2.6
67.05503	39.1
69.07067	18.0
70.85314	6.2
71.04971	2.6
73.04752	2.7
79.05494	32.7
81.03396	12.0
81.07058	36.2
83.04971	7.3
83.08622	31.1
85.02892	2.7
86.09677	3.4
91.05465	27.0
93.07046	40.0
95.04966	46.3
95.08603	33.0
97.06522	7.4
97.10147	7.5
99.04456	3.1
102.28942	2.1
105.07032	27.4
107.04954	20.1
107.08595	32.3
109.06522	6.2
109.10159	6.5
111.08067	7.4
117.07022	14.2
119.08585	21.4
121.06508	6.1
121.10146	20.8
123.08067	4.1
125.09624	7.9
129.06990	3.6
131.08549	15.3
133.10121	19.8
135.08070	5.5
135.11705	24.9
137.09610	3.2
145.06563	3.0
145.10120	33.1
147.08014	2.9
147.11703	7.9
149.09612	22.3
155.08531	4.5
159.11691	11.9
161.09526	2.7
161.13199	2.6
163.11177	52.6
163.12560	3.1
165.12741	5.7
167.05482	4.3
171.11668	3.9
173.09602	6.8
175.11159	2.5
177.12808	3.1
181.12276	7.7
181.86615	2.1
184.07314	8.9
189.11168	5.6
189.12694	3.7
191.10686	2.4
191.14305	3.7
205.12419	3.5
219.17346	2.7
223.13287	32.2
227.12778	90.1
229.19458	4.0
239.17929	8.1
247.20578	3.0
257.19052	13.5
275.20065	100.0
293.21106	94.3
294.21432	3.3
299.06207	7.1
308.68616	2.3
423.63797	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12431	1.2
53.03942	1.6
55.01865	2.3
55.05521	5.4
55.76902	1.2
57.03429	4.5
61.02933	6.7
62.37614	1.2
66.41908	1.1
67.05509	4.0
69.03432	12.4
69.07074	6.7
70.40401	1.0
71.04984	2.8
71.49227	1.4
73.02907	2.6
79.05505	6.0
81.03419	6.7
81.07059	15.8
83.05012	1.5
83.08626	5.9
85.02908	74.5
87.04451	1.5
91.03972	2.7
91.05482	5.1
93.07047	13.1
95.04967	2.0
95.08615	26.8
97.02896	20.6
97.10184	3.3
98.21564	1.1
99.04462	4.4
99.08101	5.2
105.07034	5.4
105.18980	1.1
107.08598	24.2
109.02881	7.6
109.10157	7.4
111.08085	1.6
113.09658	2.4
119.08580	6.0
121.09378	1.4
121.10145	38.9
123.04499	1.5
123.11694	1.2
126.46519	1.2
127.03923	18.8
129.07094	1.2
131.04994	1.8
131.08571	3.5
133.10132	3.7
135.11697	7.2
137.05988	2.8
137.13257	2.7
143.08618	1.4
145.04973	33.5
145.10124	4.5
147.11679	1.6
149.09573	1.1
149.13257	3.9
151.04002	1.3
157.10152	2.8
159.08072	1.5
159.11702	4.0
161.13248	1.7
163.06032	10.7
163.14870	2.1
167.05641	1.5
167.06998	2.2
169.10146	1.4
171.11639	1.8
173.13277	3.6
175.14841	2.0
177.16389	100.0
195.17441	5.5
199.14764	1.8
201.16426	2.2
203.14381	2.1
209.13239	1.4
211.77750	1.1
213.16479	1.4
215.14270	1.3
217.15936	1.5
219.17455	1.7
243.17451	5.1
267.17422	2.4
285.18506	5.0
299.06161	3.7
303.19449	4.6
321.20602	3.4
325.11252	1.5
339.21796	1.1
498.29489	1.4
536.20679	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	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01859	2.2
57.03440	4.6
60.04583	0.7
61.02930	5.8
64.39672	0.6
67.05493	0.9
68.63562	0.7
69.03092	0.9
69.03435	12.9
69.70081	3.7
71.04986	1.5
72.49404	0.7
73.02907	2.9
79.05486	2.9
81.03422	6.1
85.02907	64.4
86.09693	1.1
87.04453	1.3
91.03964	4.6
91.05447	2.1
95.04965	0.9
97.02893	22.1
98.06039	1.0
99.04455	3.1
103.05447	2.5
105.07040	4.3
107.04960	43.1
107.08604	1.4
109.02866	7.0
115.03944	0.9
115.05488	3.0
117.06987	1.3
120.05727	0.9
120.08092	1.1
126.05472	0.8
127.03927	15.2
135.08052	14.9
137.05933	1.8
144.06552	2.7
145.04962	26.2
145.07527	1.4
162.07634	1.2
163.06053	8.8
163.07521	48.1
167.07010	5.4
180.07790	2.5
195.10176	100.0
207.10109	1.1
276.24768	0.7
299.06262	1.2
324.13046	1.4
477.92395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4148
Annotation	Toxicol B
Peak:m/z	Relative Intensity
53.03948	2.0
55.01865	2.0
55.05270	1.1
55.05513	15.1
57.03434	2.1
57.07063	2.3
58.39629	0.8
59.04984	1.0
65.03944	1.3
67.05507	30.1
69.07067	12.5
71.04984	2.0
71.33833	1.9
75.78241	0.8
79.05495	12.4
81.06599	1.7
81.07060	27.3
83.05000	1.7
83.08625	7.2
85.06521	2.1
91.05476	9.7
93.07041	13.2
95.04987	2.1
95.08607	22.2
97.06508	1.9
97.10172	6.4
105.07027	8.7
107.08607	10.2
109.06503	1.2
109.10160	13.1
111.08070	1.4
115.05428	1.9
117.07034	6.1
119.08590	10.0
121.10139	6.7
123.08080	1.1
123.11683	3.3
125.09631	1.7
128.06232	2.1
129.07011	8.4
130.07808	0.8
131.08588	10.8
133.10117	6.3
135.11713	3.4
137.13240	1.9
141.06981	8.4
142.07767	3.5
143.08553	12.9
143.09578	1.4
145.10121	10.7
147.11699	4.5
149.13290	1.7
153.07021	3.7
154.07753	2.8
155.08562	21.2
156.09306	1.9
157.10133	14.1
159.11687	9.1
161.13341	2.1
163.11169	1.0
165.07050	3.2
166.07823	1.5
167.07251	1.3
167.08580	11.3
168.09386	3.8
169.10130	28.8
170.10870	1.2
171.11690	12.3
173.13228	4.4
178.07706	1.0
179.08595	5.7
180.09343	2.1
181.10132	16.4
182.10924	3.3
183.11703	28.9
185.13271	9.9
187.14803	2.4
191.08583	1.2
193.10089	5.8
194.10947	1.9
195.11693	18.0
195.38910	0.9
196.12413	2.2
197.13257	22.6
199.14766	4.2
205.10197	1.2
206.10892	1.1
207.11627	5.8
208.12460	1.5
209.13268	16.2
210.14038	1.6
211.14819	11.9
213.16504	2.8
219.11806	1.7
221.13246	5.9
223.14804	11.3
225.16394	12.5
227.18004	1.5
233.13252	1.9
235.14818	3.2
237.16388	9.5
239.17940	6.7
247.14864	2.2
249.16444	3.6
251.17892	5.1
251.20197	0.9
253.19547	3.5
255.21144	1.3
261.16406	2.0
263.17996	3.0
265.19540	4.6
267.21118	3.6
275.20200	1.0
277.19550	2.4
279.21136	2.2
281.22726	1.5
283.16974	1.1
283.20947	0.9
291.21048	1.6
293.19031	1.2
293.22653	1.3
295.24017	1.1
297.18588	1.1
297.22089	1.0
299.06192	1.0
303.21045	1.2
305.22400	1.7
307.20554	1.8
307.24066	0.9
309.22223	1.4
311.20123	1.4
321.22134	6.0
323.23639	2.7
335.23590	4.8
337.25388	2.0
339.23132	3.8
349.25357	3.6
351.26895	2.2
353.24893	1.4
363.26913	3.9
365.24228	1.0
365.28397	3.5
367.26337	2.3
375.26730	1.1
377.28549	2.7
379.30148	1.4
381.28067	2.0
391.30026	2.8
393.31772	1.3
395.29651	1.6
401.28268	1.1
405.31827	1.8
407.33600	1.1
409.31198	4.1
417.32004	1.1
423.32697	2.5
429.31598	2.5
433.31055	1.2
437.34393	1.9
447.32529	8.8
461.34335	1.8
475.35980	1.6
493.36801	1.2
499.39499	8.6
517.40460	73.1
518.40814	1.6
535.41504	100.0
536.41791	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	535.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26685	1.1
52.65951	0.9
52.95377	1.0
53.00312	1.2
53.03960	5.3
55.01870	2.9
55.05514	24.8
57.03445	5.0
57.07079	45.6
65.03949	3.5
67.05135	1.4
67.05508	46.8
69.03431	3.4
69.07072	20.4
71.04994	3.0
71.08636	33.2
79.05497	29.6
81.03426	13.4
81.07059	50.1
83.04991	6.2
83.08620	22.4
85.02913	1.7
85.06536	2.2
85.10183	18.4
91.05482	21.1
93.07044	22.5
95.04964	25.3
95.08609	37.1
97.02873	1.3
97.06537	3.9
97.10178	13.4
99.00812	1.5
99.08113	1.2
99.11769	1.3
103.05473	1.3
105.04521	1.4
105.07034	12.5
107.04960	19.2
107.05647	1.7
107.08594	11.2
109.02949	1.5
109.06552	3.9
109.10151	18.0
111.04472	1.5
111.08106	2.8
111.11759	2.4
115.05493	1.8
117.07013	9.6
119.08577	5.6
121.06493	7.6
121.10162	3.7
123.04467	1.6
123.08086	1.9
123.11740	6.9
125.06042	1.3
125.09643	2.4
129.07065	2.2
130.27089	1.0
131.08575	6.8
133.10149	8.1
135.08086	2.9
135.11700	1.9
137.13293	2.6
141.07050	2.0
143.08618	3.0
144.09261	1.4
145.10143	5.4
147.08171	1.2
149.09601	1.6
149.13272	3.2
151.11197	1.0
153.09204	1.2
159.11690	8.0
161.09622	2.4
169.10139	2.1
177.12775	5.1
179.10756	1.4
187.11168	4.7
189.11253	1.9
205.12206	11.4
221.22650	1.3
223.13292	76.7
225.11244	2.4
239.23705	8.1
243.12201	1.2
279.15863	7.8
293.38580	1.1
297.17123	1.2
313.27347	7.7
468.18735	1.0
517.38849	3.0
535.40082	100.0
536.40332	2.6
556.42883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01874	1.9
55.05515	1.7
61.02930	2.4
61.61020	1.4
65.03922	1.5
69.03434	10.2
69.90331	3.8
69.90749	4.2
73.74980	1.4
79.05523	2.4
81.03411	6.7
85.02913	12.3
91.05478	4.7
93.07029	2.2
95.04973	11.2
97.02889	11.0
103.05501	3.0
105.07016	2.8
106.04156	2.1
107.04977	6.5
109.02864	5.0
117.07052	2.3
121.06509	2.9
123.04421	3.5
125.02352	45.3
127.03910	6.9
130.06531	3.1
131.04959	2.9
132.96164	1.5
133.06471	1.6
135.04395	3.3
137.05983	6.2
143.07301	5.4
144.08090	100.0
145.04979	2.3
147.04378	1.4
147.07643	2.7
149.05984	3.8
151.03909	33.0
151.07545	2.4
153.05501	1.8
154.06467	1.8
156.08072	5.0
157.08864	6.1
158.09636	6.4
159.09167	2.7
160.07532	3.5
161.07957	2.4
163.03886	5.6
167.07234	5.3
168.08072	5.1
170.09630	28.8
171.33414	1.5
175.03848	1.5
177.05486	6.0
179.07063	1.4
179.96675	1.5
180.08075	5.2
181.08841	19.1
182.09758	2.1
187.12309	18.7
194.09599	6.7
195.06726	7.3
195.10423	2.5
196.11244	4.5
197.08110	4.9
204.08043	2.1
206.09760	3.5
208.07574	5.9
209.08168	7.1
210.11159	3.2
222.09152	6.0
223.09927	3.4
224.10690	3.8
232.11369	1.9
236.07010	2.1
238.08643	3.9
249.10387	3.3
250.08557	4.7
251.09453	9.3
267.11319	5.7
268.09882	2.0
269.10416	3.7
294.14871	3.0
308.12784	3.5
311.17511	2.1
320.12762	16.8
337.15421	8.9
338.13840	25.3
355.16379	6.5
359.26755	1.4
394.99036	1.6
488.18835	2.2
500.19199	74.5
501.19635	2.7
510.54242	1.5
517.21869	44.9
535.21375	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	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.9
57.03437	7.5
57.07064	8.9
65.03958	4.9
67.05508	78.8
69.07063	26.5
71.08604	6.8
71.49289	7.3
79.05502	32.1
81.07056	100.0
83.08607	19.8
84.23265	5.1
86.09691	19.9
91.05472	17.8
93.07037	22.4
95.08607	79.3
97.06564	6.1
97.10166	12.2
99.08064	5.9
104.10737	43.5
105.07018	20.6
107.08597	21.9
109.10178	33.4
119.08605	18.4
121.10140	17.4
123.11678	12.4
125.00007	12.2
133.10136	16.4
135.11653	10.0
136.79503	5.6
137.13187	6.0
147.11714	12.2
161.13232	12.6
163.14812	10.9
165.16449	6.9
175.14841	9.8
179.17969	8.6
184.07339	32.0
203.02080	5.8
245.22668	48.4
263.23703	55.2
337.27338	54.3
355.28397	9.8
534.37079	7.7
556.57648	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	534.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01871	5.2
55.05507	7.5
57.03432	12.2
57.07063	5.1
58.27373	1.8
59.04998	2.9
61.02927	5.5
67.05512	21.0
69.03425	21.5
69.07069	21.4
69.29278	2.1
69.30202	3.9
69.30619	14.2
71.01332	2.1
71.04993	2.4
71.08614	2.1
73.02915	28.5
79.05482	15.8
81.03412	4.5
81.07059	100.0
83.08611	4.4
85.02907	52.2
86.09712	2.4
87.04445	3.7
91.05487	9.3
92.60165	1.8
93.07048	48.1
95.04969	3.3
95.08612	52.4
97.02898	38.3
97.10175	4.6
105.07028	5.9
107.08601	29.1
109.02856	5.1
109.10162	33.5
111.11759	3.3
115.03907	17.2
119.08589	2.4
121.10145	94.7
123.11710	15.3
127.03928	17.2
133.04993	25.9
135.11699	21.6
137.13272	4.4
145.04973	28.1
145.10167	1.7
149.13257	39.5
162.07617	1.8
163.06032	14.9
163.14835	4.2
184.07204	2.1
205.19514	18.5
217.07118	3.1
223.06053	4.6
241.07089	7.5
259.08203	9.3
262.70120	1.7
263.18399	2.1
277.09125	2.1
280.98468	1.7
295.10342	4.6
322.11423	1.9
383.82083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01871	5.2
55.05507	7.5
57.03432	12.2
57.07063	5.1
58.27373	1.8
59.04998	2.9
61.02927	5.5
67.05512	21.0
69.03425	21.5
69.07069	21.4
69.29278	2.1
69.30202	3.9
69.30619	14.2
71.01332	2.1
71.04993	2.4
71.08614	2.1
73.02915	28.5
79.05482	15.8
81.03412	4.5
81.07059	100.0
83.08611	4.4
85.02907	52.2
86.09712	2.4
87.04445	3.7
91.05487	9.3
92.60165	1.8
93.07048	48.1
95.04969	3.3
95.08612	52.4
97.02898	38.3
97.10175	4.6
105.07028	5.9
107.08601	29.1
109.02856	5.1
109.10162	33.5
111.11759	3.3
115.03907	17.2
119.08589	2.4
121.10145	94.7
123.11710	15.3
127.03928	17.2
133.04993	25.9
135.11699	21.6
137.13272	4.4
145.04973	28.1
145.10167	1.7
149.13257	39.5
162.07617	1.8
163.06032	14.9
163.14835	4.2
184.07204	2.1
205.19514	18.5
217.07118	3.1
223.06053	4.6
241.07089	7.5
259.08203	9.3
262.70120	1.7
263.18399	2.1
277.09125	2.1
280.98468	1.7
295.10342	4.6
322.11423	1.9
383.82083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46178	0.6
55.05516	1.4
56.05032	0.8
57.03427	0.8
58.06594	1.6
60.08165	18.7
61.03325	0.6
64.44423	0.6
67.05506	3.4
69.03445	0.8
69.07073	2.5
71.07378	8.1
71.49174	1.0
79.05476	2.4
81.03421	0.8
81.07052	4.2
83.08657	1.4
85.02930	1.2
86.09708	49.9
91.05479	2.8
93.07060	3.3
95.04945	1.0
95.08611	3.5
98.98463	3.8
104.10743	100.0
105.07035	2.6
107.08611	2.3
109.10157	2.3
117.07019	1.0
119.08614	1.5
121.10136	1.3
123.11709	1.6
125.00004	28.3
127.03947	0.8
130.08702	0.7
133.10130	1.7
135.11722	1.1
147.11684	2.0
161.13269	1.8
163.03859	0.9
169.17085	0.7
184.07344	95.4
185.07648	1.1
258.11050	1.2
319.26251	3.1
337.27423	3.3
355.28534	4.5
380.08377	0.7
440.56506	0.7
498.29840	5.3
516.30884	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28719	0.2
55.05519	0.3
56.05027	0.4
58.06607	0.4
60.08169	6.9
67.05507	0.5
70.86456	0.2
71.07382	3.2
71.34497	0.3
79.05502	0.5
81.07039	0.3
86.09710	31.5
91.05479	0.3
92.57367	0.2
93.07043	0.5
95.08605	0.4
98.98466	3.2
104.10752	3.7
107.08592	0.3
109.50992	0.2
122.68974	0.2
125.00010	23.2
143.96564	0.2
153.59117	0.2
173.41934	0.2
184.07349	100.0
185.07567	0.3
203.18419	0.2
205.02048	0.2
280.10638	0.2
290.61288	0.2
498.29865	0.6
516.30908	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	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05047	0.6
58.06617	0.5
60.08170	7.1
67.05504	0.9
70.06611	0.3
71.07388	3.3
71.49535	0.2
79.05506	0.6
81.03400	0.4
81.07070	1.2
85.02942	0.3
86.09716	35.0
91.05460	0.4
93.07040	0.7
95.08637	0.6
98.98490	3.5
104.10757	7.9
107.08607	0.4
109.10198	0.3
119.08672	0.3
121.10133	0.7
125.00018	23.7
149.13319	0.3
184.07362	100.0
185.07829	0.4
245.84950	0.2
258.11157	0.5
327.77264	0.2
384.32153	0.2
516.30835	1.3
534.32257	6.5
535.31793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01878	10.2
55.05517	28.6
57.03434	2.0
59.84020	1.5
64.23040	1.4
65.03926	2.4
67.05183	2.4
67.05508	33.4
69.03425	4.3
69.07072	10.2
69.84463	7.1
71.04996	3.0
79.05495	46.1
81.03408	5.4
81.07059	63.7
83.04995	9.0
83.08622	13.8
85.02896	4.2
85.06549	4.1
91.05482	37.7
92.05820	1.8
93.06488	3.1
93.07043	41.0
95.04981	15.4
95.08611	15.0
97.06544	4.4
97.10178	19.1
97.35796	1.5
98.20860	3.4
98.21420	2.5
99.08170	1.7
105.07032	26.1
107.04940	6.0
107.08596	17.2
109.06552	9.1
109.10168	8.0
111.04449	11.6
111.08084	4.4
117.07008	11.5
119.08591	25.3
121.06499	9.2
121.10123	8.1
123.08066	13.0
125.09644	14.3
128.06236	2.8
129.07004	12.9
131.08563	11.7
133.06512	2.0
133.10126	9.8
135.08038	4.9
135.11682	5.4
137.09615	3.5
143.08601	10.5
145.10103	16.1
147.08044	10.3
147.11700	14.1
148.22266	1.4
149.09636	4.0
153.09096	5.8
153.12794	3.2
157.10121	3.6
159.08138	2.3
159.11705	3.8
161.09637	6.8
161.13286	5.4
163.11189	7.9
165.09108	5.8
169.10121	2.5
171.11697	14.9
173.09587	3.7
175.11249	2.8
181.12234	5.6
183.11635	2.3
189.11221	12.9
189.12794	7.4
191.10635	5.8
207.13841	16.7
213.12836	1.5
223.13150	7.8
227.12831	6.6
227.17825	2.2
237.16272	1.7
237.18472	1.6
245.19113	1.8
249.14891	2.5
255.17500	3.7
273.18475	26.2
287.21664	1.7
291.19553	100.0
309.20538	4.3
355.04355	1.8
533.37146	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	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67161	0.7
53.03956	4.6
55.01866	4.1
55.05514	2.1
57.03436	7.5
60.34100	0.7
61.02931	10.7
67.05504	2.3
69.03431	27.6
69.07072	8.1
70.61285	2.5
71.04989	4.3
73.02931	4.9
79.05515	2.9
81.03417	13.9
81.07069	2.8
83.04964	1.1
83.08632	1.3
85.02908	100.0
87.04476	3.8
91.03976	4.8
91.05489	4.0
93.07052	2.6
95.04973	6.9
95.08597	4.5
97.02900	32.4
97.06544	4.3
99.04460	6.7
103.64856	0.7
105.07027	4.4
105.40893	0.9
107.04967	1.7
107.08601	4.9
109.02877	11.6
109.06541	3.9
109.10182	1.8
112.67706	0.7
113.06059	1.0
115.03938	1.0
119.08578	4.1
121.06506	2.2
121.10172	2.7
122.07307	4.8
123.08068	17.8
123.11704	1.6
127.03920	26.1
131.08514	1.2
133.10130	4.9
135.08063	28.8
135.11700	3.9
137.05992	2.3
137.09660	2.2
144.08133	1.8
145.04968	40.9
145.10175	0.9
147.11717	2.4
148.08905	1.0
149.09656	2.8
163.03912	1.9
163.06039	5.5
163.14934	0.9
165.12753	22.1
167.07072	1.2
171.06548	2.0
173.13255	2.0
175.14810	4.6
176.11945	4.2
177.12668	1.0
189.07623	3.2
191.14308	87.1
192.14697	1.1
193.15887	13.0
207.13922	2.9
209.15381	12.4
281.65140	0.8
309.16800	0.9
353.13971	1.5
353.19702	3.4
371.20605	10.1
533.26062	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.25964	0.5
55.51853	0.5
57.03430	0.8
61.02931	1.2
67.05502	1.0
69.03429	3.8
69.60825	2.6
71.04987	0.6
79.05499	0.9
80.05003	1.1
81.03426	3.7
81.07011	0.5
85.02902	6.4
87.04477	0.8
93.87703	0.5
95.04961	4.2
96.04494	0.8
97.02887	3.8
98.20738	1.0
99.04449	0.8
103.01719	0.5
106.06544	1.7
107.04951	2.1
109.02875	1.8
115.05426	1.5
117.05792	0.7
118.06551	4.0
121.06508	1.0
122.03661	0.6
123.04426	1.4
124.03942	8.0
125.02351	5.9
127.03899	1.2
130.06491	1.4
132.04468	9.5
132.08098	19.3
137.05983	1.8
142.06494	5.0
144.08182	1.0
145.04985	0.7
146.95419	0.5
148.07576	0.7
149.06030	0.9
151.03902	11.3
158.06058	1.5
159.53534	0.5
160.07585	100.0
161.07892	1.0
176.07079	1.3
177.05420	1.2
177.10240	3.1
187.08688	3.3
203.11765	5.3
237.10269	0.6
239.11826	3.6
264.25833	0.5
265.09814	3.1
265.13364	25.3
267.11417	1.5
267.14911	0.6
281.09314	0.7
283.10782	12.9
283.13959	0.7
285.12573	1.2
301.11908	1.5
309.15927	4.6
317.12799	0.6
327.16977	4.2
335.13913	3.8
353.14966	18.4
371.16019	18.3
394.89398	0.6
489.22372	0.7
515.20361	1.7
533.21338	50.2
534.21484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
53.59340	0.8
53.59592	0.8
54.18457	0.7
55.01861	1.6
57.03417	1.8
61.02911	3.2
66.05135	0.7
69.03432	10.9
69.40252	4.0
69.40656	1.6
71.04983	1.0
73.02909	1.8
79.05503	1.6
81.03427	4.6
85.02911	11.7
87.04466	2.2
91.03959	1.0
91.05495	1.4
92.71539	0.8
93.99049	0.7
95.04957	2.6
96.63445	0.7
97.02886	7.9
99.04446	2.1
101.28660	0.9
102.04712	0.8
105.51556	0.7
105.60722	0.8
107.04944	1.4
109.02863	2.9
112.19219	0.7
112.69080	0.8
117.05743	0.8
118.06503	0.9
119.04930	1.8
121.06568	0.9
123.04416	2.4
125.02334	1.7
127.03902	1.9
129.07008	8.0
129.29967	0.7
130.06502	4.8
132.08037	1.7
135.04417	1.9
143.07312	5.9
144.08092	10.9
145.05035	0.9
145.08900	0.9
146.05989	2.4
146.09656	1.9
147.04433	6.7
151.03894	5.6
156.08096	45.0
157.08876	13.7
158.09656	57.8
160.07600	12.1
163.03880	1.8
168.08131	1.1
172.07541	4.4
173.08374	1.3
174.09132	1.3
177.05432	1.3
179.03412	2.4
182.09694	1.8
183.06815	1.7
184.07570	2.1
184.11153	1.4
186.09106	2.3
188.37149	0.9
191.03433	2.1
194.09644	3.0
196.07556	4.1
197.08347	2.6
198.09213	1.7
210.09172	5.1
211.09933	0.9
212.10643	2.2
220.11205	1.1
222.09134	2.6
222.12625	0.9
223.09758	1.0
231.10594	1.0
234.09271	0.8
238.08627	7.1
238.12318	0.9
239.09456	2.1
240.10216	1.2
244.11145	1.3
248.10597	3.7
254.08141	1.1
261.87515	0.8
262.12186	1.6
266.08240	3.7
266.11465	0.8
267.08871	4.5
272.10767	0.8
274.12289	1.2
276.10251	1.0
281.56485	1.0
283.10626	1.0
284.09189	1.9
285.10013	1.9
290.11652	2.0
292.13266	2.2
310.14371	32.5
318.11255	5.0
318.18146	0.8
324.12238	1.6
336.12289	24.4
342.13333	3.2
353.14835	2.8
354.13373	94.4
355.13708	2.1
371.16022	3.5
396.63245	0.8
515.20190	3.3
516.18683	100.0
517.18646	2.4
533.13916	1.4
533.21399	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.3
55.01870	7.2
55.05514	35.9
56.81249	2.6
57.03442	13.5
57.07074	4.2
60.70015	2.6
60.74651	2.6
61.81089	2.8
65.03922	4.0
67.05505	93.2
69.03423	17.9
69.07072	18.6
71.04991	7.2
73.02911	4.0
79.05495	88.0
79.42060	2.7
81.03424	24.8
81.06598	5.3
81.07057	100.0
83.04964	7.8
83.08630	18.0
85.02892	16.9
88.59673	2.6
91.05482	51.9
93.07043	91.7
95.04987	14.2
95.08607	65.9
97.02859	13.4
97.06499	6.5
97.10175	5.7
99.04439	4.4
102.98433	2.9
103.03959	3.1
105.07035	50.9
107.04979	5.9
107.08593	55.6
109.06520	5.5
109.10153	34.5
111.04471	6.9
111.08076	4.5
115.05536	3.5
117.07016	30.2
119.08576	42.4
121.06522	5.7
121.10145	39.0
123.08078	5.5
123.11700	15.7
125.09619	3.1
127.03915	8.8
129.05443	4.0
129.07002	12.3
131.08569	36.5
133.10138	26.3
135.08020	3.3
135.11700	30.4
137.13251	4.6
139.11176	3.4
141.06940	4.4
143.08557	12.2
145.04938	3.6
145.06502	4.6
145.10110	28.3
147.08192	3.3
147.11658	20.7
149.13249	19.4
153.07030	2.8
155.08562	4.2
157.10110	9.0
159.11716	22.2
161.13217	11.6
163.11206	4.1
163.14815	8.8
169.10110	7.1
171.08078	3.6
171.11662	6.6
173.13231	19.8
175.11151	3.0
175.14798	6.5
177.16322	3.3
183.11681	5.6
185.13217	7.9
187.14807	10.1
189.09105	4.4
189.12694	4.0
197.13240	3.0
199.14864	5.8
201.16425	5.3
203.10738	3.4
233.15370	4.3
235.13251	4.1
241.19470	3.0
243.21022	14.8
249.14764	3.4
259.20547	6.0
261.22171	45.1
273.22061	4.1
277.21539	7.9
285.22192	3.8
289.21848	6.0
291.23288	6.0
297.22058	4.9
301.21664	5.2
303.23157	10.0
315.23117	9.8
335.25952	3.7
340.99182	2.6
341.24628	5.0
345.24173	4.9
351.23047	10.4
353.26782	3.0
369.24323	21.7
387.25305	19.8
405.26288	28.9
423.27368	14.8
473.39679	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25885	1.3
53.03935	7.0
55.01861	6.9
55.05515	20.6
57.03453	7.3
57.07066	4.5
65.03930	5.6
67.05505	100.0
68.05836	3.0
69.03419	3.8
69.07070	21.7
71.04995	7.7
71.08630	3.0
79.05497	60.9
81.03391	2.4
81.07059	80.5
82.07404	2.3
83.04987	10.3
83.08623	12.0
85.06548	8.1
88.80882	1.7
91.05482	71.0
93.07047	67.8
93.07639	2.6
94.46458	1.3
95.04961	9.4
95.08605	37.7
95.09179	2.4
97.06532	7.2
97.10147	3.1
99.04486	2.1
105.07035	56.6
105.95792	1.6
107.04942	2.2
107.08594	54.4
109.06525	5.5
109.10160	67.6
111.08070	3.2
113.06010	1.9
117.07033	11.9
119.08583	18.9
121.10149	23.2
123.08070	2.2
123.11697	13.9
125.09615	1.8
127.07576	4.0
128.06210	1.8
129.07005	4.8
131.08583	15.5
133.09126	3.9
133.10135	82.8
135.11690	17.8
137.09622	2.9
137.13271	2.5
141.06975	2.1
143.08600	4.5
145.10124	13.1
147.11662	8.7
149.02376	2.4
149.09627	2.1
149.13271	9.4
151.11186	45.8
155.08606	2.3
157.10178	2.5
159.11720	9.4
161.09619	1.9
161.13249	7.3
163.11272	1.9
163.14841	3.4
168.65082	1.6
169.10037	1.5
169.12260	10.9
171.11740	4.5
173.13326	5.9
175.14835	3.6
179.10725	2.2
179.14333	5.3
181.10086	1.7
183.11787	2.0
185.13249	1.9
187.14810	3.6
188.64520	1.6
215.12764	3.9
225.16444	1.9
229.32657	1.8
243.21127	3.4
253.14354	72.0
255.16136	2.2
256.26602	2.1
259.20657	2.4
261.22122	18.9
271.15372	2.9
277.21738	2.9
317.24881	6.3
421.31201	2.9
439.32013	8.2
457.33182	6.0
513.35840	13.6
531.37030	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99292	3.1
52.81106	3.1
53.03939	9.3
55.01867	8.4
55.05512	41.2
55.20570	3.6
57.07065	7.8
67.05507	65.9
69.07063	27.8
71.04981	7.1
71.49502	5.5
73.02876	4.1
79.05500	62.9
80.34693	3.3
81.03419	29.8
81.07063	72.1
83.04983	12.6
83.08164	3.9
83.08627	42.9
85.06561	4.4
87.04454	13.2
91.05484	48.7
93.07051	66.8
95.04966	33.0
95.08615	37.1
97.06544	10.5
97.10162	10.0
105.00085	8.0
105.07036	49.7
107.04970	16.6
107.08591	32.0
109.06521	10.8
109.10151	18.3
111.08088	11.5
117.07030	11.8
119.08589	37.8
121.06502	12.1
121.10162	23.7
123.08073	7.4
123.11730	6.1
125.09644	9.4
129.07025	5.8
131.08594	24.7
133.10130	34.1
135.08099	10.6
135.11705	16.3
137.09749	3.5
141.07040	4.2
143.08540	7.3
145.10133	30.7
147.08075	6.5
147.11702	26.0
149.09628	17.9
149.13263	7.5
151.11238	4.8
155.08540	7.3
157.10149	8.4
159.11729	10.6
161.13257	6.9
163.11183	36.0
165.12726	6.9
169.10114	4.5
171.11691	15.5
173.09619	3.5
173.13275	9.5
175.14778	5.7
177.12791	4.0
183.11746	4.6
187.11232	4.0
189.12706	7.0
193.12238	3.7
197.13235	6.8
201.12965	4.3
207.13846	11.6
229.19470	5.8
236.89977	3.6
237.14839	9.7
239.18007	11.4
247.20634	4.8
257.18988	17.0
275.20084	100.0
289.21622	7.5
307.22729	45.5
352.48148	3.2
404.59952	3.7
531.40308	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20313	2.0
53.03941	7.7
55.01871	6.5
55.05272	2.5
55.05516	33.6
57.03436	15.3
57.07071	4.2
65.03941	5.0
65.39488	2.1
67.05507	82.5
69.07079	28.6
69.82227	10.6
70.25315	2.0
71.05000	3.8
79.05495	64.2
81.03407	4.2
81.07063	67.7
83.04971	8.1
83.08633	16.9
85.06541	5.8
91.05488	69.2
93.07048	75.1
95.04968	7.3
95.08613	48.4
97.06516	12.0
97.10182	9.9
99.08096	2.7
105.04562	3.4
105.07038	59.5
107.04886	2.4
107.08603	47.4
109.06511	4.4
109.10156	22.2
111.08078	3.8
115.05534	3.6
117.07012	27.6
119.08587	60.4
121.06496	2.5
121.10167	24.7
123.08019	3.2
123.11701	4.7
125.09628	8.9
128.06226	5.8
129.07024	14.3
130.07803	3.4
131.08569	42.3
133.06599	2.1
133.10147	41.8
135.08034	3.5
135.10719	3.0
135.11693	39.6
141.06982	4.5
142.07788	5.8
143.08565	27.8
145.10130	53.4
147.08089	2.4
147.11699	34.7
149.09555	3.5
149.13251	7.0
151.11201	6.8
155.08559	11.7
156.09276	5.6
157.08995	2.5
157.10164	31.1
159.11707	36.7
161.09592	4.4
161.13290	23.1
163.11203	10.8
163.14868	3.4
167.08629	2.6
169.10149	16.7
171.11705	25.9
173.13280	26.6
175.11133	4.8
175.14778	13.9
181.10106	6.7
181.12271	6.2
183.11705	13.7
185.13229	24.9
187.14801	11.4
193.10181	3.2
195.11736	7.1
197.13315	11.0
199.14894	13.6
201.16428	3.1
209.13248	7.6
211.14873	5.9
213.16357	7.0
223.14751	3.5
225.16360	5.7
231.21008	4.8
239.77588	2.2
241.19511	23.6
253.14314	9.1
255.15953	29.6
259.20587	47.7
261.22101	5.1
281.22540	2.1
284.41495	2.5
285.22183	4.9
287.19931	2.9
297.22137	3.4
299.23438	2.8
309.22046	2.4
311.23724	3.1
313.21863	3.5
313.25311	2.9
315.23111	6.0
317.24594	2.9
323.23837	2.8
327.23059	4.1
329.24698	2.3
333.24265	17.2
341.24744	3.2
352.20364	2.7
391.29474	2.3
393.31488	5.9
403.29913	6.3
409.30838	5.8
411.32642	9.8
421.31076	26.6
439.31943	21.8
457.33173	19.4
485.36243	8.4
495.34457	5.8
501.35709	5.4
503.37256	29.6
513.35803	100.0
531.29688	3.1
531.36908	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.7
55.01873	6.5
55.05518	44.9
57.03436	19.3
58.65939	4.1
61.16644	3.3
65.03951	6.3
67.05186	5.9
67.05513	92.7
69.07085	27.9
71.04988	11.8
79.05078	5.4
79.05504	72.2
81.03408	7.9
81.07065	78.7
83.04994	13.0
83.08634	22.8
85.06544	9.2
91.05490	61.5
93.07053	76.3
95.04962	9.6
95.08633	44.7
97.06538	12.4
97.10173	14.5
98.20765	11.5
105.06397	6.3
105.07042	61.6
107.04959	4.7
107.08604	47.6
109.06532	4.1
109.10169	28.8
111.08062	4.9
117.07037	24.5
117.07748	4.1
119.08605	64.2
121.10165	28.2
123.11734	9.5
125.09641	11.7
129.07008	16.0
130.07884	5.6
131.08592	47.4
133.10144	42.6
135.08075	5.5
135.11740	40.0
141.07025	5.1
143.08569	35.5
145.10144	55.1
147.08047	6.4
147.11720	30.9
149.13242	7.5
155.08574	13.6
156.09390	4.3
157.10188	25.0
159.11705	39.4
161.09669	5.1
161.13278	27.1
161.94289	3.8
163.11226	10.1
169.10097	18.4
171.11684	26.3
173.13264	18.3
175.14839	14.6
181.10117	6.6
181.12320	6.0
183.11708	17.1
185.13281	15.7
187.14796	9.3
195.11731	5.9
197.13307	15.0
198.08871	4.1
199.14850	14.1
209.13289	8.6
211.14873	11.0
213.16386	5.4
223.14815	8.1
231.21234	5.4
241.19601	23.3
253.14331	4.8
255.15939	31.3
259.20587	41.1
261.22134	5.7
323.95834	3.7
333.24258	15.0
348.12338	4.0
393.31766	7.2
403.29858	6.6
409.31168	8.3
411.32593	11.2
421.30826	23.2
429.33551	6.1
439.32132	18.8
457.33060	21.1
485.36206	6.7
495.34833	6.6
501.35214	7.0
503.37506	31.5
513.35840	100.0
531.36884	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	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01870	6.3
55.05263	2.6
55.05509	23.0
57.03430	4.1
57.07057	5.4
65.03937	5.4
67.05509	97.6
69.03419	4.7
69.07068	23.9
70.95654	2.0
71.04987	8.9
71.08609	2.1
78.04750	1.7
79.05498	58.6
81.03388	4.5
81.07059	85.9
83.04985	8.5
83.08624	6.3
83.60738	1.3
85.02926	1.8
85.06533	8.7
87.04466	6.7
91.05484	67.7
93.07047	63.0
95.04990	10.1
95.08610	39.7
97.06534	6.4
97.10159	4.1
99.04440	3.1
103.41972	1.7
105.04508	1.8
105.07033	60.2
107.04982	2.8
107.07883	3.4
107.08600	61.4
109.06519	6.9
109.10161	86.4
113.06011	3.1
117.07025	9.7
119.08586	17.6
121.06528	2.0
121.10162	19.1
123.11705	16.0
125.09627	3.0
127.07547	2.5
129.07062	1.9
131.08577	14.2
133.10135	100.0
134.10487	1.8
135.11682	16.8
143.08585	3.1
145.02841	9.4
145.10139	11.4
147.11725	8.3
149.13261	11.3
151.11189	54.7
153.12746	2.0
159.11708	10.5
161.09602	3.0
161.13228	4.5
163.14838	4.5
169.10147	2.0
169.12222	14.6
171.11652	2.4
173.13283	8.3
175.14850	3.4
177.05440	18.3
179.10718	2.3
179.14345	1.8
182.09311	1.6
183.11606	1.6
185.13319	1.8
187.14854	2.6
189.16219	1.6
215.12767	6.9
233.22597	1.6
243.21217	5.0
253.14369	96.2
261.22174	26.8
271.15439	4.4
276.86044	1.6
282.46127	1.6
317.24716	8.1
321.46762	1.6
394.84131	1.8
411.32379	2.2
439.31979	4.4
447.34705	1.9
457.33069	6.3
513.35767	15.0
531.36926	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.6
52.11074	2.5
53.03951	14.3
55.01864	8.1
55.05512	26.7
65.03952	4.7
67.05509	61.1
69.07074	18.7
71.04970	3.3
79.05496	95.8
81.03416	8.4
81.06595	4.1
81.07058	69.8
82.07378	2.8
83.04974	8.3
83.08632	14.4
85.06527	3.9
91.05486	82.2
93.07051	100.0
93.07641	5.5
94.07358	2.9
95.04973	24.0
95.08611	33.2
97.06536	9.9
97.10166	8.6
97.43027	2.5
105.04556	6.3
105.06332	3.1
105.07036	60.0
107.04974	18.9
107.08604	30.9
109.02855	3.3
109.06493	12.1
109.10163	10.4
111.08060	3.5
115.05463	2.7
117.07018	17.0
119.08595	31.9
121.06503	9.7
121.10152	9.2
123.04385	2.8
123.08107	12.4
125.09668	7.1
128.06232	8.4
129.07013	34.6
130.07741	2.7
131.08614	11.6
133.06490	6.2
133.10121	18.4
135.08066	13.3
135.11710	6.1
137.05904	2.9
137.09659	3.4
143.08563	19.4
145.06512	6.1
145.10155	19.3
147.08051	6.8
147.11699	42.4
151.07518	3.5
151.11243	2.9
153.12720	3.3
157.10129	3.8
159.08040	3.9
159.11699	5.3
161.09622	14.3
161.13266	18.7
163.07545	10.9
163.11188	5.2
169.10127	3.9
171.11688	52.3
173.09538	3.8
179.10701	2.6
179.14339	5.0
189.11209	4.2
189.12729	31.8
193.12263	24.5
207.13815	53.3
221.11717	8.4
243.17435	4.5
261.18509	5.4
271.16910	8.8
289.17984	82.9
307.19046	14.6
320.10004	2.6
379.22388	3.0
495.31201	3.2
513.36029	3.4
531.39728	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01868	5.4
55.05311	2.2
55.05516	24.8
55.22965	2.4
57.03441	22.8
61.27674	2.4
67.05508	30.9
69.03416	8.5
69.07070	6.6
69.90920	2.3
70.62520	7.3
71.04974	7.0
79.05491	33.9
81.03421	95.2
81.07056	41.1
83.04990	20.7
83.08621	31.9
85.02902	31.5
85.06567	2.6
91.05481	48.2
93.07054	28.0
95.04969	34.6
95.08588	15.1
97.02864	5.0
97.06564	7.0
97.10148	7.0
99.08061	3.3
105.07025	34.3
107.04955	10.3
107.08595	9.5
109.06516	7.3
111.04455	3.5
111.08057	13.6
111.30255	2.6
113.06022	3.6
119.08585	23.4
121.10136	10.7
123.08052	5.2
129.06998	15.9
129.07852	2.5
131.08569	19.8
133.06477	4.5
133.10152	18.8
133.69565	2.5
142.07738	5.6
145.10164	4.0
147.11690	24.6
149.09622	10.4
157.10121	21.5
175.11180	19.9
193.12260	76.6
199.24603	2.7
211.13297	100.0
248.69260	2.9
249.78467	2.7
267.15945	26.6
285.16974	90.7
365.85858	2.9
365.90417	2.9
459.27350	8.5
477.28436	11.4
495.29666	35.6
531.20837	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56926	0.8
51.02383	1.8
53.03962	5.5
55.01864	2.5
55.05513	20.7
57.03434	3.9
57.07058	1.8
58.99836	0.9
59.33068	0.8
65.03927	3.8
67.05507	66.2
69.03422	1.7
69.07071	18.9
70.62762	1.4
70.63089	1.5
71.04980	2.7
71.08628	1.2
77.03923	0.9
79.05024	1.1
79.05496	51.0
81.03416	6.4
81.07059	67.7
83.04971	3.9
83.08616	10.4
85.06541	4.4
91.05484	32.7
91.30148	0.8
93.07047	54.3
95.04966	7.1
95.08607	33.7
96.52453	0.9
97.06539	5.8
97.10169	2.8
99.08092	1.9
105.04509	2.2
105.06331	1.2
105.07034	21.9
107.07881	1.6
107.08598	27.2
109.06512	1.9
109.10159	12.0
111.08092	5.5
115.05457	1.2
117.07018	12.3
119.08595	14.5
121.06500	1.0
121.10157	22.0
123.11724	3.9
125.09647	2.0
129.07001	4.0
131.08577	18.4
133.10124	15.7
135.08040	1.2
135.11691	15.2
141.07043	1.2
143.08595	4.5
145.10133	11.0
147.11694	6.9
149.09615	1.6
149.13255	16.7
155.08559	1.3
157.10144	6.3
159.11716	13.7
161.13277	3.7
169.10161	1.8
170.92058	0.9
171.11702	4.1
173.13243	5.0
175.14897	2.8
177.12788	4.1
181.10037	1.4
183.11737	2.9
185.13293	3.1
187.14874	3.4
193.12262	1.2
195.12222	1.0
195.13753	5.3
197.13341	1.9
199.14809	2.1
201.16490	1.5
209.13193	0.9
213.14777	1.2
241.72430	0.8
257.18988	0.9
259.20816	0.9
261.22214	2.7
311.23688	1.4
317.24622	1.2
365.14465	0.9
419.33026	2.8
437.34137	7.2
455.35269	4.7
473.36398	1.8
493.36801	1.3
511.38364	4.4
529.38922	100.0
530.39154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.4
52.87846	0.9
53.03950	6.6
54.11118	0.9
55.01859	2.7
55.05272	1.6
55.05515	20.3
57.03444	4.9
57.07073	5.5
58.58628	1.0
63.47636	1.1
65.03947	3.6
67.00387	0.9
67.05508	64.1
68.05833	1.2
69.03427	1.7
69.07069	17.7
70.06580	2.2
70.94092	2.6
71.04981	3.2
79.05497	51.7
81.03425	7.4
81.07059	66.4
82.03773	1.1
83.04988	4.6
83.08619	12.1
85.06546	4.2
87.04486	7.6
88.07612	1.5
91.05483	34.5
93.07044	58.0
94.07352	1.4
95.04967	8.9
95.08608	36.6
97.06522	6.7
97.10162	3.8
99.08086	2.0
102.09178	1.8
105.04536	2.2
105.07031	22.1
107.04961	1.7
107.08593	28.7
109.06557	1.2
109.10171	12.1
111.08077	5.0
115.05508	1.4
117.07020	12.0
119.08586	19.0
121.06547	2.4
121.10148	21.0
121.10941	1.8
122.10560	1.1
123.08106	1.8
123.11729	3.9
128.06248	1.3
129.06999	5.2
131.08568	18.4
132.08902	1.2
133.10139	16.2
135.08099	1.2
135.11688	13.4
137.09663	1.5
143.08537	6.5
145.10117	13.2
147.11691	9.4
149.13260	18.4
155.08578	2.5
157.10117	5.6
159.11707	14.3
161.13274	5.1
163.14777	1.2
169.10152	3.1
171.11752	3.9
173.13226	6.4
177.12799	4.3
181.10144	1.3
183.11783	2.5
185.13336	3.7
187.14857	3.4
188.94490	1.1
193.12280	1.3
195.12015	1.1
195.13756	5.1
197.13284	1.8
199.14883	2.5
201.16441	1.7
211.14799	1.9
223.14784	2.0
243.21216	1.3
256.26373	15.6
261.22229	4.1
275.20242	2.1
295.53326	1.2
333.23941	1.1
419.33087	2.9
437.34271	7.9
455.35263	4.9
473.36041	1.3
511.38058	5.0
529.38898	100.0
530.38635	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01871	3.2
55.05518	19.2
57.03447	5.8
57.07083	1.9
61.32685	1.1
63.46901	1.2
65.03958	3.0
66.00407	1.2
67.05511	56.7
69.03454	1.2
69.07075	21.9
71.05002	3.7
79.05504	48.0
81.03436	5.0
81.07067	55.7
83.04995	4.8
83.08636	10.7
85.06559	4.1
86.61875	1.3
91.05492	37.0
93.07055	48.3
95.04977	5.8
95.08617	30.0
96.09000	2.0
97.06525	6.2
97.10188	5.1
98.21703	1.1
99.08112	2.2
103.05494	1.2
104.05791	1.2
105.04574	2.5
105.07051	25.3
107.05007	4.2
107.08604	25.6
109.06557	2.3
109.10156	12.0
111.08091	2.2
115.05521	1.4
117.07038	13.6
119.08582	18.8
120.08966	1.2
121.06521	3.2
121.10163	18.3
123.11756	4.1
125.09690	2.4
128.06261	2.2
129.07014	7.3
130.07802	1.3
131.08589	26.3
133.10162	18.4
135.08121	1.7
135.11703	10.6
139.07602	1.2
140.10696	1.1
141.07043	1.4
143.08574	8.0
145.10146	17.6
147.11711	9.2
149.09689	3.4
149.13310	12.9
155.08604	2.6
157.10121	6.6
159.11731	15.0
161.13275	5.5
163.11317	2.1
169.10214	5.3
171.11699	7.4
173.13283	9.7
175.14920	2.5
177.12830	1.8
179.14290	1.6
181.10170	2.6
183.11775	3.5
185.13347	5.0
187.14902	4.3
195.12073	1.8
195.13914	3.9
197.13321	3.4
199.13269	1.3
199.14882	4.1
201.16386	1.6
211.14949	1.9
213.16408	1.2
225.16454	1.7
229.10789	1.2
256.26620	1.4
257.19040	1.4
259.20486	1.4
261.22137	2.6
275.20193	4.8
285.22351	1.5
313.25388	1.3
317.24863	1.3
325.25507	1.5
329.25043	1.4
331.26624	1.4
333.90781	1.2
419.33337	2.9
437.34454	10.2
455.35580	3.4
463.78009	1.2
473.36609	2.0
511.38513	6.9
529.31769	11.0
529.39050	100.0
530.39178	2.5
554.22632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03951	4.7
55.01871	1.5
55.05276	1.5
55.05515	21.3
57.03442	4.9
57.07067	2.7
64.07019	0.8
65.03920	3.3
67.05509	67.1
69.03422	1.7
69.07073	21.5
69.80133	5.7
71.04988	3.9
77.03946	1.2
79.05499	49.2
81.03418	7.7
81.07060	74.1
83.04978	5.9
83.08626	12.9
85.06541	3.3
85.23434	0.9
87.19955	0.9
91.04906	1.6
91.05483	31.7
93.07049	54.7
95.04984	6.8
95.08613	33.6
97.06525	8.3
97.10149	2.3
99.08099	2.6
105.04529	1.7
105.07030	19.2
105.99522	0.9
107.07880	1.7
107.08601	28.6
109.06538	1.9
109.10158	11.7
111.08086	5.0
117.07021	9.7
119.08590	16.6
121.06498	1.3
121.10158	23.3
123.08080	0.9
123.11717	3.4
125.09570	1.0
129.07008	4.6
131.07629	1.3
131.08577	16.8
133.10150	12.3
135.08099	1.3
135.11713	10.5
139.11177	1.0
142.07837	1.5
143.08577	3.9
145.10133	10.4
145.12544	1.0
147.11702	6.4
149.13264	22.5
151.11230	1.4
155.08617	2.0
157.10135	4.7
159.11691	14.8
161.13243	3.0
163.14822	2.6
169.10205	2.0
171.11702	4.6
173.13254	6.6
175.11264	1.0
175.14799	2.3
177.12785	3.3
183.11731	2.6
185.13287	2.4
187.14851	2.4
193.12253	1.6
195.11894	1.0
195.13843	3.8
197.13271	2.3
199.14833	2.9
200.62680	1.0
243.21300	1.7
255.17636	1.1
261.22107	5.8
262.89569	0.9
299.23700	1.8
317.24915	1.0
333.24292	1.0
419.33313	1.4
437.34070	7.5
455.35257	2.5
473.36118	1.3
511.37772	2.9
529.38916	100.0
530.39392	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
53.68464	1.0
55.01866	2.0
55.05515	18.0
55.82023	0.8
57.03436	3.0
57.07071	3.3
58.13201	0.9
65.03935	4.5
67.05510	67.9
69.03429	1.5
69.06734	1.5
69.07074	21.0
71.04992	2.9
77.03926	1.1
79.05499	56.6
81.03432	7.3
81.07064	74.8
83.04987	3.8
83.08624	13.9
85.06544	3.7
91.04915	1.3
91.05489	32.1
93.07049	59.5
95.04974	6.1
95.08614	37.2
97.06555	7.3
97.10183	3.6
99.08051	1.2
105.04520	3.0
105.07039	21.3
107.08606	30.9
109.06516	2.9
109.10159	11.6
111.08078	3.7
113.09619	1.1
117.07030	14.0
119.08599	15.6
121.10156	23.5
123.11694	4.6
129.07069	2.8
131.08568	15.7
133.10130	13.9
135.11716	14.5
137.09583	1.1
137.13345	1.2
139.11148	1.0
143.08571	4.3
145.10123	10.0
147.11696	5.2
149.13264	20.1
151.11227	1.5
155.08592	2.4
157.10127	4.4
159.11713	15.8
161.13275	3.5
163.14970	1.1
169.10086	2.1
171.11711	4.3
173.13318	5.9
175.14899	2.0
177.12766	3.3
183.11752	1.5
185.13278	2.6
187.14851	2.4
193.12318	2.7
195.13828	8.7
197.13292	1.0
199.14934	2.6
225.16486	1.4
243.21147	1.2
247.51813	1.1
261.22156	3.7
275.19952	1.2
315.23007	1.0
419.33139	1.5
437.34222	7.1
455.35214	2.9
473.36142	1.4
511.38101	2.9
529.38904	100.0
530.39105	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	529.2287
Annotation	Dutasteride
Peak:m/z	Relative Intensity
52.47712	7.9
53.03938	19.4
53.96919	8.3
55.05511	34.8
67.05510	55.6
68.78572	9.4
69.03432	34.4
69.07069	30.9
69.76919	47.4
69.86002	7.6
71.05003	19.1
79.05492	39.7
81.03419	51.5
81.07072	81.8
83.04971	20.1
83.08624	21.5
84.00014	9.1
85.02905	34.1
85.06518	10.0
91.05501	50.4
93.07056	34.2
95.04988	20.1
95.08607	79.0
97.02895	22.2
97.06527	26.3
100.11243	17.0
105.07038	40.2
107.08600	24.2
109.02896	21.2
109.06533	16.1
109.10168	22.9
117.07047	18.0
119.08585	44.3
127.03928	32.3
131.08539	17.7
133.06505	9.0
133.10176	26.0
135.11729	16.2
139.07526	10.5
143.08647	9.8
149.09654	10.0
151.07582	14.4
153.01848	100.0
157.10014	9.5
161.13277	41.1
179.14348	44.6
223.08691	15.2
237.15005	18.4
263.08203	8.8
265.09680	15.5
280.08426	25.6
287.16544	17.6
295.64157	9.4
305.17508	47.0
323.14523	18.7
323.18558	87.2
341.19434	20.4
349.11862	56.3
367.12869	33.5
529.20258	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2183
Annotation	Psychollatine
Peak:m/z	Relative Intensity
53.03931	1.3
54.76908	0.6
57.03408	0.9
61.02906	2.1
67.05479	1.0
69.03432	3.2
69.03738	0.6
69.88243	2.6
73.02931	0.9
77.46312	0.8
77.59209	0.6
81.03416	5.9
85.02891	4.3
87.04452	0.8
95.04971	4.5
97.02901	3.9
98.20697	0.7
105.03415	0.6
109.02885	1.1
117.06966	0.9
123.04421	2.6
127.03932	0.9
127.83029	0.6
143.07294	0.8
144.08086	15.7
151.03894	1.2
155.07268	3.2
163.95389	0.8
165.05466	9.4
167.07298	0.9
168.08063	1.9
169.07501	0.7
182.08443	1.0
183.09198	3.4
184.09958	28.4
185.10756	13.9
192.08057	0.8
195.09151	3.2
206.08429	0.9
207.09187	1.4
209.10718	8.0
210.11551	2.8
213.10254	2.1
219.09210	3.1
221.10777	2.9
222.07938	1.0
235.08722	2.1
237.10240	8.4
237.13882	1.6
238.11038	1.2
239.11938	0.8
247.08723	1.0
247.12314	6.8
249.10268	3.3
250.07451	5.4
261.13971	1.2
263.08154	17.1
264.09079	1.0
265.09720	70.8
266.10306	1.4
269.12836	2.7
279.11224	3.6
281.09406	1.9
281.12863	3.0
289.13318	4.1
297.12326	17.2
298.13266	1.7
305.12903	1.0
317.12811	2.1
321.16122	1.4
335.13898	3.3
339.17236	1.3
347.15988	1.3
349.15472	14.1
352.15405	0.7
354.87729	0.9
367.16525	44.3
368.16763	0.9
429.14914	0.8
429.20892	0.9
431.15295	0.7
529.21814	100.0
530.22095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01873	14.2
55.05511	30.9
57.03436	18.7
59.05000	2.5
63.15458	2.2
66.29081	2.0
67.05511	33.8
68.74772	2.1
69.03442	6.0
69.07058	7.8
71.01353	2.9
71.04980	10.8
71.22736	4.6
79.05076	3.4
79.05497	42.3
81.03419	72.2
81.07060	41.8
83.01342	7.5
83.04981	27.4
83.08623	28.7
85.02900	23.9
85.06524	4.2
91.05481	46.5
93.06481	3.6
93.07050	39.0
95.04974	29.2
95.08611	14.1
97.02879	4.6
97.06515	7.0
97.10146	3.9
99.04429	2.5
105.07031	29.2
107.04958	13.1
107.08611	19.9
109.06503	8.1
109.10169	4.6
111.04465	3.0
111.08082	10.6
113.05997	3.5
117.07008	10.7
119.08579	25.7
121.06483	6.1
121.10125	13.1
123.08067	9.9
129.07001	12.8
131.08601	13.8
132.20477	2.9
133.06516	3.6
133.10114	14.0
135.11691	11.2
137.09595	4.6
142.07785	3.6
145.10120	16.6
147.08047	6.3
147.11653	11.5
149.09616	5.3
153.12773	2.9
157.10179	13.0
163.11186	27.5
165.12781	2.5
173.09622	4.8
175.11186	15.1
181.12318	4.4
193.12265	47.4
209.11734	10.7
211.13284	95.7
220.00624	2.6
227.12788	4.0
267.15997	12.5
283.15396	100.0
285.16931	59.2
475.26743	15.3
482.92136	2.8
493.27942	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03947	4.8
55.01864	2.8
55.05515	21.6
56.74947	0.8
57.03433	4.1
57.07072	2.4
65.03941	3.3
65.69955	0.7
66.94714	0.8
67.05508	43.6
69.03414	2.4
69.07070	11.5
71.04979	1.9
71.08633	0.8
76.15194	0.8
77.03927	0.9
79.05499	37.9
81.03424	42.2
81.07059	34.4
83.04994	4.8
83.08160	1.2
83.08624	15.7
85.06537	2.0
91.04911	1.5
91.05482	29.2
93.07053	31.5
94.75909	0.9
95.04974	15.6
95.08611	20.1
97.02869	1.2
97.06534	3.0
97.10171	10.3
103.05502	1.5
105.04528	1.5
105.07034	22.6
107.04955	3.6
107.08603	18.3
109.06529	2.2
109.10167	13.3
111.08115	3.8
115.05502	1.3
117.07027	12.4
119.08587	19.4
121.06493	2.0
121.10152	15.6
121.10960	0.5
123.04480	0.7
123.08060	1.8
123.11718	2.8
125.09642	6.2
128.06233	2.2
129.07008	11.9
131.08569	19.7
133.06512	2.3
133.10133	11.5
135.08070	1.7
135.11697	8.5
137.09618	1.7
141.07008	1.9
142.07814	4.1
143.08562	9.2
143.10727	1.0
144.09395	1.2
145.10141	12.5
147.08012	1.3
147.11707	8.6
149.09630	3.6
149.13235	5.5
155.08560	6.8
157.10144	12.4
159.11705	9.8
161.13324	4.6
163.11270	1.1
163.14902	1.4
167.08563	1.4
169.10167	4.6
171.10217	1.5
171.11671	8.2
173.11899	1.7
173.13266	7.9
175.11226	4.6
175.14885	2.0
179.08623	0.9
181.10159	3.5
183.11699	7.3
183.77139	0.8
185.13245	6.1
187.14842	3.3
189.11263	3.0
193.12260	19.6
195.11711	2.8
196.12517	1.0
197.13278	5.5
199.14833	3.2
201.16403	1.4
209.13345	2.6
211.14825	2.2
213.16365	1.2
221.13290	1.7
223.14905	1.8
225.16447	1.4
235.15002	1.3
237.16524	1.9
243.21190	2.0
249.14883	2.6
259.20374	1.1
261.22208	6.4
301.25293	2.8
309.22244	1.4
311.23602	1.4
315.23276	1.1
317.24808	1.7
323.23706	1.2
325.25485	1.1
327.23346	0.9
337.25214	1.5
353.24796	1.0
407.33694	1.0
417.31421	4.5
435.32687	12.4
453.33728	11.8
471.34799	6.5
491.35239	1.7
509.36786	4.8
527.37341	100.0
528.37787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88661	0.8
53.03937	2.9
55.01859	1.3
55.05513	16.3
57.03429	2.8
57.07058	1.4
65.03931	1.9
67.05505	31.8
69.03432	1.0
69.06744	1.1
69.07076	11.5
70.84875	2.3
71.04981	1.8
77.03941	1.4
79.05499	28.6
81.03419	19.5
81.07059	32.4
83.04980	3.6
83.08620	11.4
85.06554	1.4
91.05481	25.9
93.06489	1.5
93.07051	24.5
95.04971	8.5
95.08610	19.8
97.02882	1.4
97.06501	1.6
97.10156	5.5
99.08148	0.9
103.05459	1.4
105.04488	1.4
105.07034	18.5
107.04920	3.1
107.08605	12.2
109.06518	2.2
109.10162	9.5
111.08073	3.6
115.05441	2.4
117.07011	9.1
119.08575	13.8
121.06479	1.0
121.10149	9.1
121.85796	1.0
123.08037	1.7
123.11722	2.1
125.09652	3.1
128.06218	3.3
129.07027	10.8
131.08569	19.9
133.06540	1.3
133.10138	10.2
135.08102	1.0
135.11674	5.7
141.07001	2.9
142.07799	2.5
143.08572	16.2
145.10124	14.2
147.08096	1.1
147.11700	6.9
149.13234	2.3
154.07809	1.2
155.08565	7.1
157.10121	12.4
159.11703	9.2
161.13246	3.3
165.12718	1.4
166.07750	1.0
167.08612	2.0
169.10138	7.8
171.11690	8.7
173.13269	8.6
175.11212	2.9
175.14847	1.7
181.10123	4.6
183.11728	10.2
185.13257	7.0
187.14868	3.7
189.11232	2.1
193.10321	1.6
193.12277	9.0
194.10783	1.0
195.11699	4.9
197.13290	6.3
199.14790	4.4
201.16464	1.5
207.11728	1.4
209.13286	3.9
211.14896	2.4
213.16466	2.3
221.13297	2.6
223.14824	3.3
225.16508	2.6
235.14906	2.1
237.16434	1.4
243.21132	1.5
261.22198	3.7
295.20676	1.1
297.22000	1.3
299.23666	1.6
301.25171	1.6
309.22098	1.3
311.23608	1.1
323.23743	2.0
325.25183	1.1
327.22949	2.2
341.24817	1.5
417.31497	4.8
435.32520	15.9
453.33844	8.6
461.01819	1.0
471.34711	4.2
473.34265	1.0
491.35110	1.3
509.36371	6.4
527.37335	100.0
528.37708	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03953	3.2
54.78024	0.8
55.01872	2.1
55.05244	0.8
55.05513	14.6
57.03439	3.6
57.07072	2.0
65.03934	1.7
66.52278	0.8
67.05509	28.7
69.03432	1.2
69.07072	11.0
71.05008	2.2
77.16175	0.8
79.05149	0.6
79.05502	21.8
81.03419	4.9
81.07066	25.5
83.04989	1.9
83.08629	6.0
85.06557	1.3
89.06045	1.7
91.05489	19.6
93.07050	22.2
95.04975	3.0
95.08618	17.0
97.06553	2.8
97.10183	3.2
98.21574	1.5
103.05522	1.1
105.07036	22.7
105.07696	1.4
107.04958	1.5
107.08608	12.8
109.06551	2.3
109.10169	8.7
111.08102	2.0
115.05467	1.0
117.07031	13.5
119.06165	0.9
119.08588	14.9
121.10156	7.4
123.08076	1.3
123.11723	1.0
125.09641	2.2
128.06207	3.2
129.07022	11.0
130.07825	1.0
131.08580	21.9
131.09544	1.3
133.10152	9.6
135.11688	4.7
137.09618	0.9
137.13237	0.8
141.07024	3.8
142.07793	2.8
143.08565	16.3
145.10132	17.5
147.11702	6.1
149.13287	2.4
153.07028	1.3
154.07808	1.6
155.08563	10.3
156.09323	1.2
157.10152	14.9
159.11716	9.5
161.13258	2.4
163.11270	1.4
165.06917	1.0
167.08603	4.4
168.09370	1.3
169.10132	10.9
170.11009	1.2
171.11707	11.9
173.13251	5.6
175.11256	1.4
179.08572	0.9
181.10138	7.2
183.11725	13.1
184.65587	0.9
185.13286	9.2
187.11292	1.2
187.14862	3.4
193.12393	1.4
195.11673	5.1
197.13287	7.6
199.14828	4.0
201.16489	1.5
205.10126	0.8
205.15926	1.0
207.11742	2.0
209.13269	3.9
211.14734	3.9
213.16463	1.9
215.14261	1.0
217.15736	0.9
221.13345	2.0
223.14890	3.6
225.16455	2.7
235.14841	1.8
237.16339	1.9
239.18048	2.0
241.19662	1.2
248.36815	0.8
249.16377	1.6
259.20590	1.9
265.19650	0.9
279.44781	0.9
283.20590	1.2
295.20636	1.0
297.22366	1.9
299.20120	1.6
299.23557	0.8
309.22159	1.0
311.23709	1.2
315.23279	1.9
323.23737	2.0
327.23035	1.7
337.25217	1.5
341.24490	1.3
349.25162	1.0
379.26144	1.0
398.84656	1.0
407.33167	1.5
417.31653	6.0
435.32635	17.1
453.33774	10.6
471.34796	4.2
473.34109	2.0
491.35214	1.8
509.36136	8.3
518.55853	1.1
527.37329	100.0
528.37646	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	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01860	2.9
55.05513	17.9
57.03429	3.1
57.07057	1.4
59.04980	1.6
65.03941	1.7
66.07895	0.9
67.05506	35.6
69.03414	1.5
69.07070	11.6
71.04980	2.5
75.25060	0.9
79.05492	29.1
81.03420	18.9
81.06591	1.9
81.07055	28.7
83.04981	3.9
83.08628	9.6
85.06535	1.8
88.06396	0.8
91.05479	28.2
93.07045	27.0
95.04974	8.4
95.08614	21.1
97.06529	3.5
97.10161	5.9
98.20704	1.7
99.08060	1.2
100.63792	0.9
102.02624	0.9
105.04501	1.7
105.07036	23.6
107.04971	4.8
107.08586	15.0
108.62788	1.0
109.06512	2.6
109.10149	9.5
111.08067	3.4
113.35146	0.9
115.05391	1.0
117.07022	8.8
119.08581	18.4
119.09373	1.4
121.06505	1.3
121.10143	12.1
122.93730	0.9
123.08044	1.5
123.11710	2.2
125.09628	3.0
125.73199	0.9
128.06190	3.2
129.07004	12.5
131.08568	20.5
133.10130	11.5
135.11659	6.0
137.09615	1.4
141.07025	3.8
142.07780	3.6
143.08568	10.7
145.10147	15.1
147.11696	10.6
149.09636	1.2
149.13220	2.1
154.07727	1.0
155.08557	6.8
156.09305	1.3
157.10127	13.6
159.11690	8.8
161.13249	2.3
163.11176	1.9
167.08632	2.1
169.10097	7.3
171.11716	7.9
172.12172	1.1
173.13263	6.2
175.11221	4.7
175.14955	1.1
179.08577	1.4
181.10109	5.3
183.11694	8.3
185.13242	6.2
187.14868	2.3
193.10550	1.5
193.12239	9.3
195.11694	3.9
197.13228	7.0
199.14848	3.6
209.13235	3.5
209.15196	1.0
211.14864	4.6
213.12689	1.5
213.16428	1.4
221.13322	2.1
223.14789	3.1
225.16360	2.2
227.18018	1.8
237.16466	2.2
239.18034	1.5
261.22278	2.7
265.19199	1.1
281.19022	1.1
283.20657	1.8
297.22183	1.2
311.23672	2.7
315.23138	1.2
317.24893	1.0
323.23688	1.8
341.24716	1.2
417.31570	4.6
435.32513	15.2
453.33685	9.5
471.34616	4.1
471.44809	1.0
473.34048	1.2
491.35068	1.7
509.36606	7.6
527.37305	100.0
528.37683	3.8
547.17645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75175	0.7
53.03931	2.0
55.01854	2.0
55.05511	14.8
57.03445	4.6
57.07067	2.7
58.77954	0.6
61.42806	0.6
65.03934	1.4
67.05508	30.2
69.03405	0.8
69.07068	12.5
69.46498	1.8
69.46923	2.7
71.04971	2.4
71.08627	0.9
79.05498	21.5
81.03399	2.1
81.07058	29.7
83.04964	1.9
83.08621	6.9
85.06536	1.4
88.07610	0.8
90.77025	0.7
91.05490	26.7
93.06490	1.3
93.07047	19.7
93.21207	0.6
95.04986	3.3
95.08608	19.5
97.06516	2.2
97.10160	4.3
99.08107	0.8
103.05425	0.7
105.07036	21.5
105.37909	0.6
107.04945	0.7
107.08598	13.9
108.16880	0.7
109.06520	1.1
109.10160	9.0
111.08066	1.5
115.05457	2.5
117.06257	0.7
117.07025	12.9
119.08584	15.9
121.06482	0.9
121.10146	9.1
123.08095	1.6
123.11698	2.8
125.09645	1.9
128.06242	3.4
129.07013	15.8
130.07788	0.8
131.08572	20.6
133.10130	13.0
135.08018	0.9
135.11693	5.1
137.09544	1.3
139.11234	0.9
141.06973	5.1
142.07780	3.7
143.08565	18.0
144.09343	0.9
145.06506	1.0
145.10124	19.5
147.08025	1.5
147.11679	8.1
149.09616	2.0
149.13289	3.1
151.11224	1.2
153.06985	1.2
154.07750	1.1
155.08557	12.7
156.09317	2.1
157.10144	18.6
159.11693	12.6
161.09637	1.6
161.13234	2.6
163.11115	1.0
167.08522	4.2
168.09373	1.5
169.08629	0.7
169.10115	13.4
170.10783	0.7
171.08037	1.2
171.11697	13.3
172.65361	0.7
173.13272	8.3
175.11195	1.4
175.14850	1.4
179.08560	3.3
181.10143	6.3
183.11702	12.5
185.13272	10.5
186.13928	0.8
187.14862	3.1
193.10159	2.0
194.10829	0.7
195.11717	6.1
196.12531	0.8
197.13248	11.0
199.14835	6.0
201.16434	1.7
205.10277	1.0
207.11684	2.8
209.13271	5.5
211.14801	5.8
213.12761	0.8
213.16438	3.3
221.13242	2.3
223.14893	3.9
225.16402	2.7
227.17995	1.2
233.13315	0.9
235.14752	2.3
237.16382	1.8
239.14011	0.7
239.18079	1.3
240.81339	0.8
241.15823	0.9
241.19630	1.1
249.16336	1.2
251.18118	0.9
256.26358	1.9
257.19104	1.0
257.26648	1.8
259.20612	1.9
261.21808	0.8
269.18936	1.2
283.20505	1.6
285.18655	0.8
287.20056	1.0
293.22565	1.0
295.20575	0.8
297.22144	1.9
309.22061	1.6
311.23599	1.4
315.23132	1.5
321.22098	0.9
323.23636	2.2
325.21631	1.3
325.25232	1.2
327.23242	1.4
337.25302	2.1
339.23093	1.1
341.24600	1.3
347.23828	1.1
349.25302	1.4
361.25012	0.9
365.24582	0.8
367.26398	1.5
371.25931	0.7
379.26193	1.3
407.33334	0.9
407.56918	0.8
417.31522	5.6
425.33627	0.8
435.32584	18.3
453.33701	7.3
453.79053	0.7
471.34738	3.3
473.34006	1.8
491.35461	1.2
509.36288	10.7
527.37244	100.0
528.37439	1.8
551.58734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01865	2.9
55.05511	16.1
57.03420	3.1
57.07056	1.6
65.03951	2.0
65.84784	0.9
67.05508	32.8
67.92623	1.1
69.03413	1.3
69.07066	11.6
70.69245	2.7
71.04991	2.2
73.92502	1.1
77.03928	1.4
79.05073	2.0
79.05495	27.9
81.03419	15.0
81.07058	27.1
83.04980	3.7
83.08630	6.0
85.06525	1.2
91.05486	26.9
93.06493	1.7
93.07050	26.7
93.07637	1.3
95.04984	6.0
95.08613	19.2
97.06537	3.1
97.10165	5.7
98.21169	2.1
103.05451	2.0
105.04510	1.8
105.06326	1.3
105.07044	23.3
107.04952	2.5
107.08615	14.4
109.06509	2.3
109.10148	7.1
111.08083	1.5
115.05457	1.6
117.07008	13.5
119.08587	17.3
121.06522	2.1
121.10161	10.1
123.08100	1.4
123.11688	1.8
125.09652	2.6
128.06223	4.4
129.07011	13.6
131.08563	19.9
133.10130	11.5
135.11705	6.0
141.06990	4.4
142.07825	3.3
143.08583	14.6
145.10115	16.7
147.08038	1.5
147.11716	8.1
148.42290	1.0
149.09688	1.6
149.13234	2.7
154.07771	1.8
155.08575	8.0
157.10146	16.1
159.11703	12.7
161.13269	2.7
167.08586	3.3
169.10126	12.8
171.11658	9.5
171.12766	1.0
173.11871	1.8
173.13197	6.9
173.14584	1.1
175.11171	1.7
175.14798	1.0
181.10144	7.1
183.11691	9.9
183.69156	1.1
185.13232	9.3
187.14813	2.4
193.10318	1.7
193.12263	7.5
195.11699	4.2
197.13290	9.0
199.14868	6.5
207.11716	1.9
209.13336	4.0
211.14816	3.3
213.16502	1.9
221.13228	2.1
223.14873	3.3
225.16476	2.7
227.18166	1.4
235.14738	1.5
237.16389	2.2
239.17953	1.7
241.19684	1.3
251.18015	1.1
261.22186	2.6
273.89090	1.0
283.20685	2.1
287.20178	1.1
305.22763	1.3
309.22290	1.5
311.23721	1.4
323.23813	2.0
325.21497	1.4
329.24835	1.2
335.23724	1.3
353.24738	1.1
355.26334	1.2
382.02133	1.1
417.31479	5.4
435.32645	17.3
453.33618	8.8
471.34549	3.0
509.36389	8.5
527.37347	100.0
528.37531	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	2.2
55.05516	17.4
57.03436	2.9
57.07083	1.4
57.70849	0.7
63.47421	0.7
65.03946	1.5
67.05509	30.0
69.07069	11.6
69.72700	1.3
69.72975	4.4
71.04997	2.3
73.54310	0.7
79.05495	23.5
81.02942	0.9
81.03420	12.8
81.07062	28.8
83.04983	3.0
83.08626	10.1
85.06538	1.7
91.05486	24.5
93.07048	21.7
95.04964	6.2
95.08615	18.2
97.06535	3.7
97.10181	5.1
99.08118	1.3
105.07040	23.3
107.04967	2.4
107.08599	11.7
109.06541	2.0
109.10163	9.5
111.08098	1.8
115.05462	2.1
117.07020	11.0
119.08588	16.4
121.10146	9.7
123.08064	1.5
123.11721	2.5
125.09634	2.8
128.06262	3.3
129.07005	12.6
130.07739	1.5
131.08577	24.2
133.06558	1.0
133.10127	10.0
133.42200	0.7
135.08101	1.2
135.11693	5.1
137.09682	1.6
139.11206	0.8
141.06979	3.7
142.07799	3.6
143.08572	15.8
145.10124	19.1
147.11700	6.6
149.09650	2.3
149.13290	2.2
155.08597	9.5
156.09361	1.1
157.10146	15.5
159.11691	11.5
161.13268	4.1
163.11272	0.9
163.14891	1.1
167.08582	3.7
168.09372	1.8
169.10118	11.4
171.11697	13.4
173.13254	8.5
175.11180	3.8
175.14735	1.5
179.08644	1.8
181.10097	4.8
183.11687	11.2
185.13237	7.4
187.14828	3.7
189.11284	1.1
193.10277	1.8
193.12291	5.8
195.11739	5.1
195.13362	1.0
197.13248	10.1
199.14816	6.0
201.16397	1.4
207.11795	1.1
208.16725	0.9
209.13283	4.6
211.14879	5.7
213.16498	2.6
219.11760	0.8
221.13313	2.4
223.14867	4.1
223.54826	0.8
225.16452	3.0
227.17972	1.2
235.14819	1.7
237.16405	2.4
243.17383	0.7
243.21062	0.9
251.18077	1.5
261.22214	2.2
282.98288	0.9
283.20728	1.5
297.22256	0.9
299.20013	0.9
305.31479	0.9
307.20590	1.0
309.22296	2.0
311.23886	1.5
317.24869	1.2
323.23734	1.1
327.23172	2.1
335.23590	1.0
339.23312	1.1
339.27148	0.9
341.24841	1.4
349.25323	0.9
379.26260	0.8
399.29709	0.8
401.26978	1.0
407.32932	1.2
417.31540	7.7
435.32596	16.6
453.33618	9.7
471.34729	3.7
472.03293	0.8
473.34378	1.3
491.35443	2.4
509.36252	9.0
527.37372	100.0
528.37842	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	526.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12684	2.0
53.03933	2.9
55.01868	6.4
55.05507	6.9
57.03449	19.3
57.07077	5.4
59.05003	3.1
60.61040	1.9
61.02928	13.3
67.05515	9.9
69.03432	49.8
69.07068	4.4
70.52698	6.5
71.01354	3.3
71.04992	1.8
73.02512	4.0
73.02921	69.7
79.05498	2.7
81.03413	8.5
81.07066	27.6
83.08615	11.3
85.02910	100.0
87.04471	14.1
91.03959	3.1
91.05486	1.9
93.07037	2.9
93.89740	2.1
95.08616	37.4
97.02905	82.2
97.10168	10.3
99.04456	4.9
100.11274	3.5
103.03978	4.2
107.99246	1.9
109.02893	11.3
109.10165	43.9
115.03936	42.6
115.11195	2.2
121.10172	2.4
123.11716	47.1
127.03929	37.4
133.04979	53.9
137.05946	3.6
137.13274	18.7
139.14917	2.2
145.04971	59.3
150.07623	3.4
163.03940	4.3
163.06038	22.9
177.16377	4.1
179.17972	42.3
193.04942	3.9
197.19020	51.8
223.06126	9.5
241.07069	10.5
259.08090	10.9
263.08139	4.8
293.21060	3.1
295.10422	2.8
311.22263	3.2
329.23303	3.6
359.24338	4.9
365.14960	3.7
377.25415	3.4
526.18530	4.8
527.19922	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	525.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95279	1.0
53.03946	3.8
55.01871	2.1
55.05515	16.1
57.03444	1.4
57.07080	48.4
59.05000	1.1
65.03943	3.2
67.05509	87.3
68.05807	1.1
69.03413	1.5
69.07070	17.4
69.17888	6.9
69.18306	4.0
71.05000	61.7
71.08635	31.9
79.05499	21.6
81.03417	3.2
81.06591	2.0
81.07066	34.7
82.77064	1.0
83.04990	11.2
83.08624	18.6
85.06546	4.5
85.10188	17.8
87.04487	1.6
89.06034	2.4
91.05485	28.0
93.07052	25.7
95.04987	3.5
95.08615	39.6
97.06517	6.6
97.10162	6.9
98.20747	2.4
99.11760	1.3
99.55251	1.0
105.07050	4.8
107.08598	11.9
109.10165	66.3
111.08129	2.1
111.11684	1.5
117.07040	4.0
119.07813	1.9
119.08591	21.1
121.10172	5.2
123.11736	5.8
129.07018	1.1
131.08618	2.0
133.08650	1.5
133.10144	2.2
135.11703	19.9
137.09634	28.2
137.13264	2.1
145.10139	6.9
155.10664	6.4
163.11224	5.0
169.12244	9.5
173.11795	4.6
181.12225	6.5
221.22731	1.8
239.23779	9.3
243.16032	2.5
255.15901	1.9
269.17563	4.3
271.15506	4.3
313.27499	2.8
327.29059	1.9
339.29037	2.1
341.26843	4.7
383.60843	1.2
463.40182	1.2
481.38913	33.6
493.39020	2.0
525.41602	100.0
526.41895	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	525.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30277	1.0
53.03948	2.8
55.01875	1.2
55.05275	1.5
55.05515	19.8
57.07081	20.9
65.03930	2.9
67.05511	78.7
69.07070	23.7
71.04999	13.1
71.08638	16.7
71.43594	0.9
79.05500	26.2
81.03436	1.1
81.07062	100.0
83.04978	3.9
83.08630	16.6
85.06554	6.4
85.10195	6.3
89.06026	3.8
91.05481	19.6
93.06492	1.9
93.07047	26.7
95.04968	3.0
95.08615	97.3
97.06543	5.5
97.10182	11.0
99.08092	3.5
105.07040	12.9
107.08605	16.4
108.16560	1.2
109.06514	1.4
109.10164	45.2
111.08094	4.5
111.11728	3.4
117.07030	2.9
119.08585	14.6
121.10155	21.9
123.08096	1.6
123.11709	14.9
125.09636	3.0
131.08580	7.1
133.08612	2.1
133.10135	8.8
135.05008	1.4
135.08080	2.0
135.11713	17.6
137.09615	5.1
137.13255	8.6
139.11162	2.6
143.08574	1.2
145.10156	6.2
147.11702	12.6
149.09653	3.1
149.13271	7.3
151.11198	1.9
151.14841	2.7
157.10170	1.6
159.11711	4.7
161.13316	10.5
163.11211	1.2
163.14818	3.9
165.12732	3.3
173.11920	1.4
173.13316	4.7
175.14815	2.5
177.12764	1.9
177.16319	2.4
179.14291	4.1
181.12239	1.2
187.14769	2.6
195.13835	2.6
211.20569	5.8
223.17038	1.7
229.35516	1.3
237.18474	1.7
243.21132	8.0
261.22189	17.7
268.28259	1.2
272.12939	1.1
279.23184	23.6
294.36624	0.9
297.24332	1.8
481.38916	3.7
525.45752	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	525.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01866	3.1
55.05281	1.1
55.05516	15.4
56.03221	0.9
57.03425	3.6
57.07061	1.3
65.03931	2.1
66.94459	0.7
67.05511	24.8
69.07070	11.9
70.93770	1.7
71.04983	2.6
79.05496	19.4
81.03392	0.8
81.06591	1.5
81.07058	22.3
83.04992	2.1
83.08621	6.8
85.06546	1.5
91.05489	20.6
93.07046	15.6
95.04963	1.9
95.08608	15.8
95.40041	0.7
97.06540	2.7
97.10166	3.3
99.08100	1.2
105.07034	16.9
107.08580	8.5
109.06550	1.2
109.10158	6.7
109.34886	0.8
111.08087	1.5
115.05460	2.7
117.07015	9.5
119.08593	12.3
121.10139	5.7
123.08090	2.8
125.09628	2.3
128.06239	5.4
129.07014	16.2
130.07808	1.1
131.08566	16.5
133.10124	9.6
135.08060	1.5
135.11681	3.2
137.09653	1.1
139.11194	1.1
141.06996	9.7
142.07805	5.8
143.08572	19.1
145.06412	1.2
145.10130	13.6
147.11690	4.0
153.07030	3.2
154.07785	3.8
155.08562	20.4
155.09732	1.5
156.09326	2.9
157.10143	18.7
159.08177	1.0
159.11696	9.0
161.13211	1.4
165.07050	3.7
166.07796	2.0
167.08578	11.6
168.09349	3.6
169.10121	22.4
169.11560	1.1
170.10883	1.5
171.08047	1.8
171.11708	12.6
173.09637	1.5
173.13257	4.7
175.11241	1.9
175.14757	1.1
177.12637	0.9
178.07872	1.1
179.08517	4.7
180.09393	1.9
181.10130	14.4
182.10939	2.8
183.11700	18.4
185.13258	10.1
187.11247	0.9
187.14883	1.5
191.08656	1.6
192.09331	1.2
193.10162	5.4
193.12148	0.9
194.10915	1.8
195.11697	16.2
196.12459	1.0
197.13263	12.4
199.11411	1.3
199.14876	5.8
205.10165	2.5
207.11671	6.9
209.13295	12.9
211.11311	0.9
211.14893	7.2
213.12936	0.9
213.14726	1.2
213.16519	1.6
219.11711	3.5
221.13260	7.2
223.14838	7.0
225.16426	3.2
233.13306	3.6
235.14847	4.6
237.16455	2.8
239.17987	1.7
241.19606	1.1
245.13264	1.1
247.14917	3.6
249.16440	3.1
251.17969	1.6
253.19571	1.0
261.16394	2.3
263.18018	1.7
271.17148	1.1
275.18036	1.5
277.19403	2.0
279.17352	1.9
281.18991	1.9
283.20361	1.0
285.18680	1.4
290.95703	0.8
291.21091	1.3
295.20779	2.2
297.18652	1.2
297.22113	1.0
299.20233	1.3
303.21063	1.1
305.22845	1.1
307.20718	2.1
309.22189	2.3
311.20087	1.3
313.21817	1.2
321.22238	3.6
323.23846	2.5
325.21786	1.5
327.23071	1.3
333.21991	1.2
335.23685	3.3
339.23163	4.2
339.91180	0.9
347.23837	1.2
351.23212	2.1
353.24872	3.6
359.23917	1.0
365.24771	2.0
367.26352	1.4
377.52484	0.9
405.31833	2.0
415.30029	9.2
423.33084	1.7
427.28540	1.4
433.31049	30.1
451.32129	13.8
451.38068	1.6
469.33270	5.6
471.32895	1.9
489.33643	3.8
507.34732	17.8
514.47998	1.0
516.46130	1.0
525.35797	100.0
526.36053	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	525.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.3
54.09614	3.3
55.01881	19.7
55.02090	3.3
55.05279	3.5
55.05517	48.6
57.03424	13.2
57.07074	7.8
59.05009	18.8
64.18357	3.8
64.22320	3.9
65.03928	6.0
67.05506	95.0
69.03413	11.2
69.07069	27.8
71.04992	34.7
71.47844	3.4
73.02938	4.9
79.05493	90.8
81.03432	58.1
81.06594	6.3
81.07061	100.0
83.04989	27.4
83.08621	33.0
85.02895	14.3
85.06522	11.4
89.42331	4.1
91.05486	89.6
93.07043	77.0
95.04965	38.6
95.08611	46.8
97.02866	8.6
97.06522	19.9
97.10199	19.2
105.07037	53.0
107.04985	22.6
107.08594	47.4
109.06531	11.7
109.10168	19.5
109.93779	3.7
111.04443	15.7
111.08117	20.6
115.05449	4.9
117.07033	11.7
119.08592	34.9
121.06524	16.9
121.10144	59.0
123.04436	7.0
123.08066	9.7
125.05972	4.5
125.09635	12.9
129.06979	16.6
131.08551	32.1
133.06451	6.7
133.10123	30.5
135.04428	7.1
135.08043	14.1
135.11682	16.7
137.09592	7.8
139.07518	6.6
141.07024	3.9
142.07907	6.7
143.08575	8.8
145.10149	16.9
147.08142	4.4
147.11707	30.3
149.09608	41.7
153.09048	5.3
153.12752	9.0
155.08563	4.8
157.10118	23.4
159.11673	8.5
163.07532	6.0
163.11200	24.5
165.09174	3.9
165.12744	7.5
169.10213	4.1
173.09608	6.4
175.11180	26.2
181.12241	10.1
187.11176	4.8
189.11249	8.3
191.10661	6.0
193.12260	49.1
199.13293	9.5
205.12146	7.2
209.11784	9.6
211.13306	78.9
225.14839	16.1
227.12791	17.8
231.13780	5.4
249.14868	13.4
259.15353	7.6
267.15900	8.0
283.15317	6.6
304.03845	4.1
355.22842	5.3
365.21109	6.3
373.23907	4.6
383.22134	14.8
401.23276	16.6
419.24326	4.9
433.25790	13.4
447.27286	7.0
457.25723	4.6
475.26743	16.6
493.28262	24.3
507.29538	43.8
525.23828	5.4
525.30627	47.8
535.84180	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	524.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
59.37764	1.4
61.02945	3.1
65.03947	5.5
65.11524	1.6
65.21243	1.5
69.03441	2.9
71.48025	1.9
71.48412	1.9
73.02917	1.6
73.82098	1.5
79.05487	4.4
81.03407	7.1
81.07068	3.2
83.08619	2.3
85.02922	9.3
91.04002	1.5
91.05487	11.2
93.03428	8.8
93.07028	3.1
95.04961	2.7
95.08595	2.6
96.57241	1.7
97.02887	3.9
97.06569	1.6
103.05439	2.1
105.07036	16.6
107.04980	3.8
107.08663	2.0
109.06504	1.7
111.04420	7.5
119.04943	4.2
119.08626	2.4
122.03673	4.3
125.06014	12.9
127.03956	2.7
129.06953	1.8
131.04987	3.0
131.08543	2.2
133.06506	14.4
137.05994	100.0
143.08588	6.9
145.04926	2.6
145.06506	5.0
151.03909	19.5
151.04967	2.6
151.07565	37.4
153.05492	29.7
159.08109	4.2
159.51591	1.5
162.06735	2.3
163.07587	2.8
165.09145	26.0
171.08093	11.3
173.06046	1.9
175.11058	1.6
177.09131	4.4
181.08620	4.1
188.08344	8.1
191.10703	2.6
193.08551	11.3
193.12291	2.2
203.10696	38.2
221.11749	52.5
244.20821	1.5
318.84363	1.5
327.15933	23.2
345.17007	32.6
427.08316	2.2
445.09619	4.4
524.29053	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	524.3718
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	1.0
56.05018	1.8
57.07076	3.3
57.19183	0.4
58.06610	1.5
59.07360	0.4
60.08166	17.7
67.05502	1.6
69.07063	1.0
71.07378	7.4
71.08643	2.3
79.05474	0.5
81.03423	1.0
81.07050	1.6
83.08614	1.1
85.10197	0.8
86.09708	51.7
91.05457	0.5
95.08622	1.7
97.10195	0.6
98.20739	0.8
98.98470	4.9
104.10745	100.0
105.07034	0.8
109.10194	0.8
121.10247	0.4
125.00008	31.4
163.01476	0.5
170.50960	0.4
183.64890	0.4
184.07346	94.8
185.07648	0.6
193.12262	0.8
194.12514	0.4
211.13287	0.7
212.13625	0.5
258.11072	0.7
264.24283	0.4
341.30624	2.1
410.94250	0.4
442.06210	0.4
488.67444	0.5
506.36127	8.7
524.37054	28.3
525.36963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.03441	2.8
61.02907	2.3
65.03922	4.5
67.05501	2.4
69.03442	2.5
69.07069	2.1
70.11885	1.7
70.12227	5.4
73.02903	1.4
73.76321	1.3
79.05489	4.7
81.03423	8.0
81.07057	3.1
81.98303	1.3
82.03801	1.4
83.08598	2.0
85.02905	8.6
91.05497	7.4
93.03417	8.2
95.04960	4.0
97.02875	6.2
100.33418	1.4
101.02380	1.6
103.05455	2.6
105.07044	13.1
107.04956	3.4
108.08182	1.3
109.06551	1.8
111.04463	6.6
119.04939	5.9
119.08644	1.3
121.06498	2.6
122.03662	3.1
125.05981	14.6
127.03905	2.5
131.08524	1.6
133.06487	12.1
133.10103	1.8
137.05983	100.0
141.13313	1.3
143.08574	5.8
145.06470	3.3
151.03903	21.7
151.07549	43.8
153.05473	33.7
159.08023	4.0
161.09741	1.9
162.06787	1.9
163.03891	1.4
163.07486	1.6
165.09123	29.7
171.08040	11.6
177.09166	1.8
181.08577	2.6
188.08348	9.3
189.09010	2.2
191.10667	4.1
192.99222	1.4
193.08643	4.2
193.12199	2.5
203.10677	46.3
209.07785	1.3
221.11731	63.0
244.98813	1.5
267.15854	2.2
295.13150	2.4
327.15961	25.6
345.16971	37.7
423.59360	1.6
445.09360	4.2
489.90707	1.7
524.29102	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	524.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.96558	0.6
55.01874	1.4
55.73017	0.5
57.03420	0.9
58.92677	0.5
62.32383	0.5
65.03928	0.9
67.05515	0.7
69.07044	0.6
69.99229	2.7
79.05495	5.3
81.07050	0.9
83.04996	0.5
85.02915	1.5
90.71526	0.6
91.05495	4.5
93.03398	1.2
93.07056	0.9
95.04967	1.3
95.08569	0.6
97.02887	0.7
98.20801	1.0
100.11259	1.3
103.05487	4.1
105.07043	24.4
106.04210	0.6
107.04939	2.6
109.06515	0.8
111.04453	0.7
115.05473	1.2
117.07008	0.8
118.04150	2.7
119.04935	1.1
121.06552	2.9
122.03646	0.6
122.07256	0.9
125.05987	2.2
128.06264	0.6
131.04941	1.5
133.06500	18.0
135.04420	1.4
135.08064	2.6
137.05981	14.8
143.08560	1.2
148.05222	0.7
149.05980	1.7
150.06775	7.7
151.07568	4.1
153.05463	3.4
161.06020	0.7
163.03900	0.8
165.09125	16.7
167.07114	1.3
171.08046	1.5
177.05505	1.7
177.09180	0.6
181.08624	1.2
193.08618	100.0
203.10712	3.1
209.08112	5.4
221.11649	2.9
223.04312	3.6
327.15820	2.1
327.25177	0.7
345.16855	1.1
353.14142	0.6
424.61459	0.7
433.35757	0.7
524.29474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01871	0.9
65.03924	0.7
67.05499	0.9
69.03418	0.6
69.22306	4.3
69.22707	0.9
79.05492	6.3
80.54083	0.6
81.07097	0.8
82.22427	0.5
85.02907	0.7
91.05507	3.4
92.06260	0.6
93.07068	1.1
103.05488	4.4
105.07037	23.5
106.04174	1.4
107.04941	4.0
109.06476	0.7
110.16570	0.6
115.05463	1.2
118.04179	3.8
119.04991	0.8
121.06508	2.4
122.07261	1.6
131.04904	1.0
132.05702	0.9
133.06497	18.3
134.07231	0.9
135.04408	1.5
135.08055	3.4
137.05980	7.9
148.05171	1.1
149.05969	2.8
150.06790	9.1
153.09085	1.0
165.09120	15.9
167.07089	1.5
177.05463	2.2
178.06139	1.4
181.08603	1.1
190.00845	0.6
191.27681	0.6
193.08615	100.0
194.08946	0.8
206.37154	0.6
209.08118	7.8
223.04308	4.6
313.10391	0.6
524.29248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	1.3
55.05278	0.9
55.05519	13.8
57.03444	5.5
57.07082	35.8
63.10422	0.5
65.03949	1.0
67.05511	24.1
69.03425	2.2
69.06728	1.0
69.07072	11.6
69.21627	2.8
69.22053	2.3
69.50056	0.6
71.04999	3.4
71.08640	28.5
77.36646	0.5
79.05078	0.9
79.05501	12.5
81.03426	36.9
81.07066	30.2
81.36488	0.6
83.04988	7.2
83.08625	25.9
84.24664	0.6
85.02912	20.5
85.06549	1.4
85.10191	16.2
88.96405	0.5
91.05486	18.3
93.07049	10.6
93.89375	0.6
95.04971	15.0
95.08616	28.1
97.02880	2.2
97.06544	2.0
97.10190	7.7
98.20728	1.0
99.08114	1.2
105.07038	13.6
107.04969	4.0
107.08596	4.7
109.06525	2.0
109.10166	11.5
111.04456	1.7
111.08096	7.5
111.11697	1.3
113.06039	1.2
115.05466	0.8
117.07022	0.8
119.07795	1.1
119.08588	11.2
121.06522	1.1
121.10154	5.4
123.08099	0.8
123.11720	5.8
125.09616	1.1
125.13309	0.7
128.06218	0.5
129.07011	6.9
131.08603	6.7
133.06493	1.8
133.10141	5.6
137.09633	1.0
137.13260	2.1
142.07791	2.1
145.10159	1.5
147.08061	1.7
147.11690	10.4
149.09659	4.0
151.07623	0.6
151.14899	0.7
157.10153	7.7
165.12782	1.7
175.11186	9.7
175.12558	0.9
193.12257	41.8
211.13307	47.3
221.22673	0.9
239.23706	8.0
249.14940	1.0
267.15906	5.0
275.94928	0.6
285.17093	1.0
312.15454	0.6
313.27417	4.9
458.74252	0.6
479.94275	0.6
505.38803	2.4
523.39978	100.0
524.40100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.05518	12.5
57.03444	6.7
57.07078	39.8
65.03916	1.4
67.05508	25.9
69.03430	2.2
69.07074	12.8
70.74004	3.3
71.04987	2.9
71.08635	30.8
74.41445	1.1
79.05500	16.6
81.03422	41.1
81.07058	39.7
83.04980	7.6
83.08626	23.9
85.02907	20.8
85.10185	14.9
91.05486	17.6
93.07049	10.5
95.04977	14.3
95.08610	28.6
97.06522	2.4
97.10173	7.3
105.07030	15.4
107.04958	2.1
107.08628	3.0
109.06535	3.0
109.10165	12.9
111.04471	1.9
111.08070	8.1
113.06010	2.3
119.08571	12.0
121.10156	6.4
123.11693	6.7
125.13245	1.5
126.78398	1.2
129.07011	7.6
131.08597	4.8
133.06540	1.8
133.10165	4.5
137.13295	2.0
142.07779	1.5
147.08075	1.6
147.11644	7.6
149.09650	3.0
157.10130	8.4
157.11714	1.1
165.12811	1.8
175.11172	9.2
179.54860	1.1
187.57355	1.2
193.12262	41.4
211.13300	45.5
211.15302	2.5
239.23715	8.9
267.15842	8.1
313.27475	5.4
505.38907	2.3
523.39984	100.0
524.40479	2.4
544.78528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01865	2.1
55.05520	15.2
57.03439	8.9
57.07081	45.8
63.75519	1.2
65.03925	1.7
67.05509	30.6
69.03426	2.3
69.07072	11.4
69.45415	5.1
69.45845	4.8
71.04998	3.9
71.08636	32.5
79.05500	18.6
81.03426	44.5
81.07059	37.0
83.04977	6.4
83.08624	28.7
83.50550	1.4
85.02912	25.0
85.06540	2.5
85.10191	17.6
91.05485	21.9
93.07041	10.7
95.04979	17.2
95.08617	32.5
97.02907	3.0
97.06539	2.7
97.10197	9.5
98.20731	1.9
99.08153	1.3
105.07036	16.3
107.04965	4.3
107.08612	4.9
109.06532	4.7
109.10163	15.6
111.04446	2.3
111.08073	8.1
113.06017	2.3
119.08587	15.9
121.10156	7.0
123.08055	1.5
123.11689	7.7
129.07002	7.3
131.08575	8.1
133.06522	3.0
133.10114	6.4
137.09676	1.6
137.13264	2.1
142.07817	2.2
147.11678	9.8
149.09654	3.6
157.10152	9.8
165.12817	3.4
175.11211	11.9
179.17996	1.5
193.12265	50.1
204.40446	1.3
211.13309	56.0
239.23793	6.7
267.15970	5.7
313.27399	6.0
337.75360	1.4
374.27750	1.3
405.75470	1.5
505.38773	3.6
523.40015	100.0
524.40393	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
53.75143	0.8
55.01872	2.5
55.05509	17.7
57.03437	8.8
57.07078	50.4
64.36492	0.8
65.03952	2.3
67.05506	35.4
69.03417	2.9
69.07070	12.8
69.18710	1.6
69.19045	9.6
71.04981	3.8
71.08632	32.2
72.17216	0.8
79.05494	20.0
81.02931	2.3
81.03417	45.9
81.07057	41.1
81.07537	2.1
83.04984	8.6
83.08620	32.3
85.02908	23.3
85.06535	2.5
85.10181	17.3
91.05483	23.1
93.07040	13.2
95.04970	18.8
95.08605	35.1
97.02885	1.6
97.06533	2.4
97.10191	7.6
99.08089	1.2
103.05514	1.0
105.07033	17.4
107.04945	3.2
107.08595	5.6
109.06534	2.8
109.10156	14.1
111.04457	2.0
111.08054	7.9
111.11665	1.3
113.06036	2.7
117.06998	1.5
119.08577	13.6
121.06487	1.5
121.10136	7.3
123.08053	2.3
123.11715	7.2
129.06996	8.7
131.08582	7.4
133.06532	1.2
133.10132	7.6
135.11696	1.3
137.09621	1.5
137.13307	1.9
142.07808	1.5
145.10094	1.2
147.08070	1.6
147.11681	11.3
148.36304	0.9
149.09641	3.8
151.14896	1.3
151.79221	0.9
155.79938	1.0
157.10127	8.8
159.68185	1.0
165.12756	2.7
165.16391	1.3
175.11185	12.3
193.10440	1.6
193.12247	48.9
211.13290	50.8
239.23772	8.1
249.14754	1.2
267.15851	5.8
277.80859	1.0
285.17252	1.3
313.27417	7.7
505.38910	3.3
523.39954	100.0
524.40271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01880	4.8
55.05508	24.2
67.05503	33.2
67.67031	2.8
69.07063	13.2
69.46559	18.6
69.96165	2.9
79.04722	2.8
79.05493	27.6
81.03414	4.9
81.07065	50.5
83.04982	6.0
83.08618	13.9
91.05479	18.0
93.07023	14.8
95.04984	19.0
95.08606	12.3
97.10163	15.0
97.45836	2.9
98.20923	8.8
105.07023	20.1
107.04967	6.5
107.08588	18.5
109.06532	2.9
109.10157	15.6
111.04424	3.9
111.08057	5.8
117.07007	14.5
119.08587	18.7
121.06507	8.6
121.10146	9.3
123.08028	5.0
125.09643	12.0
129.01648	3.1
129.07030	5.7
131.08580	11.2
133.06476	4.2
133.10110	13.6
135.08060	6.7
143.08569	6.7
145.06369	3.6
145.10126	13.1
147.08020	11.8
149.09618	7.9
150.33067	3.0
151.11169	6.0
153.09109	4.1
157.10179	4.9
159.08063	5.2
159.11671	3.5
161.09648	5.3
163.11166	6.9
167.08488	3.0
169.10158	6.4
171.11728	4.5
173.09660	4.1
173.13248	2.9
175.11227	4.2
176.35248	3.0
178.87752	3.1
181.10135	5.6
181.12193	5.2
183.11696	5.0
189.11258	8.2
190.25797	3.2
195.11691	3.3
209.13313	4.8
223.13271	7.0
227.12697	4.3
249.15016	3.9
273.18546	20.8
291.19547	100.0
309.20761	5.2
431.29153	6.1
449.30383	8.6
523.34418	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.8
57.03431	17.3
57.07080	52.6
67.05492	27.7
67.78358	5.2
69.07076	11.4
69.28537	5.6
70.62739	15.5
71.08633	34.8
78.67101	5.6
79.05489	18.8
81.03423	100.0
81.07094	30.4
83.04980	7.5
83.08614	31.6
85.02905	8.4
85.10176	12.6
91.05477	27.4
93.07045	12.5
95.04968	22.4
95.08616	35.6
96.34746	5.0
97.10153	5.3
105.07027	19.7
109.10135	10.6
111.08090	6.9
119.08607	13.6
123.11723	6.7
129.07072	9.7
131.08591	11.0
133.10034	6.1
137.09692	5.4
147.11714	8.3
155.75914	5.0
157.10167	14.7
175.11157	9.6
184.07423	8.4
193.12234	61.7
200.61092	5.1
211.13354	20.3
239.23712	6.4
249.65723	5.4
267.15961	80.1
293.73511	5.6
313.27353	60.9
391.81509	5.6
449.00720	5.5
505.38901	43.4
523.39923	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	523.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57926	0.2
60.36150	0.2
63.49328	0.2
69.77250	1.3
77.60320	0.2
91.05479	0.3
103.05483	0.3
107.04966	0.4
115.05476	0.6
117.07019	2.3
132.08070	0.3
143.07320	1.6
144.08089	100.0
145.06487	0.3
145.08455	0.8
146.06174	0.3
155.06056	0.4
161.10748	15.9
163.03874	0.5
189.21437	0.2
199.06570	0.3
230.19995	0.2
232.60246	0.2
423.31381	0.2
508.60089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3562
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.35379	0.5
55.05504	1.9
56.05036	1.2
57.03434	0.6
58.06606	1.2
60.08169	17.9
67.05504	1.8
69.07077	2.6
70.10032	0.8
70.10440	1.5
71.07378	7.5
79.05521	1.0
81.07067	1.4
83.08620	1.2
86.09713	52.2
93.07053	1.0
95.08617	1.9
95.72982	0.4
97.10120	0.5
98.21471	0.5
98.98483	4.1
101.60295	0.4
104.10752	99.4
105.11120	0.5
109.10170	0.6
121.10143	0.6
123.62038	0.4
125.00016	28.8
134.56178	0.4
135.11772	0.5
145.06030	0.5
163.01544	0.8
184.07356	100.0
211.22290	0.5
220.76912	0.4
231.81042	0.5
258.11108	1.0
339.28952	1.5
504.34537	7.6
522.35541	26.0
523.35803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74434	0.1
55.05516	0.4
56.05029	0.6
56.09686	0.1
57.03449	0.1
57.07069	0.2
58.06640	0.4
60.08168	6.5
67.05515	0.3
69.07076	0.4
70.93932	0.3
71.07376	3.4
79.05519	0.2
80.97423	0.2
81.07053	0.5
83.08621	0.4
86.09708	32.4
87.10025	0.1
91.05499	0.2
93.07039	0.3
95.08611	0.4
97.06526	0.1
97.10168	0.2
98.98469	3.3
104.10750	3.1
121.10184	0.1
125.00008	22.6
143.01117	0.1
163.21718	0.1
184.07346	100.0
185.07733	0.7
258.10962	0.2
339.29013	0.2
412.45316	0.1
434.43726	0.1
437.40002	0.1
504.34744	1.0
522.35443	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90175	2.3
51.34328	2.2
52.43937	2.7
53.03939	5.8
55.01879	3.6
55.05510	16.5
56.05863	2.3
57.03436	6.3
57.07071	8.5
59.05010	2.3
60.08162	13.8
65.03944	4.2
67.05505	32.7
69.07063	14.8
71.01363	2.5
71.04978	3.4
71.07371	5.8
71.08646	5.2
71.49198	3.8
79.05495	29.2
81.03419	9.4
81.07058	36.7
82.07381	3.0
83.04971	9.7
83.08624	10.1
85.10188	4.6
86.09711	43.8
88.92321	2.7
91.05492	17.4
92.68467	2.4
93.07044	31.6
95.04964	10.5
95.08604	12.6
97.02958	3.0
97.06534	7.7
97.10168	8.1
99.40214	2.8
104.10742	77.3
104.11430	4.0
105.07033	14.0
107.04966	7.5
107.08620	16.7
109.06543	4.6
109.10182	4.4
111.04429	3.3
111.08057	3.5
117.07034	5.5
119.08609	12.2
121.06516	3.7
121.10147	11.4
123.04440	2.7
124.99992	26.6
125.09679	4.0
129.06995	5.5
131.08623	4.9
133.06485	3.4
133.10176	4.9
135.08060	14.7
135.11685	25.4
143.08528	3.3
145.06569	4.0
145.10135	10.2
147.08031	6.8
149.09615	3.3
153.12738	5.3
157.10156	3.2
159.08081	6.1
161.09608	2.9
163.07498	4.2
163.11176	19.8
175.07516	2.9
181.12282	11.2
184.07343	100.0
189.11127	2.9
191.10747	4.9
193.12262	30.6
209.11780	4.5
227.12811	3.6
271.16922	8.4
289.17993	72.1
307.19101	9.3
430.34338	3.3
469.29468	9.8
504.34756	8.0
505.37524	2.5
522.36493	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01856	2.7
55.05274	1.1
55.05512	12.6
57.03424	2.4
57.07077	29.0
65.03928	1.2
67.05508	25.2
69.03422	1.1
69.07064	11.5
69.29206	5.4
71.04971	1.4
71.08636	18.1
75.93958	0.7
79.05493	20.3
81.03401	2.5
81.07058	28.4
83.04959	3.3
83.08624	15.0
83.09115	0.8
85.02890	0.8
85.10180	8.1
91.05488	9.5
93.07053	30.7
95.04978	5.0
95.08609	42.7
97.02895	3.1
97.06505	3.3
97.10181	4.2
99.04463	4.1
99.11726	1.2
105.07040	8.2
107.04969	6.6
107.07891	1.3
107.08595	23.5
109.06487	1.5
109.10152	9.3
110.81326	0.9
111.04420	1.6
111.08063	0.9
117.07036	7.9
119.08569	7.9
121.06512	4.6
121.10155	9.0
123.08042	1.4
123.11687	2.9
125.05996	2.1
125.13291	0.8
129.06949	1.0
130.07777	2.4
133.10126	2.2
135.08043	2.3
135.11696	37.1
137.13278	1.2
139.86835	0.8
141.85049	0.9
143.08560	0.9
145.10123	21.2
153.12799	1.1
163.11185	51.5
170.28633	0.7
172.74496	0.8
181.12241	11.1
209.11674	3.8
222.04666	0.7
227.12791	100.0
228.13191	1.0
239.23642	3.8
267.74524	0.8
309.53622	0.7
441.29593	0.8
473.39017	0.8
521.38373	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01873	3.6
55.05273	2.4
55.05519	34.2
57.02080	1.5
57.03427	6.0
57.07087	14.0
59.04981	1.5
65.03915	2.8
67.05514	50.0
69.03430	2.8
69.07079	36.9
70.94839	3.1
70.95176	1.6
71.04986	5.1
71.08643	6.8
79.05501	30.8
81.03426	41.1
81.07064	51.5
83.04983	8.3
83.08628	36.4
85.02912	19.0
85.06542	2.1
85.10189	3.7
91.05490	26.1
93.07058	27.4
95.04989	19.4
95.08619	35.4
97.02918	1.9
97.06549	4.4
97.10180	14.0
105.07043	16.1
107.04962	5.4
107.08603	15.0
109.06560	2.7
109.10169	12.3
111.04457	4.6
111.08107	9.7
111.11746	4.0
113.05959	1.6
117.07058	3.0
119.08601	13.6
121.10173	18.2
122.21552	1.4
123.08077	2.7
123.11731	5.0
125.09689	2.0
129.07031	6.5
131.08591	8.1
133.10184	4.2
135.11696	10.9
137.13309	3.7
143.82794	1.6
145.10147	3.5
147.11729	9.0
149.09647	4.5
149.13248	3.3
153.12790	1.4
157.10164	8.2
163.11226	5.2
165.12766	3.2
171.04996	1.6
175.11197	11.1
175.12527	1.9
193.12268	38.8
209.11810	4.9
211.13319	46.4
219.21101	2.6
227.12976	2.4
237.22197	8.0
267.15976	3.9
311.26309	1.9
429.33249	1.9
503.37430	4.2
521.38458	100.0
522.38452	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	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01876	8.2
55.05513	22.2
57.03440	4.1
57.06793	2.4
57.07079	47.7
59.05020	1.7
63.01409	1.1
65.03945	1.5
67.05508	32.0
69.07073	16.0
71.05003	3.3
71.08636	28.6
71.15321	1.2
79.05495	23.0
81.03429	11.6
81.07062	37.3
81.37037	1.0
83.01343	4.0
83.04976	10.3
83.08627	22.7
85.02927	3.7
85.06578	1.7
85.10184	16.2
91.05480	18.9
93.07044	29.1
95.04974	10.8
95.08610	40.7
97.02914	2.8
97.06539	2.8
97.10178	11.0
99.04452	2.1
103.05499	1.5
105.07037	11.7
107.04965	10.4
107.08606	16.8
109.06524	5.6
109.10157	15.9
111.04469	3.4
111.08065	2.0
111.11754	2.7
115.05531	1.5
116.06313	1.2
117.07025	7.4
119.08591	12.4
120.08927	1.6
121.06525	3.8
121.10146	10.7
121.53938	1.1
123.08080	8.1
123.11738	5.4
125.06009	1.6
129.06992	2.8
130.07848	1.6
131.08601	4.6
133.10170	4.4
135.08099	3.8
135.11699	17.4
137.09541	1.3
137.13275	2.1
145.10153	20.0
147.08054	2.5
147.11652	1.6
149.09627	1.5
153.12804	2.2
155.08528	1.8
157.10176	3.8
159.11708	1.6
163.11186	35.9
165.09186	3.0
173.09657	3.2
175.11220	2.2
181.10330	1.3
181.12318	6.9
183.11684	1.3
190.13512	1.3
191.10678	2.7
193.12309	3.6
203.14439	1.5
209.11674	10.1
211.13280	2.2
221.15356	2.7
221.22678	1.8
222.15662	2.8
227.12781	30.5
229.13071	1.8
237.15054	2.1
239.23709	7.1
248.14166	2.0
255.17545	1.2
256.17966	1.2
276.84302	1.2
286.19229	1.9
303.19656	4.5
304.19946	4.2
313.27396	1.7
503.35291	1.9
521.38428	100.0
522.38989	2.3
549.22144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03944	4.9
55.01862	2.7
55.05515	37.1
57.03445	8.7
57.07079	8.8
65.03940	3.4
67.05509	50.5
69.03426	2.6
69.07070	36.7
69.36315	8.2
71.01367	1.4
71.05000	6.7
71.08629	4.6
77.00388	0.9
79.05495	34.6
81.02932	1.7
81.03419	42.8
81.07059	58.6
83.04975	9.3
83.08622	37.3
85.02909	24.9
85.06539	2.8
85.10183	1.4
86.09718	3.4
90.79230	0.9
91.05482	23.7
92.79441	1.0
93.07047	32.4
95.04975	22.5
95.08607	35.4
97.02900	3.5
97.06524	6.1
97.10181	13.5
98.20908	2.9
98.21557	2.1
99.08094	2.5
105.07034	17.8
107.04976	4.7
107.08597	15.0
109.06544	3.6
109.10155	13.9
111.04455	4.1
111.08081	11.3
111.11723	3.9
113.05971	2.1
117.07037	3.0
119.08588	16.5
121.06519	1.3
121.10154	21.9
123.08073	1.7
123.11726	7.2
125.00016	1.2
125.09608	2.0
128.06200	2.1
129.07002	8.1
131.08571	8.0
133.06487	2.5
133.10130	6.9
135.11699	11.9
136.93077	1.2
137.09636	1.7
137.13293	4.6
139.11165	1.0
142.07774	1.2
145.10139	2.6
147.08014	2.0
147.11699	10.5
149.09656	4.3
149.13271	4.5
153.12761	2.2
157.10129	9.2
163.11214	3.0
165.12837	2.8
172.95300	1.8
175.11205	10.0
176.66960	1.1
184.07365	11.9
189.11198	1.3
191.10699	1.0
193.10426	2.0
193.12256	47.5
209.11812	3.4
211.13290	53.3
219.21118	3.1
227.12784	1.8
228.97920	1.0
237.22102	8.1
267.15958	4.2
272.44452	0.9
291.19724	1.1
311.25952	3.2
333.14999	1.3
342.28903	1.1
429.33658	2.4
503.37738	5.1
521.38428	100.0
522.38574	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
54.05544	0.5
69.03432	1.4
70.84381	1.5
80.88543	0.6
81.03431	1.2
85.02907	3.0
88.91290	0.6
91.05489	2.4
97.02897	1.1
97.34371	0.5
103.05479	52.6
105.07018	0.8
107.04979	1.1
119.04968	4.0
121.44805	0.6
129.07018	0.7
129.71629	0.6
131.04945	100.0
137.05994	6.6
147.04417	4.9
149.05768	0.6
151.03885	1.2
151.07524	1.0
161.05998	1.4
163.07564	39.8
167.07034	0.6
179.07043	4.2
231.35992	0.6
334.46646	0.7
338.53366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
53.88583	1.9
55.05501	2.9
57.03447	2.0
69.03429	4.0
69.22385	12.6
69.22801	4.8
79.05500	2.8
81.03420	5.4
81.07067	3.0
85.02902	2.9
91.05497	2.4
93.07037	2.3
95.04961	3.6
95.08602	2.6
97.02892	5.6
98.83963	1.7
102.07935	2.0
102.50957	1.8
103.05460	26.7
105.07043	3.3
107.04991	2.0
109.02827	3.1
115.05414	2.0
118.96837	1.5
119.08591	2.9
121.10233	2.1
123.04427	3.8
127.03946	2.8
131.04933	100.0
131.08664	1.9
137.06027	6.2
149.05960	8.8
151.03929	11.9
163.03915	3.9
203.14374	3.5
275.09064	4.6
293.10129	4.2
521.27545	2.6
521.34497	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01850	0.7
55.05468	2.2
57.07078	8.3
59.04966	1.3
65.03914	1.3
67.05511	4.8
69.03436	3.0
69.07027	2.2
69.73599	0.6
71.08578	0.9
71.49411	1.0
79.05495	5.7
81.03402	0.7
81.07058	8.3
81.16632	0.6
83.04989	6.0
83.08583	1.5
85.06496	2.7
91.05480	9.1
93.07045	12.1
94.07798	0.7
95.04960	4.6
95.08612	7.2
96.05614	0.6
97.06535	4.3
101.74911	0.5
103.05489	0.6
105.07033	21.8
107.04948	1.2
107.08610	11.1
109.06515	6.9
109.10105	2.6
111.04420	0.9
111.08008	0.7
115.05412	1.3
117.06263	0.7
117.07011	5.4
119.08585	23.7
120.09355	1.3
121.06492	3.4
121.10151	11.6
122.07288	1.4
123.08086	6.6
123.11636	1.0
125.06001	14.7
128.06206	0.7
129.06961	2.3
131.08568	11.0
132.09299	2.2
133.06459	3.6
133.10130	15.8
134.10759	0.8
135.07117	0.9
135.08054	11.2
135.11702	3.3
136.08824	1.1
137.05934	1.1
137.09644	3.5
138.85399	0.7
139.07501	1.3
139.11145	0.9
141.06966	1.8
142.07745	3.0
143.08571	7.9
144.09317	3.5
145.06451	1.9
145.10121	24.8
146.07162	0.7
147.08070	9.5
147.11638	2.8
148.08775	1.0
149.09625	9.1
150.10394	1.5
151.07582	6.1
151.11140	1.8
154.07867	0.6
155.08504	2.7
156.09279	2.7
157.10135	9.0
158.10823	1.7
159.08109	4.8
159.11696	19.5
160.08792	2.2
160.12396	1.8
161.09627	7.2
161.13237	3.1
162.10385	1.5
163.07523	1.2
163.09894	1.3
163.11183	22.6
164.11928	0.8
165.06981	0.8
165.09116	10.7
167.08562	1.5
168.09279	0.9
169.10138	4.8
170.10893	1.5
171.08009	2.3
171.11705	5.9
173.09662	6.8
173.13242	3.9
174.10365	0.9
175.09770	1.0
175.11185	12.7
177.09128	4.1
177.12711	1.0
178.09857	1.9
179.08469	1.4
179.10605	1.7
180.09319	0.9
180.11401	2.9
181.10120	3.4
181.12189	17.3
182.10919	1.4
183.08012	1.2
183.11697	4.2
184.07233	0.7
185.09608	2.7
185.13249	4.2
186.10410	1.4
187.07489	0.7
187.11186	5.1
187.14778	1.9
189.09009	1.1
189.12741	5.3
190.13528	4.6
191.10628	3.3
192.11328	1.2
193.10336	1.1
193.12263	10.0
194.10912	1.1
195.11661	4.4
195.13579	1.3
196.12419	1.2
197.09589	1.2
197.13240	3.8
198.10431	0.9
199.11185	4.5
199.14822	1.3
200.11917	0.8
201.12718	6.7
202.13583	0.9
203.14366	5.5
205.12207	1.1
206.10805	0.6
207.11626	2.1
207.13766	5.7
208.12506	1.3
208.14545	3.3
209.09798	0.7
209.13324	4.3
210.10370	0.8
211.11182	2.8
211.14781	2.5
212.11917	0.8
213.12733	3.8
213.16406	0.7
215.14297	3.2
216.15089	1.1
219.11888	1.0
219.13814	8.1
221.13310	2.1
221.15359	23.5
223.11205	0.9
223.14827	3.5
225.12808	3.3
225.16338	1.3
226.13458	1.2
227.14433	3.5
227.17932	0.9
228.14798	0.7
229.12190	1.2
229.15831	2.6
231.13773	2.7
232.14484	1.0
233.13284	1.3
233.15317	5.3
234.13913	0.7
234.16173	12.5
235.14757	1.0
235.16963	1.5
237.12712	1.4
237.16362	1.8
239.14256	2.3
239.17883	0.9
240.14751	1.0
241.15857	2.2
243.13863	1.8
243.17647	0.9
245.15321	1.8
247.14740	0.8
247.16966	14.2
248.17715	3.2
249.12788	0.7
249.16542	1.2
251.14323	1.3
251.17757	1.1
253.15858	2.2
255.17412	1.4
256.14496	0.7
257.15347	1.8
259.16919	1.6
260.17715	2.8
261.18494	2.6
263.17712	0.8
265.15836	2.2
265.19586	0.9
266.16785	0.7
267.17499	0.8
269.15393	3.0
271.16949	1.5
272.17661	0.7
273.18616	0.8
274.19507	0.8
279.17413	2.8
279.20990	1.8
281.19162	1.6
283.16913	1.4
286.19287	2.7
287.20035	4.8
294.19684	0.9
295.20377	1.0
297.18512	3.2
297.21878	1.3
298.19235	1.8
299.20078	11.8
300.20807	0.9
307.20575	3.0
310.19232	2.7
311.20068	5.9
312.20853	12.2
313.21600	15.1
321.21973	1.2
323.19934	0.8
325.21646	13.5
339.23215	12.5
340.23965	35.1
341.24652	1.1
349.21481	0.7
367.22534	1.4
407.25677	0.9
411.25253	2.1
413.26837	8.8
425.26898	22.1
426.27658	7.4
427.28461	33.6
440.29230	100.0
441.29416	1.7
502.34769	0.9
505.33096	4.3
520.35492	66.4
521.36121	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65519	0.8
53.03944	1.2
55.01867	1.4
55.05501	4.4
57.03435	1.1
57.07072	10.6
59.04991	2.2
60.65154	0.8
65.03936	1.3
65.36770	0.8
67.05511	7.1
69.03432	2.9
69.07081	5.7
69.89824	3.6
71.04977	1.2
77.17963	0.9
79.05503	7.7
81.03403	1.3
81.07059	12.3
83.04982	7.5
83.08626	2.4
85.06550	2.8
85.79894	0.8
91.05476	13.4
93.07039	16.2
95.04967	5.5
95.08617	12.4
97.06532	5.5
97.10156	1.3
103.05489	0.9
105.07033	31.2
107.04939	2.3
107.08601	15.7
107.18368	0.8
109.06531	7.1
109.10160	3.2
111.08096	1.7
115.05486	1.0
117.07008	8.2
119.08589	31.7
120.09395	2.1
121.06511	4.5
121.10141	13.4
122.07310	1.3
123.08051	8.6
123.11736	1.2
125.05995	21.4
125.06872	1.5
128.06186	1.1
129.06998	3.4
131.08560	14.1
132.09378	2.1
133.06497	3.6
133.10144	18.6
135.08049	13.4
135.11714	5.7
135.36781	0.8
136.08733	1.0
137.05994	2.0
137.09618	4.4
139.07555	1.1
141.07036	2.2
142.07813	2.3
143.08557	8.8
144.09343	3.8
145.06479	1.9
145.10127	31.9
147.08055	13.6
147.11729	3.5
148.08797	1.3
149.09618	13.2
150.10400	2.1
151.07541	7.5
151.11192	2.4
155.08574	2.9
156.09297	4.2
157.10143	10.8
158.10925	1.5
158.92146	1.0
159.08110	6.5
159.11699	25.5
160.08810	1.2
160.12483	3.9
161.09625	8.0
161.13220	4.4
163.07529	1.2
163.11185	24.3
164.11913	1.2
165.07043	1.0
165.09119	11.8
166.07718	0.9
167.08624	2.4
168.09294	0.9
169.10107	5.6
170.10872	1.8
171.08086	2.6
171.11679	7.5
172.08868	2.3
172.12416	0.9
173.09622	7.2
173.13252	5.6
174.10387	0.9
175.11179	18.1
176.11771	0.9
177.09094	4.2
177.12816	1.4
178.09904	2.4
179.08585	1.2
179.10701	1.5
180.09286	2.0
180.11449	2.2
181.10208	4.0
181.12270	22.2
181.13707	1.4
182.10886	2.4
183.11630	6.4
185.09671	2.5
185.13330	5.3
186.10466	1.5
187.11217	6.6
187.14760	2.0
189.09171	1.7
189.12775	5.2
190.13531	4.5
191.10738	3.4
193.10165	3.3
193.12280	12.6
194.10977	1.2
195.11736	5.9
195.13426	1.4
196.08839	1.1
196.12515	2.6
197.09619	2.1
197.13261	7.3
199.11176	7.0
199.14844	2.0
201.12784	6.2
201.16423	1.2
203.10719	1.0
203.14291	6.1
205.12280	1.7
206.10866	1.7
207.11722	2.8
207.13826	7.2
208.12592	1.9
208.14580	3.7
209.09666	1.0
209.13319	5.9
211.11232	3.3
211.14864	3.6
212.11974	1.9
213.12665	4.4
213.16344	1.5
213.24698	0.9
215.10632	1.0
215.14326	3.1
216.15195	2.2
217.12291	1.0
219.13783	9.3
220.12628	1.0
221.13298	2.5
221.15344	25.1
223.11232	1.8
223.14804	4.3
225.12767	4.0
225.16443	1.4
226.13527	1.0
227.14340	3.5
229.12285	1.4
229.15845	1.1
231.13881	2.0
232.14734	1.3
233.13351	1.6
233.15388	5.3
234.13907	1.4
234.16118	14.6
235.14845	1.8
237.12872	1.7
237.16275	1.8
239.14349	3.1
241.11998	1.2
241.15944	2.2
245.15396	3.2
247.14540	1.0
247.16992	15.3
248.17726	3.5
249.16533	1.2
251.14401	2.3
253.15985	2.4
257.15494	2.3
259.16977	1.5
260.17706	2.9
261.18655	1.7
265.15982	2.3
265.19574	1.5
267.17636	1.1
269.15421	2.9
271.16913	4.0
274.19424	1.4
279.17505	3.9
279.21216	1.4
281.18988	1.6
283.16815	1.1
284.17789	1.8
285.18643	1.4
286.19257	2.6
287.20068	3.2
289.18021	2.7
294.19870	1.3
297.18509	5.6
297.21881	1.7
298.19296	1.2
299.20023	12.4
300.20718	1.3
307.20596	4.4
310.19357	3.8
311.19980	5.2
312.20908	12.3
313.21631	15.5
325.21628	16.3
339.23172	10.4
340.23978	35.9
340.28049	1.9
341.24719	1.1
345.39807	0.9
367.22711	1.3
369.20685	1.8
400.26495	1.0
407.26144	1.0
411.25314	2.0
413.26920	10.1
425.26874	25.8
425.76993	0.9
426.27737	8.2
427.28448	31.7
440.29245	100.0
441.29907	1.5
505.33069	4.1
520.35504	71.8
521.35968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05026	1.1
57.03427	0.4
58.06575	1.6
59.07358	0.5
60.08164	16.8
67.05502	3.3
67.29923	0.2
69.07065	1.2
69.39337	0.2
69.82443	1.1
71.07372	6.3
79.05499	0.8
81.07057	2.4
83.08626	0.4
86.09708	49.7
87.10051	0.3
91.05496	0.7
92.38323	0.3
93.07034	0.8
95.08611	1.8
98.21455	0.6
98.98469	4.3
104.10745	98.5
105.11084	0.6
107.08608	0.3
109.10159	0.9
119.08551	0.3
121.10267	0.3
125.00008	29.0
163.01582	0.6
167.05608	0.3
184.07343	100.0
185.07639	0.4
219.55771	0.3
258.11047	1.4
280.70990	0.3
304.40149	0.3
337.27374	0.8
359.60352	0.3
417.30005	0.3
435.19910	0.3
470.61584	0.3
499.92603	0.3
502.32947	8.0
520.34003	23.0
521.34552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36545	0.7
68.11053	0.7
70.67083	2.1
71.32887	0.7
79.05488	1.1
89.03902	1.4
91.05455	1.2
93.07045	1.5
98.97589	1.9
103.05479	8.3
107.04974	1.6
117.03394	1.0
120.08114	100.0
131.04942	3.2
135.04431	3.3
145.02872	2.1
146.79362	0.9
149.06017	1.2
158.99768	0.9
163.03914	26.5
163.05264	1.6
164.04250	2.5
166.08650	43.9
203.60306	0.7
205.82693	0.7
329.05457	0.9
523.13049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.04781	0.1
56.05032	0.6
57.03431	0.2
58.06627	0.5
59.07410	0.1
60.08168	6.7
67.05505	0.6
69.07072	0.4
69.14665	1.0
70.06575	0.2
71.07377	3.4
72.10086	0.1
79.05503	0.2
81.07054	0.5
86.09709	31.8
91.05479	0.1
93.07056	0.1
95.08619	0.5
98.98466	3.3
104.10748	3.2
105.41087	0.1
109.10180	0.2
125.00011	22.3
184.07349	100.0
184.47313	0.1
185.07678	0.2
196.93292	0.1
216.34152	0.1
258.11026	0.2
337.27155	0.2
364.69778	0.1
502.33008	0.8
520.27698	0.1
520.34039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01883	9.4
55.05512	66.7
56.02758	1.0
57.03423	3.5
57.07078	22.5
59.04990	3.3
63.68641	1.1
65.03912	1.4
67.05504	23.1
69.03403	2.2
69.07066	52.9
69.64236	1.1
69.64569	6.8
71.04967	3.3
71.08633	13.0
71.68402	1.0
73.04745	1.5
76.26652	1.0
77.09307	0.9
79.05496	29.7
81.03424	13.0
81.07056	26.8
83.01337	7.5
83.04980	10.3
83.08619	53.0
85.02893	3.8
85.10172	6.1
91.05471	20.9
93.07045	31.9
95.04436	1.5
95.04960	10.8
95.08607	13.4
97.02898	2.5
97.06543	5.2
97.10168	36.7
98.21104	3.5
99.04441	2.2
100.87602	1.3
103.05482	1.0
105.04516	1.1
105.07037	15.1
107.04953	12.1
107.08595	14.8
108.53497	1.1
109.06528	5.7
109.10142	3.8
111.04417	2.1
111.08053	2.8
111.11720	12.4
117.07009	9.5
119.08591	9.1
121.06473	4.7
121.10155	8.1
123.08086	7.1
123.11694	1.5
125.05989	1.4
125.09541	1.3
125.13259	3.9
128.06161	1.7
129.07013	2.0
130.07747	2.3
131.08543	5.4
133.10139	2.7
135.07993	2.7
135.11697	12.0
137.09695	1.4
137.13231	1.6
139.07468	1.5
143.08580	2.4
145.09056	1.6
145.10127	18.3
147.08002	3.1
147.11676	3.1
149.09544	1.3
153.12691	3.3
161.09584	1.1
163.09874	1.9
163.11182	30.5
167.05560	1.4
171.11772	1.4
173.09586	2.5
181.12297	6.5
183.48677	1.2
191.10640	3.1
207.13820	1.6
209.11705	12.8
227.12769	5.8
237.22169	8.8
299.06247	2.5
383.43677	1.0
433.13910	1.2
519.36700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.8
55.01865	18.3
55.05514	83.5
57.03429	6.1
57.06841	3.9
57.07078	48.2
67.05183	4.9
67.05508	55.0
69.07072	68.7
71.04994	8.1
71.08617	16.6
72.25761	3.4
79.05074	5.3
79.05495	65.7
81.03427	21.4
81.07054	74.1
83.01310	6.5
83.04984	25.0
83.08618	61.6
85.10181	56.3
91.05473	53.3
93.07045	74.4
95.04961	25.7
95.08605	52.7
97.06509	10.4
97.10172	44.7
100.78731	3.9
105.07036	41.9
107.04903	24.2
107.08596	37.4
109.06509	7.7
109.10146	16.2
111.04379	4.3
111.08085	5.8
111.11703	15.3
113.09644	67.5
117.07023	15.5
119.08586	24.7
121.06499	4.2
121.10138	30.6
123.08059	15.2
123.11723	7.2
125.09603	4.0
125.13251	5.7
127.87299	3.7
129.07002	8.4
131.08568	12.5
131.83012	3.9
133.10130	13.6
135.08049	6.8
135.11662	30.2
145.10136	21.6
147.07919	5.4
147.11697	20.1
149.09587	13.3
149.13167	5.4
151.11224	4.5
153.12674	5.1
157.10098	4.8
161.13268	6.2
163.11163	62.7
165.09099	4.8
165.12764	66.8
171.11723	6.8
173.09706	7.1
173.13277	3.9
181.12164	10.7
189.12814	6.3
191.10683	5.0
207.13797	13.6
209.11656	12.1
221.15353	5.3
227.12762	20.4
237.22073	8.3
259.20517	8.2
277.18817	7.2
277.21637	91.5
295.22668	100.0
299.34186	4.5
303.19427	5.0
348.28076	4.6
519.36621	94.8
520.35803	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	519.1712
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.03938	6.0
69.03423	8.6
69.51233	14.0
77.03943	2.6
79.05482	7.2
81.03414	7.9
85.02908	10.2
91.05505	3.1
93.07048	7.0
95.04380	3.7
95.04979	72.5
97.02901	14.2
98.20831	3.6
103.05463	7.8
105.03419	2.4
105.04438	1.8
107.04962	56.5
109.02892	33.1
109.06528	3.1
121.06521	11.9
123.04453	12.2
125.02352	29.0
125.05991	3.9
127.03936	7.1
131.04970	2.8
133.02887	2.1
135.04410	6.4
145.04999	2.2
149.05989	20.9
149.92262	2.0
151.03917	100.0
153.05460	10.0
167.07114	2.4
177.05496	35.1
195.06557	47.4
213.07649	3.1
230.14694	1.7
264.24792	2.3
339.10773	4.3
346.70465	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1712
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
51.02389	1.9
53.03954	8.2
54.57747	1.3
55.01867	2.2
62.78749	1.3
62.98714	1.2
67.05498	3.5
68.30497	1.2
69.03443	7.9
71.04986	1.9
71.48577	2.2
74.21465	1.2
79.05498	7.3
81.03425	7.1
81.07073	2.8
85.02915	13.3
88.33637	1.2
91.05467	4.7
93.07050	6.2
95.04976	76.4
97.02901	14.4
97.06522	2.7
99.04479	1.4
103.05480	9.2
105.04521	1.5
105.06991	3.1
107.04965	52.2
107.08581	2.0
109.02129	2.2
109.02885	31.1
109.06495	2.4
115.05504	1.5
119.04965	1.9
121.06520	12.7
123.04430	17.2
125.02365	27.1
125.05992	4.9
127.03934	6.5
131.04916	4.8
131.05984	1.4
133.02850	3.3
133.06516	2.2
135.04443	6.8
137.06018	8.0
145.04951	2.6
147.11711	1.6
149.05991	17.4
151.03912	100.0
153.05469	8.9
159.04437	3.2
161.05986	3.4
161.13274	1.3
163.03943	1.8
167.03458	1.5
167.07011	2.9
175.14958	1.6
177.05481	31.3
193.08635	1.3
195.06538	42.5
213.07597	4.6
281.05252	1.2
299.06180	1.5
321.10010	1.6
339.10712	4.3
357.11749	2.0
373.17804	1.7
387.95908	1.4
448.15384	1.8
502.74841	1.2
519.20557	1.4
519.33179	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	518.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.05055	1.3
57.03440	0.7
58.06580	1.5
59.07399	0.4
60.08172	17.2
67.05510	2.6
69.07067	0.9
70.06607	0.3
70.53929	0.2
71.07385	6.8
72.27563	0.2
74.35596	0.2
79.05497	1.7
81.07061	2.2
83.04993	0.3
83.08629	0.3
86.09715	52.0
87.09994	0.2
91.05488	0.9
92.01858	0.2
93.07062	2.3
95.08595	1.3
98.20743	0.5
98.98472	4.9
101.49001	0.2
104.10755	100.0
105.07034	0.3
105.11073	0.4
107.08583	0.7
109.10176	0.5
119.08537	0.2
121.10091	0.3
125.00019	30.3
133.10164	0.3
143.01065	0.3
163.01601	0.6
181.02579	0.3
184.07361	96.8
185.07620	0.5
201.59541	0.2
258.10977	1.1
335.25845	0.8
482.66095	0.3
486.49789	0.2
500.31384	7.7
518.32495	21.8
519.32520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05038	0.5
57.03440	0.1
58.06638	0.4
59.07395	0.1
60.08165	6.2
63.01361	0.1
67.05503	0.6
69.07076	0.2
70.06587	0.2
71.07375	3.1
71.13164	0.1
79.05485	0.4
81.07051	0.4
86.09708	32.0
91.05489	0.2
93.07040	0.4
95.08625	0.3
97.25785	0.1
98.98470	3.6
104.10748	3.0
109.26258	0.1
125.00008	21.2
140.34436	0.1
184.07344	100.0
185.07700	0.4
209.59946	0.1
258.10901	0.3
280.66556	0.1
282.84778	0.1
335.25815	0.1
498.62268	0.1
500.31317	1.1
518.32397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01865	6.4
55.05514	20.1
57.03439	3.6
57.07064	2.1
65.01247	2.1
65.03925	3.5
67.03351	2.1
67.05507	52.0
69.03413	3.4
69.07065	18.8
70.82353	3.2
71.04996	4.8
77.80864	2.1
79.05493	65.6
81.03410	9.2
81.07057	81.8
83.04975	8.0
83.08630	11.0
85.06542	4.8
91.05486	60.8
93.07043	67.4
95.04979	23.9
95.08604	30.5
95.83756	2.0
97.06505	7.6
97.10160	2.8
105.04478	3.7
105.07033	54.2
107.04970	14.0
107.08603	26.3
109.06513	31.6
109.10152	11.6
111.08061	6.2
117.07021	12.4
119.08581	39.5
121.06498	7.2
121.09373	2.4
121.10130	16.3
123.08032	9.9
123.11718	4.6
125.09580	2.7
129.07011	16.7
131.08585	17.9
133.06465	2.3
133.10123	19.8
135.07994	5.1
135.11682	7.4
137.09584	5.6
143.08562	8.4
145.10130	16.8
147.08037	2.3
147.11684	42.2
149.09595	7.9
149.13208	7.6
151.11169	2.9
155.08540	2.4
157.10101	4.4
159.11711	8.9
161.09625	7.8
161.13272	12.7
163.11163	9.3
163.14780	1.9
165.12819	3.6
169.10130	2.4
171.10461	3.0
171.11710	29.3
173.13271	5.8
175.11195	3.2
175.14772	2.6
177.12637	3.0
183.11737	3.2
187.11263	2.3
189.12741	16.5
193.12238	3.5
207.13799	24.0
223.13126	2.6
229.19429	5.9
239.17999	4.3
247.20538	5.9
257.19022	10.6
275.20065	100.0
293.21066	24.5
302.17075	2.0
396.00348	2.2
452.69855	2.5
517.38867	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	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01909	4.4
53.03941	8.1
55.01867	8.9
55.05518	32.7
61.39704	4.7
65.19786	4.9
67.05511	49.0
69.07068	14.6
69.91080	8.3
69.91471	13.6
79.05508	47.8
81.03415	10.6
81.07060	45.4
83.04972	9.9
83.08639	31.6
85.02905	6.5
86.84989	4.5
91.05486	56.9
93.07047	57.6
95.04979	44.7
95.08640	24.4
97.06525	7.0
97.10190	6.7
105.07047	44.2
107.04933	14.0
107.08603	30.5
109.06521	12.6
109.10152	7.9
111.08095	13.8
116.19181	4.6
117.07045	19.0
119.08599	27.3
121.06484	8.8
121.10159	14.2
123.08072	7.2
123.36261	4.6
125.09624	5.4
127.75657	5.7
129.06992	12.7
131.08563	15.8
131.80357	5.5
133.10149	30.7
135.11705	11.5
137.09590	5.9
143.08554	6.8
145.10120	36.5
147.11705	35.1
149.09608	23.8
159.11723	15.0
161.13252	9.1
163.11192	30.2
169.10178	6.3
171.11742	20.6
173.13281	6.9
183.11691	5.1
193.11916	4.7
207.13783	24.2
223.13272	26.9
229.19597	5.2
247.20377	6.0
257.18921	13.2
275.20065	100.0
293.21213	53.3
323.51627	5.5
517.37872	12.9
533.81061	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	517.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
55.08015	0.6
57.03408	0.8
61.02911	0.8
66.21441	0.6
67.05489	2.2
69.03442	3.4
71.22204	1.5
79.05479	1.5
81.03403	1.9
81.07061	3.2
85.02921	5.3
91.05467	1.9
93.07072	1.6
95.43043	0.6
97.02875	1.8
105.07012	1.2
106.06525	0.8
107.04980	0.8
107.08591	1.2
109.02858	0.7
109.06494	2.4
111.08068	1.3
114.05460	0.8
117.07008	1.4
119.08583	1.0
127.03920	1.5
129.06985	1.5
130.06526	0.9
131.34534	0.6
136.07469	0.7
137.06047	0.6
138.05489	0.7
142.78477	0.6
143.07310	1.5
143.08553	2.5
144.08089	40.1
152.07161	0.7
153.06943	0.9
154.06506	2.2
155.07292	3.2
156.08136	1.3
158.09613	0.9
168.08076	3.7
168.10266	1.0
169.08708	5.3
170.09653	25.0
180.08116	1.1
184.07257	0.9
186.96410	0.6
194.09676	1.8
195.09259	1.8
196.07587	1.0
200.14371	1.8
204.08052	0.8
207.09129	0.7
207.40117	0.6
208.09920	1.5
221.10757	16.5
222.11589	1.6
223.08664	2.7
223.12292	9.0
235.12158	1.0
249.10246	2.6
251.11784	2.1
255.11275	9.6
265.09744	7.1
267.11304	89.7
268.11697	1.6
277.17050	2.1
279.11304	9.6
280.12115	0.7
281.12872	16.1
283.14413	3.0
305.16428	4.3
323.17557	58.4
324.17776	0.9
324.56982	0.8
325.18777	0.9
337.19189	10.6
339.20535	4.1
355.20184	100.0
356.20688	2.1
386.13309	0.7
488.10162	0.7
499.30380	1.2
500.19287	1.1
517.25342	10.5
517.31476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86338	0.6
53.03944	1.1
55.01865	2.1
57.03431	1.2
61.02929	2.9
67.05523	0.8
69.03437	7.8
69.66629	2.1
69.67035	1.2
71.05003	1.1
73.02928	0.8
76.80945	0.5
79.05486	1.5
80.11086	0.5
81.03419	4.4
85.02908	13.3
87.04465	2.1
91.03960	1.0
91.05509	0.9
95.04960	2.3
97.02895	7.0
99.04414	1.2
103.05464	1.3
105.07030	1.4
107.04924	1.0
107.36173	0.6
109.02888	2.1
117.05765	1.3
117.07067	1.1
119.09439	0.5
121.06479	0.7
123.04470	1.0
127.03931	2.5
129.07024	2.1
130.06512	6.8
131.04906	0.9
131.07298	0.7
132.08105	1.4
133.02827	0.6
133.06493	2.9
140.04906	0.7
143.07336	2.4
143.08488	0.6
144.08095	42.1
145.04990	1.1
145.06502	0.5
151.03915	8.4
154.06525	1.6
155.07310	2.8
156.08096	16.0
156.09311	1.0
157.08846	2.5
158.09650	4.9
167.07310	4.5
167.08566	0.8
168.08092	9.4
169.08888	4.1
170.09660	8.6
173.10602	0.6
177.05470	1.0
177.07010	0.6
180.08093	10.9
181.08858	7.4
182.09668	7.2
184.07545	0.7
187.12341	1.2
191.07375	1.0
192.08090	1.3
193.08925	1.7
194.07991	1.2
194.09666	15.9
195.10474	2.0
196.11305	2.0
197.08339	0.7
198.09235	1.0
204.08075	4.0
205.08922	2.8
206.09630	3.3
207.10431	1.2
208.07556	3.3
210.09200	2.6
212.10771	1.1
217.08925	1.6
218.09714	1.9
220.07709	1.0
220.11208	0.9
221.08536	0.7
222.09155	18.2
222.12640	0.8
223.09904	10.9
224.07054	1.0
224.10664	2.6
225.11443	1.4
230.09727	1.3
231.10437	1.2
232.07550	1.0
232.11288	1.7
234.09277	2.3
234.12811	1.4
236.06998	1.4
238.08659	3.7
239.09454	0.8
243.10515	0.7
244.11156	0.8
246.09355	0.7
246.12856	2.1
248.10721	0.8
250.08675	7.8
251.09444	14.0
260.10727	0.7
262.12335	1.5
264.13904	2.4
267.11261	1.9
268.09717	8.4
269.10449	6.1
269.13034	0.6
274.12256	2.3
276.13901	2.4
280.13306	1.4
282.14960	2.6
285.12415	2.0
290.11783	2.0
292.13345	0.7
293.16626	0.7
294.14743	0.8
302.11902	2.9
308.12820	8.5
311.17694	1.2
319.14325	0.7
320.12799	12.0
326.13870	14.6
337.15475	4.9
338.13876	20.6
355.16568	8.0
360.23724	0.5
431.16071	0.6
441.74469	0.7
488.19183	2.3
500.19183	100.0
517.21844	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	517.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.8
51.02366	0.7
51.86926	0.6
52.49682	0.6
53.03941	2.5
55.01862	1.5
55.26276	0.7
57.03420	1.8
61.02930	2.9
61.78263	0.7
67.05513	3.3
68.72349	0.6
69.03089	0.7
69.03435	10.1
69.52844	4.3
71.04987	1.0
73.02902	1.0
77.03922	0.9
79.05477	2.2
80.78979	0.7
81.03415	7.5
83.65331	0.7
85.02445	1.0
85.02914	15.2
87.04481	1.0
91.03996	0.7
91.05490	1.3
93.07039	1.6
94.21568	0.6
95.04966	13.6
96.85355	0.5
97.02892	14.8
97.03519	0.8
99.04451	1.1
103.05460	1.7
105.04492	0.8
105.07045	1.6
107.04963	4.5
109.02886	7.3
109.06512	0.8
111.08102	0.9
115.05480	0.8
117.05787	0.7
117.07020	2.1
121.06487	2.3
123.04428	5.2
123.08052	1.1
125.02354	56.6
127.03940	7.7
128.06194	0.8
128.21367	0.6
129.07004	0.9
130.06537	4.5
131.04942	1.2
132.08113	1.4
135.04416	1.2
143.07307	5.9
144.08084	88.4
145.04994	0.8
147.04414	0.6
149.06056	3.8
151.03899	35.5
154.06525	3.1
155.06078	0.6
155.07269	1.4
156.08086	5.4
157.08896	8.4
158.08412	2.8
158.09666	9.8
159.04425	1.3
159.09187	5.3
167.07320	7.2
168.08084	6.3
169.04971	1.0
169.07500	1.0
170.09653	44.0
171.09203	2.1
175.03918	1.1
177.05457	4.7
179.07069	1.2
180.08078	8.4
181.08868	28.1
182.06009	1.9
182.09689	3.1
187.12300	23.2
191.54373	0.6
192.08165	0.8
193.08879	0.7
194.09645	9.2
195.06691	9.2
195.10466	3.4
196.07472	0.9
196.11244	6.8
197.08116	3.9
197.10823	1.2
198.09138	1.5
204.08101	2.9
205.08914	1.2
206.09673	5.8
208.07588	6.8
210.09209	1.6
220.07567	0.8
220.11400	1.3
222.05580	1.3
222.09138	6.1
222.12753	1.6
223.06317	2.0
223.09930	4.9
223.12302	1.6
224.07072	0.8
224.10690	5.5
225.11435	1.0
230.09741	0.7
234.09189	0.9
236.07100	3.5
238.08658	4.6
240.10272	0.9
246.12794	1.1
248.10611	0.7
249.10190	6.5
249.13963	0.9
250.08630	6.1
250.12444	0.9
251.09424	12.2
262.12103	0.7
264.13754	1.3
267.11307	7.8
268.09744	1.9
269.10498	4.3
274.12158	1.7
276.14063	0.9
285.12466	0.9
290.11868	1.7
292.13382	1.3
293.16458	2.8
294.14835	4.7
302.11786	3.1
303.73224	0.6
308.12820	5.5
311.17593	2.6
319.14462	1.7
320.12799	18.3
323.54388	0.6
326.13950	1.4
337.15421	8.7
338.13855	39.4
349.17654	1.0
355.16617	8.9
479.97754	0.8
488.19455	3.4
499.20825	1.4
500.19171	100.0
501.19403	1.5
511.33047	0.7
517.21832	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	517.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
60.66736	0.5
61.02903	0.7
64.41933	0.6
66.42451	0.6
67.05476	1.5
69.03418	1.9
71.48798	0.8
79.05499	1.2
81.03427	1.3
83.04974	1.6
85.02908	6.4
89.03914	5.0
93.03391	1.0
95.04939	1.8
97.02891	1.7
99.00826	1.6
107.04961	2.9
109.02902	0.6
111.04443	2.9
117.03382	6.9
123.04418	3.5
127.03956	0.8
134.26703	0.7
135.04417	13.3
137.02359	1.7
139.03918	1.3
144.08176	0.7
145.02856	9.7
145.05028	1.3
147.04370	1.1
151.03905	0.7
161.06003	1.8
163.03911	100.0
174.86945	0.6
177.06975	1.0
181.04941	1.2
187.03844	1.1
189.05403	0.6
195.08000	1.3
205.06499	3.9
209.06105	0.7
223.07527	3.3
233.06119	3.6
237.05373	0.7
251.07040	5.7
251.09250	0.9
255.06499	2.0
261.05548	1.6
269.08142	4.6
273.06039	1.8
279.06549	13.3
280.13403	0.6
281.10248	5.2
283.06079	3.0
296.06418	0.7
297.07587	12.1
307.06027	2.8
325.07004	9.1
343.08026	2.1
355.11887	0.8
426.07101	0.6
499.12354	2.6
517.12726	1.4
517.20172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1347
Annotation	Formononetin 7-O-beta-D-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
51.41604	1.0
53.00312	1.1
55.01877	5.1
57.98293	1.0
65.03945	1.4
67.05494	4.4
68.79801	1.0
69.03424	5.0
70.74722	3.1
71.01331	1.1
72.91808	1.2
81.03411	1.1
83.04981	7.4
85.02911	2.2
89.03910	3.4
93.03400	2.8
95.04964	3.1
99.00811	5.8
111.04454	8.8
115.05497	1.1
117.01884	1.1
117.03355	3.1
121.02821	1.9
123.04436	21.9
129.05463	3.7
135.04431	7.5
137.02356	4.9
139.03897	3.2
145.02888	5.1
147.04391	2.6
157.05011	1.6
159.04390	2.1
160.05147	2.6
163.03906	45.0
165.01874	1.8
167.08582	2.7
175.03961	1.9
176.06105	1.2
177.07002	9.2
181.05009	1.2
181.06548	3.0
189.05461	2.4
195.08054	6.2
197.06012	1.2
203.03365	4.6
205.04614	1.8
205.06499	34.4
205.15933	1.1
209.06119	1.6
217.06799	1.7
223.07533	30.5
226.06244	1.3
227.05270	2.4
227.07260	2.0
233.06017	28.4
234.06677	1.9
235.07512	2.3
237.05437	3.0
241.08553	1.9
250.06244	1.2
251.07047	66.7
252.07626	1.8
255.06535	3.6
261.05511	12.5
263.07062	2.1
265.05023	1.5
269.08093	41.3
273.05981	6.9
278.05655	1.3
278.66724	1.2
279.06528	100.0
280.06946	1.6
281.10397	2.0
283.05994	4.9
289.04926	4.8
297.07584	84.2
298.08105	1.5
307.02640	2.3
307.06000	27.1
308.06766	2.3
325.07059	59.7
337.09125	1.5
343.08258	9.3
377.08566	2.0
442.30301	1.2
470.15076	1.3
499.12448	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.2
53.03959	8.2
55.01872	1.8
55.05518	18.9
57.03441	8.1
57.07090	2.5
65.03938	3.5
67.05509	59.9
69.07069	18.3
70.95207	3.2
71.01373	1.5
71.05003	3.9
79.05501	59.8
81.03424	4.4
81.07062	41.4
83.04987	6.5
83.08617	4.2
85.06545	2.9
86.50415	1.3
91.05495	38.6
93.07050	59.0
95.04984	4.8
95.08616	28.3
97.06544	8.0
97.10151	6.8
105.04557	2.1
105.07046	22.7
107.08601	32.8
109.06538	2.3
109.10161	11.2
111.08080	2.0
115.05488	2.6
117.07017	14.6
119.08593	17.5
121.10154	22.0
123.11688	2.1
129.07037	5.0
131.08574	17.1
133.10135	14.2
135.11703	39.4
137.09634	2.6
143.08600	4.5
145.10115	17.0
147.11731	6.3
149.13310	3.0
151.11156	1.5
155.08537	4.3
156.09178	1.4
157.10170	6.1
159.11717	10.9
161.13284	3.4
163.11220	4.1
163.14932	1.4
169.10178	4.4
171.11708	3.6
173.13246	7.7
175.14853	1.8
181.10350	1.8
181.12270	6.6
183.11713	3.1
184.89392	1.4
185.13350	4.5
187.14807	3.4
195.11708	2.3
197.13335	1.6
199.14937	3.0
199.17227	1.3
201.16460	1.7
209.13408	2.2
223.14934	1.6
261.22260	3.5
315.23141	1.7
373.44620	1.7
405.31531	3.7
423.32541	11.0
441.33704	4.9
455.81268	1.9
459.35001	2.0
473.22864	2.1
497.36221	3.6
515.37390	100.0
516.37939	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18048	1.3
53.03955	6.8
55.01870	2.5
55.05274	1.7
55.05518	23.0
57.03439	8.1
57.07084	2.0
65.03940	3.0
67.05508	61.4
69.03443	1.3
69.07075	22.0
71.01337	1.4
71.04977	3.0
71.50191	1.3
72.04497	1.2
79.05498	59.5
81.03428	3.2
81.07060	51.5
83.04981	6.8
83.08607	7.5
85.06538	4.0
91.04913	1.5
91.05489	39.5
93.07051	69.2
95.04984	6.9
95.08610	30.4
97.06535	8.3
97.10176	7.8
103.54293	1.3
105.04527	2.6
105.07043	23.2
107.08598	36.5
109.06548	2.5
109.10161	10.3
111.08084	3.1
115.05482	1.5
117.07018	14.1
119.08583	18.5
121.06554	1.6
121.10150	17.8
122.10445	1.3
123.08064	1.9
123.11723	3.0
125.09637	3.2
128.06218	1.5
129.07001	5.0
130.07811	1.7
131.08577	18.7
133.10139	11.1
135.08078	1.8
135.11699	42.3
141.06911	1.4
142.07864	1.2
143.08554	7.6
145.10130	17.3
147.11726	6.5
149.09641	1.6
149.13292	5.0
153.12790	1.9
155.08592	2.7
156.09369	1.3
157.10153	6.9
159.11702	8.0
161.13321	5.5
161.14485	1.4
163.11176	4.4
163.14847	2.0
167.08496	1.3
169.10219	3.2
171.11711	6.8
171.66875	1.2
173.13292	7.4
175.14861	2.2
181.10286	1.1
181.12245	4.9
183.11729	4.1
185.13266	4.1
187.14821	3.5
195.11684	2.0
197.13307	2.6
199.14827	3.0
211.14854	2.2
223.14792	1.4
255.15683	1.6
261.22186	4.7
271.20825	1.3
341.24619	1.5
343.03598	1.5
403.28409	1.2
405.31619	2.4
423.32571	8.0
441.33701	3.8
497.36429	5.2
515.37396	100.0
516.38098	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	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01875	1.6
55.05280	1.0
55.05516	15.5
57.03447	7.2
57.07063	3.4
59.05037	1.0
65.03944	3.0
67.05508	41.6
68.80138	1.0
69.07075	16.3
69.79227	1.8
69.79537	5.7
71.01349	1.3
71.04979	3.2
71.68311	1.1
79.05499	39.4
81.03425	2.7
81.06598	1.9
81.07063	34.9
83.04974	4.7
83.08628	6.9
83.82452	0.9
85.06555	3.1
91.04913	1.2
91.05488	26.9
93.07048	45.0
95.04962	3.1
95.08614	21.7
97.06532	6.0
97.10193	5.6
97.31724	0.9
99.08089	1.2
105.04529	1.5
105.07036	21.3
107.04965	1.5
107.08597	27.8
109.06522	1.4
109.10148	9.7
117.07014	10.5
117.48697	1.0
119.08596	17.3
121.06520	1.1
121.10150	16.5
123.11710	2.3
125.09616	2.2
129.07007	5.4
130.07741	1.5
131.08591	14.9
133.10124	9.5
135.11702	28.2
135.12723	1.8
141.07040	2.3
142.07780	1.1
143.08562	7.9
145.10130	17.2
147.11734	6.6
149.13245	3.3
149.43306	1.0
153.12758	1.3
155.08540	2.1
157.10143	6.0
159.11687	9.6
161.13274	4.8
163.11182	3.2
169.10168	2.9
171.11693	7.1
173.13271	8.8
181.10139	1.5
181.12277	4.1
183.11726	3.3
185.13292	3.2
187.14867	3.1
195.11743	2.1
197.13286	2.6
199.14842	2.4
201.16342	1.8
209.13177	1.0
211.14815	2.5
213.16428	2.5
221.67451	1.2
261.22205	5.1
285.22244	2.9
293.71506	1.1
299.23547	1.2
347.32275	1.2
405.31677	2.4
423.32626	10.3
441.33716	2.5
459.34967	2.4
462.72781	1.2
497.36560	5.1
515.37366	100.0
516.37616	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01868	2.5
55.05518	14.7
57.03431	4.6
57.07065	1.6
60.43988	0.9
65.03944	2.0
67.05505	45.6
69.07071	14.1
71.01352	1.3
71.04985	3.0
71.49825	1.8
71.50219	1.2
79.05493	37.1
81.03416	2.5
81.07060	32.5
81.79405	0.9
83.04981	4.2
83.08638	6.1
85.06569	2.0
91.05482	25.3
93.07046	40.5
95.04970	3.4
95.08608	21.3
97.06564	5.2
97.10163	5.1
105.07037	18.9
107.08601	25.8
109.06537	1.7
109.10149	9.1
111.08149	1.3
115.05494	1.3
117.07011	7.9
119.07795	1.8
119.08580	16.2
121.06479	1.7
121.10142	13.4
123.11704	2.0
125.09653	1.5
128.06279	1.7
129.07005	6.6
131.08574	14.9
133.10141	9.5
133.76587	1.1
135.11696	23.6
141.07025	1.8
142.07799	1.5
143.08583	6.7
145.10118	14.6
147.11710	5.7
149.13261	2.3
153.12775	2.1
155.08620	3.3
157.10138	6.4
159.11687	10.0
161.13300	2.7
162.94217	1.0
163.11232	1.5
169.10123	4.2
171.11713	6.1
173.13272	5.6
175.14853	1.6
180.15717	1.0
181.10254	1.2
181.12285	4.2
183.11732	2.3
185.13283	4.7
187.14813	3.1
195.11736	1.8
197.13326	2.7
199.14880	2.2
203.14326	1.2
209.13243	1.1
261.22153	2.9
303.23160	1.1
317.24823	1.7
337.25348	1.0
405.31699	2.2
423.32529	9.9
429.02005	1.1
441.33694	4.2
459.34842	2.5
497.36548	5.0
515.37372	100.0
516.37726	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.6
53.03951	10.7
55.01868	6.8
55.05270	2.4
55.05512	28.9
57.03436	2.9
65.03928	4.4
67.05508	55.2
69.03446	3.7
69.07066	23.4
71.04987	6.6
71.08617	2.0
73.06554	3.0
77.03905	3.3
79.05499	83.8
81.03415	14.3
81.07060	100.0
83.04989	9.3
83.08625	16.2
83.27792	1.6
85.06544	5.2
91.05488	77.1
93.07050	84.3
95.04967	27.1
95.08618	38.8
97.06538	9.2
97.10192	12.5
98.21159	12.3
99.04497	2.3
99.08080	3.6
103.05473	5.0
105.04503	3.9
105.07037	69.1
107.04974	19.7
107.08610	40.5
109.06523	26.6
109.10179	19.3
111.04439	5.9
111.07375	3.0
111.08089	38.2
115.05463	6.6
116.06259	2.1
117.07020	22.4
119.08592	52.6
121.06533	9.7
121.10152	35.8
123.04443	2.0
123.08063	16.7
123.11707	5.5
125.09627	7.2
127.07515	4.2
128.06233	6.7
129.07019	35.7
130.07802	1.9
131.08588	32.9
133.06497	4.9
133.10144	35.3
135.08034	9.7
135.11711	16.1
137.09616	5.3
141.07011	3.2
142.07722	3.3
143.08583	22.7
145.06454	5.2
145.10129	53.6
147.08015	9.8
147.11713	35.1
149.09590	17.5
149.13277	7.5
151.11209	2.4
153.09094	4.8
155.08528	9.5
156.09369	1.8
157.10164	10.6
158.10840	1.8
159.08044	2.7
159.11697	20.0
161.09666	12.7
161.13275	31.0
163.11163	19.4
163.14851	7.9
165.09154	4.2
165.12691	2.9
169.10139	3.6
171.08147	2.5
171.11694	60.1
171.13170	3.0
173.09631	10.2
173.13263	15.1
175.11221	6.7
175.14819	13.6
177.12787	6.0
177.16393	8.1
179.14273	5.7
181.10109	2.7
181.12218	3.4
183.11691	4.8
185.13231	7.2
187.11232	3.1
187.14827	70.9
189.11227	5.4
189.12755	34.5
189.14575	2.2
189.14902	2.0
189.16373	19.6
191.10631	9.0
191.14386	3.1
191.17897	1.8
193.12234	2.6
193.15851	3.1
195.11694	3.2
197.09645	1.8
197.13220	3.4
199.11102	2.1
199.14827	6.1
201.12837	3.4
201.16360	18.1
203.14261	3.3
203.17831	3.8
205.15883	2.2
207.13799	20.6
209.11694	4.7
211.14824	4.4
213.16365	8.1
215.17999	6.7
221.15425	5.3
223.13246	2.5
225.16496	3.3
227.12828	3.5
227.17896	4.8
229.19498	2.7
231.13663	1.9
235.16946	7.6
237.16403	4.0
241.19412	2.2
245.18953	4.0
247.16978	2.9
249.14677	3.4
249.18544	2.5
253.19659	2.5
255.17509	8.5
273.18521	41.7
291.19562	64.7
309.20703	3.3
349.28864	2.0
377.28494	2.8
395.29471	5.5
409.31070	27.7
411.32672	8.4
413.30627	16.4
419.29233	11.4
437.30597	12.3
455.31332	3.5
461.30145	2.4
465.30115	3.4
469.33096	3.6
479.31461	2.6
497.32513	4.0
515.20148	3.3
515.36700	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88626	7.3
55.01862	12.4
55.05504	22.1
57.03432	20.7
61.02911	13.6
67.05512	84.9
68.64465	7.1
69.03426	14.1
69.07066	23.1
69.21652	14.4
69.22052	57.9
79.05497	62.6
81.03424	22.5
81.07056	100.0
82.33743	6.8
83.08633	10.0
85.02903	14.5
88.60056	6.9
91.05490	53.3
93.07038	67.3
95.04960	15.4
95.08630	79.6
97.02906	10.0
97.06531	10.8
99.08165	9.8
100.68603	9.2
105.07037	40.8
107.04989	8.6
107.08604	42.7
109.06544	20.7
109.10164	27.5
111.04396	7.0
111.08102	9.8
117.07014	27.6
119.08598	34.8
121.10151	31.2
123.11717	8.5
129.07030	10.1
129.58597	6.6
131.08562	28.8
133.10103	20.4
135.08063	13.2
135.11720	20.7
143.08569	11.0
145.10150	21.0
147.11700	19.8
157.10123	8.8
159.11771	20.2
163.14899	13.0
171.11681	9.6
173.13245	9.5
177.12816	8.6
187.14969	11.1
199.33502	7.8
243.21133	9.9
259.20770	7.5
261.22174	28.0
263.33710	10.9
266.37390	7.9
273.19089	8.7
273.22141	8.1
301.21506	10.0
303.22888	9.4
335.26031	14.3
360.15799	8.9
419.27917	10.1
441.96765	9.5
461.29419	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.05518	18.5
57.03434	13.6
57.07057	5.0
58.11375	3.1
61.02925	8.2
65.03961	6.2
67.05147	4.1
67.05508	84.5
69.03436	7.0
69.07065	15.8
69.92142	19.4
71.04980	8.0
79.05495	67.1
81.03416	5.5
81.07063	100.0
83.04960	4.6
83.08612	10.5
85.02917	6.9
87.05389	3.7
91.03957	4.4
91.05482	39.5
93.07045	70.1
95.04956	7.8
95.08616	69.2
96.67407	3.7
97.02882	6.4
97.06558	5.5
99.08090	5.1
100.70621	3.8
105.07031	30.5
107.08589	46.8
109.06478	4.6
109.10166	39.5
117.07018	14.8
119.08612	20.3
121.10152	39.5
123.08120	4.9
123.11715	15.2
125.09624	4.7
129.06985	6.5
131.08559	31.2
133.10141	17.5
135.11711	35.7
137.13286	7.0
145.06558	4.1
145.10144	22.7
147.11720	12.4
149.13260	20.9
159.11668	17.7
161.13318	12.5
163.14815	15.0
171.11642	6.1
173.13272	15.4
175.14824	4.3
185.13257	4.4
187.14818	9.4
199.14871	4.5
243.21147	23.5
261.22131	70.9
279.23157	4.4
335.25784	29.6
345.24460	4.3
346.85046	4.0
353.26901	14.3
369.24362	5.4
383.61487	3.8
515.36969	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	515.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
61.02913	0.5
62.44953	0.5
67.05499	0.5
69.03423	1.7
69.77689	1.9
79.05485	1.4
81.03400	1.2
81.07043	0.6
83.57561	0.4
85.02922	2.2
86.09695	0.7
91.05489	1.6
93.07018	1.5
95.04928	0.5
97.02888	0.8
105.07016	1.6
107.04958	0.9
109.02886	0.5
115.05428	0.9
117.07021	1.3
118.06557	0.7
119.04935	1.5
119.08553	0.7
128.06204	1.1
129.07002	1.5
130.06540	1.5
132.08116	1.0
133.06543	0.5
143.07426	0.8
143.08557	2.9
144.08090	24.5
146.05980	0.4
148.07573	0.4
153.06953	0.6
154.06502	2.6
155.06110	0.5
155.07295	4.2
156.08032	1.3
158.09679	1.3
164.07121	0.4
166.08669	1.3
167.07187	0.8
168.06854	0.6
168.08127	5.7
169.07593	0.8
169.08862	0.5
170.09659	30.2
171.09114	0.6
178.08664	2.6
180.08029	0.6
183.09200	2.8
184.07356	1.8
184.09914	1.5
184.11362	0.9
185.10791	2.0
192.10210	1.4
192.22433	0.4
195.09171	1.5
196.07584	0.5
197.10739	3.0
208.09914	0.8
217.08911	0.5
218.09642	0.5
220.09799	0.8
221.10773	6.3
222.11490	1.2
223.08693	4.5
232.11270	0.8
234.12938	0.8
235.12349	2.8
245.10822	0.7
247.12311	1.9
248.12897	0.8
249.10292	1.0
249.13742	0.8
252.08861	0.9
255.11276	8.0
259.12332	0.8
260.13141	1.2
261.13773	2.7
264.08881	0.9
265.09708	4.4
266.10425	2.0
267.11310	0.9
275.15479	5.8
276.16342	0.9
277.13391	0.9
277.16898	0.6
279.11307	13.2
280.11691	0.5
281.12854	14.0
287.11877	1.1
288.12537	1.3
291.11325	3.9
293.12805	1.5
303.14896	4.6
305.12842	4.0
305.16235	0.7
306.13916	0.9
319.14307	0.5
321.12045	0.6
321.15991	26.2
335.17548	100.0
336.17789	2.4
337.18924	0.9
353.18643	17.4
515.24023	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	515.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.6
67.41970	0.6
69.03387	2.4
69.40898	5.6
69.41300	1.2
79.05524	3.5
81.03388	1.3
81.07005	1.1
85.02857	2.2
91.05441	3.4
97.02907	1.0
117.07037	0.9
119.04826	0.9
130.06534	0.9
131.66435	0.7
137.05974	1.2
144.08093	14.0
158.09740	0.8
167.07277	0.9
168.08099	1.7
169.07523	0.9
170.09627	2.4
180.08090	1.0
183.09229	1.8
184.09911	2.1
185.10701	3.2
206.08391	0.9
208.09825	1.3
211.08636	2.3
221.10764	21.0
222.11392	1.8
223.12376	4.2
235.12329	1.9
247.12341	1.5
249.10223	3.2
261.13983	1.4
262.14758	1.0
263.15497	1.7
265.09613	1.7
267.11356	9.4
275.15436	2.4
279.11282	2.9
281.12881	26.7
291.14853	1.2
293.16562	5.0
303.14951	1.7
321.12515	1.2
321.16010	14.5
335.17636	6.5
337.19397	0.8
353.18649	100.0
354.19141	4.0
515.23999	62.3
516.24042	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	515.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49806	0.9
67.05510	1.4
69.03448	1.5
69.86376	3.7
70.71732	0.8
83.04980	4.8
85.02905	1.9
89.03922	1.6
91.05476	1.1
93.03399	1.9
95.04975	1.6
97.02876	1.2
98.21498	1.7
111.04447	3.9
117.03354	2.0
117.07024	1.7
118.06525	1.7
119.04995	1.5
123.04437	18.6
123.62289	0.9
129.06946	1.3
130.06523	2.4
135.04437	5.3
137.05946	3.0
139.03899	7.3
143.07321	2.3
144.08096	85.0
145.02858	2.6
145.08426	1.3
147.04404	7.6
148.07930	0.9
156.08128	6.8
158.09651	2.0
161.05971	2.5
161.10764	7.6
163.02568	1.6
163.03915	28.8
168.08083	4.3
174.05574	0.9
181.04942	3.4
184.07590	13.1
186.82610	1.0
196.07561	5.9
202.08641	2.8
216.70718	1.1
218.09642	14.0
221.06178	2.0
221.08136	1.0
234.07066	1.0
246.09187	13.6
249.05524	3.3
249.07845	34.7
250.08525	1.2
255.06779	1.0
262.08636	1.0
263.09402	1.3
264.10205	60.5
265.10544	1.2
277.04834	1.6
278.11707	2.3
279.08691	3.6
291.20740	0.8
295.06107	3.9
306.11215	7.4
314.96191	1.0
323.05551	7.9
324.12338	7.2
341.06564	1.4
354.13193	2.7
361.14719	0.8
452.17050	3.3
461.13486	1.0
498.17627	100.0
499.17947	3.9
515.12567	1.6
515.20227	18.6
516.19781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2027
Annotation	3,4-Dehydrostrictosidinic acid
Peak:m/z	Relative Intensity
53.03941	1.1
54.20961	0.5
55.01850	0.7
57.03434	1.2
61.02910	1.5
63.43304	0.5
67.05510	0.7
69.03431	4.0
69.78384	2.7
78.68656	0.5
79.05479	0.5
79.74848	0.5
80.04970	0.5
81.03415	2.4
85.02911	8.3
85.52906	0.5
91.05482	4.1
93.07004	0.5
94.06563	3.7
95.04963	0.6
97.02904	3.7
103.05473	1.2
104.01084	0.5
106.06591	1.1
107.04993	0.5
109.02850	1.2
113.55795	0.5
115.05440	0.6
116.04987	0.8
117.05759	1.9
117.07027	1.0
118.04159	0.7
118.06547	8.9
119.04916	0.9
120.08092	1.2
122.06033	7.0
127.03923	1.2
128.04973	1.2
128.06226	0.5
129.06992	1.9
130.06526	2.1
132.08104	3.0
134.06026	1.1
135.04408	1.1
136.07504	1.3
143.07297	2.1
144.08087	100.0
145.04968	1.1
145.06534	0.6
145.08392	1.7
146.06015	13.3
146.09674	1.1
148.07574	1.8
156.08105	8.9
158.09648	6.0
161.02319	0.5
161.10756	2.7
162.05521	3.0
163.03908	1.6
164.07036	2.4
174.05510	26.6
178.05145	0.7
180.06523	0.9
180.07953	0.6
181.05026	0.9
188.07005	0.5
190.04990	1.2
192.06580	13.1
192.08110	0.5
194.09718	1.8
205.08957	0.8
210.07623	14.8
217.08937	1.4
218.09618	2.8
219.10349	1.6
220.11211	3.3
231.10382	0.7
234.12801	1.1
236.10663	0.9
244.11377	1.0
246.09175	2.3
247.09872	0.8
247.12273	0.5
248.10777	1.7
262.12329	1.4
264.10284	1.6
264.13910	0.6
265.09741	1.0
265.13397	4.2
266.11734	0.6
272.10797	1.8
274.08575	2.4
289.13522	0.7
290.11838	1.7
291.14948	0.7
292.09772	3.3
292.12689	0.8
295.05991	1.2
300.10095	0.9
307.14172	0.7
309.16077	2.1
310.10718	3.1
317.12830	2.4
318.11301	2.1
323.05551	1.4
335.13907	12.9
336.12280	5.9
341.06656	0.9
353.14969	12.9
372.12912	1.9
472.16122	4.4
494.13370	0.6
497.19006	0.6
498.17816	1.3
515.20276	71.7
516.20929	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	515.2028
Annotation	Javaniside
Peak:m/z	Relative Intensity
53.03955	1.0
53.78408	0.6
59.69370	0.6
61.02938	1.0
62.14334	0.7
62.97982	0.6
65.37759	0.6
69.03423	2.8
71.33533	1.4
79.05482	1.4
81.03425	9.4
82.73489	0.8
85.02901	3.5
87.04451	1.2
95.04975	2.6
97.02898	2.1
117.07010	1.3
123.04449	1.0
127.03887	0.8
130.06517	0.9
143.07306	0.7
144.08096	18.0
151.03929	4.1
154.06496	1.0
155.07260	4.6
156.08134	0.8
167.07350	1.4
168.08101	2.3
169.07695	1.5
171.09285	1.1
182.08371	1.5
183.09180	6.5
184.09964	42.6
185.10748	20.2
192.08235	1.4
195.09174	4.8
207.09251	0.9
209.10745	16.7
210.11505	6.4
213.10255	2.2
219.09114	4.0
220.09862	1.6
221.10748	6.4
222.08029	1.2
223.08614	1.8
235.08644	1.9
237.10249	10.7
238.10956	4.3
239.11783	4.7
247.12280	5.6
249.10222	5.2
250.07401	6.7
255.11421	1.1
261.13901	1.2
263.08191	16.0
265.09741	83.7
266.10251	3.1
267.11322	3.1
281.09216	1.7
283.10779	13.0
284.11584	3.3
289.13406	3.2
291.11200	1.6
291.14905	0.8
305.12979	1.4
307.14310	0.9
309.15961	5.5
317.13074	2.2
335.13907	34.5
336.14185	0.9
353.14978	59.8
354.15466	1.4
383.28049	0.8
515.20300	100.0
516.20490	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01863	2.2
56.96553	1.5
56.97427	1.0
57.03431	2.6
61.02920	3.3
69.03437	10.6
71.49205	1.2
73.02930	1.4
79.05497	1.7
81.03393	5.5
81.83543	1.2
85.02908	16.3
87.04472	2.1
87.61422	1.1
89.03890	2.7
91.03971	1.1
91.05466	4.8
94.06561	3.8
97.02894	6.8
98.97586	2.6
99.04383	1.1
102.58223	1.1
103.05460	1.2
106.06511	1.8
109.02865	2.4
111.04359	1.2
115.11171	1.2
117.03405	2.0
117.05743	2.3
118.06539	14.5
119.04951	1.5
119.39445	1.2
120.08100	1.2
122.06016	6.9
127.03898	3.8
129.06978	3.6
130.06523	6.4
132.08089	2.5
134.06009	2.2
135.04395	5.3
136.07605	1.4
143.07344	2.7
144.08089	99.8
145.02840	1.9
145.04962	2.3
146.06009	17.3
148.07574	2.8
156.08095	12.1
158.08475	1.8
158.09633	6.6
162.05536	4.0
163.03914	22.5
164.04219	1.7
164.07091	2.7
165.06935	1.2
167.07365	1.7
168.08086	1.7
174.05519	31.4
176.06981	1.2
180.06477	1.1
190.37991	1.2
192.06558	14.8
193.06694	1.7
194.09636	12.6
204.08139	3.2
205.08907	5.2
206.09758	2.0
210.07605	19.8
217.08788	5.6
218.09669	11.2
219.10414	4.6
220.11235	18.8
221.05968	3.1
221.08235	1.2
222.09196	3.2
230.09602	3.0
231.10400	1.7
232.11151	2.8
234.12869	3.2
236.10800	2.6
244.11198	5.1
246.09114	7.7
247.10109	2.1
248.10777	5.1
249.05469	2.7
257.08420	2.4
260.10809	1.6
262.12360	5.7
264.10254	4.0
264.13843	1.9
265.13467	5.3
272.10739	5.3
274.08649	7.9
277.04974	1.7
290.11740	7.9
291.11722	1.1
291.14938	2.7
292.09756	15.6
292.13153	2.7
295.05939	5.7
300.10233	2.8
303.08948	2.6
306.11197	1.7
307.14490	1.8
309.15985	4.6
310.10760	17.4
317.12805	4.8
318.11118	6.0
323.05606	4.8
335.13919	20.5
336.12289	20.8
338.88004	1.3
341.06528	2.2
353.14972	20.5
372.13052	4.0
472.16052	22.9
498.17645	4.0
515.20239	100.0
516.20575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1181
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
52.47452	0.7
53.31462	0.7
55.01854	0.7
55.48203	0.8
65.03922	1.4
67.05495	2.9
67.71458	0.7
68.03876	0.7
69.03416	1.4
71.48039	0.7
71.81989	0.7
81.03403	1.3
83.04977	4.5
85.02937	1.7
89.03909	0.8
93.03394	1.5
95.04960	1.3
103.05457	0.7
107.04950	1.1
111.04436	3.2
118.16917	0.7
123.04417	2.3
129.05479	0.9
131.05031	0.7
133.02832	2.3
135.04364	2.0
136.05270	0.8
137.02347	5.2
137.05943	0.9
139.03911	2.0
141.06946	0.7
144.08092	5.9
147.04376	1.2
155.08548	0.9
160.05165	1.2
161.02283	1.4
161.95685	0.7
163.03905	11.2
165.06996	8.4
165.61577	0.7
169.06479	0.8
173.02350	3.8
174.05545	1.2
176.06194	1.2
177.06984	1.1
181.06474	1.4
187.03932	2.5
193.06490	5.1
194.09721	0.8
195.08031	1.0
197.05949	2.1
203.03305	1.3
205.06491	5.0
211.07564	3.3
218.09724	0.9
221.05988	28.7
223.07607	5.4
225.05476	1.6
231.02760	0.9
233.05980	3.8
239.07071	8.1
249.05476	41.3
250.06207	2.4
251.07071	6.2
253.05019	0.9
259.03830	0.8
264.10233	1.8
267.06546	8.4
269.08099	2.3
277.04956	29.6
278.05762	4.0
279.06473	9.1
281.04523	1.9
295.06009	80.5
296.06406	2.0
297.07556	3.1
305.04419	5.4
313.07089	5.6
323.05502	100.0
324.05911	1.1
324.12241	1.2
335.13925	1.4
336.12350	2.0
341.06561	32.0
353.14911	2.2
469.11160	4.4
472.16006	1.1
473.41650	0.8
497.10538	1.1
498.17850	1.2
515.11755	25.4
515.20074	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	0.8
67.05510	0.9
68.99763	1.0
69.03426	2.4
70.70407	1.1
77.44345	0.7
81.03439	1.2
81.13589	0.7
83.04968	3.0
85.02905	1.6
90.52506	0.9
91.05484	1.3
93.03419	0.8
95.04955	1.2
97.02881	0.7
98.31480	0.7
109.02879	2.0
111.04453	1.9
117.11366	0.6
131.04898	1.2
135.04419	0.9
137.02342	0.9
137.05959	2.2
144.08102	6.3
147.04465	1.3
156.08029	0.9
159.04440	1.5
160.05229	10.3
161.05969	3.3
163.03914	4.6
165.07016	2.7
167.08597	1.5
173.02495	0.7
174.05505	1.9
176.06235	0.9
177.07031	4.4
181.06459	7.8
187.03815	0.8
193.06473	2.3
195.08043	3.7
197.05893	0.8
205.06482	15.9
210.07487	1.0
211.07631	0.9
213.09294	0.7
221.03822	1.2
221.05992	29.8
223.07559	36.0
224.07979	0.9
233.05981	8.1
234.06786	2.0
239.07034	1.9
249.05486	23.6
250.06340	1.6
251.07065	43.1
252.07658	0.9
263.18878	0.8
267.06580	4.8
269.08099	31.5
277.04932	9.0
279.06424	1.7
285.07642	4.3
292.09781	1.1
295.06039	100.0
296.06485	1.5
309.15698	0.9
313.07092	43.9
314.07520	1.1
323.05539	11.4
335.14142	1.0
336.12473	0.8
341.06625	5.4
346.42053	0.8
350.33197	0.7
353.15012	1.6
399.78741	0.8
399.84055	0.7
469.11066	0.8
472.16031	1.3
497.10770	3.0
504.80280	0.8
515.11816	4.5
515.20172	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01866	1.1
55.05517	12.7
57.07070	3.1
59.04995	1.2
65.03941	1.5
67.05507	23.4
69.03442	1.0
69.07076	10.6
69.41735	7.1
70.06563	1.4
71.04994	1.9
71.08647	1.8
73.95702	0.8
79.05502	21.2
79.69776	0.8
81.03401	1.2
81.07061	22.8
83.04989	3.0
83.08623	6.1
85.06545	2.0
88.07616	1.4
89.06047	2.8
91.05489	17.9
93.06483	1.5
93.07051	18.2
95.04993	2.7
95.08613	16.2
97.06525	2.5
97.10167	3.0
102.09190	1.1
103.05464	1.0
105.07034	18.6
107.08607	10.6
109.06519	1.7
109.10167	5.8
111.08091	1.3
111.11758	1.1
115.05447	1.7
117.07034	11.0
119.08593	16.4
120.53510	0.9
121.06544	0.9
121.10145	4.3
123.08086	1.1
123.11745	0.9
125.09668	1.9
128.06216	3.0
128.24805	0.9
129.07010	11.7
130.07803	1.4
131.08574	17.6
133.08615	1.2
133.10133	11.7
135.08041	1.5
135.11716	7.1
137.09671	1.1
141.06985	3.3
142.07800	3.1
143.08569	13.0
145.10121	16.2
147.08012	1.3
147.11678	5.7
149.09608	1.4
149.13280	1.2
154.07794	1.9
155.08536	7.9
156.09343	3.4
157.10135	12.6
159.11693	11.2
161.13350	2.3
165.06908	1.4
167.08574	3.5
169.10121	10.4
170.10869	1.2
171.11722	12.5
173.13254	6.6
175.14944	1.2
179.08614	1.7
181.10126	5.5
183.11693	12.1
185.13286	9.4
187.14815	3.1
193.10176	1.4
195.11684	4.7
197.13269	8.4
197.68730	1.0
199.14865	4.0
207.11737	1.6
209.13338	4.6
209.46165	0.8
211.14890	3.4
213.16298	1.7
221.13376	2.1
223.14908	2.8
225.16412	2.4
235.14856	2.2
237.16428	2.5
239.17885	1.3
241.19650	1.1
249.16400	1.0
256.26361	2.5
257.19086	1.2
257.26633	1.7
259.20679	2.6
261.18561	1.9
265.19641	1.3
275.20215	1.4
279.93863	0.9
283.20676	1.1
283.26227	1.1
284.26682	3.0
287.19852	1.1
295.20755	1.1
297.22110	1.1
309.22025	1.7
311.23853	1.4
315.23126	2.0
323.23767	2.0
325.21655	1.8
327.23083	1.4
329.24805	1.0
335.23880	1.7
403.29910	6.6
411.32861	0.9
421.31082	16.8
439.32071	6.1
457.33072	2.9
459.32886	1.2
477.33725	2.1
495.34811	8.9
513.35803	100.0
513.50580	8.1
514.36053	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42311	3.1
55.05506	15.1
57.03430	5.1
61.02921	12.5
63.58240	4.4
67.05510	35.7
69.03443	5.1
69.07080	8.5
69.33391	29.5
69.58105	3.7
71.04990	3.5
72.32074	3.4
73.02934	6.4
79.05502	28.2
81.03416	5.4
81.07059	30.2
83.08643	3.2
85.02898	14.6
85.06545	5.5
91.03947	6.5
91.05480	29.3
93.07050	46.1
95.04973	7.9
95.08617	24.9
97.02873	11.7
97.06525	6.1
97.10188	6.9
98.20790	6.0
105.07036	36.5
107.08602	28.4
109.06522	4.7
109.10152	11.2
115.05459	4.5
117.07035	13.0
119.08591	26.3
121.10164	28.2
129.06989	10.2
131.04886	3.7
131.08534	16.9
133.10161	26.4
135.11708	20.0
143.08531	8.5
145.10068	18.1
147.11699	23.6
149.13254	19.2
157.10118	7.5
159.11732	15.2
161.13280	19.2
163.14793	4.4
171.11676	8.8
173.13269	11.3
175.14844	7.7
176.21858	4.1
177.12711	4.2
183.43382	3.5
185.13200	6.7
199.15007	4.4
202.79013	3.8
213.16444	4.5
241.19522	16.4
259.20633	47.7
271.20688	4.9
277.21649	9.4
333.24237	7.9
348.17853	3.7
351.25336	100.0
352.25552	4.6
399.48566	3.4
414.05389	4.0
441.26404	9.2
513.28088	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.47168	3.2
53.03956	3.7
55.05513	14.9
57.03440	7.9
61.02924	15.4
62.47673	2.9
67.05504	24.2
69.03434	8.1
69.07059	11.2
69.84753	16.5
71.05005	4.3
73.02921	6.4
79.05495	27.8
81.03423	3.2
81.07056	30.9
82.74651	3.0
83.08617	7.1
83.44018	2.7
85.02902	15.1
91.03931	4.3
91.04941	4.9
91.05469	32.5
93.07049	42.3
95.08614	24.8
95.57713	2.9
97.02878	7.8
97.10211	4.1
98.21532	3.2
104.24743	3.1
105.07034	33.4
107.08604	26.1
109.10161	10.4
117.07023	10.8
119.08587	33.2
121.10146	26.5
129.07025	6.3
131.08571	14.7
133.10141	19.7
135.11694	19.3
143.08536	5.1
145.10135	15.4
147.11710	23.3
149.13200	16.7
157.10112	10.4
159.11673	17.3
161.13217	15.8
163.14804	5.4
171.11697	5.4
173.13284	7.9
175.14799	8.2
183.11801	3.3
185.13333	7.9
199.14844	8.7
231.21230	4.0
241.19485	15.2
241.99065	3.7
259.20575	35.0
277.21643	4.3
333.24240	10.7
351.21140	6.4
351.25323	100.0
421.80203	3.7
434.00073	3.3
441.26413	5.1
459.27359	5.5
477.28412	4.5
477.35480	3.7
495.29169	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	513.1875
Annotation	Lyalosidic acid
Peak:m/z	Relative Intensity
57.03419	1.1
59.24332	0.5
61.02921	1.5
69.03442	4.9
70.96974	1.6
70.97780	0.5
72.23949	0.5
73.02907	0.6
78.40480	0.5
81.02998	0.7
81.03427	8.8
85.02913	8.4
87.04462	1.0
91.03905	0.8
97.02927	2.7
97.13181	0.6
99.04434	0.7
107.04980	0.7
109.02905	0.8
115.05430	0.7
127.03895	1.2
142.06548	0.6
157.08806	0.9
169.07626	1.0
170.08333	1.0
171.09132	1.6
172.07610	0.8
180.08083	1.1
182.08398	1.4
183.09210	7.8
184.09932	4.2
185.10754	1.5
187.08641	5.1
192.07994	0.8
195.09177	6.5
197.10745	1.7
199.08739	1.1
200.09550	1.1
206.08357	1.8
207.09192	16.4
208.09970	21.6
209.10750	17.1
210.11436	1.2
211.08699	10.3
219.09219	1.9
220.09941	1.1
221.07202	1.1
221.10689	6.1
222.11641	1.1
223.08669	6.2
224.09447	18.0
225.10220	17.3
232.10016	1.0
233.10765	1.9
234.11426	1.0
235.08673	19.4
235.12148	4.0
236.09451	12.5
237.10243	20.9
238.10921	1.6
245.10715	3.6
246.11565	5.1
247.12325	1.8
248.13165	1.4
249.10037	0.8
249.13898	3.8
251.08134	3.5
251.15514	0.7
252.08968	13.9
253.09755	19.9
256.36273	0.5
257.10654	1.3
258.11557	2.3
259.09747	1.0
259.12317	6.6
260.13077	1.9
261.10284	1.8
261.13885	6.5
262.11203	1.3
263.08215	4.0
263.11847	1.5
264.08926	4.5
265.09750	28.7
269.10980	0.6
271.12213	1.3
272.09473	0.8
273.10117	1.6
274.11108	1.0
275.11771	3.5
276.09137	1.2
276.12491	2.2
277.13342	9.1
279.14960	2.4
281.09229	100.0
282.09830	3.3
285.10248	1.2
286.11029	2.2
287.11807	11.8
288.12402	1.2
289.09866	2.2
289.13318	15.1
291.11487	1.0
303.11371	2.5
304.12161	4.5
305.12885	16.2
307.14447	9.8
315.08521	0.4
315.11310	16.1
333.12363	32.4
351.13412	88.9
352.13809	1.3
513.18695	50.3
514.19086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37554	0.6
52.88423	0.6
55.23977	0.6
67.43319	0.8
67.62988	0.8
69.37923	3.6
69.38340	1.7
78.80522	0.7
79.05479	2.6
81.07053	3.5
91.05476	2.2
92.94371	0.7
93.05797	0.8
93.07031	1.2
95.04954	0.9
106.06563	0.7
107.04935	0.7
108.08122	7.3
117.06999	1.1
118.06628	1.0
120.08125	1.0
123.11699	0.7
128.06215	0.9
129.06972	0.9
130.06522	2.4
132.08057	1.7
134.09645	1.9
136.11223	1.4
137.05983	1.1
143.07339	1.3
143.08592	1.8
144.08093	32.4
154.06567	2.6
154.08466	0.7
155.07288	2.3
156.08086	1.8
158.06030	0.9
158.09633	1.6
160.07689	1.3
160.83093	0.8
166.08600	1.4
167.07220	1.4
168.08096	2.6
169.07594	4.3
170.08321	0.7
170.09674	12.6
171.09187	20.8
172.11275	1.6
183.09227	1.1
189.10280	0.8
192.10185	1.6
194.09673	0.8
196.13312	1.6
197.10661	0.8
203.11728	0.8
221.07034	0.9
221.10777	14.4
221.12833	0.5
222.12764	2.7
223.12425	1.5
225.13892	1.8
235.12399	1.7
235.14568	0.9
236.09233	4.6
236.13072	2.5
247.12473	1.3
249.13918	12.7
251.15451	100.0
252.15785	1.9
275.15247	1.5
277.17059	1.2
304.18283	0.8
305.16559	0.8
321.15936	1.8
335.17560	3.0
346.19064	1.6
363.19461	0.9
378.21790	7.9
390.18179	1.4
422.20782	45.4
423.20917	1.6
512.20984	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05042	2.8
51.41591	2.3
53.03946	13.1
55.01875	48.5
55.05514	61.9
57.03440	26.3
57.07081	16.7
60.60643	2.1
65.03941	5.4
67.05507	79.7
69.03434	16.2
69.07066	23.4
70.04224	3.4
71.04987	13.8
73.02921	8.2
73.73595	2.4
79.05493	87.2
81.02928	5.0
81.03416	96.4
81.07056	71.1
82.04212	8.6
82.07392	2.7
83.04988	47.1
83.08620	38.3
84.02132	2.8
85.02905	38.2
85.06536	7.7
91.05481	85.0
93.07045	51.6
95.04971	70.1
95.08617	25.1
95.26941	2.7
97.02892	9.7
97.06525	23.1
97.10171	23.8
98.07282	14.3
105.04522	2.8
105.07037	45.9
107.04948	22.4
107.08602	30.9
109.06529	10.2
109.10140	17.4
110.07365	2.2
111.04415	12.0
111.08073	25.4
113.05985	5.6
115.05437	3.7
116.04703	4.4
117.07021	12.0
119.08587	41.5
121.06499	8.6
121.10146	26.1
123.08089	16.4
123.11709	6.5
125.09627	23.2
127.07629	4.1
127.11188	8.3
128.06223	2.2
129.05515	5.6
129.06995	24.4
131.08563	23.8
133.06470	6.0
133.10158	25.6
135.08081	4.9
135.11713	9.2
137.05992	5.4
137.09622	7.7
139.11143	2.9
142.07771	7.3
144.08145	2.5
145.10152	8.2
147.08046	7.3
147.11702	29.9
149.09613	13.9
153.12735	2.9
157.08795	4.0
157.10120	28.8
158.05754	14.3
163.11192	9.4
164.11923	3.0
165.12761	7.6
171.06561	18.5
175.11177	25.9
181.12245	5.4
185.08096	8.8
189.11230	4.3
191.10687	6.7
193.12251	89.9
199.09654	4.8
199.13342	9.4
201.14885	4.9
209.11734	10.5
210.12605	4.5
210.69121	2.6
211.13295	100.0
211.15321	5.4
227.12798	19.4
229.14375	5.1
241.14328	2.5
242.15137	4.4
249.14874	6.4
255.15947	10.9
267.15881	10.2
269.17413	4.8
283.15396	9.4
283.18970	3.6
284.16098	2.9
285.16901	15.4
288.00046	2.5
298.17920	3.2
311.18478	6.7
311.22061	5.8
325.20059	4.7
339.17987	16.7
339.21701	4.7
353.23630	4.0
367.21078	8.6
382.27145	7.2
383.22232	2.8
409.25815	6.4
439.26880	5.1
475.26981	8.4
476.28070	3.5
493.28024	10.7
494.28824	5.1
511.29669	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54516	1.4
53.03952	1.8
55.01860	3.4
57.03431	4.2
57.64443	1.5
59.04999	12.9
61.02927	6.4
62.62443	1.2
64.63107	1.4
67.05504	6.3
69.03431	13.8
69.07036	1.5
70.83702	2.6
70.84018	1.5
71.04998	19.6
73.02896	3.6
79.05511	7.9
81.03413	5.4
81.07056	27.9
85.02907	78.6
87.04485	1.9
91.03964	4.5
91.05489	4.5
93.07050	17.7
95.04981	4.9
95.08598	3.4
97.02888	20.0
99.04458	2.7
100.81308	1.7
105.07043	6.2
107.08592	15.7
109.02898	8.4
109.06531	10.0
109.10163	22.4
111.08070	8.7
123.11708	33.3
127.03923	18.6
133.10132	17.5
135.82813	1.6
145.04970	29.3
151.11186	100.0
153.12793	3.0
156.74278	1.3
163.03961	1.6
163.06007	14.7
169.12238	32.0
169.13687	1.9
193.08583	1.4
218.84019	1.5
221.26192	1.5
259.13361	2.1
295.15472	4.8
313.16476	7.7
325.11267	4.4
331.17404	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	510.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01871	2.5
55.05511	4.4
57.03436	4.8
62.06086	2.4
64.59613	1.8
67.05508	4.7
69.03432	16.0
69.37058	9.2
69.37469	3.3
70.01809	1.9
73.56087	1.7
75.04488	4.6
76.12020	1.9
79.05503	18.9
81.03421	17.4
81.07061	7.8
85.02911	9.1
91.05490	17.4
93.07050	98.5
95.04979	6.7
95.08606	5.5
97.02919	11.0
97.06543	2.8
105.04562	2.4
105.07036	14.8
107.08588	21.0
109.02884	6.8
109.06527	2.1
111.04507	4.0
111.08084	5.9
116.31892	1.9
119.08588	26.2
121.06519	5.4
121.10152	100.0
127.03943	5.2
129.07053	2.9
131.04944	5.5
131.08601	8.9
132.05760	4.3
133.06522	2.9
137.06036	3.2
139.11203	4.1
139.37839	2.1
145.04906	3.0
147.04408	10.2
149.09625	39.5
153.01787	2.9
160.05147	2.3
161.05983	4.4
167.07051	4.0
167.10690	32.0
177.05557	2.5
181.12198	2.5
192.07845	3.6
217.04932	4.0
233.03778	1.8
245.04498	2.8
273.03937	4.4
275.12653	2.3
283.15332	2.6
285.03854	3.0
293.13779	10.2
301.03378	5.0
311.14874	20.3
339.04996	2.3
357.06393	2.8
377.94720	2.0
461.08475	4.9
482.71994	2.4
493.11331	3.9
510.18619	4.2
511.12378	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85907	3.9
53.03943	15.9
55.01867	19.2
55.05515	67.1
57.03434	21.8
59.04967	4.5
65.03943	6.7
67.05505	84.3
69.03422	9.3
69.07064	24.8
70.28406	6.6
70.92219	4.3
71.04987	23.3
79.05492	100.0
81.03423	40.4
81.07054	87.5
83.04967	22.1
83.08619	33.1
85.02906	13.4
85.06528	9.2
85.16351	4.4
91.05488	61.8
93.06487	7.4
93.07050	91.4
95.04967	76.4
95.08614	42.7
97.06528	14.8
97.10172	34.9
99.08079	5.4
105.04490	6.9
105.07040	43.9
107.04958	53.2
107.08586	47.6
109.06516	54.4
109.10147	23.2
111.04433	17.2
111.08087	12.6
115.05463	8.7
117.06989	21.4
119.08583	22.5
121.06493	31.9
121.10126	41.8
123.08083	10.7
123.11705	6.7
125.09639	29.6
129.06972	14.6
131.08551	30.4
133.06493	8.8
133.10129	19.4
135.08035	25.1
135.11678	19.6
137.06030	7.9
137.09621	6.6
139.11118	5.5
143.08549	10.4
145.06496	12.7
145.10156	27.6
147.08047	9.6
147.11636	9.6
149.09628	16.1
151.07536	5.5
153.09091	7.8
153.12689	5.1
155.08525	9.1
157.10139	16.6
159.08083	6.5
159.11717	6.0
161.09642	10.2
163.11201	27.7
167.10669	16.1
171.10205	7.3
173.13281	7.8
175.11191	7.2
177.12714	4.8
181.12233	8.8
183.11627	4.9
187.11218	5.8
189.11314	23.9
189.12686	5.7
191.10670	7.5
191.14247	10.8
193.08426	5.1
193.12224	15.5
195.11806	8.1
199.13213	20.9
205.12198	7.0
209.11719	18.4
211.13307	14.8
215.14287	6.5
219.13820	43.7
223.13310	17.3
225.14900	7.2
227.12698	32.4
233.15331	20.3
234.97668	4.7
237.14833	12.4
249.14964	5.1
267.15939	11.8
273.14563	6.4
273.17050	14.5
283.15268	9.1
293.17584	28.3
300.07410	4.6
339.23120	6.9
349.21716	20.2
357.24219	4.6
367.22693	56.2
385.23730	39.6
403.19836	5.2
403.24738	16.9
417.26254	9.8
441.26163	6.0
453.32388	4.5
459.27451	52.0
477.28531	33.3
491.30536	22.6
509.27487	15.8
509.31232	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	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.0
53.03944	7.6
55.01880	13.1
55.05515	28.5
55.05790	1.4
57.03444	5.9
57.07066	2.9
59.04993	4.5
61.02912	2.0
65.03941	4.3
67.05508	74.0
69.03436	3.2
69.07072	13.1
71.01350	2.6
71.04998	66.1
71.49304	1.6
79.05497	56.0
81.03426	18.0
81.07059	100.0
83.01346	9.4
83.04990	24.3
83.08629	16.8
85.02901	4.4
85.06548	7.1
87.04464	1.0
91.05487	67.3
93.07048	62.3
95.04987	14.0
95.08616	23.4
95.60765	0.9
97.02902	4.3
97.06530	17.8
97.10180	3.5
99.04461	3.8
99.08094	1.7
101.06027	1.1
103.05464	2.0
105.04508	1.9
105.07034	36.7
107.04942	11.2
107.08598	37.4
109.06529	10.4
109.10159	12.3
111.04449	5.6
111.08080	4.7
113.06003	1.1
115.05525	1.3
117.07040	15.0
119.08593	14.1
121.06528	5.0
121.10145	17.6
123.08078	10.0
123.11710	22.0
125.05999	2.8
125.09654	3.0
129.06998	2.4
130.07831	2.6
131.08601	10.4
133.10143	36.1
135.08070	3.3
135.11694	20.8
137.09610	2.8
139.07578	1.5
143.08549	1.7
145.06526	1.7
145.10127	20.0
147.08122	3.3
147.11725	1.6
149.09645	1.6
149.13266	12.4
151.11198	19.4
153.12770	3.5
155.08540	1.5
159.11690	9.8
163.11189	34.2
165.12811	1.2
173.09622	5.1
177.12787	4.4
177.89661	1.0
181.12262	6.4
183.13809	20.7
187.13354	3.2
191.10712	4.2
195.13809	8.1
204.77255	1.1
209.11736	12.0
223.13373	1.8
227.12842	5.1
227.16470	2.2
257.17697	1.1
269.17548	2.4
283.15546	2.9
283.19156	2.8
285.16998	3.6
297.16998	2.5
309.17065	1.4
311.14917	5.6
314.54166	1.0
447.85364	1.1
465.28494	39.7
466.28787	2.1
477.28802	4.2
509.31256	62.8
510.32214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97868	3.2
53.03934	15.5
55.01632	5.5
55.01874	63.0
55.05515	80.7
57.03435	18.3
57.07063	15.2
59.04996	8.4
65.03936	4.7
67.05507	89.5
69.03437	17.4
69.07072	28.2
69.42182	23.3
71.01350	4.5
71.04993	17.3
71.08631	3.3
73.02910	9.2
79.05498	100.0
80.06276	3.5
81.03426	46.5
81.07058	78.4
81.45823	2.9
82.04175	13.5
83.01357	18.2
83.04504	3.9
83.04984	65.4
83.08632	29.6
84.02110	3.9
84.05755	4.5
85.02319	3.4
85.02887	13.7
85.06524	5.4
91.05486	85.5
93.06488	5.7
93.07047	87.7
94.07815	4.1
95.04980	43.0
95.08613	32.8
97.02879	14.2
97.06528	23.8
97.10173	18.2
98.07303	17.9
98.20763	6.9
99.04443	8.0
103.05460	4.3
105.04502	5.8
105.07033	41.1
107.04958	29.9
107.08595	45.4
109.06499	25.0
109.10149	17.7
111.04443	13.4
111.08084	11.6
113.60497	3.2
116.04688	5.4
117.05511	6.8
117.07040	24.8
119.08582	33.8
120.09304	4.2
120.47871	3.1
121.06503	17.1
121.10148	25.6
122.16190	3.4
123.04403	5.8
123.08076	33.1
125.05927	6.3
125.09616	23.3
127.11171	5.9
129.06999	11.1
131.08589	20.3
133.10138	16.6
135.08061	11.7
135.11691	40.6
137.09637	10.9
139.07602	4.4
139.43680	3.7
143.08589	4.3
145.10121	40.2
147.08080	6.3
147.11694	11.8
149.09616	6.9
151.39395	4.2
153.12720	13.5
155.08594	4.3
157.10123	6.9
158.05728	19.0
163.11179	69.8
165.12701	4.6
171.06537	14.1
171.76881	3.1
173.09622	10.2
175.11191	7.5
181.12231	11.3
184.07315	5.5
189.11295	4.6
191.10683	12.3
193.12231	6.6
199.09692	5.2
201.14799	10.3
209.11761	23.2
210.12523	6.2
211.13109	4.7
225.11143	5.7
226.12160	5.4
227.12715	20.1
255.15872	9.8
283.15442	13.5
295.10706	4.6
295.15408	4.1
309.17078	4.5
310.04712	3.5
311.22180	9.0
337.16513	32.6
351.17966	6.2
365.19620	22.0
379.24924	7.9
393.22665	3.9
406.88504	3.3
407.24103	6.1
408.24933	3.9
425.61121	3.8
463.26477	4.6
491.25891	5.6
492.27267	5.7
509.27429	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2752
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00305	9.0
53.03942	9.7
55.01884	13.2
55.05522	45.1
57.03453	14.7
59.05010	4.1
61.49426	2.6
61.92964	2.6
65.03949	3.1
67.05516	50.2
69.03430	10.8
69.07080	12.7
71.01368	2.7
71.04996	9.5
73.02905	3.1
79.05077	4.0
79.05506	51.4
81.03430	76.6
81.07071	63.3
83.04991	15.5
83.08636	42.1
85.02918	37.7
87.04455	2.5
91.05493	76.1
93.07063	44.7
94.07398	2.6
95.04992	36.4
95.08625	18.9
97.02905	11.8
97.06544	8.2
97.10167	10.1
98.21512	6.6
99.00835	26.6
99.08095	2.7
103.05485	3.0
105.06419	3.7
105.07059	58.5
107.04975	15.4
107.08609	19.0
109.02869	15.7
109.06531	11.7
109.10146	13.5
111.04465	8.5
111.08092	21.5
114.97175	2.5
115.03929	4.8
116.99290	2.7
117.07027	8.7
119.08605	31.2
121.06508	16.6
121.10166	11.5
123.08065	7.5
123.11732	5.9
125.09689	6.6
127.03918	3.0
128.06239	5.2
129.07016	11.2
131.08603	16.0
133.06522	7.1
133.10150	59.5
135.08092	3.7
135.11728	6.9
137.05991	6.4
137.09648	5.3
139.07584	6.4
142.07790	5.9
143.08601	9.3
145.10201	6.4
147.08040	7.3
147.11699	15.9
149.09663	8.6
151.11194	15.8
153.12717	2.7
157.10187	13.8
161.09647	29.4
163.11232	8.2
165.12801	5.2
171.08139	4.6
175.11172	15.5
179.10699	18.5
181.12138	2.6
189.09166	15.4
189.11055	2.3
193.12280	72.5
194.54512	2.8
197.11763	4.9
207.10120	7.1
209.11726	6.3
211.13316	87.4
219.13818	2.9
225.11252	17.4
227.12854	8.7
230.44077	2.7
266.12222	2.6
267.15811	3.8
281.13876	5.4
299.14926	4.8
389.23087	2.6
509.19437	6.6
509.27502	100.0
510.27811	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	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48798	1.3
50.54801	1.5
53.03943	2.1
61.20044	1.9
61.94752	1.5
63.48861	1.8
65.03952	2.0
70.11224	5.5
70.85675	1.5
71.88017	1.4
75.32229	1.4
79.05479	5.1
83.80923	1.4
91.05481	17.2
93.07038	2.8
94.04189	3.3
95.04991	3.7
98.20818	2.0
103.05505	5.7
105.07073	7.7
107.04957	6.9
109.06554	3.1
113.59033	1.6
115.05482	5.7
115.19527	1.7
117.07025	4.3
119.04983	9.3
119.06001	1.5
121.06528	6.8
122.03654	7.0
123.04411	2.4
123.08067	4.0
128.06259	4.0
129.04517	1.7
129.07019	9.2
131.04939	9.4
131.08548	3.5
132.05603	1.7
133.02921	1.9
133.06494	4.1
135.04385	2.1
135.08011	1.9
137.05986	100.0
143.04893	4.3
145.06519	2.9
146.03592	2.9
146.07323	3.0
147.04437	2.8
147.08070	2.6
148.05208	3.0
149.05978	5.8
151.03912	3.4
151.07542	48.3
157.06558	4.2
160.05269	3.4
160.45454	1.5
161.05986	83.5
161.09598	16.0
163.03935	2.9
163.07578	10.5
165.06923	2.6
165.09178	4.6
167.07014	2.5
167.08388	2.2
171.91364	1.5
173.37022	1.6
174.06822	7.5
175.07567	25.1
177.09143	4.8
178.07678	2.0
179.08469	2.1
181.06487	2.3
187.07584	2.5
189.07419	1.7
189.09117	45.5
191.08638	1.6
191.10712	1.8
193.06502	2.0
195.08287	2.9
195.10152	23.1
205.06526	2.9
207.08258	1.9
207.10150	42.0
209.06123	2.5
210.06931	2.2
211.07617	1.9
219.08063	4.3
221.06030	3.2
221.09608	2.3
222.06731	3.2
223.07545	3.1
224.08357	2.3
225.09109	4.4
227.07085	2.9
233.09454	1.8
234.06799	3.7
235.07574	3.9
236.08090	2.7
237.09180	7.4
239.07022	3.2
247.07582	2.8
248.08492	2.0
249.09145	7.6
250.06291	1.8
250.09877	2.0
251.07053	4.0
251.10725	3.8
252.07797	1.9
253.08638	5.5
262.06354	1.9
264.07877	1.8
265.08643	7.5
266.09241	1.8
267.10263	5.5
268.07285	3.0
269.08313	2.6
269.12042	2.2
270.08759	2.3
277.08685	7.5
277.12158	4.1
279.10229	5.8
281.08008	2.8
283.09692	6.5
285.11292	7.3
291.10114	2.8
295.09729	4.8
296.10318	2.3
297.11246	17.6
299.12924	4.0
305.11758	3.6
309.11270	5.1
311.12897	16.8
313.11044	2.4
317.14008	3.8
323.12646	9.2
325.14432	1.9
327.12021	2.3
337.14383	16.9
341.13965	3.5
355.15363	17.6
367.15442	4.8
461.20013	2.4
479.20441	5.7
509.20944	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	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
63.52654	1.1
64.53859	1.1
71.15057	1.1
71.15380	1.8
79.05485	2.6
81.07066	1.9
91.05499	11.7
95.04951	1.6
95.08596	1.6
103.05486	2.8
105.07010	4.4
107.04945	4.5
107.08562	1.4
108.05704	1.5
115.05453	4.2
117.07014	1.9
118.04148	1.3
119.04958	5.6
119.08586	1.5
121.06504	4.2
122.03628	3.1
128.06212	2.5
129.07022	7.2
129.63290	1.3
131.04916	3.9
131.08574	2.0
133.02797	1.8
133.06456	2.5
135.08124	1.3
137.05983	45.7
141.07048	1.3
144.45235	1.2
145.06491	3.0
145.26517	1.4
146.07281	4.8
147.08099	1.3
148.05165	4.1
149.05989	2.8
149.09569	1.2
151.07559	20.4
157.06499	3.1
161.05995	100.0
161.09604	22.0
162.06424	1.4
163.07549	4.4
165.09131	2.1
167.07069	3.2
173.05904	1.5
174.06754	4.1
175.07538	11.4
177.09093	4.8
179.03477	1.6
182.07249	1.7
187.07574	1.2
189.09125	49.8
193.06598	1.6
195.10123	10.3
205.06493	2.1
207.10172	66.8
219.10176	3.5
221.06013	3.0
222.06847	1.3
224.08505	1.3
225.09070	2.1
230.36147	1.5
235.07605	1.6
237.09125	3.3
249.09073	1.7
253.08633	2.8
265.08505	6.6
267.10217	3.3
270.08737	1.6
277.08640	2.4
281.08124	1.7
283.09805	2.3
285.11285	6.2
295.09552	1.4
297.11252	8.8
309.11209	2.5
311.12839	8.7
317.13879	2.0
323.12866	1.7
337.14328	4.3
347.14145	1.3
355.15472	5.7
367.15411	1.9
461.19421	1.7
464.97751	1.4
466.07828	1.3
479.20297	4.4
494.50977	1.4
509.19675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72504	0.7
69.26254	7.6
93.19786	0.7
95.48375	0.7
98.97585	0.9
101.00905	2.2
104.79368	0.8
119.01936	3.9
133.97881	0.8
136.08774	0.8
158.99814	1.9
177.00958	9.6
178.01080	1.3
201.00951	2.4
203.91798	0.8
216.99033	1.4
217.04099	3.0
219.02013	20.0
220.02202	1.3
225.00859	3.8
235.00034	1.2
240.98897	1.2
241.99136	1.2
242.98677	1.2
242.99265	1.4
243.01994	16.6
243.04337	1.2
244.02443	0.8
259.00034	4.3
260.00125	3.3
261.03067	100.0
262.03271	7.2
263.02939	2.7
275.54443	0.9
277.01062	2.1
278.01282	1.3
279.01007	1.6
282.99994	11.2
284.00116	7.8
284.04663	1.5
284.99741	10.7
285.99960	2.9
286.99664	3.8
301.01022	11.1
302.01154	7.3
303.00867	7.8
304.01053	1.2
305.00711	2.2
360.99847	2.1
367.02222	3.5
384.98868	1.7
385.03256	29.1
386.03464	1.1
399.98233	1.2
401.01489	1.5
402.01614	1.3
403.04813	20.7
425.01184	1.9
426.01416	4.4
427.00809	1.4
443.02054	3.3
444.02335	6.0
445.02628	1.8
490.96057	1.0
499.49121	0.9
508.96536	7.0
509.03265	13.0
510.02646	1.2
518.09583	0.9
527.01862	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	508.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85154	0.6
55.01855	1.5
55.05502	1.0
56.53653	0.6
57.03423	1.3
62.73357	0.8
67.05497	2.1
69.03433	1.6
69.07050	0.9
72.36191	0.8
77.03906	0.7
79.05122	0.8
79.05499	7.4
79.66404	0.7
81.03414	1.8
81.07061	1.6
85.02908	0.8
87.04434	0.8
91.05499	4.9
93.07053	1.3
95.04950	0.8
95.08612	1.5
98.20775	1.4
100.08974	0.7
103.05476	4.2
105.07037	25.0
107.04962	2.7
107.08588	1.7
109.06530	1.2
111.04504	0.8
111.08092	0.8
115.05453	2.0
117.07039	0.9
118.04158	3.7
119.04940	1.0
121.06471	2.1
121.10078	0.7
122.07329	1.4
124.05247	0.9
126.64630	0.7
132.01062	0.9
132.05630	1.1
133.06497	18.2
135.04384	1.2
135.08049	2.2
137.04236	1.4
137.05972	5.7
140.13948	0.7
150.01372	1.5
150.06796	7.6
165.03769	0.9
165.09122	15.6
170.02966	0.6
177.16357	1.0
178.16766	0.7
193.03221	2.4
193.08615	100.0
194.09122	1.1
195.04729	0.7
204.55655	0.7
206.28798	0.7
210.11215	1.1
282.36215	0.7
314.10565	3.9
508.29742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05500	1.5
57.03437	1.3
58.14837	0.6
58.99595	0.7
62.55404	0.6
63.55560	0.7
67.05492	2.0
69.03417	0.8
69.07061	1.0
70.56951	0.7
79.05498	7.0
81.03423	0.7
81.07052	3.2
83.05000	0.7
85.02892	0.8
90.04073	0.6
91.05471	3.3
93.07042	1.6
95.04960	2.0
95.08599	1.0
95.31757	0.8
103.05480	4.3
105.07040	21.8
107.04946	3.3
107.08598	0.8
109.06540	1.7
115.05437	1.7
117.06992	0.9
118.04143	3.2
119.04943	1.1
119.08582	1.1
120.05737	1.3
121.06514	2.7
121.10136	1.1
122.03643	0.9
122.07276	0.9
123.08096	1.2
124.05176	0.8
131.04932	1.0
132.01161	1.2
132.05684	0.8
133.06503	17.6
134.07269	0.9
135.04410	1.5
135.08064	2.4
135.11705	1.0
137.04268	0.9
137.05975	5.7
137.09634	1.0
148.05212	1.0
150.01347	1.2
150.06767	7.8
160.90393	0.7
161.06029	1.0
165.03734	2.1
165.09126	17.7
193.08617	100.0
194.09207	1.9
211.41344	0.7
314.10556	3.0
353.85068	0.8
508.20639	2.0
508.28802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82541	0.3
53.03932	0.6
53.67610	0.4
55.01878	1.2
57.03446	3.6
59.06511	0.4
61.02927	1.0
61.26042	0.4
64.20959	0.4
68.89885	0.4
69.03442	4.0
71.05006	0.7
71.49512	0.5
73.02929	0.8
81.03419	2.7
85.02441	0.7
85.02915	9.3
87.04436	0.5
97.02914	2.7
99.04448	1.2
103.03938	2.2
107.60266	0.4
109.02895	1.5
113.06033	0.4
115.03967	0.4
115.53775	0.4
117.05499	1.4
125.38811	0.4
127.03933	3.7
129.05421	0.5
134.00529	0.5
141.07016	0.9
145.04967	1.7
152.06268	0.5
153.01813	1.6
153.06950	0.6
154.02196	0.9
155.08514	0.5
159.06546	0.6
163.03885	1.2
164.04240	0.7
165.06999	1.6
168.05685	2.8
169.06512	5.7
170.07161	0.5
171.07962	0.5
181.06512	1.3
183.06595	0.5
183.08044	0.9
186.06807	1.2
187.07494	1.0
193.06538	1.0
196.05214	4.4
197.05994	5.8
198.06772	1.6
201.07581	0.6
201.09216	0.5
207.04431	9.8
209.06020	1.1
211.07571	15.6
212.08154	0.8
214.06241	1.9
223.07574	0.5
224.04767	0.8
225.05492	1.4
226.06311	0.6
229.08620	2.9
236.59201	0.5
239.07050	7.5
240.07724	0.8
241.08705	1.4
255.07498	0.4
255.10158	0.5
257.08224	1.9
271.09750	3.0
272.10455	100.0
273.10782	1.5
346.13983	2.2
403.43121	0.5
420.11200	0.4
508.19415	11.4
527.84680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01867	2.4
55.05515	18.6
57.03437	2.0
57.07077	42.3
58.07407	1.0
65.03929	3.3
66.10391	1.0
67.05508	58.7
68.02333	0.9
69.07068	20.6
71.04989	3.7
71.08239	1.7
71.08633	30.0
79.05495	26.6
81.03405	2.8
81.07059	75.2
83.04987	4.0
83.08622	25.4
85.06554	2.6
85.10190	15.2
85.48796	0.9
89.06026	1.1
91.05486	18.0
93.07044	36.6
95.04984	4.4
95.08612	38.3
97.06533	5.1
97.10173	7.3
99.08097	1.5
103.03137	1.1
105.04528	1.6
105.07040	6.3
107.04958	1.2
107.08591	21.1
108.60279	1.0
109.06513	1.3
109.10165	11.9
110.10556	1.0
111.08092	4.5
111.11713	2.2
117.07031	6.5
119.08620	1.7
121.06515	1.6
121.10142	10.7
123.11709	6.7
131.07736	1.0
131.08592	7.2
133.10123	9.7
135.08057	1.5
135.11687	7.5
137.13235	2.4
147.11734	1.4
149.13261	21.8
149.14381	1.4
151.11221	1.0
151.14777	1.3
151.75127	1.0
154.04965	1.0
159.11725	7.1
177.12685	4.6
182.98305	1.1
195.12132	0.9
195.13820	17.2
195.15475	1.3
197.77560	1.3
206.06387	2.5
213.14949	1.9
221.22578	1.3
229.39471	1.3
239.23700	10.0
267.06976	1.0
426.59930	1.1
460.01450	1.0
464.60632	1.0
507.11404	2.6
507.40552	100.0
508.40848	3.2
525.76251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52652	0.9
53.03937	3.5
55.01868	1.2
55.05273	1.6
55.05514	20.3
57.03418	3.0
57.07079	39.0
58.07382	1.0
65.03940	3.1
65.42110	0.9
67.05507	53.0
68.05831	1.4
69.06733	1.8
69.07072	23.1
71.04983	3.4
71.05370	1.0
71.08633	29.2
71.50738	1.8
73.02930	1.1
76.73457	1.1
79.05498	30.7
81.03416	3.9
81.07056	78.8
83.04977	3.0
83.08622	26.7
85.06532	3.5
85.10187	18.1
91.05481	16.9
93.07045	34.0
94.82193	0.9
95.04981	3.1
95.08611	36.0
96.08923	1.3
97.06554	6.2
97.10184	8.1
99.08105	2.9
99.11793	1.1
105.04522	1.3
105.07049	6.4
107.08597	19.6
109.06496	1.6
109.10158	15.7
111.08070	4.7
111.11733	1.7
114.98027	1.0
117.07012	6.7
119.08601	4.3
121.06544	1.2
121.10145	11.4
123.11700	8.2
125.09713	1.0
125.13230	1.7
131.08572	6.8
133.10138	8.7
135.08104	1.3
135.11714	7.1
137.13263	2.2
147.11697	2.1
149.13257	19.1
151.14839	1.6
159.11697	8.8
167.14391	1.2
176.59219	1.0
177.12733	4.0
191.53012	1.0
195.13799	9.3
213.14906	1.3
216.91661	0.9
239.23677	10.3
301.19647	1.2
507.40485	100.0
508.41055	2.5
508.81055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.08913	0.8
53.45075	0.7
55.01864	1.2
55.05514	17.3
57.03436	1.8
57.07079	43.8
65.03945	2.3
67.05507	54.0
69.07065	19.4
70.96117	1.3
71.04994	3.4
71.07525	0.9
71.08637	32.5
79.05497	26.6
81.03428	5.4
81.07060	73.0
82.03761	1.4
83.04990	3.5
83.08624	20.1
85.06544	3.5
85.10192	14.6
91.05485	17.3
93.07048	34.1
93.07640	1.7
95.04982	4.2
95.08610	36.4
97.06528	6.6
97.10172	8.5
99.08085	1.2
105.04543	1.8
105.07037	5.5
107.08595	21.2
109.06539	1.5
109.10163	16.3
111.08126	4.6
111.11720	1.3
117.07008	6.3
119.08599	3.2
121.06496	2.0
121.10158	10.3
123.11713	8.5
125.13286	1.0
129.06998	0.9
131.08577	6.1
133.10138	9.0
135.08093	1.8
135.11716	8.3
137.13284	3.3
149.13258	20.8
149.14384	1.4
151.11092	1.1
151.14777	1.5
156.85951	0.9
159.11728	8.6
165.16516	1.1
177.12701	4.4
193.12437	1.0
194.12639	1.0
195.13849	9.4
199.10757	0.8
210.52571	1.0
213.14859	2.3
239.23677	8.7
285.74734	0.9
507.40506	100.0
508.41470	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01862	0.8
55.05516	14.1
57.03427	2.1
57.07082	41.2
65.03939	2.7
67.05510	51.4
69.07075	22.1
71.04983	2.4
71.08640	28.5
79.05500	26.0
81.03428	4.5
81.07065	69.9
82.03736	1.0
83.04986	4.2
83.08625	21.0
85.06542	4.0
85.10192	15.4
91.05486	15.2
93.07051	30.6
93.07644	1.5
95.04974	4.8
95.08617	35.7
96.08969	0.7
96.10403	0.8
97.06538	6.2
97.10186	6.8
99.08085	1.8
99.11713	1.1
104.79147	0.7
105.04522	1.1
105.07049	5.8
107.08603	17.9
109.10164	14.6
111.08070	3.9
111.11683	1.6
117.07050	5.5
119.08586	2.5
121.06530	1.2
121.10149	9.0
123.11707	8.2
125.09659	0.8
131.08589	6.3
133.10164	7.8
135.08023	1.9
135.11710	6.8
137.13275	3.1
139.11177	1.0
147.11671	0.8
149.09612	1.1
149.13272	21.8
151.11237	1.1
151.14784	1.5
157.10077	1.4
159.11696	7.3
177.12784	4.1
195.13823	14.0
213.14900	1.9
221.22690	0.9
229.42555	1.3
239.23726	8.3
397.30692	0.9
507.40488	100.0
508.40872	2.3
521.08344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91861	1.1
53.03942	2.8
55.01872	3.6
55.05516	24.1
57.03435	4.8
57.07078	8.2
59.05008	3.2
65.03943	3.8
65.23701	1.3
67.05510	100.0
68.05847	1.5
69.03443	1.9
69.07067	17.0
71.04993	5.2
71.08627	4.1
71.49004	1.5
71.76739	1.3
79.05504	27.8
81.03437	6.9
81.06593	3.1
81.07066	57.3
83.05004	2.3
83.08627	16.7
85.06553	3.1
91.05485	22.6
93.06485	2.4
93.07049	33.6
95.04974	4.3
95.08613	38.3
97.06518	3.7
97.10175	13.2
99.08054	1.4
105.04532	1.5
105.07042	17.6
107.08601	23.7
109.06519	1.9
109.10166	56.8
111.08080	4.8
114.69660	1.5
117.07020	6.5
119.08589	15.5
121.10139	15.5
123.08121	2.0
123.11752	8.0
125.09644	10.2
129.07013	3.9
131.08571	8.9
133.10143	13.2
135.11717	9.7
137.09618	2.2
137.13298	4.8
139.11145	2.0
140.60905	1.7
143.08527	4.2
145.10109	8.7
147.11731	9.2
149.09673	2.4
149.13260	6.6
151.14926	1.4
153.09134	2.1
155.10660	2.9
157.10144	2.9
159.11707	9.9
161.13257	4.7
163.14944	3.2
164.36731	1.4
171.11626	2.4
173.11749	11.9
173.13280	6.0
175.14861	2.1
185.13232	1.4
187.14864	3.8
189.11189	7.2
199.14995	2.0
227.12727	8.0
229.14395	28.7
243.21089	4.2
247.20576	1.6
259.20511	2.2
261.22134	24.0
317.24771	4.2
335.25870	18.1
379.30075	2.6
397.30893	5.4
415.32037	6.2
433.32883	4.4
471.34937	3.9
489.35843	30.1
507.36880	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	507.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01867	6.5
55.05514	33.4
57.03445	5.9
57.07068	20.0
67.05507	78.2
69.03415	8.5
69.07069	27.7
71.04990	5.5
71.08611	13.8
79.05493	49.2
81.03403	12.6
81.06602	6.0
81.07059	100.0
83.04978	5.9
83.08628	21.6
85.10176	3.9
91.05496	43.2
93.07043	47.5
95.05001	21.9
95.08614	35.4
97.06518	7.3
97.10143	8.2
105.07029	46.3
107.04938	8.8
107.08595	38.7
109.06527	16.6
109.10164	47.7
111.08067	8.6
117.06983	9.9
118.91469	3.9
119.08572	21.1
121.06480	6.2
121.10159	17.4
123.08085	9.1
123.11702	11.3
125.09621	8.6
129.07001	3.8
131.08594	19.0
131.09398	4.2
133.10136	51.7
135.08047	8.5
135.11682	5.6
137.09593	6.7
145.02901	6.1
145.10104	16.2
145.25487	3.5
147.11670	16.9
149.09602	13.1
149.13260	13.5
151.01962	3.8
151.11198	24.0
155.08600	4.1
157.10197	6.8
159.11693	10.4
161.13272	6.6
163.11185	7.7
163.14830	3.6
169.10132	5.0
169.12239	5.9
171.11687	4.3
173.11729	5.4
173.13226	8.7
174.72887	3.1
175.15071	3.5
176.22185	3.5
177.05528	17.7
178.05833	10.8
179.06041	4.3
179.10741	5.8
181.52223	3.4
183.11691	4.9
189.11212	4.5
189.12756	3.6
193.12140	3.9
195.00308	17.2
199.91519	3.4
216.88948	3.4
218.74222	4.5
221.15436	4.9
223.13249	4.6
229.14343	7.8
239.17845	5.2
245.72791	3.7
249.14977	5.3
257.18811	7.6
261.22073	7.7
272.68808	4.1
275.17300	6.7
275.20071	77.0
283.76355	4.1
293.21103	25.5
313.27313	6.8
335.25790	5.2
337.70135	3.7
377.12875	3.6
489.35315	11.4
507.33582	5.2
507.39890	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	507.3318
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
51.71373	2.5
53.03934	6.2
55.01864	3.9
55.05513	25.5
57.03429	3.9
57.07060	12.6
63.72913	2.6
67.05499	40.8
69.07079	16.6
69.21655	27.1
71.04996	4.8
71.08608	4.7
79.05494	30.5
81.03409	9.8
81.07053	47.1
83.04977	7.8
83.08617	23.2
85.10183	3.0
91.05486	37.1
93.07047	35.6
95.04979	39.1
95.08621	24.2
97.06545	6.3
97.10156	8.7
105.07021	30.4
107.04964	11.8
107.08600	24.1
109.06522	8.6
109.10164	32.0
111.08080	6.5
117.07022	15.2
119.08582	28.4
121.06490	7.7
121.10152	15.5
123.08067	8.0
123.11697	4.1
125.09641	8.7
129.07005	3.5
131.08588	15.6
133.10139	46.6
135.08057	6.6
135.11691	11.6
137.09587	3.5
138.34175	2.6
143.08546	5.2
145.10114	19.4
147.08034	4.1
147.11708	16.3
149.09634	18.3
149.13246	6.6
151.11189	13.9
159.11681	10.6
161.09641	3.0
161.13264	3.8
163.11200	22.5
165.12759	4.3
171.68086	3.0
173.13277	6.2
175.11226	4.7
183.11626	2.8
189.58081	3.2
195.00386	5.3
197.13246	2.9
223.13225	25.7
239.18068	6.6
257.19000	13.0
275.20068	100.0
291.19641	4.0
292.87726	3.0
293.21085	29.9
374.36349	3.0
471.31119	4.5
507.33481	3.7
507.40720	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	507.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.6
54.11089	3.6
54.58587	2.8
55.01867	12.3
55.05515	34.2
57.03454	14.6
58.60338	3.0
65.31501	2.8
67.05179	5.2
67.05508	64.8
69.07069	14.9
70.06026	10.3
70.06437	6.6
70.37836	2.8
71.04983	6.3
77.03948	2.9
79.05499	96.2
80.01515	2.8
81.03421	19.7
81.07059	59.0
83.01359	8.0
83.04989	26.6
83.08598	15.8
85.02896	3.3
85.06528	4.0
91.05484	74.0
93.07047	100.0
95.04964	23.4
95.08607	33.3
96.64246	2.8
97.06537	11.5
97.10145	5.0
105.04473	3.1
105.07037	49.3
107.04970	17.0
107.08592	27.6
109.06507	13.0
109.10182	4.6
111.04443	8.0
111.08064	5.0
117.07016	12.2
119.08589	31.1
121.06506	4.8
121.10129	10.8
123.08054	10.1
127.07527	3.2
129.07007	17.6
130.07698	3.9
131.08548	10.0
133.10141	10.7
135.11699	18.9
143.08571	13.0
145.10130	25.5
147.08081	4.4
147.11707	39.9
149.63232	2.9
153.12794	8.2
155.08609	3.3
161.09567	6.7
161.13258	12.3
161.42799	3.3
163.11230	29.3
170.83499	3.4
171.11673	29.7
181.12227	11.8
189.12724	10.7
191.10704	8.2
193.12309	5.5
207.13794	34.3
209.11757	13.6
227.12784	10.7
281.17487	52.1
283.15408	59.7
439.08899	3.0
479.66037	3.6
489.28537	74.7
507.29489	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	506.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
55.05508	6.3
57.03444	12.0
57.07046	2.1
59.05006	1.3
61.02919	5.3
67.05507	5.3
69.03434	23.0
69.07069	6.9
71.01353	3.0
71.04996	3.0
71.48791	2.2
73.02925	40.5
79.05486	6.2
81.03415	5.7
81.07066	15.7
83.05017	1.8
83.08619	5.0
85.02913	44.3
87.04466	1.6
91.05489	6.5
93.07059	15.2
95.04961	2.0
95.08616	30.3
97.02905	26.0
97.10206	3.4
98.21369	1.4
98.68706	1.2
99.04458	2.2
99.08085	4.5
103.03938	1.5
105.07033	5.9
107.04954	1.5
107.08608	25.1
109.02856	2.7
109.10184	7.5
113.09650	2.8
115.03935	14.5
119.08627	7.4
121.10152	39.2
123.11703	1.9
127.03940	13.0
129.07016	2.0
131.08574	4.0
133.04970	16.1
133.06560	2.2
133.10139	4.2
135.11700	7.5
137.13292	3.8
143.08566	1.8
145.04973	15.2
145.10156	4.7
147.11728	2.9
149.13226	2.5
150.07654	2.1
157.10168	3.3
159.06383	1.4
159.11746	4.9
161.13263	2.1
163.06033	4.8
163.14868	2.4
171.11671	2.5
173.13264	3.3
175.14926	2.9
177.16402	100.0
183.11650	1.4
187.14894	3.0
189.16386	1.7
195.17487	6.3
197.13336	1.7
199.14774	2.3
201.16380	3.7
203.14380	1.8
209.13321	1.9
213.16403	2.1
217.07298	1.6
217.15915	2.0
219.17688	2.6
223.06052	1.9
225.16444	2.1
227.14293	2.0
231.17509	2.7
243.17464	3.9
259.08133	3.4
271.31772	1.7
273.18561	2.7
277.09213	1.4
285.18527	3.5
303.19611	3.7
321.20743	4.3
376.94763	1.3
388.94788	1.5
506.19876	1.6
507.29108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1137
Annotation	4-O-Galloylchlorogenic acid
Peak:m/z	Relative Intensity
53.03954	1.2
56.68461	1.0
58.00636	1.0
69.96810	1.1
70.59682	2.4
79.01849	2.1
79.05504	1.9
89.03924	11.2
89.99948	1.0
95.04977	1.2
96.81786	1.1
103.05490	3.8
107.04959	1.8
117.03383	12.0
125.02361	1.2
131.04947	4.8
135.04425	20.0
137.05992	2.5
143.03380	1.4
145.02852	12.1
145.03911	1.9
149.05962	3.4
151.03929	1.8
153.00578	2.1
153.01836	37.5
153.02922	2.6
163.03908	100.0
164.89270	1.1
172.03961	1.4
179.07120	1.4
204.06598	1.2
309.06039	5.8
319.08188	2.3
489.10278	4.1
516.30042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35915	2.2
53.03954	15.4
55.01879	28.8
55.05513	39.1
57.03428	8.1
57.07069	8.7
65.03953	4.2
66.23357	2.2
67.05509	95.7
69.03427	6.3
69.07069	19.7
71.01293	2.2
71.04975	3.0
71.27021	2.1
71.49023	3.7
73.02911	2.7
79.05498	100.0
80.06298	3.6
81.03417	23.1
81.07060	52.3
82.04199	10.1
83.04980	26.1
83.08618	17.1
85.02887	3.3
85.06540	5.7
91.05486	80.2
93.07046	83.5
94.07818	2.4
95.04966	37.8
95.08604	36.7
97.02895	6.5
97.06548	15.8
97.10160	9.4
97.90498	2.1
98.07307	8.2
99.04420	2.2
101.05950	2.2
103.05464	2.9
105.04445	2.5
105.07034	49.8
105.07702	4.3
107.04959	25.9
107.08607	25.0
109.06491	11.5
109.10145	20.3
111.04415	5.4
111.08094	6.4
115.05484	3.1
117.05488	2.5
117.07014	12.3
119.08581	36.3
120.09394	3.0
121.06509	11.1
121.10161	13.1
123.04436	2.8
123.08076	8.7
125.09643	11.4
127.11140	3.5
128.06221	3.6
129.07022	24.9
131.08588	12.3
132.01192	2.4
133.06476	3.2
133.10162	16.7
135.08035	4.4
135.11707	10.5
137.09583	4.1
139.07602	2.2
143.08578	7.8
145.10133	18.2
147.08064	7.5
147.10545	3.4
147.11688	42.2
149.09560	4.6
153.12772	3.8
155.08492	3.1
157.10130	4.8
158.05804	3.7
159.11699	4.2
161.09729	3.8
161.13229	12.6
163.11127	16.0
171.06543	6.2
171.11693	30.6
173.09604	2.4
175.11177	2.9
176.85481	2.2
181.12181	3.0
183.39641	2.2
189.12767	11.4
191.10641	4.7
193.12318	4.1
201.78828	2.2
206.13066	5.1
207.13800	32.7
209.11748	3.8
211.13280	4.9
221.81468	2.3
225.14798	3.9
227.12779	10.3
265.14072	2.4
268.25516	2.5
281.17432	10.7
283.15472	15.4
335.18472	5.6
399.56842	2.5
406.27240	4.2
435.27448	14.1
489.28442	12.0
507.29623	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	506.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	7.3
57.03459	18.4
59.04993	4.2
67.05505	11.1
69.03099	3.7
69.03444	55.1
69.07074	10.1
69.40422	6.0
69.40823	21.1
71.04997	5.0
73.02916	5.3
77.32503	3.5
79.05499	7.8
81.03419	5.0
81.07079	17.0
83.08643	4.6
85.02903	39.3
85.03368	3.6
87.04473	35.0
91.05521	5.5
93.07050	13.7
95.08622	27.7
97.02906	50.5
97.10193	5.0
98.20743	4.3
99.04498	4.5
99.08109	4.0
103.05468	4.2
105.07043	12.2
107.08602	24.6
109.10152	8.2
115.03935	58.1
116.00750	3.1
119.08600	11.6
121.10162	32.5
127.03926	3.8
131.04974	7.0
132.05330	6.1
133.04980	58.4
133.10152	6.3
135.11746	8.8
145.04982	4.8
145.10159	4.8
150.07643	12.6
157.10229	3.9
159.11729	6.7
177.16418	100.0
185.13319	3.4
195.17429	10.9
203.14302	4.2
277.09088	3.7
285.18652	3.7
321.20816	4.2
366.41107	3.7
424.99045	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65841	0.8
53.03955	5.5
55.01888	1.6
55.05510	12.4
57.03428	1.8
57.07077	51.9
58.44721	0.7
65.03943	2.7
67.05507	28.9
69.03428	1.9
69.07067	12.5
71.04986	2.4
71.08632	34.6
77.03910	0.9
79.05492	15.7
81.03419	100.0
81.07057	34.5
83.04984	3.7
83.08619	30.7
85.06543	1.5
85.10184	19.0
91.05478	23.4
93.07049	11.7
95.04969	27.3
95.08606	37.4
97.02915	1.8
97.06526	2.1
97.10171	8.4
98.21470	1.7
99.11721	1.3
100.12261	0.7
104.85579	0.8
105.07029	14.4
107.04959	6.0
107.08593	4.0
109.06536	2.4
109.10155	15.0
109.10844	1.3
111.03703	0.7
111.04460	1.5
111.08080	8.4
111.11729	1.4
115.05453	1.7
117.07050	1.7
119.04965	1.0
119.08582	10.7
121.06453	3.4
121.10174	5.3
123.04433	1.5
123.11692	9.0
125.09651	0.9
125.13300	1.9
128.06229	0.8
129.07001	10.5
131.08553	8.8
133.06512	3.1
133.10152	3.9
137.09676	1.6
137.13268	2.8
142.07802	3.3
143.08571	0.8
145.10097	1.3
147.08069	3.0
147.11682	7.9
149.09631	3.3
151.14923	0.9
154.54984	0.7
157.10118	10.5
163.11171	1.1
165.12820	1.6
165.16525	0.8
175.11189	9.6
185.13220	0.8
193.12248	57.2
194.12517	0.9
194.97289	0.8
221.22682	1.1
222.46078	0.8
229.14310	1.4
231.13823	1.9
239.23723	11.1
241.19662	0.8
249.14877	8.5
252.01926	0.8
259.20718	0.9
475.20953	0.8
487.32962	0.8
505.38904	99.6
506.39020	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.7
53.03944	6.3
55.01861	2.2
55.05511	10.1
57.03429	2.3
57.07076	43.9
67.05506	26.8
69.03437	1.7
69.07068	10.2
71.04998	1.7
71.08633	31.9
79.05495	13.7
81.03420	91.4
81.07054	33.1
83.04977	3.9
83.08621	28.9
83.09123	0.8
84.04182	0.8
85.06530	1.1
85.10181	18.4
87.96340	0.7
91.05486	17.9
93.07048	8.2
95.04972	25.3
95.08612	30.9
97.02879	2.4
97.06516	1.8
97.10160	7.9
99.08093	1.1
99.11743	1.3
105.07034	11.8
107.04950	5.7
107.08601	3.9
109.02879	0.7
109.06525	2.7
109.10157	14.0
111.04387	1.5
111.08076	7.6
111.11706	1.7
115.05474	2.2
117.07001	1.2
119.04903	1.0
119.08580	10.6
121.06509	2.8
121.10134	4.4
123.04436	1.8
123.08057	1.1
123.11719	5.8
125.09689	1.3
125.13286	2.0
128.06186	1.2
129.07002	10.4
131.08572	8.4
133.06512	3.0
133.10136	4.6
135.08018	0.7
137.09662	1.2
137.13229	3.8
142.07764	2.8
145.10101	1.2
147.08014	2.5
147.11659	5.6
149.09644	4.3
157.10126	7.7
165.12747	1.4
175.11176	9.6
185.13315	0.8
188.25130	0.8
193.12248	57.4
231.13930	1.5
239.23720	10.4
249.14883	7.8
272.18594	0.8
430.13419	0.9
482.38608	0.7
505.38934	100.0
506.39395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69788	4.4
55.05503	16.6
57.85056	4.8
67.05495	18.2
69.03419	5.5
69.07068	12.8
69.10330	4.2
69.96430	4.9
70.38348	4.8
70.64104	6.7
70.64446	10.4
71.04960	7.1
71.35741	5.0
79.05499	24.9
81.07061	51.6
83.04983	15.3
83.08593	10.8
83.46751	4.4
88.84556	4.4
91.05483	39.7
91.27268	4.9
93.07047	45.4
95.04950	13.1
95.08611	52.6
97.06528	15.1
97.54514	5.0
99.08093	12.5
103.05466	9.6
105.07037	73.9
107.04966	9.5
107.08592	66.4
109.06510	5.7
109.10168	24.2
111.08092	6.4
115.05419	7.7
117.07001	11.3
117.27539	4.2
119.08594	100.0
120.91483	5.1
121.06494	13.2
121.10145	46.9
122.03688	5.4
123.04392	6.4
123.08038	8.0
123.11711	15.8
125.06044	6.2
128.06253	7.0
129.07024	11.1
131.04904	16.8
131.08575	65.3
132.05254	5.6
133.10147	63.5
135.08069	12.1
135.11697	22.8
137.05984	43.6
142.07744	5.9
143.08563	22.5
144.09271	4.9
145.10132	86.3
147.04355	7.5
147.08043	8.7
147.11693	57.0
149.06006	9.5
149.09578	4.9
149.13243	16.7
151.03925	25.0
151.07530	11.9
155.08553	6.0
157.10089	22.9
159.11717	54.7
160.34827	5.8
161.05965	13.9
161.09657	10.6
161.13307	26.9
163.03906	15.9
163.07556	15.1
163.14819	20.1
165.09041	7.5
167.07083	15.7
170.10947	4.9
171.11697	22.7
173.13275	68.0
175.07600	5.8
175.11337	5.4
175.14856	46.1
177.05421	6.8
177.12854	7.0
177.16360	31.3
179.10722	5.7
181.05077	5.6
181.08508	5.0
183.11658	8.1
184.12463	7.2
185.13283	27.2
187.14836	98.4
188.14980	5.2
189.16412	31.6
191.14311	23.8
195.11694	5.2
197.13159	6.5
199.14789	25.3
201.12665	5.0
201.16376	68.8
202.20206	4.7
203.14351	36.5
203.17989	41.9
205.15891	79.0
209.15398	17.8
211.14734	7.3
213.16447	12.7
215.07030	7.2
215.14275	7.7
215.17961	11.1
217.15840	10.6
219.17487	10.8
221.15321	20.6
241.19730	6.6
247.17113	7.0
283.09570	5.3
321.11218	5.8
333.11298	6.3
387.30496	8.4
393.31451	7.7
405.31516	34.3
407.33142	5.5
411.33063	7.2
423.32666	37.8
439.32401	11.6
441.33847	5.3
451.32187	26.5
469.33032	29.0
471.17831	4.9
487.17090	8.1
505.16678	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3527
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.99362	4.4
51.06051	4.3
55.01857	8.0
55.05514	23.4
60.08006	4.4
67.05520	43.8
69.03438	5.2
69.07079	28.4
69.76271	23.7
79.05504	48.7
81.03403	21.9
81.07069	57.9
83.04979	14.8
83.08611	17.0
85.06544	6.3
91.05471	48.8
93.07040	54.7
95.04971	17.7
95.08611	63.8
97.06532	7.0
97.10172	12.1
98.20840	8.5
99.08079	12.1
99.59019	4.4
104.02229	4.9
105.07040	72.4
107.04971	8.7
107.07961	7.1
107.08593	57.3
109.06541	4.7
109.10159	23.8
111.08055	10.4
117.06993	23.6
119.08585	100.0
121.06500	14.6
121.10163	41.7
123.08070	11.4
123.11692	13.3
125.09608	10.4
128.99013	5.3
129.07024	8.2
131.08565	59.9
133.10143	63.9
135.08044	7.8
135.11674	32.7
137.09590	7.7
142.07753	8.6
143.08549	15.6
145.10138	66.7
147.08029	9.0
147.11714	54.4
149.09612	6.3
149.13255	17.8
155.08632	5.6
157.10138	29.3
159.11696	39.9
159.16359	4.8
161.09662	12.5
161.13261	21.4
163.14830	6.0
166.59952	5.1
169.10165	5.4
171.11710	14.7
173.13290	51.5
175.11200	9.9
175.14813	34.0
177.12782	8.5
177.16365	32.5
183.11734	8.1
185.13271	16.7
187.14815	78.2
189.12720	5.4
189.16389	19.6
191.14267	11.4
193.12268	7.8
193.15897	6.4
197.13206	6.7
199.14839	23.9
201.16396	66.9
203.14317	28.8
203.17989	11.2
205.15868	49.4
207.13788	5.1
211.14835	6.3
213.16374	17.7
215.14114	4.8
215.18024	5.9
217.15875	12.4
219.17380	11.8
221.15356	20.6
227.17880	5.5
283.20349	5.0
351.27328	4.6
375.30634	7.5
378.18484	5.5
387.30423	7.5
393.31281	12.9
395.32910	7.2
405.31915	22.5
411.32861	11.4
413.26736	9.6
423.32700	27.7
439.32053	8.7
441.33405	6.6
451.32074	10.9
459.34851	24.8
469.32950	14.2
487.30002	13.7
505.28082	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05510	2.5
57.07050	0.9
59.35440	0.7
62.02178	0.7
67.05515	6.2
69.07062	3.1
69.84547	1.6
69.84938	1.8
71.04985	1.0
79.05509	4.7
80.37801	0.8
81.03404	1.4
81.07063	10.8
82.82822	0.8
83.04989	1.3
83.08614	1.5
91.05464	4.7
93.07040	7.7
95.04989	2.0
95.08606	11.8
97.06538	0.7
97.10172	1.3
105.07037	9.1
107.08601	13.4
109.06506	2.5
109.10174	8.4
111.08082	1.5
117.07034	2.8
119.08591	11.2
121.06514	2.1
121.10154	11.2
123.08088	1.9
123.11748	1.1
125.09689	1.8
131.08574	8.2
131.89053	0.8
133.10130	5.3
135.08061	2.2
135.11664	4.4
137.09668	1.1
142.07738	0.9
143.08598	2.4
145.10132	12.0
147.11705	8.9
149.09625	1.3
149.13287	5.3
157.10127	3.2
159.11705	6.7
161.09673	1.5
161.13264	4.3
163.11168	1.6
163.14870	7.1
169.10101	0.9
171.11746	2.7
173.13290	5.6
175.11230	0.9
175.14864	3.1
177.16388	6.6
185.13226	3.3
187.14825	12.0
189.16396	1.8
191.14331	11.7
199.14854	1.5
201.16386	8.5
203.14313	4.1
203.17955	1.9
205.15881	36.5
213.16350	1.9
215.17990	2.7
219.17464	2.1
223.13245	1.1
227.18079	1.0
231.17323	0.9
241.19304	1.2
255.21289	1.7
284.37161	0.9
285.14667	1.0
362.58200	0.9
393.31711	0.9
397.06628	0.9
405.31448	2.6
411.32739	0.9
423.32330	2.2
441.33582	4.4
459.34723	100.0
460.34866	3.1
505.27759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.9
59.26528	2.7
65.03914	2.5
67.05497	15.5
69.07066	9.4
69.34984	22.9
79.05499	14.9
81.07059	26.8
83.04975	5.6
83.08607	7.7
85.06509	2.8
88.24987	2.7
91.05485	24.4
93.07057	41.2
95.04961	4.8
95.08609	36.7
97.06548	8.1
98.20786	6.6
99.08098	13.4
102.97357	2.7
105.07037	58.7
107.08603	44.6
109.06511	4.9
109.10160	12.8
117.07030	10.8
119.08590	100.0
121.06480	5.7
121.10139	37.5
123.08078	9.0
123.11697	8.2
131.08583	52.4
133.10135	53.4
135.08049	3.9
135.11726	23.1
137.06029	7.7
142.07825	3.9
143.08566	12.4
144.09338	3.9
145.10143	57.4
147.08017	5.0
147.11705	55.3
149.09644	5.4
149.13274	9.9
151.03900	16.8
155.08586	4.1
156.09433	3.7
157.10155	21.3
158.10907	3.4
159.08154	2.9
159.11707	41.0
161.05968	3.5
161.09676	7.4
161.13266	15.5
163.14798	8.4
169.10135	5.8
171.11703	14.7
172.12424	3.8
173.13255	32.5
175.11229	3.3
175.14845	28.7
177.12791	6.9
177.16394	32.4
183.11644	3.3
184.12469	4.1
185.13306	19.4
187.14839	80.1
189.12714	5.7
189.16437	21.2
191.14331	11.0
193.15892	4.1
197.13277	6.5
199.14818	29.1
201.16406	46.8
203.14320	28.0
203.17924	7.1
205.15892	46.7
211.14842	4.7
213.16350	14.5
215.14307	4.5
215.18018	6.9
217.15979	11.0
219.17484	10.1
221.15431	11.4
223.14801	3.5
225.16293	4.1
229.15956	6.2
231.17345	5.1
235.16954	6.2
243.17418	5.5
279.08710	5.0
283.20605	4.0
333.25809	3.8
335.23874	3.5
351.26736	3.8
353.24164	2.8
377.31815	4.2
387.30441	4.9
393.31589	15.4
395.33090	9.3
405.31604	28.0
411.32596	14.9
423.32645	33.6
439.32129	8.7
441.33652	5.3
451.32346	13.4
469.33151	24.9
493.04712	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89300	6.0
55.01871	7.1
55.05508	15.6
55.57539	4.8
56.85830	4.8
66.11106	4.7
67.05518	20.3
69.07076	16.7
71.48557	8.7
79.05507	14.3
80.24171	4.6
81.07069	41.2
82.41399	5.0
83.05003	6.7
83.08630	10.2
91.05473	26.2
93.07045	28.4
95.08619	55.6
105.07032	56.3
107.04943	6.7
107.08609	55.6
109.06519	7.7
109.10172	25.8
115.05497	7.8
117.07014	15.3
119.08582	100.0
121.06528	10.0
121.10146	44.5
123.11716	8.4
129.07024	9.2
131.08569	44.3
133.10155	41.4
135.08049	11.4
135.11719	13.8
137.05925	6.2
143.08609	10.5
145.10152	60.5
147.04521	6.9
147.11670	35.3
149.09605	8.6
149.13313	15.8
150.13487	6.0
151.07605	6.8
157.10133	23.3
159.11703	59.7
161.09721	7.7
161.13264	30.4
163.11198	8.4
163.14859	11.0
171.11705	12.2
173.13249	52.0
175.14775	30.7
176.15160	6.6
177.12697	8.7
177.16386	28.2
185.13252	22.5
187.14827	57.7
189.12675	7.3
189.16402	16.1
191.14340	53.3
191.15915	7.6
199.14828	21.2
201.16418	51.7
203.14319	52.8
203.18005	16.7
205.15878	49.1
213.16318	8.1
219.17485	15.9
221.15359	13.1
223.16940	6.8
231.17393	6.1
235.16779	6.0
247.16953	6.2
365.81259	5.5
393.31400	19.6
405.31592	22.0
411.32654	13.4
421.30823	6.3
423.32538	41.2
439.32129	7.1
441.33716	63.8
451.32254	11.1
469.33368	12.1
487.34070	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82198	3.8
53.03948	10.1
55.01871	30.8
55.05518	46.3
57.03434	6.5
61.65550	3.9
64.14064	4.6
67.05183	7.3
67.05509	100.0
68.05840	4.4
69.03436	5.9
69.07076	42.4
70.64408	12.6
71.05006	8.7
79.05498	65.6
81.03429	11.3
81.07063	95.0
83.00077	4.6
83.04981	15.4
83.08611	23.3
85.06573	4.2
91.05485	85.9
93.07053	75.5
95.04978	18.7
95.08614	65.6
96.48589	3.3
97.06541	34.9
97.10208	20.4
97.10753	3.9
105.07033	76.0
105.07700	5.9
107.04955	10.0
107.08598	43.7
108.77773	4.2
109.06543	10.7
109.10160	45.8
111.04424	23.1
111.08097	12.6
117.07032	28.8
117.13529	4.0
119.08588	58.7
121.06520	9.4
121.10170	27.3
123.08129	6.1
123.11705	7.3
125.09649	10.8
125.32291	4.5
128.06223	5.1
129.07028	27.9
131.08572	44.8
133.10109	37.0
135.08128	11.3
135.11736	17.1
137.09689	4.8
141.06981	6.9
143.08522	24.1
145.06493	5.4
145.10130	29.6
147.08054	7.0
147.11690	28.8
149.09590	11.4
149.13278	8.3
151.11229	5.2
153.09122	10.6
155.08554	13.2
157.10106	20.0
159.11732	14.4
161.09662	7.7
161.13264	11.0
163.11172	9.6
165.49272	3.9
169.10172	14.5
171.11726	14.1
173.13303	13.6
177.12743	4.2
178.75938	4.1
181.10101	9.6
183.11740	12.3
185.13284	14.0
189.11227	10.2
189.12759	6.0
195.11621	5.5
197.13266	10.1
199.14928	6.0
209.13170	5.2
211.14923	6.1
229.14381	9.6
235.16989	12.9
259.20569	7.1
273.18527	9.1
275.17276	6.1
275.20038	38.1
276.20291	5.4
291.19873	11.4
293.21182	11.9
301.21664	6.8
339.23181	4.7
347.50388	5.0
357.24301	6.4
371.25494	4.7
373.27380	5.9
375.25473	16.3
433.31158	14.0
451.32104	21.6
459.34894	5.0
469.33017	39.1
487.34259	32.8
505.34714	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	505.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.9
56.38512	4.9
67.05514	25.6
69.07075	13.1
71.48339	8.1
79.05493	20.5
81.07072	42.9
83.04947	8.7
83.08620	6.0
85.06540	6.3
91.05495	38.2
93.07063	34.5
95.02763	4.9
95.08624	62.9
105.06383	9.9
105.07047	74.3
107.04987	8.4
107.08623	59.3
109.10183	22.6
111.08115	10.4
117.07046	15.5
119.08592	100.0
121.06512	9.3
121.10177	44.9
123.08082	22.8
123.11755	11.2
129.07016	7.9
131.08582	46.1
133.10135	42.2
135.11745	13.9
137.06009	16.2
137.09711	5.4
142.07765	5.8
143.08600	15.5
144.16965	5.2
145.10147	84.5
147.08047	7.1
147.11708	27.0
149.09633	6.6
149.13261	20.2
156.09404	6.1
157.10150	16.4
158.10855	6.3
159.07993	6.5
159.11732	58.7
160.55678	5.0
161.09671	12.1
161.13269	29.9
163.07597	8.2
163.14890	11.9
170.10962	6.8
171.11732	13.2
173.13278	52.2
175.11263	6.6
175.14848	33.9
177.12724	9.9
177.16454	40.7
185.13257	19.6
187.14848	99.8
189.12747	13.5
189.16418	37.9
191.14352	39.1
193.16023	6.3
199.14868	21.8
201.16403	68.6
203.14323	27.7
203.18028	15.9
205.15919	87.7
213.16359	13.6
219.17488	6.1
221.15448	10.8
229.15894	11.1
231.17455	7.5
243.17508	6.9
247.16982	5.8
375.30484	9.0
393.31561	34.3
405.31528	30.6
411.32422	34.8
423.32706	39.5
439.32068	8.6
441.33813	7.2
451.32141	22.4
457.33148	8.4
469.33215	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	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.5
57.07083	1.6
58.04328	1.0
62.66646	1.3
66.12888	1.2
67.05499	7.4
67.26961	1.1
69.07058	4.3
69.45731	1.4
70.61909	1.7
70.62268	2.3
75.49769	1.3
77.27890	1.3
79.05483	6.5
81.03423	1.5
81.07061	13.4
83.04992	2.6
83.08604	3.8
83.09367	1.0
85.71220	1.2
91.05479	8.8
93.07044	13.3
95.04962	3.8
95.08614	14.5
97.06528	1.8
97.10129	1.4
105.07036	14.7
107.04936	1.5
107.08589	20.8
109.06487	1.4
109.10153	8.7
111.08060	2.0
117.06988	3.3
119.08591	20.7
121.06493	3.6
121.10146	12.1
123.08069	4.5
123.11723	2.6
129.07016	2.3
131.08589	10.1
133.10144	13.9
135.08057	2.8
135.11694	4.9
137.09599	1.7
142.07745	1.2
143.08562	4.0
145.10124	13.4
147.07889	1.2
147.11711	10.7
149.09621	1.6
149.13246	5.3
151.11201	1.4
155.08623	1.2
157.10146	3.6
159.11707	9.9
161.13258	5.1
163.11191	3.1
163.14838	8.7
163.34558	1.1
165.12737	1.8
169.10088	2.3
171.11679	5.7
173.13304	8.5
174.84337	1.4
175.14824	6.9
177.12701	1.3
177.16338	2.7
183.11714	2.6
185.13292	4.3
187.14815	12.5
189.16402	4.2
191.14319	6.5
194.08704	1.3
199.14809	4.5
201.16382	17.4
203.14334	3.3
203.17984	4.6
205.15897	12.2
209.15320	8.1
211.14871	1.9
213.16438	2.6
215.17873	2.1
217.15881	2.0
219.17542	2.2
221.15396	2.0
229.15942	2.4
229.19414	1.8
231.17363	1.1
233.15453	1.3
235.16934	2.0
241.19637	2.6
243.20985	1.5
247.16898	6.5
255.21016	2.8
269.18860	1.3
269.22510	1.4
316.41528	1.4
363.25253	5.2
389.26892	4.1
405.31619	3.4
423.32346	3.5
433.31146	1.6
440.38251	1.3
441.33444	4.6
451.31909	5.0
459.34720	100.0
460.35165	3.3
469.33139	2.4
505.34857	3.2
506.16156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19605	1.4
53.03936	1.4
55.05502	4.5
57.03422	1.3
62.01765	1.1
67.05513	10.6
69.07056	4.2
69.32209	2.3
69.32612	7.9
71.08643	1.4
79.05508	9.3
81.03422	3.2
81.07063	13.0
83.04955	2.4
83.08647	2.0
91.05483	8.2
93.07055	10.5
95.04978	2.9
95.08617	14.4
97.06538	1.9
97.10220	1.6
98.21528	2.2
105.07040	14.7
107.04967	1.9
107.08607	17.5
109.06499	3.4
109.10156	7.9
111.08053	2.3
112.76991	1.4
117.06998	3.6
119.08605	18.9
121.06503	2.3
121.10139	11.8
123.08057	4.7
123.11716	1.7
125.24452	1.1
131.08591	9.1
133.10152	11.8
135.08069	3.4
135.11700	5.0
137.05962	1.3
137.09631	1.7
141.79503	1.3
143.08516	2.7
145.10136	13.2
147.04424	3.8
147.11691	11.1
149.09616	3.0
149.13255	4.5
157.10149	5.2
159.08017	1.5
159.11673	7.7
161.09641	1.6
161.13263	4.8
163.11267	2.3
163.14856	8.4
171.11725	3.0
173.13242	7.7
175.11157	1.7
175.14880	6.9
177.12730	1.9
177.16345	3.2
185.13297	5.7
187.14818	11.8
189.16417	3.6
191.14319	9.2
199.14828	3.8
201.16397	19.1
203.14310	3.5
203.17882	6.3
205.15875	11.2
209.13397	1.5
209.15388	5.9
213.16447	2.7
215.17854	1.7
217.15956	1.9
219.17493	1.6
221.15341	2.1
225.14146	1.2
227.18077	2.0
229.15858	2.1
229.19543	1.5
231.98779	1.6
235.16838	1.6
239.18115	1.6
241.19437	1.8
247.16959	6.0
255.21005	3.1
301.21564	1.7
363.25320	5.5
389.27063	2.8
405.31256	3.6
423.32391	2.1
433.30780	1.4
441.33588	4.1
451.31955	4.7
459.34729	100.0
460.35040	4.1
505.11087	1.7
505.28220	1.7
505.35138	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	505.3524
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03935	16.9
53.95842	14.0
55.05497	36.7
67.05491	55.0
69.03425	38.1
69.07080	25.6
69.48908	36.7
69.49326	86.2
79.05482	64.3
81.03423	22.4
81.07044	71.4
83.04957	26.9
83.08653	19.3
91.05476	55.3
93.07032	58.3
95.04957	46.8
95.08604	52.6
97.10159	15.5
105.07032	58.6
107.04942	24.3
107.08595	63.6
109.06528	17.1
109.10141	29.5
111.08167	14.2
117.07072	25.4
119.07834	15.9
119.08559	86.2
121.10158	30.3
123.08123	15.7
131.08542	42.6
133.10110	50.4
135.11702	20.8
143.08597	21.2
145.10126	57.5
147.11679	21.5
149.13339	15.9
157.10152	20.9
159.11656	20.4
159.27467	16.3
161.13307	33.6
163.11192	22.8
163.14896	18.8
166.23405	15.4
173.13206	17.6
175.14896	26.2
187.10928	13.9
187.14790	38.2
189.16406	39.1
192.76855	15.5
199.14740	20.0
201.16434	37.8
203.18167	16.6
210.85716	14.7
217.15784	19.9
223.13364	50.7
235.17014	16.9
235.98969	15.4
240.78603	14.5
423.32779	26.9
451.32227	19.7
469.33359	100.0
505.27972	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20996	0.3
53.03943	0.9
55.01875	0.5
55.05515	4.8
57.03445	1.6
57.07081	4.2
59.04992	0.3
65.03969	0.4
67.05511	7.2
69.03436	0.6
69.07072	3.1
70.66515	0.3
70.66830	0.6
71.05000	0.5
71.08635	3.0
77.03928	0.3
78.04742	0.6
79.05496	3.7
81.03423	7.2
81.07057	6.1
83.04975	0.7
83.08627	4.4
85.06007	0.3
85.06511	0.4
85.10168	1.7
89.03921	6.0
91.05479	3.4
93.07043	3.8
95.04979	2.7
95.08612	5.0
97.06526	1.0
97.10170	2.2
102.04620	0.3
103.05457	0.4
105.07024	2.4
107.04945	0.5
107.08594	1.8
108.08893	0.3
109.06521	0.5
109.10168	3.7
109.10885	0.5
111.08076	1.0
111.11728	0.4
117.03384	15.9
117.07003	0.6
117.89635	0.3
119.04887	0.3
119.08586	2.8
120.34623	0.3
121.06509	0.4
121.10164	1.9
122.05260	0.3
123.11703	0.6
125.09645	0.9
129.07033	1.0
131.08578	1.6
133.06535	0.5
133.10132	1.5
134.03668	1.3
135.04410	1.0
135.11690	0.8
142.07756	0.4
143.08556	0.6
145.02850	44.2
145.10106	0.8
146.03180	0.7
147.11693	1.0
149.05994	6.4
149.09651	0.4
149.13263	0.5
157.10153	0.8
158.06076	0.4
159.11697	0.5
161.13275	0.6
163.03896	0.9
173.11813	0.6
173.13319	0.5
175.11156	0.9
177.05476	100.0
178.05867	1.4
185.13232	0.4
186.05505	1.6
189.11229	0.9
193.12254	4.2
195.06483	1.5
216.75903	0.3
227.12718	1.0
229.14328	0.8
239.23685	1.1
241.19633	0.3
249.14865	0.5
251.09070	0.4
259.20596	1.2
287.57919	0.3
333.24255	0.7
479.88062	0.3
487.33884	0.5
505.31741	2.1
505.38596	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	505.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05808	1.4
55.05502	1.8
57.03434	3.7
66.69859	1.3
67.05492	2.1
69.03437	14.2
69.07072	1.9
70.21272	2.5
70.21660	2.7
73.02889	2.5
79.05482	3.2
81.03439	1.6
81.07058	10.3
85.02923	12.8
87.04446	5.4
91.05478	4.4
91.28323	1.5
93.07030	6.3
95.08607	12.2
97.02889	10.5
99.08112	2.7
102.05421	1.4
105.07041	11.6
107.04951	2.4
107.08575	7.1
109.10123	2.1
114.57288	1.6
115.03932	10.6
119.08588	37.8
123.11736	2.0
130.59059	1.5
133.04976	9.2
133.10135	47.7
135.11728	7.9
136.86102	1.4
137.06010	7.7
138.06270	2.3
145.04970	3.3
147.11697	2.8
151.03905	6.6
163.03986	3.6
163.46008	1.7
175.14836	100.0
176.07903	1.8
193.15874	13.4
211.16895	6.7
252.70424	1.4
259.08112	1.7
279.08679	1.9
317.18906	1.6
352.93338	1.5
355.81659	1.5
505.17148	3.0
534.54797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.0
57.03230	2.0
57.07062	10.0
60.04531	10.9
63.89498	1.9
67.05497	3.7
69.07067	12.9
69.20605	5.9
69.21024	15.8
71.08624	5.2
79.05481	2.8
81.07058	40.1
83.08620	9.6
85.10186	2.9
91.05479	3.5
93.07040	4.4
95.08649	4.5
97.10147	4.5
98.21535	4.4
107.08560	2.8
108.08080	2.8
109.10120	2.6
110.27419	2.0
114.85847	2.1
120.08121	4.2
136.07594	3.2
137.06039	3.5
138.09152	62.3
138.10246	3.4
139.07552	30.7
150.09167	5.4
151.09933	2.5
154.08640	50.8
164.07085	65.2
167.07091	8.4
175.07527	2.9
178.08553	2.7
180.10133	11.0
182.08124	15.5
192.10141	11.6
196.09656	4.0
198.11365	4.4
426.37177	7.8
444.38382	100.0
462.39230	3.3
486.39447	62.6
504.40332	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	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20990	0.7
53.03740	0.9
53.03950	7.1
53.58337	0.7
54.09302	0.8
55.01884	4.1
55.05514	46.4
57.03437	2.4
57.07077	15.4
65.03938	1.6
67.05508	21.2
69.03432	2.4
69.07072	46.2
71.04990	3.0
71.08640	10.6
71.49271	0.7
71.49628	1.0
79.05492	19.4
80.70343	0.7
81.03421	100.0
81.07059	19.7
83.04977	4.8
83.08622	52.6
85.06537	1.0
85.10177	4.0
91.04908	1.2
91.05484	25.0
93.07047	11.3
95.04974	25.4
95.08599	8.7
97.02917	2.2
97.06535	1.9
97.10176	32.3
100.10513	0.8
100.34827	0.8
103.05474	0.7
105.07034	17.0
107.04961	8.7
107.08617	6.0
109.06538	3.4
109.10174	4.7
111.04447	2.1
111.08079	7.5
111.11717	11.2
113.76224	0.8
115.05469	2.7
116.06220	0.8
117.07027	3.6
119.04989	1.1
119.08588	14.8
121.06513	3.7
121.10134	6.6
123.08100	1.6
123.11728	1.6
125.09666	1.2
125.13291	3.0
128.06194	1.3
129.07011	9.8
131.08598	9.2
133.06519	3.9
133.10143	5.7
135.08034	1.1
135.11710	0.8
137.09637	1.6
142.07823	3.3
143.08577	1.0
145.10153	2.9
147.08063	2.6
147.11694	7.5
149.08510	0.7
149.09612	4.1
155.08630	0.8
157.10138	8.7
159.11705	1.0
163.11215	1.9
165.12787	2.3
169.10222	0.9
173.13182	0.9
175.11217	11.2
176.57454	0.7
185.13268	0.9
193.12247	34.5
198.94254	0.7
205.12326	1.0
211.13251	1.0
237.22174	1.2
249.14827	5.7
256.56870	0.8
291.19601	0.9
314.02945	0.8
376.07391	0.8
380.63751	0.8
471.22559	0.8
485.63522	0.8
503.37360	84.1
504.37802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.6
55.01863	2.1
55.05513	47.3
57.07084	15.2
62.05630	1.0
65.03931	1.2
67.05501	12.2
69.03410	1.8
69.07071	42.0
69.80525	1.0
69.89458	1.2
70.14828	2.5
70.15217	2.0
71.08633	10.1
75.46693	1.0
76.97926	1.1
79.05500	16.2
79.78631	1.0
81.03419	100.0
81.07056	12.1
83.04971	3.8
83.08624	47.8
83.09124	2.2
85.06529	1.2
85.10176	4.2
91.05486	21.8
91.10248	1.0
93.07033	8.7
95.04969	24.7
95.08609	4.9
97.02915	1.3
97.06544	1.2
97.09553	2.0
97.10168	28.5
98.19513	1.0
105.07029	13.9
105.93541	1.0
106.18204	1.2
107.04963	5.4
107.08579	3.7
109.06499	1.6
109.10152	1.3
111.04375	1.1
111.08089	9.2
111.11727	12.0
115.05492	1.7
117.07028	3.5
119.04978	1.1
119.08578	11.2
119.18237	1.3
121.06481	2.9
121.10146	3.8
123.11687	1.2
123.76412	1.3
125.13262	2.6
129.06993	10.4
131.08542	8.9
133.06526	3.0
133.10129	4.7
137.09602	1.9
142.07759	2.6
147.08102	2.8
147.11722	7.4
149.09636	3.7
157.10126	8.3
171.99280	1.2
175.11192	9.9
193.12253	36.0
211.13208	1.4
237.22179	2.9
249.14880	7.3
252.05772	1.2
384.42963	1.3
503.37329	76.7
504.37570	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.0
57.03431	5.8
61.02942	4.9
67.05499	19.2
69.03429	14.8
69.07064	13.7
71.49893	5.4
73.02914	14.8
79.05499	28.5
81.03427	5.4
81.07066	32.0
83.04962	7.1
83.08624	6.1
85.02899	11.6
85.06534	4.8
87.04484	4.6
91.05456	36.6
93.07064	41.2
95.04989	9.5
95.08615	50.1
97.02892	8.4
97.06532	16.1
99.08123	21.0
103.05456	6.8
105.07044	88.1
107.04962	11.8
107.08604	72.7
109.02896	5.0
109.06497	10.9
109.10150	23.0
111.08071	7.0
112.02301	5.8
115.03939	10.4
115.05443	5.6
117.07028	19.0
119.04945	6.6
119.08594	100.0
121.06490	14.6
121.10165	36.1
123.08069	9.7
123.11702	9.6
125.09621	6.8
127.03936	6.6
129.06975	7.5
131.04927	11.7
131.08583	61.8
133.02864	14.9
133.04947	6.8
133.10159	63.6
135.04448	11.5
135.08046	18.1
135.11699	25.3
137.06003	30.1
137.09671	5.8
142.07764	6.3
143.08568	23.8
145.10139	59.3
147.04430	6.3
147.08052	5.1
147.11720	48.4
149.09601	10.8
149.13275	11.0
151.03951	5.7
153.12735	7.1
155.08571	13.3
156.09294	7.9
157.10139	34.3
159.08081	6.1
159.11710	45.2
161.05981	7.2
161.09676	21.5
161.13264	25.5
163.03915	40.7
163.07590	7.2
163.11269	12.1
163.14842	13.4
165.12769	7.5
169.10144	15.6
170.10872	6.1
171.11673	24.6
173.05853	5.9
173.09666	6.0
173.13274	49.8
175.11188	12.3
175.14854	19.8
177.16371	7.7
179.14381	4.8
181.10161	5.5
183.11740	22.8
185.13278	32.1
187.14838	56.9
189.12733	6.2
189.16368	11.2
191.14311	33.1
195.11656	7.8
197.13258	25.0
199.14825	37.5
201.12750	6.1
201.16409	25.0
203.14284	16.6
203.18077	5.2
205.15913	18.3
209.13260	10.6
211.14830	19.3
213.12846	6.8
213.16368	17.6
215.17969	8.9
217.05026	5.3
217.15947	12.2
221.13287	4.5
223.14867	10.0
225.16405	5.6
227.14313	5.9
227.17824	5.4
229.15860	7.1
231.17378	4.5
237.16379	6.3
246.11287	4.1
251.18044	9.3
263.18008	12.5
269.18988	14.8
270.04233	4.4
281.18997	8.9
299.06290	9.2
299.20108	17.1
309.22034	5.6
315.20975	5.9
317.20920	7.3
321.11407	6.5
325.21176	6.4
341.13925	4.7
349.25174	5.7
385.28787	5.7
391.29871	14.0
393.31802	5.0
403.30035	26.2
409.30890	15.3
421.31046	41.2
437.30746	8.2
439.32373	21.6
449.30630	38.6
455.31277	6.1
457.33163	22.0
467.31613	52.6
485.22925	10.1
485.33127	22.0
503.17615	23.1
503.24652	9.8
503.34506	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	503.3373
Annotation	Dianic acid
Peak:m/z	Relative Intensity
55.05499	13.4
67.05199	4.1
67.05518	44.6
69.07053	13.6
69.31215	36.0
79.05496	25.6
81.03408	6.4
81.07069	45.1
83.08613	7.1
85.02883	5.0
90.98078	3.9
91.05454	29.7
93.07048	28.7
95.04964	11.6
95.08628	34.1
97.06544	3.8
97.10177	5.3
98.21564	8.3
105.07034	46.5
107.04964	8.8
107.08615	40.8
109.06523	9.6
109.10149	23.9
111.08089	7.2
117.06970	6.5
119.08588	40.4
119.27779	3.5
121.06461	9.1
121.10152	27.8
122.84325	3.8
123.04465	4.7
123.08041	9.5
123.11707	9.2
125.09609	6.4
129.07036	6.1
131.08589	24.1
133.10132	22.5
135.08058	5.1
135.11690	12.9
137.09598	5.0
142.07838	3.9
143.08568	12.6
145.10152	30.8
147.08014	7.0
147.11707	17.6
149.09621	6.4
149.13252	10.2
155.08545	4.5
157.10146	18.1
159.11734	27.2
161.09654	9.5
161.13278	9.3
163.11143	8.4
163.14806	16.8
168.07610	3.9
169.10066	5.2
170.10892	4.3
171.11693	10.4
173.11836	5.4
173.13284	14.3
175.11328	4.6
175.14865	39.9
177.16425	25.0
185.13197	11.7
187.14804	12.4
189.12790	5.4
189.16418	9.6
191.14314	4.5
197.11732	8.6
199.14832	11.4
201.12665	6.9
201.16273	4.3
203.14328	17.2
205.15927	5.0
217.15878	8.0
225.16339	4.2
235.13377	6.0
241.19585	4.6
267.15897	47.8
271.20621	6.6
275.20108	7.5
337.62006	4.4
391.30011	6.7
394.29199	4.7
403.29868	7.4
409.30914	4.7
411.25323	9.9
421.30908	16.5
439.32004	15.0
457.33319	33.4
467.31607	8.8
485.32928	8.8
503.34213	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
55.01865	10.4
55.05514	28.1
67.05508	74.2
69.03424	16.2
69.07056	15.7
69.98689	9.1
69.99104	17.8
79.05495	39.0
79.70850	4.2
81.03422	12.0
81.07054	64.6
83.04963	8.1
83.08619	18.2
84.04842	4.2
85.02899	10.1
85.06538	4.8
91.05476	51.8
93.07047	62.7
95.04996	23.4
95.08607	61.6
97.02895	14.0
97.06547	8.9
97.10181	6.2
98.20848	7.9
103.05482	6.1
104.54282	4.7
105.06319	6.0
105.07029	76.6
107.04949	16.4
107.08598	66.1
109.02860	11.6
109.06502	17.7
109.10172	52.7
111.04472	4.3
111.08099	6.8
115.03928	14.3
117.06992	24.3
119.04863	4.9
119.08586	100.0
121.06515	10.5
121.10131	51.0
123.04403	7.3
123.08118	8.6
123.11693	13.4
124.18614	4.5
127.03925	5.5
127.44502	5.0
129.06967	12.3
131.08557	41.5
133.06509	7.9
133.10132	62.0
135.08063	13.2
135.11719	37.9
137.05975	8.4
137.09650	5.9
141.06950	4.7
143.08537	24.4
144.53691	4.6
145.06421	7.9
145.10127	69.6
147.08029	7.7
147.11691	51.7
149.09653	11.8
149.13246	23.1
155.07045	6.6
155.08575	8.4
157.10120	24.4
159.11705	40.0
161.09604	8.2
161.13232	22.7
163.11151	11.2
163.14841	19.0
169.10159	9.0
171.11681	16.7
173.09576	8.8
173.13277	27.9
175.11194	9.9
175.14804	30.5
177.12921	6.6
177.16362	17.5
179.10640	5.3
179.14302	9.2
183.11714	11.4
185.13269	19.2
187.14809	76.1
189.12708	9.1
189.16402	51.1
191.14211	5.6
191.17847	7.0
197.13205	11.5
199.14825	10.6
201.12802	12.0
201.16432	41.8
203.14317	17.7
203.17923	22.1
205.15706	6.0
207.13844	6.0
209.13322	6.4
211.14769	8.3
213.16399	7.3
215.14375	24.7
215.17961	11.2
217.15932	6.8
219.13782	6.5
221.15294	10.9
229.15988	8.2
229.19453	6.3
233.15346	19.1
235.16898	9.6
239.17929	7.4
247.16943	16.5
261.18536	8.2
275.20068	15.6
391.29852	35.1
403.29871	14.7
409.31024	17.4
421.31058	42.8
437.30124	13.6
439.31888	21.2
449.30743	11.6
455.31528	19.8
457.32974	8.5
467.31436	18.7
485.32880	11.1
503.29468	22.0
503.33585	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3372
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
53.03967	1.7
53.44483	1.7
53.78901	1.7
55.01899	1.5
55.05505	6.5
65.03967	1.7
67.05506	16.0
69.03426	2.7
69.07072	9.1
79.05500	11.6
81.03429	2.1
81.07053	17.9
83.04955	3.2
83.08601	3.2
91.05499	12.6
93.07043	19.1
95.04950	5.9
95.08618	24.2
97.06525	7.6
97.10169	2.6
105.07043	33.1
107.08601	27.4
109.06504	5.2
109.10153	11.9
111.08066	2.8
116.59418	2.1
117.07008	4.2
119.08579	36.6
121.06521	5.7
121.10160	17.0
123.08089	3.2
123.11688	3.1
125.09566	1.8
129.06981	4.2
131.08591	15.8
133.06529	2.7
133.10135	26.3
135.08058	5.1
135.11703	6.7
137.09679	2.3
141.07042	1.8
142.07745	2.5
143.08566	10.7
145.06477	3.1
145.10117	20.1
147.08025	5.1
147.11665	13.6
149.09634	5.8
149.13280	3.5
155.08507	4.0
156.09348	1.7
157.10152	12.0
158.10948	2.0
159.08043	2.2
159.11708	19.1
161.09621	6.5
161.13225	8.1
163.11176	2.8
163.14809	5.6
163.61501	1.9
169.10117	6.0
170.10873	2.3
171.11710	7.4
173.09634	6.0
173.13264	22.9
175.11197	6.0
175.14844	21.8
177.16339	3.6
182.10867	1.9
183.11742	5.3
185.09644	1.9
185.13304	17.7
187.11214	4.3
187.14825	14.9
189.12747	6.9
189.16391	14.4
191.14264	2.6
195.11652	2.1
197.13322	5.4
198.73361	1.8
199.14827	9.1
201.12724	5.2
201.16373	3.9
203.14330	3.9
205.15851	3.9
209.13232	2.8
211.14824	7.3
213.12753	15.0
213.16299	4.3
215.14394	8.2
217.15948	8.6
223.14841	4.2
225.16408	3.4
227.14334	2.9
227.17972	4.5
229.15878	2.8
229.19359	2.0
231.13832	9.5
231.17479	2.6
233.15344	3.5
237.16406	2.5
239.18047	3.1
243.17456	2.1
253.19536	3.3
257.19019	2.2
275.19980	3.6
297.22180	2.1
299.06345	2.0
339.23288	2.4
357.24203	7.8
385.28607	2.6
391.30029	3.8
403.29990	11.0
421.31165	14.6
427.08014	2.0
431.29474	3.8
437.30652	25.2
439.32089	6.7
449.30539	62.2
450.30981	1.9
455.31009	2.4
457.32779	3.4
467.31610	100.0
468.32068	3.1
485.32690	83.1
486.32794	3.2
503.13519	3.0
503.34137	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	503.3368
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.03954	0.7
55.01850	0.8
55.05508	3.4
57.07087	0.7
67.05518	3.6
69.03424	1.0
69.07068	2.8
69.61185	2.6
69.61597	1.3
79.05509	3.1
80.30896	0.6
81.07066	4.9
83.04987	1.6
84.34875	0.5
85.02925	0.6
85.06530	0.6
91.05488	5.2
93.07050	7.5
95.04977	1.5
95.08607	7.3
97.06522	1.8
98.20830	1.2
98.62372	0.6
105.07036	14.0
105.07697	0.9
107.04979	1.0
107.08586	9.6
109.06532	1.5
109.10165	4.3
111.08087	1.1
116.57500	0.5
117.07014	1.3
119.08584	15.6
121.06495	2.1
121.10141	7.3
123.08104	1.0
123.11703	1.3
129.07021	1.9
131.08572	6.3
133.10124	8.4
135.08089	1.8
135.11722	2.3
137.09662	1.3
141.07011	0.7
143.08592	3.0
145.06505	0.8
145.10120	8.7
147.08054	1.5
147.11696	5.1
149.06026	0.9
149.09619	3.9
149.13266	1.4
155.08562	0.9
156.09407	0.8
157.10146	5.1
159.08031	1.3
159.11676	5.6
161.09622	3.1
161.13277	4.6
163.11188	1.7
163.14822	3.3
169.10114	1.4
171.11703	3.7
173.09679	1.1
173.13251	7.3
173.34180	0.5
175.11217	1.6
175.14853	7.4
177.16405	0.9
181.12132	0.6
183.11728	2.2
185.13226	3.5
187.11235	1.1
187.14774	5.5
189.12790	2.2
189.16393	11.0
191.14313	2.2
195.11641	1.0
197.13295	2.5
199.14799	5.2
201.12753	2.5
201.16425	2.0
203.14325	2.8
203.17921	0.6
205.15889	2.0
207.13802	0.8
207.17511	0.9
209.13275	0.9
211.14888	1.8
213.12852	1.8
213.16438	1.5
215.14359	2.2
215.17978	0.6
215.80373	0.6
217.15854	6.8
219.13892	1.3
221.15433	0.7
223.17017	1.5
227.17960	1.6
229.15817	1.5
231.13832	2.0
231.17677	0.8
235.16992	2.1
239.17986	1.0
241.19673	0.9
249.14923	1.5
253.19542	1.2
257.19028	1.3
267.15948	1.8
267.21204	1.0
271.20688	1.9
391.30173	1.3
397.95609	0.6
403.30002	1.2
421.31097	3.9
437.30646	2.1
439.32004	3.2
449.30450	2.9
457.33136	5.1
467.31638	6.4
485.32669	4.1
503.33722	100.0
504.34143	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	503.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77347	0.8
52.40018	0.9
53.03930	1.9
55.01867	1.2
55.19000	0.8
57.03431	2.8
61.02926	2.5
65.03948	0.9
67.05509	1.0
69.03428	9.8
70.03736	0.9
70.73502	2.3
73.02927	1.3
79.05494	2.5
80.24776	0.7
81.03430	4.6
81.07053	1.9
85.02437	1.7
85.02915	19.4
87.04476	1.4
91.03976	1.5
91.05477	2.8
94.04185	4.0
95.04996	1.6
97.02890	7.2
99.04471	1.8
103.05465	4.4
105.07033	2.7
107.04958	1.6
109.02898	2.4
109.06534	3.1
112.83337	1.0
115.05469	3.7
117.07006	2.5
119.08579	1.6
119.29999	0.8
121.06509	1.2
122.03629	7.1
127.03901	3.7
128.06219	1.4
129.06979	2.1
130.06512	1.8
131.04913	4.1
131.06915	0.9
132.05719	1.4
133.06523	2.2
135.04367	1.1
137.05988	100.0
138.06325	1.2
141.06953	1.1
143.04930	1.0
143.07317	0.9
144.08110	16.7
145.04984	1.8
145.06548	1.1
145.08458	8.7
147.08063	2.9
148.40245	0.9
149.05980	0.9
151.03983	1.2
156.05765	1.3
156.08009	1.3
159.08061	2.2
160.05212	1.6
161.06006	12.6
163.03906	1.1
163.07578	6.7
165.05518	1.4
167.07190	1.6
168.08110	1.8
171.08035	1.2
175.07568	37.2
182.09552	1.1
184.05258	1.9
186.06709	1.0
187.07510	4.7
190.07780	1.5
191.08597	3.6
199.07559	15.7
201.09123	0.9
202.07829	4.2
203.08521	8.4
210.09198	1.0
218.07317	1.0
219.08026	7.0
220.08786	2.4
221.09569	1.0
221.11638	1.3
231.08095	10.8
232.08804	1.9
233.09546	0.9
234.12756	1.2
237.09177	1.0
239.08955	1.6
247.07654	4.3
248.08293	4.1
249.09079	1.4
251.10741	6.7
259.07584	7.6
260.08490	1.5
261.09167	1.2
263.10559	5.5
263.13046	0.9
265.08594	1.2
275.06915	1.1
276.07867	3.1
277.08731	4.1
279.10059	7.0
291.10046	12.2
292.10843	5.5
295.13300	2.4
309.13138	3.8
311.12823	16.8
323.12585	20.8
325.14365	2.3
340.15466	1.1
341.15875	5.0
471.54800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72527	1.0
56.30574	1.1
57.05228	1.1
69.03435	2.9
71.02887	2.9
76.63420	1.1
79.05496	2.6
81.03420	1.5
81.07059	1.2
85.02901	4.8
86.14143	1.1
89.03906	1.3
90.16293	1.1
90.97392	1.1
91.05487	3.7
92.35202	1.0
93.07033	1.9
94.04163	3.0
94.74137	1.2
97.02889	1.6
103.05484	2.3
105.07047	6.6
109.06512	2.8
115.05474	3.9
117.07010	1.9
119.08567	1.8
121.06480	2.0
122.03654	7.8
127.78471	1.3
128.06245	1.8
129.07002	2.2
131.04904	1.8
132.05724	3.2
133.06490	4.2
133.10199	1.5
137.05984	100.0
144.08083	2.7
147.04361	1.1
147.08012	2.3
147.43861	1.1
149.05896	1.7
153.01877	1.6
159.08112	2.3
161.05980	12.6
163.03926	2.0
172.05197	2.0
175.07562	28.0
179.03377	2.5
184.05136	1.6
187.07545	8.2
190.07793	3.0
191.08528	7.4
199.07536	10.1
202.07787	2.7
203.08530	6.7
218.07182	1.9
219.08095	11.7
220.08838	2.6
231.08093	5.4
233.09717	1.6
236.08224	2.8
247.07478	3.8
248.08247	3.1
251.10684	12.4
259.07587	2.7
260.08423	2.1
261.09213	2.3
263.10651	2.6
265.08838	1.3
277.08704	2.1
279.10181	10.9
291.10196	11.4
292.11066	2.2
311.12769	23.7
323.12778	14.4
323.25269	1.4
341.14551	1.2
341.18616	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.07069	1.9
61.00864	1.0
61.01147	5.2
67.05510	1.8
69.38274	2.7
69.38695	3.7
72.04156	1.3
72.04523	15.9
73.02899	1.1
78.03799	2.6
78.54858	0.7
83.04967	2.2
85.02928	4.0
85.06550	4.0
86.09711	1.5
88.02219	16.8
89.03890	0.9
90.03799	0.9
95.04966	2.7
98.02407	1.1
98.06033	0.9
98.20795	1.6
98.98482	2.9
99.04463	3.1
99.05585	13.2
100.03983	1.6
102.03753	2.6
103.02162	2.2
103.03933	8.1
109.02883	6.0
110.60778	0.7
112.07626	1.3
113.06010	4.7
114.03741	4.9
123.33537	0.7
124.07580	7.4
125.07114	2.3
126.05466	1.1
127.03921	2.6
130.03212	1.0
130.08641	2.8
132.04793	14.6
141.04825	1.0
141.06572	2.3
142.08635	17.6
145.02873	1.0
149.07501	1.8
157.04375	1.3
158.02664	0.9
159.05878	10.3
163.03883	5.1
166.08658	2.2
175.05405	4.3
177.00491	0.7
183.04176	3.0
184.09706	10.5
188.02597	0.7
212.84288	0.8
241.63461	0.8
243.11662	2.6
261.12683	24.0
303.13864	1.3
329.12241	1.5
343.16736	4.3
345.14813	1.2
359.10495	4.2
369.14716	0.8
372.94620	0.8
387.15735	2.9
405.16919	100.0
406.17343	2.2
457.17078	1.3
503.15701	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	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49494	5.1
55.05513	15.5
57.03441	16.3
57.07080	33.1
67.05508	88.2
68.02077	5.2
69.07066	9.4
69.25621	50.5
69.66943	5.5
71.08619	25.0
73.04739	13.4
79.05510	7.5
81.07050	29.5
83.08610	15.0
85.10170	13.6
95.08611	18.5
97.10155	9.0
109.10172	85.3
119.08584	12.3
122.14389	5.4
149.04407	5.7
167.05641	11.0
173.11755	26.2
229.14384	100.0
299.06165	15.2
313.27390	97.9
377.76990	5.7
467.37363	64.1
500.05756	6.2
502.36978	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	501.3216
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.01846	2.9
55.05510	7.7
57.03445	2.8
67.05519	21.1
69.07075	11.1
69.20035	22.5
69.20454	5.6
79.05518	18.4
81.03420	6.4
81.07063	24.0
83.08630	7.5
87.04485	3.5
91.05501	17.2
93.07058	28.6
95.04978	7.1
95.08618	29.8
98.20803	6.2
100.69947	2.7
105.07046	36.7
107.04962	3.4
107.08611	31.3
107.56391	2.8
109.06557	7.7
109.10168	22.4
111.08091	46.0
117.07051	6.5
119.08591	54.2
121.06552	5.5
121.10162	45.6
123.08082	5.6
123.11687	6.0
127.07563	2.5
129.06979	5.9
131.08580	19.7
133.10130	29.5
135.08054	6.4
135.11694	13.6
137.09627	6.9
141.57646	3.6
143.08589	12.4
145.10139	37.1
147.08015	3.2
147.11658	13.7
149.09647	4.8
149.13298	7.8
151.11186	4.1
153.12723	3.6
154.47693	3.2
157.10176	9.2
159.08061	4.5
159.11713	19.9
161.09566	3.5
161.13295	18.2
163.11217	6.8
163.14842	6.9
169.10164	3.8
171.11746	9.0
173.13297	13.4
175.14822	13.2
177.12740	4.1
177.16386	14.4
179.14372	3.7
183.11713	6.7
185.13274	6.7
187.14845	100.0
189.12759	4.5
189.16394	24.9
191.14359	4.5
191.17969	6.7
193.12268	3.0
195.11880	3.1
199.11375	3.2
199.14835	7.4
201.16423	22.5
203.14441	4.8
203.18066	6.2
207.13631	3.2
211.14879	3.5
213.12755	2.9
213.16402	9.5
215.17989	6.4
221.15416	9.2
225.16537	4.5
227.17998	3.5
235.16933	15.2
239.18082	3.5
241.19466	4.2
247.16913	6.1
253.19243	3.6
261.18500	3.4
271.25552	3.1
288.72580	3.0
311.20358	3.4
333.25690	3.9
349.28799	3.7
367.29977	5.2
375.30240	2.9
377.28659	5.3
377.33774	3.1
391.30063	8.0
395.29544	14.9
403.25024	4.3
409.31165	43.0
411.32571	9.0
413.30472	23.0
419.29602	20.3
423.29089	3.4
437.30484	18.1
455.31650	21.8
465.30072	6.2
483.31204	17.2
501.32159	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.6
53.51472	4.1
55.05507	4.8
67.05515	14.6
69.03456	9.2
69.07063	15.3
69.45525	3.1
69.85785	19.7
70.94936	3.6
79.05505	15.7
81.03419	7.2
81.07069	33.6
83.04984	6.3
83.08632	4.3
85.02928	6.2
87.39916	3.4
91.05486	23.5
92.04233	3.2
93.07059	29.7
95.04983	8.3
95.08618	45.7
97.06535	6.9
97.10191	4.3
98.20868	5.6
98.21487	7.9
105.07049	40.5
107.04964	5.5
107.08604	40.6
109.06501	6.3
109.10176	18.0
111.04453	6.3
117.07043	8.0
119.08595	78.8
121.06532	16.3
121.10168	33.1
123.04402	5.4
123.08102	7.4
123.11737	5.3
127.03926	3.9
129.07069	6.8
130.07819	6.3
131.08580	46.8
133.06448	4.5
133.10146	58.0
135.08067	10.4
135.11707	10.8
137.06015	17.5
142.07733	4.6
143.08563	13.7
145.10147	65.3
145.11281	3.5
147.08092	12.0
147.11699	33.2
149.09703	4.0
149.13248	18.0
156.09386	4.4
157.10139	15.3
159.11731	35.4
161.09653	12.5
161.13274	41.1
163.03874	5.8
163.07524	4.1
163.11232	6.6
163.14825	34.6
167.07104	3.8
167.58199	3.3
169.06831	3.3
170.10939	10.7
171.11697	11.6
172.12531	3.9
173.09694	6.1
173.13264	36.0
175.11169	6.6
175.14847	32.4
177.05501	5.1
177.16451	12.1
183.11670	3.9
185.13289	26.7
187.11275	5.8
187.14835	100.0
189.12817	20.0
189.16400	47.9
191.14392	30.4
191.17952	32.1
197.13289	5.9
199.14885	12.5
201.16389	68.6
203.14381	19.8
203.17975	35.6
205.15866	5.0
207.13803	4.7
207.17513	4.7
209.15483	5.0
211.15094	3.5
213.16479	5.6
215.14342	6.0
215.18074	5.6
217.15874	12.9
221.15421	15.1
223.14827	4.1
225.16422	4.1
229.16060	5.0
232.12354	4.1
235.13260	22.1
235.16960	15.3
247.16919	7.2
250.33952	4.2
265.08615	4.8
321.11456	4.1
373.28827	6.3
391.29935	20.3
393.31802	4.1
407.29553	5.1
409.31094	13.9
411.32565	11.5
419.29694	7.7
437.30539	24.6
439.31927	5.8
449.94519	3.6
455.31546	25.3
455.41885	3.3
457.32846	7.0
483.31079	8.7
501.19052	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	500.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01878	1.6
55.05507	2.9
57.03421	3.6
61.02928	1.3
67.05506	1.7
69.03437	8.5
69.07061	2.2
69.50104	1.2
71.04996	12.4
71.49168	1.9
73.02921	10.7
73.06549	3.5
79.05505	6.8
81.03428	3.8
81.07059	18.4
83.08582	1.7
85.02913	22.1
87.04488	1.5
87.27157	1.2
91.05499	1.6
93.07050	12.7
95.04987	4.3
95.08588	1.4
97.02903	18.9
97.06577	2.4
103.05479	1.4
107.04977	8.3
107.08620	8.6
109.02910	6.2
109.10154	2.1
115.03947	7.3
123.04443	1.3
125.02377	2.8
127.03925	12.2
133.04977	10.7
135.04408	8.3
135.11707	18.1
145.04973	12.9
149.06017	2.9
151.03871	6.6
153.05392	1.8
153.12758	100.0
163.03926	8.4
163.06070	6.1
164.04250	2.8
171.13843	1.9
176.12804	3.2
177.05403	6.5
195.06609	4.4
222.75566	1.5
223.06125	3.3
229.75652	1.3
232.97748	1.3
241.07080	4.1
257.28741	1.3
259.08160	9.2
277.09189	1.7
295.10278	3.7
303.92697	1.5
339.10770	2.0
478.77966	1.5
500.15106	2.6
500.21472	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	500.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55551	0.3
53.03941	1.8
55.01876	4.2
57.03440	3.5
57.56205	0.3
59.04976	0.3
61.02662	0.4
61.02926	4.7
65.03923	0.4
67.05479	1.4
69.03432	14.6
71.01323	0.5
71.04962	1.4
71.32997	0.7
73.02922	2.2
77.03941	0.4
79.05501	2.4
81.02993	0.5
81.03415	5.8
81.07064	0.4
83.01334	1.0
84.90852	0.3
85.02908	19.2
87.04467	3.0
89.03914	0.5
91.03928	1.1
91.05478	1.8
94.25965	0.3
95.04951	2.8
97.02890	8.4
99.04446	2.2
101.02346	0.6
103.05479	2.0
105.03405	0.7
105.04555	0.5
105.07026	2.8
106.06574	0.5
107.04947	1.7
109.02877	2.8
109.06526	0.5
115.05447	1.4
117.03417	0.6
117.05785	1.6
117.06997	0.5
118.03693	0.4
118.06521	0.6
119.04833	0.4
119.89296	0.3
121.06517	0.6
123.04424	1.6
125.02358	0.9
127.03924	4.4
128.06187	1.4
129.07007	5.8
129.40692	0.3
130.06532	10.2
131.04907	2.3
131.07272	0.5
131.08443	0.3
132.08109	2.0
133.02879	2.7
133.06488	10.1
135.04413	1.9
136.04695	0.4
143.07295	4.4
143.08514	1.2
144.04449	0.4
144.08087	10.3
145.02837	1.1
145.04953	2.0
145.06435	0.7
146.03146	0.4
147.04358	0.4
149.05937	1.1
151.03903	11.0
153.05719	0.3
153.06978	0.9
154.06509	2.8
155.06218	0.3
155.07288	8.5
156.08092	36.0
157.08882	5.5
158.09651	5.2
159.04416	1.8
163.03911	6.9
164.04233	3.4
167.07309	14.2
167.08560	1.6
168.08090	18.0
169.08867	11.3
170.06068	0.5
170.09650	17.8
172.07564	1.2
175.03973	0.5
177.05457	1.4
177.07054	1.0
179.07269	1.0
179.08658	0.5
180.08081	34.0
181.08864	22.5
182.06068	0.5
182.09663	8.0
183.06773	0.6
183.10344	0.8
184.07593	0.4
186.09050	0.6
189.05446	0.4
191.07248	1.7
192.08011	2.8
193.08879	4.4
194.05949	1.3
194.09653	48.5
195.06622	2.3
195.08301	0.6
195.10396	6.5
196.07549	1.1
196.11226	3.1
197.11989	0.5
198.09087	0.8
204.08086	11.8
205.08855	8.2
206.09653	11.3
207.06740	1.8
207.10333	1.4
208.07579	13.2
208.11060	0.9
209.08325	1.0
210.05507	0.4
210.09227	0.7
211.06326	0.5
217.08859	3.8
218.09647	3.7
219.10396	1.4
220.07600	1.7
220.11195	1.6
221.08337	3.1
221.11873	0.4
222.09145	48.1
223.09906	29.9
224.07047	1.4
224.10695	8.2
225.11458	2.9
230.09691	2.9
231.10434	5.2
232.07632	2.4
232.11185	3.6
233.08385	2.0
233.12003	1.3
234.09128	4.7
234.12729	0.8
235.09805	0.5
236.07072	2.5
236.14264	0.6
238.08578	1.1
240.10185	0.6
241.08842	1.5
242.09593	1.2
243.10387	1.0
244.11182	1.4
245.08438	0.5
245.11937	0.8
246.09132	1.3
246.12785	5.1
247.09926	1.0
248.07072	0.4
248.10748	1.7
248.14362	1.3
249.07899	0.4
250.08638	22.1
250.12341	0.9
251.09406	35.9
252.09906	1.5
254.09673	0.7
256.11249	1.6
257.12030	0.5
258.09143	1.3
258.12714	0.9
259.09909	1.9
260.10782	1.2
261.11499	0.5
264.10321	0.3
264.13736	0.4
268.09677	20.3
269.10471	20.0
269.13483	0.6
272.10703	0.5
273.11407	0.7
274.09076	0.7
274.12241	8.6
274.15262	0.4
276.10779	0.4
276.13849	8.4
284.10715	1.6
287.09189	0.5
290.11719	0.5
292.13165	2.5
294.14847	3.6
302.08255	0.5
302.11737	11.5
303.11948	0.3
320.12808	42.5
321.13168	1.1
338.13855	52.5
339.14331	1.7
383.27951	0.3
430.14951	0.7
431.15829	1.0
431.51715	0.3
456.20236	0.3
458.08295	0.3
482.18048	1.1
500.19165	100.0
501.19385	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	499.2077
Annotation	Vincosamide
Peak:m/z	Relative Intensity
53.03931	0.2
67.12415	0.2
68.35225	0.2
69.03423	0.7
69.78879	0.6
71.04993	0.4
79.05490	0.7
81.03408	0.3
85.02895	0.9
91.05479	0.7
93.07045	0.6
93.37825	0.2
95.04984	0.2
97.02875	1.2
103.05460	0.5
107.04982	0.4
117.07017	0.6
118.06522	0.6
121.06508	0.8
124.03938	0.4
126.05511	0.6
127.03926	0.1
130.06554	0.4
143.07341	0.4
143.08525	0.3
144.08087	35.2
145.08423	0.2
149.05974	0.9
154.06522	2.0
155.07300	0.3
156.08020	0.2
168.08061	0.3
169.07646	0.2
170.09665	4.9
171.09175	100.0
172.09579	1.3
176.07130	0.5
182.09657	0.2
194.08093	0.4
197.10706	0.3
199.08678	0.3
213.10120	0.2
237.10291	0.5
249.10153	0.2
265.09647	0.2
266.76135	0.2
267.11295	28.2
268.11670	0.5
269.12915	0.3
298.51434	0.2
319.14398	2.1
337.15466	53.3
338.15787	1.2
455.13089	0.5
466.15869	0.2
485.42496	0.2
493.16797	0.2
499.12027	1.1
499.20605	3.0
514.27106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2082
Annotation	Vincosamide
Peak:m/z	Relative Intensity
51.80542	0.3
53.03952	0.5
58.08220	0.3
67.23868	0.3
69.03426	0.5
69.24089	1.3
69.24519	1.5
73.24991	0.3
73.55582	0.3
75.03362	0.3
79.05489	0.6
81.07056	0.3
85.02893	0.6
89.03868	0.3
91.05475	1.1
93.07054	1.0
97.02888	0.8
103.05478	0.6
105.04575	0.3
111.70110	0.3
115.34127	0.3
118.06517	0.8
121.06511	1.1
130.06512	0.3
131.05031	0.4
143.07347	0.4
144.08096	16.3
149.05972	0.9
154.06448	1.8
155.07143	0.3
156.06874	0.4
163.03960	1.0
168.08165	0.5
170.09665	3.7
171.09181	100.0
172.09573	1.7
185.10770	1.0
237.10234	0.7
265.09775	1.7
267.11310	24.7
268.11700	0.5
312.81601	0.3
314.12177	0.3
318.36429	0.3
319.14532	1.1
337.15485	54.4
338.15790	1.2
374.14142	0.8
427.43478	0.3
428.85632	0.4
499.21133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
63.02385	0.5
65.03953	0.4
67.05486	0.3
67.53416	0.2
70.40067	0.8
75.19458	0.2
79.05496	1.2
83.04973	0.6
83.59347	0.2
89.03927	8.9
95.04981	2.1
97.12439	0.2
98.20920	0.3
99.55368	0.2
105.04460	0.2
107.04977	2.3
111.04436	0.4
117.03393	9.8
135.04430	18.0
135.45883	0.2
141.48186	0.2
145.02858	13.6
163.03917	100.0
164.04242	1.1
181.04996	0.5
196.93320	0.2
211.07904	0.2
319.08136	13.3
320.08215	0.3
325.06845	0.3
428.07828	0.2
499.12411	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	499.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67307	1.7
65.11160	1.8
71.25048	4.1
74.76927	1.7
82.99851	4.3
97.02883	4.6
98.97556	2.3
101.00891	27.4
103.02431	2.1
104.05647	1.8
113.00847	11.0
115.02430	3.1
119.01926	21.3
127.02431	22.4
128.01315	2.1
131.01927	18.0
133.03473	6.5
137.00871	2.5
137.01866	2.7
139.02414	4.3
143.01909	41.4
145.03471	45.3
147.01404	3.8
149.02936	2.8
155.01913	38.8
157.03479	20.8
159.05083	2.3
161.02975	20.3
163.04582	3.8
167.01923	17.0
169.03471	7.4
171.01379	7.9
171.04999	8.2
173.01448	2.5
173.02979	48.1
173.04408	1.9
175.04497	8.2
179.01831	6.3
181.03409	2.0
183.04900	1.8
185.02968	45.2
185.04604	2.8
187.04553	7.3
189.02399	4.3
196.05035	4.1
197.02989	17.7
199.00868	6.3
199.04608	3.0
201.06055	3.4
203.04062	21.9
205.05537	4.0
209.02937	2.2
215.04015	8.1
217.01965	64.9
217.05348	13.1
221.05037	8.2
227.04044	11.5
227.28795	2.3
229.01906	7.0
229.05611	2.6
235.03026	10.4
245.05084	100.0
246.05182	5.3
247.03021	14.5
247.06709	4.7
257.05035	13.4
259.06549	3.3
263.06128	11.1
273.08170	5.6
275.06094	15.0
276.06674	2.6
277.04135	20.2
277.07181	3.9
283.96115	1.9
291.09235	2.9
293.07175	5.1
295.08682	4.0
301.04077	11.4
305.07251	9.6
307.08987	10.8
319.05057	23.8
319.08728	14.0
335.08188	5.3
337.06116	25.9
337.09769	12.3
352.45688	1.9
365.09293	8.7
370.61023	2.0
439.12921	6.2
499.11566	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01863	4.3
55.05511	20.2
67.05512	29.3
69.03425	3.3
69.07054	3.5
69.42610	2.2
71.04978	2.7
71.49533	3.2
79.05497	23.8
81.03416	3.2
81.07059	45.2
83.04984	6.6
83.08607	12.2
91.05476	17.0
93.07058	13.9
95.04959	15.0
95.08600	10.0
97.06519	3.6
97.10200	14.8
105.07054	14.0
107.04939	5.4
107.08601	12.5
107.35988	2.0
109.06506	3.9
109.10168	15.0
111.04456	7.6
111.08071	5.5
116.45934	2.1
117.07027	10.4
117.12605	2.2
119.04967	3.0
119.08582	17.9
121.06496	4.9
121.10163	8.1
123.08075	6.0
125.09655	14.5
125.64007	2.2
129.07002	4.8
131.08568	7.6
133.10141	5.5
135.08067	5.3
135.11630	2.6
137.09561	2.4
143.08546	4.8
145.10159	11.5
147.08043	10.5
149.09709	4.1
151.70039	2.4
153.09120	4.3
153.12700	3.1
157.10144	3.8
159.11649	3.7
161.09692	5.2
163.11198	6.2
165.09135	3.6
169.10124	2.5
171.10266	2.1
173.09708	3.0
173.11751	5.4
181.12099	3.5
189.11259	12.1
191.10652	5.9
223.13258	2.5
227.12695	4.5
245.18930	3.6
249.14891	3.5
255.17366	2.8
273.18445	26.5
291.19559	100.0
305.95853	2.5
309.20685	4.5
445.29807	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83001	0.9
55.01869	6.7
57.03434	17.7
57.10838	1.0
61.02931	14.7
67.05513	1.2
69.03430	34.8
71.01347	3.9
71.05001	2.6
71.22898	1.9
73.02917	57.0
81.03417	7.0
85.02908	100.0
87.04471	4.6
91.03961	5.3
97.02893	56.4
99.04461	4.7
102.62453	1.0
103.03962	3.6
109.02881	8.3
109.10139	1.4
114.96617	1.0
115.03926	22.3
118.98300	1.0
127.03919	29.3
133.04205	0.8
133.04973	32.2
145.04962	47.6
150.07642	3.5
150.70627	1.2
163.04021	2.5
163.06032	14.0
217.07155	1.8
223.06030	5.6
241.07118	4.8
259.08130	5.0
283.22745	1.0
415.32587	1.2
498.35919	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
53.74125	2.5
53.74365	2.4
55.01867	6.3
55.05513	24.1
57.03436	29.5
57.07054	2.9
60.64300	2.1
61.02929	68.0
65.03942	3.3
67.05509	95.0
69.03432	41.5
69.07078	23.3
70.32664	6.3
70.57638	1.8
71.01349	6.2
71.04983	9.2
73.02916	31.4
79.05500	64.6
81.03421	24.1
81.07060	100.0
83.04980	5.7
83.08614	9.0
85.02908	67.2
85.06544	3.5
86.34018	2.1
87.04488	3.4
91.03957	39.8
91.05485	43.1
93.07044	63.7
95.04967	6.2
95.08609	70.6
97.02898	54.7
97.06517	5.1
97.10180	4.5
99.04457	9.2
101.02390	13.8
103.03940	8.3
105.04504	2.6
105.07026	32.1
107.04964	4.4
107.08604	39.3
109.02901	11.1
109.06508	5.1
109.10159	33.5
111.04417	3.0
111.08099	4.4
115.03910	7.6
115.05531	2.2
117.05463	3.4
117.07027	12.5
119.08588	26.5
121.10140	30.1
123.08054	3.8
123.11720	12.9
127.03911	19.9
129.05482	5.7
129.07014	5.5
131.08571	21.5
133.06616	1.9
133.10149	20.3
135.08043	3.4
135.11710	18.2
137.09596	4.2
137.13278	3.0
143.08574	5.0
145.04979	8.4
145.10112	16.7
147.11710	13.9
149.09598	3.6
149.13278	12.5
155.08517	2.5
157.10124	4.5
159.11707	11.4
161.13246	12.2
163.14861	5.0
169.10172	2.5
171.11612	2.7
173.13268	9.5
175.14957	4.0
183.06615	4.1
185.09637	2.9
185.13254	3.7
187.14830	5.2
201.07567	3.3
243.21124	4.1
245.76372	2.2
259.20709	4.9
261.22214	18.1
278.11295	2.0
301.21915	2.9
335.25845	62.7
336.26190	2.6
351.23209	2.6
363.25269	3.6
369.24371	3.3
387.25830	2.7
443.28052	2.8
461.28793	4.5
479.30106	2.7
497.31134	16.1
522.13635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
56.53072	0.6
57.03439	0.7
61.02931	1.2
65.03938	1.0
67.05494	2.5
69.03442	3.3
69.07076	42.3
69.75382	1.4
69.75786	3.4
79.05502	1.1
81.03423	1.3
81.07053	2.7
85.02906	6.9
91.05498	0.8
92.05022	1.2
94.06561	2.1
95.04945	0.9
97.02893	2.7
97.06536	6.8
98.20860	1.2
105.07037	0.7
109.02853	0.9
113.88790	0.6
118.61341	0.6
121.05247	0.8
122.06066	4.7
123.04581	0.6
124.07581	1.8
125.05942	0.6
127.03927	1.2
137.02397	0.6
137.05988	1.7
138.05513	3.2
140.07069	4.9
144.08104	1.2
145.08885	1.6
146.09689	1.6
147.06839	0.7
148.03946	1.3
150.05524	51.7
152.07050	0.7
153.01846	5.0
153.05515	3.7
153.06549	0.8
157.08882	0.7
159.10471	0.8
161.08372	2.6
162.09166	2.5
164.03471	0.9
166.05025	13.8
168.06639	1.4
172.07596	1.4
172.11224	2.6
173.08348	1.7
174.09154	1.3
174.12759	4.3
176.03447	3.1
176.10774	0.7
178.05020	1.4
185.08432	0.9
186.07747	0.9
186.09303	0.9
188.10678	0.8
190.12257	4.6
194.04459	2.0
198.07732	0.9
200.10751	4.6
202.12247	5.0
204.06683	0.6
206.11786	0.9
213.10187	0.7
216.10226	3.6
218.08360	0.8
218.11784	16.0
226.08675	1.1
227.11746	0.7
228.10239	10.5
229.13347	0.8
230.11659	0.9
234.11320	2.1
242.10594	0.8
243.11386	0.9
244.09724	1.2
246.11304	16.2
248.62529	0.7
255.11298	0.9
257.09308	1.1
261.12369	0.8
271.10742	3.2
272.09219	2.6
273.12323	1.9
274.10770	2.4
283.06119	1.8
285.04034	0.7
287.10321	5.9
289.11865	6.5
290.10278	1.6
291.13501	1.5
299.10254	5.4
303.04962	3.5
313.03387	6.3
313.06638	0.8
317.11343	25.4
318.09695	1.5
331.32132	0.7
335.12399	100.0
336.12711	1.5
387.07144	1.3
423.07596	0.6
447.07175	1.5
465.08374	0.7
497.17459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05034	0.6
57.07076	0.7
58.06612	0.4
60.08165	6.7
60.58530	0.2
61.01287	0.2
67.05500	0.4
69.07063	0.3
69.44878	0.2
71.07377	3.0
71.08640	0.6
72.46313	0.2
81.07050	0.5
86.09709	31.3
91.05505	0.5
93.07034	0.4
95.08609	0.6
98.98470	3.1
104.10754	3.6
105.07110	0.2
109.10184	0.3
116.51057	0.2
119.08574	0.3
125.00009	22.8
175.69186	0.2
184.07347	100.0
185.07695	0.4
189.16281	0.3
304.03708	0.2
313.27487	0.5
411.27313	0.3
478.32642	1.1
496.33368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.97862	0.2
55.05507	0.5
56.05036	1.2
57.03421	0.5
57.07082	3.5
58.06576	1.5
59.07377	0.5
59.81903	0.2
60.08164	17.2
67.05507	1.2
69.07064	0.6
70.06606	0.2
70.10218	0.9
71.07372	7.5
71.08630	1.9
81.07058	1.1
83.08621	0.7
85.10179	0.9
86.09705	51.8
93.07039	0.3
95.08611	1.3
97.10179	0.2
98.21443	0.3
98.98461	4.4
104.10742	100.0
105.11073	0.4
109.10148	0.5
125.00004	28.0
151.01184	0.2
163.01553	1.0
163.07599	0.3
166.06384	0.2
184.07338	98.6
185.07629	0.4
243.69633	0.2
258.10953	1.3
276.05804	0.2
313.27374	1.8
313.78635	0.2
390.00375	0.2
419.25558	0.6
478.32928	8.4
496.33975	27.2
497.34415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05271	1.8
55.05514	23.4
57.03442	14.4
59.05009	1.9
65.03944	2.3
65.70162	0.8
67.05508	37.2
68.53919	1.0
69.03433	5.0
69.07072	10.6
71.04993	7.5
78.41862	0.9
79.05018	1.3
79.05495	38.9
81.03421	84.3
81.07063	45.5
81.07449	0.6
83.04983	20.3
83.08619	35.7
85.02908	47.4
85.06535	3.2
91.05482	51.3
93.07050	27.2
95.04971	42.1
95.08604	14.6
97.02902	6.5
97.06527	7.1
97.10181	6.9
99.08110	2.2
105.04514	2.2
105.07037	35.4
107.04947	9.6
107.08607	13.5
109.06541	8.4
109.10170	5.2
111.04457	4.2
111.08091	18.4
113.06024	3.5
113.50581	1.2
115.05491	2.1
117.07039	3.3
119.04915	1.6
119.08583	28.1
121.06523	3.2
121.10146	16.2
123.08073	3.3
123.11661	2.3
125.05986	1.2
125.09636	2.7
127.07563	1.5
128.06270	1.4
129.07018	14.2
131.08575	16.3
133.06483	5.1
133.10139	16.7
135.08060	1.3
135.11749	1.5
137.05998	1.5
137.09627	3.6
142.07822	5.2
145.10179	3.6
147.08023	5.3
147.11684	21.9
149.09642	10.4
151.11215	1.7
157.10124	19.7
163.11162	2.0
165.12758	4.7
175.11191	21.8
184.67482	0.9
189.11333	1.2
193.12256	82.3
194.09192	1.3
194.12698	2.1
204.69528	0.9
211.13301	100.0
212.13699	2.6
227.12830	1.1
267.15970	7.8
275.11935	2.8
277.13425	6.7
285.16998	4.6
287.11725	1.2
290.10641	1.3
303.11343	4.4
305.12845	31.9
315.11365	3.8
329.06534	1.2
333.12350	31.7
334.12732	1.1
367.22778	1.5
385.23602	2.4
401.28815	1.1
403.24930	1.5
433.25787	1.0
459.27655	3.1
477.28479	7.0
495.29584	78.1
496.29742	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
52.98984	0.7
53.03941	3.9
55.05513	20.9
57.03437	16.1
57.07058	0.9
59.04976	1.2
65.03914	2.0
67.05506	33.0
69.03446	6.1
69.07066	8.2
69.29918	2.1
69.30326	4.3
69.38795	0.7
71.04996	8.4
79.05495	36.8
81.03421	88.3
81.07057	40.1
82.03724	1.0
83.04503	0.9
83.04984	18.9
83.08622	33.0
84.93005	0.7
85.02908	46.7
85.06510	3.2
87.04450	1.0
90.82432	0.7
91.05486	46.7
93.07047	24.4
95.04973	38.7
95.05517	0.8
95.08076	1.0
95.08614	14.7
97.02916	4.3
97.06550	5.3
97.10165	4.6
99.08057	1.2
105.04520	0.9
105.07037	31.0
107.04966	7.3
107.08600	10.9
109.06507	5.9
109.10152	4.9
111.04461	4.1
111.07386	1.1
111.08085	14.2
113.06026	4.0
115.05479	4.1
116.06226	0.7
117.07023	3.5
119.08592	28.3
121.06485	2.2
121.10138	13.0
123.08064	3.1
123.11655	2.2
125.05975	0.9
125.09598	2.1
127.07583	0.9
128.06218	1.9
129.07014	14.7
131.08568	16.4
133.06468	3.3
133.10136	14.5
137.09607	3.2
141.07066	0.8
142.07765	3.5
145.06488	1.1
145.10123	2.9
147.08023	3.4
147.11691	20.2
149.09616	7.1
151.07500	1.0
151.11183	0.9
157.10133	16.2
163.11160	0.9
165.12764	5.3
175.11194	23.5
189.11285	1.1
193.12253	81.3
194.12585	2.2
211.13292	100.0
212.13602	1.7
221.49324	0.7
227.12711	0.8
249.14937	0.9
267.15930	7.6
285.16986	3.0
339.23166	1.0
359.22522	0.9
367.22824	1.6
385.23639	1.3
451.26706	1.1
459.27405	2.1
477.28262	4.3
495.29572	77.7
496.30057	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	495.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03702	1.8
53.03943	7.3
54.91651	2.1
55.01878	10.4
55.05520	25.4
56.05029	2.3
57.03450	13.8
62.49836	2.0
65.03941	4.5
66.55311	1.9
67.05513	48.3
68.05041	13.7
69.03438	7.5
69.07084	13.2
71.05013	9.0
71.34225	4.0
79.05501	45.7
81.03426	77.2
81.07064	56.7
81.50787	1.8
83.05003	21.0
83.08626	27.0
85.02916	38.1
91.05489	57.2
93.07054	33.4
95.04977	36.3
95.08618	19.7
97.02910	7.4
97.06541	8.1
97.10185	5.3
99.04499	2.7
99.08132	2.9
99.11838	2.4
99.38912	2.0
105.07043	36.7
107.04978	9.6
107.08592	19.8
108.08119	2.9
109.06537	7.7
109.10141	9.3
111.04465	5.7
111.08098	16.3
113.06009	2.7
115.05472	4.2
117.07029	10.9
118.06584	6.5
119.08595	30.5
121.06568	2.3
121.10163	18.1
123.08073	4.5
123.11759	2.9
125.09656	5.1
128.06261	2.3
129.07008	18.4
130.06520	2.2
131.08586	19.7
132.08069	2.0
133.06519	3.7
133.09222	2.9
133.10136	16.1
135.07994	2.6
135.11694	4.4
137.09628	5.1
142.07870	4.1
143.08611	3.9
144.08102	70.5
145.10130	4.8
146.09689	2.3
147.08104	5.0
147.11711	20.5
149.09656	7.8
149.13248	3.2
154.08688	2.4
155.07332	3.0
156.08058	9.7
157.09047	3.1
157.10130	14.7
158.09669	6.9
159.11742	3.1
163.11162	4.0
165.12819	4.3
167.07378	4.3
168.08115	5.0
170.09674	41.4
172.11259	2.0
175.11226	19.0
182.09688	16.7
184.09987	2.2
193.12260	71.6
194.12689	2.2
199.12321	37.9
209.11850	2.5
211.13304	79.6
221.10692	2.7
227.12849	4.5
251.15588	8.3
265.13409	4.7
267.15979	10.5
283.15411	2.2
285.17123	5.8
297.15976	21.2
297.18723	1.9
323.18204	2.2
349.21564	1.8
436.80237	1.9
451.27267	3.3
459.27563	2.9
463.25159	4.6
477.28476	6.9
495.29053	100.0
496.29459	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	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01874	30.4
55.05269	3.7
55.05514	41.9
56.96540	2.1
57.03444	11.4
57.07085	10.6
61.02926	5.0
65.03947	4.2
67.05507	89.0
68.05042	2.3
69.03420	8.5
69.07070	27.9
69.39381	7.8
69.39807	9.8
71.01345	3.5
71.04999	11.0
71.45425	2.5
73.02920	3.6
79.05499	73.5
81.03426	13.9
81.07063	100.0
81.32298	2.3
82.04200	8.2
83.04987	27.8
83.08626	23.2
85.02900	5.5
85.06541	3.5
91.05487	54.2
93.07051	68.6
95.04977	27.6
95.08618	28.6
97.02917	2.7
97.06541	24.5
97.10161	9.9
98.07323	9.5
99.08118	5.4
101.06013	3.1
105.04509	3.3
105.07038	30.2
107.04952	6.7
107.08598	41.1
109.06512	4.9
109.10172	10.7
111.04471	3.5
111.08089	12.0
117.07011	13.3
119.08588	14.5
121.06531	4.6
121.10154	24.8
123.08070	9.6
123.11724	3.1
125.09648	11.1
127.11199	3.9
129.05516	3.3
129.07018	6.8
130.06546	2.3
131.08571	18.4
133.06487	4.1
133.10152	20.8
135.08083	4.7
135.11720	14.8
137.09718	2.3
143.08554	2.7
144.08121	11.8
145.10158	6.1
147.11711	13.4
148.12500	3.8
149.09608	2.2
149.13266	34.0
151.11218	3.8
153.12796	2.7
156.08054	3.3
157.10149	9.7
158.05757	7.2
158.09865	2.3
159.11722	16.6
159.12830	2.5
163.11209	6.2
165.12755	4.3
170.09671	7.4
171.06575	14.9
175.11226	8.4
177.12752	8.3
181.12219	3.8
182.09666	3.2
185.08095	5.3
189.11287	2.5
189.96240	2.3
193.12189	11.0
195.13826	15.6
199.09676	4.4
199.12105	2.4
199.13503	2.8
206.15764	2.3
209.11725	5.8
211.13348	8.8
213.11163	2.5
213.14738	2.8
227.12808	6.1
235.69598	2.4
255.15944	9.1
267.09134	4.2
267.15845	6.0
269.10651	2.9
269.17413	11.9
283.15332	2.7
285.10004	2.6
295.19098	3.5
297.16058	3.4
323.18478	8.1
323.22086	4.0
351.21716	4.3
423.27393	4.2
477.28119	7.4
478.29202	5.3
495.29425	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
55.05502	2.1
56.05028	3.1
57.03431	1.2
60.68325	1.0
61.02913	3.1
64.30376	0.8
66.86160	0.8
67.05515	5.7
68.05031	31.2
69.03444	1.5
69.07047	1.8
71.04968	1.0
71.07378	1.3
71.07753	2.3
73.02906	1.6
74.78690	0.9
78.37399	0.9
79.05499	6.8
81.03401	2.4
81.07066	7.1
83.04964	1.5
83.08632	1.4
83.54996	1.0
85.02905	2.6
91.05480	6.6
93.07050	5.3
95.04984	1.9
95.08589	3.3
97.02863	1.9
97.10165	1.0
105.07037	4.5
107.04966	1.1
107.08578	3.3
108.08103	1.3
109.10149	1.4
115.05446	1.5
117.06999	4.2
118.06545	12.4
119.08572	3.0
121.10104	2.5
122.06015	2.8
123.08006	1.1
127.07401	0.9
128.06226	2.0
129.06975	4.6
130.06535	5.2
131.07288	1.1
131.08565	4.1
133.10086	1.6
135.11653	1.6
142.07738	1.1
143.07329	2.8
143.08560	6.4
144.08089	100.0
145.08423	1.1
145.10110	3.4
145.11179	1.0
146.09674	6.1
147.11674	2.4
149.13260	1.2
153.07033	1.5
154.06534	2.5
154.08647	4.6
155.07324	8.2
155.08505	1.7
156.08102	19.0
157.08900	2.1
157.10089	1.9
158.09665	10.3
159.11740	1.1
166.08669	3.0
167.07329	7.9
168.08122	7.0
170.09657	83.2
171.09108	1.8
171.11623	1.5
172.11261	1.3
173.13284	1.3
182.09660	34.6
183.11728	1.1
184.09978	2.7
185.13225	1.5
199.12320	69.2
205.70981	0.9
211.13417	1.1
221.10709	2.0
226.64143	1.1
251.15468	6.7
265.13428	11.3
271.14377	3.4
277.13388	1.7
297.16000	45.5
309.15811	1.2
333.24258	2.6
346.20151	1.0
350.18701	1.2
377.01172	0.9
441.26309	2.3
459.27347	1.3
463.24866	6.3
477.28241	1.6
495.27606	57.6
496.28055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01851	2.2
55.05513	6.3
57.03422	2.9
67.05512	8.6
69.03411	1.9
69.07044	2.1
70.29958	0.7
79.05080	0.7
79.05498	7.8
81.03423	6.6
81.07062	7.8
83.04971	2.1
83.08627	3.7
85.02903	5.7
85.06535	1.1
91.05485	8.9
93.07048	5.9
95.04977	6.2
95.08599	3.0
97.02884	1.5
97.06526	1.9
97.10168	1.2
98.05978	0.8
100.11239	4.5
103.05430	0.8
105.07026	6.1
107.04948	3.1
107.08595	3.9
109.02854	1.2
109.06530	5.0
109.10165	1.9
111.08051	1.3
115.05505	1.3
117.06952	1.7
119.08578	3.5
121.06490	1.7
121.10117	2.9
123.08065	1.8
125.09641	1.3
127.03931	8.7
129.07007	2.2
131.08548	4.2
133.06482	1.6
133.10127	3.4
135.11682	1.3
137.05951	1.1
137.09625	0.8
139.11159	0.7
143.08554	0.8
144.08067	2.4
145.10103	1.8
147.04404	0.9
147.11705	2.6
149.09613	1.7
153.75665	0.7
157.10097	2.3
161.09531	0.8
163.11151	1.1
167.07172	0.9
168.13797	1.1
169.07616	0.8
175.11133	1.4
182.15381	0.9
184.16945	1.1
187.11206	0.7
191.14256	1.3
193.08623	1.3
193.12204	5.7
194.09029	1.2
204.08104	0.9
210.14914	1.2
211.13295	6.1
218.09625	1.2
219.13815	3.9
229.27728	0.8
242.09686	1.3
243.09154	0.8
247.08690	1.2
247.12492	0.9
248.09351	0.7
257.10959	0.8
259.12335	2.1
259.15417	1.5
261.06955	0.7
261.10269	2.4
262.11215	3.5
263.11786	0.8
267.15955	1.3
269.10800	0.9
271.08661	1.0
272.09363	2.2
275.08511	1.3
275.11768	10.2
276.12479	1.8
277.13379	22.3
285.10318	1.9
287.11734	5.4
289.09598	1.1
290.10571	3.1
293.17392	0.8
295.20294	1.5
300.08820	1.0
303.11282	12.4
305.12854	100.0
306.13101	2.3
315.11337	8.3
329.06519	2.6
333.12344	98.4
334.12601	1.3
349.21408	1.0
385.23727	1.2
459.26935	1.2
477.28564	2.8
495.29504	6.6
495.39175	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	495.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01030	0.8
68.44495	0.9
69.03392	1.1
69.79639	2.0
69.80056	3.1
78.35418	0.8
79.05490	1.9
81.03407	3.9
85.02880	1.8
89.03937	7.1
91.05464	1.3
99.04411	1.0
105.07037	2.0
107.04948	2.6
109.02865	1.6
117.03395	10.2
133.06529	1.2
135.04413	16.2
137.05981	1.3
145.02861	9.7
145.03920	1.6
162.06331	1.4
163.03911	100.0
181.04948	2.3
193.08496	1.1
193.73889	0.9
194.08913	1.0
261.07657	1.4
278.38086	1.0
307.07968	4.8
325.09265	2.0
333.06284	1.2
372.38760	1.2
495.14600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0775
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
53.07181	0.2
53.91917	0.2
55.01869	0.6
57.03446	1.2
67.01889	0.3
68.99488	0.2
68.99804	2.0
69.03424	0.6
69.93262	1.0
71.01351	1.8
73.02930	3.4
74.21509	0.2
75.04471	0.5
81.03420	0.3
83.01307	0.4
85.02911	10.0
95.01352	1.4
97.02894	0.8
99.00790	0.6
101.02392	0.3
103.03947	0.7
105.07028	0.4
109.02899	1.2
111.00800	2.9
111.04474	0.2
113.02378	4.2
126.03117	0.3
127.03944	0.4
131.03435	1.9
137.02357	1.7
139.03972	0.3
141.01852	1.8
147.49806	0.2
149.05984	0.3
153.01839	11.2
153.05434	0.3
159.02907	2.0
161.05981	0.4
162.06247	0.2
163.03888	0.4
165.01837	3.8
166.02628	0.5
171.04411	0.3
175.03896	0.5
177.05420	0.3
179.03415	1.7
183.02902	1.2
189.05446	0.9
194.09012	0.3
195.02969	0.6
197.06950	0.2
199.03883	0.6
203.03374	0.7
207.06590	0.3
209.04582	0.3
217.04993	3.7
221.04347	0.3
227.03362	0.4
229.04892	0.4
232.03656	0.4
235.02452	0.4
244.03702	0.6
245.04483	4.6
255.03026	0.5
263.05621	0.8
273.03928	5.4
280.38449	0.3
283.02579	0.4
290.04123	1.1
301.03513	0.9
319.04504	100.0
320.04776	1.8
406.19623	0.3
477.06467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.2
55.01870	3.4
57.03428	4.0
58.75647	1.5
61.02940	8.6
68.48565	1.2
69.03433	14.7
70.06578	1.3
71.04995	3.1
71.49104	1.5
73.02908	2.6
76.98505	1.2
81.03421	5.2
85.02915	100.0
86.02361	1.3
87.04458	3.0
91.03977	5.0
93.03352	1.2
97.02905	24.7
99.04469	2.8
105.07069	1.7
106.06568	1.9
109.02902	9.0
117.88199	1.3
121.02888	25.8
122.24055	1.3
124.07589	2.5
127.03927	22.6
134.06013	1.3
135.04399	1.6
145.04970	45.6
152.07050	4.7
153.05478	29.2
163.03958	6.1
163.06015	14.2
170.08122	1.9
179.41405	1.2
203.26091	1.3
270.07947	1.4
294.15085	1.4
405.53073	1.5
469.01450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01851	1.7
55.05510	18.0
57.03439	8.4
57.07076	54.6
65.03921	2.1
67.05505	60.8
69.06750	1.4
69.07077	19.5
71.01350	3.9
71.04980	4.1
71.08632	31.6
71.50883	2.2
79.05492	38.5
81.03408	6.1
81.07055	46.1
83.04977	9.9
83.08626	20.0
83.96696	1.3
85.06540	3.1
85.10187	19.3
91.05483	21.9
93.07042	45.8
93.25833	1.2
95.04961	4.8
95.08610	38.1
97.06525	10.4
97.10181	11.9
99.08115	2.0
99.70586	1.5
105.07021	6.1
105.71215	1.4
107.04987	2.2
107.08598	27.6
109.10147	19.5
111.11677	2.3
117.07011	4.4
119.08602	6.8
121.06520	2.7
121.10151	6.4
123.11707	6.0
133.10139	3.2
135.11690	49.1
137.09625	1.7
137.13254	2.3
139.07516	2.4
145.10121	9.2
147.11769	1.5
153.12729	3.3
163.11176	8.1
173.11681	1.7
181.12263	9.2
221.22678	1.9
224.82753	1.4
239.23706	12.3
247.48401	1.3
288.04254	1.3
493.30151	10.2
493.38879	100.0
494.39252	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	494.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01860	1.8
57.24955	0.9
63.57998	1.2
69.03426	1.5
69.34345	3.8
69.34770	3.9
79.05505	4.6
81.03413	1.0
85.02905	5.8
91.05479	2.3
97.02888	1.2
103.05496	5.9
105.07037	47.9
115.05458	9.5
118.04139	2.7
127.03921	1.2
131.04984	1.0
133.06502	46.9
137.05945	0.9
143.06059	3.5
151.02388	0.9
161.05986	100.0
162.06369	1.1
180.08682	2.1
183.10139	1.0
193.08615	90.3
194.09039	1.0
279.74686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01868	2.5
55.05511	21.3
57.03439	7.6
57.07077	52.5
57.29216	0.9
61.63364	0.9
65.03942	1.8
65.90154	1.0
67.05506	56.1
69.03436	1.1
69.06736	1.5
69.07070	20.9
71.01350	3.9
71.04987	4.3
71.08633	33.8
73.02922	1.9
79.05495	41.1
81.03412	6.8
81.07059	41.1
81.21956	1.0
83.04974	7.9
83.08624	18.1
85.06538	3.9
85.10188	20.4
89.60616	1.1
91.05485	17.4
93.07044	42.4
95.04976	6.3
95.08611	33.4
97.06532	10.6
97.10175	14.6
98.20729	2.3
99.04475	1.1
99.08119	1.8
105.04512	1.3
105.07032	5.4
107.04963	1.8
107.08598	27.2
109.06498	1.7
109.10161	19.2
109.10850	1.6
111.08094	1.6
111.11757	2.0
117.07028	3.6
119.08589	7.0
121.06509	1.7
121.10151	5.7
123.11729	7.6
123.25700	1.1
125.09653	1.6
125.13256	1.9
127.03920	1.0
130.07777	1.5
131.08669	1.1
133.10156	2.8
134.38031	0.9
135.08009	1.5
135.11690	50.4
137.09633	1.2
137.13274	2.7
145.10129	7.5
151.14761	1.2
153.12737	1.8
163.11183	7.5
181.12241	9.5
193.12297	2.7
199.13405	1.6
221.22534	1.6
239.23685	12.6
313.27573	1.3
493.38913	100.0
494.39197	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03936	6.2
54.02221	1.9
54.87223	2.0
55.01876	17.1
55.05515	44.0
57.03432	13.8
59.04991	2.4
60.58681	1.9
65.03944	4.8
67.05505	44.2
69.03414	6.0
69.07066	12.1
69.15758	12.7
69.16183	7.0
71.01344	3.3
71.04982	10.6
79.05498	51.5
81.03423	76.4
81.07056	47.8
83.01345	8.2
83.04985	27.2
83.08623	31.3
85.02444	2.7
85.02914	34.5
85.06554	3.8
91.05486	52.1
93.07053	47.5
95.04970	37.3
95.08607	23.2
97.02898	6.4
97.06529	11.3
97.10156	6.3
98.21558	4.3
99.04502	2.9
99.08079	2.4
103.05503	2.3
103.49859	1.9
105.07040	36.2
107.04958	20.6
107.08595	24.1
109.06540	11.4
109.10154	6.8
111.04449	8.4
111.08086	16.5
113.06012	3.9
115.05447	2.4
117.07014	11.3
119.08588	29.8
121.06500	7.8
121.10143	17.6
121.88300	1.8
123.08089	10.6
123.11703	2.4
125.05961	2.2
125.09624	3.3
129.07024	15.3
130.07784	5.5
131.08585	15.2
133.06505	3.9
133.10135	11.1
135.08044	3.9
135.11684	16.6
137.09630	4.2
142.07712	2.7
145.06512	2.1
145.10112	19.2
147.08060	5.9
147.11697	15.7
149.09645	8.1
153.12805	5.0
157.10149	13.2
163.11177	34.5
165.09038	2.8
165.12744	4.2
173.09642	2.5
175.11177	15.7
181.12256	5.6
191.10696	4.3
193.12265	64.3
209.11723	13.1
211.13321	74.4
227.12740	7.1
267.15897	5.6
283.15555	3.7
383.22180	4.8
404.10004	1.8
411.67767	2.0
475.27005	7.1
493.27966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
55.01876	14.7
55.05518	39.7
57.03451	14.0
59.05000	4.3
65.03965	2.9
67.05186	3.6
67.05513	54.1
69.03429	7.7
69.07071	15.6
71.04992	8.4
78.89421	2.7
79.05501	56.2
81.03421	76.2
81.03873	5.4
81.07066	50.1
83.01337	8.2
83.04989	27.1
83.08631	39.3
83.97793	3.3
85.02921	18.5
85.06538	3.3
88.30189	2.6
90.69294	2.7
91.05481	54.7
93.07053	48.4
95.04974	40.9
95.08625	18.9
97.02917	9.3
97.06534	8.0
97.10185	15.9
99.04439	4.5
105.03401	3.1
105.07043	35.8
107.04967	25.0
107.08615	22.8
109.06535	12.6
109.07202	2.7
109.10150	19.5
111.04456	16.0
111.08115	13.2
115.05495	2.7
117.07030	9.0
119.08585	28.8
121.02901	6.0
121.06516	8.8
121.10156	18.3
123.08080	10.3
123.11729	3.7
125.05935	3.6
125.09663	15.4
129.07034	15.1
131.04970	3.0
131.08574	19.0
133.10144	11.0
135.08101	7.8
135.11696	11.4
142.07918	2.8
145.10135	18.4
147.04340	3.1
147.08018	6.4
147.11722	12.5
148.34416	2.6
149.09624	6.9
153.09097	3.7
153.12788	7.6
155.08588	6.1
157.10168	13.2
163.11200	25.3
165.12907	3.7
175.11247	12.4
181.12212	7.0
189.11266	7.9
191.10608	6.7
193.12244	54.0
201.12840	3.2
203.14384	2.9
209.10063	2.9
209.11763	16.9
211.13283	45.7
227.12720	16.6
231.13808	4.1
232.69911	3.1
247.13300	18.5
249.14926	11.0
265.14459	4.8
267.15979	9.5
283.15399	8.0
321.16962	5.3
365.21152	6.0
383.22357	7.9
401.23309	11.7
419.23926	4.6
457.25360	3.5
475.26828	30.2
493.27994	100.0
507.30890	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	493.2799
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03944	8.2
55.01884	13.2
55.05513	30.3
57.03445	16.1
59.04981	3.1
60.67574	2.0
65.03934	3.5
67.05176	3.3
67.05508	35.4
69.03418	3.8
69.07072	11.4
70.15640	6.2
70.16019	3.8
71.04990	7.8
79.05498	43.6
81.03424	67.6
81.07056	43.5
83.01345	8.2
83.04990	24.7
83.08613	30.7
85.02907	31.0
85.06539	2.4
91.05482	47.7
93.07047	44.3
95.04978	33.5
95.08611	14.5
97.02889	5.5
97.06533	7.2
97.10149	5.8
99.04481	2.6
105.07044	29.9
107.04971	14.2
107.08607	24.5
109.06518	9.3
109.10147	4.7
111.04439	7.5
111.08084	13.8
113.05998	2.5
115.05442	2.4
117.07010	8.8
119.08599	23.5
121.06490	6.2
121.10172	15.5
123.08101	9.9
125.05983	4.0
125.09673	3.1
129.07028	11.7
130.17528	1.9
131.08553	14.3
133.06535	3.0
133.10139	9.1
135.08049	2.6
135.11699	12.5
137.09642	3.5
145.10123	17.6
147.08046	5.1
147.11754	11.0
149.09651	4.7
153.12730	6.1
157.10156	12.8
163.11197	29.3
165.12753	4.4
173.09625	2.8
175.11221	14.8
181.12230	6.7
189.11334	2.4
191.10675	4.1
193.12260	61.0
209.11746	10.4
211.13289	71.1
227.12697	4.9
240.78156	2.2
252.44928	2.0
267.15903	5.0
273.94324	1.9
283.15399	2.4
285.17319	2.2
350.36319	1.9
383.21957	4.9
401.23306	3.0
404.82422	2.2
405.28226	2.3
475.26797	6.2
493.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
55.01878	18.2
55.05515	45.8
57.03442	14.5
57.07058	3.6
65.03940	7.4
67.05506	70.3
69.03436	11.0
69.07072	18.1
70.62940	3.2
71.05001	8.9
76.99678	3.3
79.05498	75.4
81.03423	100.0
81.07059	55.8
83.01350	3.0
83.04971	31.0
83.08621	41.3
85.02898	22.6
88.96095	2.7
91.05486	61.4
93.07047	63.3
95.04969	53.1
95.08608	37.6
96.71719	2.7
97.02889	7.4
97.06538	10.2
97.10184	21.3
99.04472	5.4
105.07039	34.6
107.04961	27.6
107.08600	43.6
109.06527	8.5
109.10160	25.3
111.04426	21.1
111.08094	18.4
115.05408	4.3
117.07027	18.1
119.08587	38.0
121.02888	8.7
121.06524	9.6
121.10151	26.5
123.08070	9.6
125.06012	3.6
125.09665	16.0
128.06229	2.9
129.07001	18.6
130.07785	3.9
131.08571	23.1
133.06514	11.0
133.10124	14.2
134.13002	3.3
135.04459	8.2
135.08076	7.9
135.11693	34.0
145.06537	3.5
145.10136	29.1
147.04500	3.3
147.08051	9.0
147.11646	20.2
149.05931	4.1
149.09636	11.6
153.12764	7.9
155.08585	3.7
155.10718	4.0
157.10141	18.0
159.08371	3.1
159.11700	3.9
163.11192	52.4
165.12785	4.1
171.10225	4.5
173.09705	8.0
175.11238	15.6
181.12280	18.2
183.11749	4.4
189.11229	9.9
191.10657	8.6
193.12231	68.4
209.11790	10.8
211.11377	3.3
211.13284	65.9
219.13809	7.2
227.12788	72.6
227.14946	5.1
229.14346	4.2
247.13351	28.2
249.14934	8.5
259.13284	4.0
267.15854	20.2
283.15463	11.8
321.17117	7.2
355.22995	4.5
365.21277	4.9
383.22278	11.9
389.54587	2.8
401.23218	9.6
436.82654	3.0
467.40060	3.0
475.26920	36.2
493.27994	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54169	0.5
53.03941	0.5
55.01867	0.8
55.05512	5.6
57.03441	0.7
67.05518	3.1
69.03431	0.6
69.07054	0.7
70.62858	1.4
72.08158	45.3
79.05493	4.2
79.52381	0.5
81.03432	3.0
81.07052	4.1
83.04977	1.4
83.08624	1.9
91.05473	2.8
93.07050	3.7
95.04981	1.4
95.08605	2.2
97.06586	0.7
97.10150	1.0
98.20810	0.6
103.05463	2.5
105.07023	2.1
107.08612	1.3
109.10157	1.0
117.07066	1.0
119.08536	1.7
120.08108	100.0
121.06477	0.7
121.10163	1.4
123.08058	1.0
125.09639	1.4
129.07021	0.7
131.08559	0.9
133.10153	1.2
135.11682	0.8
145.10121	0.9
147.11703	1.0
149.09602	0.7
163.11247	0.9
171.14929	5.6
174.12799	3.2
189.11183	0.6
193.12263	1.3
196.41293	0.5
199.14456	6.6
211.13306	1.0
219.14944	16.7
222.12770	1.0
247.14429	20.6
267.14890	7.8
273.19263	0.7
291.19556	1.2
295.14404	13.6
298.95959	0.5
301.19012	2.4
321.19653	1.3
346.21277	7.0
349.19135	2.3
361.43274	0.5
383.22183	1.1
394.21335	4.3
401.23355	0.5
448.25797	0.9
465.28522	1.0
475.26776	0.6
493.27655	3.7
513.36548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03945	7.3
55.01876	14.7
55.02290	1.4
55.05513	37.8
57.03440	16.5
57.07075	3.1
59.04998	4.1
67.05506	41.6
69.03430	4.0
69.07065	15.8
69.65791	8.7
71.01349	3.0
71.05001	10.0
74.28820	1.4
79.05494	52.2
81.03419	76.3
81.07058	53.4
81.07533	2.6
83.01357	10.7
83.04983	26.7
83.08620	34.3
85.02908	36.1
85.06528	3.5
91.05484	56.6
93.07047	44.9
95.04967	41.1
95.08609	20.9
97.02900	6.0
97.06543	10.3
97.10187	7.7
99.04415	2.8
99.08089	1.9
102.57747	1.3
105.07033	31.4
107.04961	15.2
107.08591	23.9
109.06507	13.1
109.10147	8.0
111.04456	5.5
111.08077	13.9
115.05451	3.2
117.07024	12.6
119.08585	29.3
121.06513	5.8
121.10151	16.6
123.08057	11.1
123.11715	3.5
125.05981	3.6
125.09643	4.8
128.06232	1.6
129.07001	11.9
130.07823	2.6
131.08569	13.8
132.59731	1.4
133.06482	3.3
133.10136	12.8
135.08092	2.6
135.11668	16.9
137.09648	4.0
139.07571	1.6
142.07779	3.1
144.08128	2.9
145.06419	1.8
145.10118	19.3
147.08044	7.1
147.11702	13.3
149.09679	6.8
151.11240	1.8
153.12759	6.7
155.08522	2.1
157.10156	13.3
163.11183	34.0
165.12770	2.8
171.09105	1.8
173.09636	5.7
175.11203	17.5
181.12254	6.0
191.10725	4.7
193.10439	2.2
193.12250	64.2
209.11687	11.5
211.13290	68.6
211.15311	3.3
227.12805	5.2
249.14832	3.6
267.15924	5.9
283.15439	4.2
285.17053	1.6
383.22256	4.6
401.23349	3.6
475.26703	3.8
493.27969	100.0
494.28687	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	492.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01862	4.3
56.05037	11.2
57.03426	4.5
58.13565	1.8
61.02915	8.2
67.05503	3.6
69.03428	16.9
70.06569	2.4
73.01144	51.0
73.02908	1.9
75.02708	2.4
79.05510	8.7
80.05010	5.5
81.03420	18.5
81.07046	2.4
85.02906	38.0
85.03391	4.0
87.04464	4.0
88.02238	3.8
90.03773	16.4
91.03938	2.7
93.07014	1.9
95.04964	21.6
96.04486	2.8
97.02893	20.3
99.02693	2.9
99.04453	4.3
100.02181	3.4
102.03775	3.3
102.05547	4.9
102.12878	1.7
103.05440	3.1
105.07006	4.0
106.06554	31.1
107.04960	15.0
108.08054	2.0
109.02901	10.6
110.06029	1.8
113.23644	1.8
116.05319	13.6
119.01626	4.5
121.06506	3.6
122.02393	2.5
123.04430	10.1
124.03957	79.6
124.07577	1.9
125.02348	35.2
125.06014	2.1
126.05505	5.5
127.03932	9.4
128.62123	2.0
131.04916	2.9
134.02716	2.7
136.04297	16.4
144.04778	2.7
145.03163	4.3
145.04947	5.2
146.02681	6.4
148.07596	4.9
149.06000	8.1
150.05537	3.8
151.03905	76.8
153.05460	4.9
159.04430	2.1
160.04317	2.1
162.05840	11.9
163.03784	1.8
164.07076	7.1
176.07141	4.9
177.05444	8.5
195.06581	10.0
196.04332	10.8
198.05841	12.5
200.07419	8.1
205.67053	1.8
206.11595	1.8
208.06088	7.5
224.04053	9.2
224.07402	76.4
224.09631	3.7
226.08891	2.0
232.09642	8.4
234.07561	2.6
238.08797	2.1
242.04811	45.4
242.08498	4.6
244.06404	23.6
260.05835	5.2
266.08475	18.6
268.07040	2.6
268.09988	20.7
268.50958	1.9
284.09546	2.8
286.11072	8.3
294.07980	36.8
299.58188	2.4
312.08997	100.0
326.89243	1.8
330.10059	86.8
386.12625	2.1
474.14175	5.3
492.15335	47.6
502.15018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09198	1.4
53.03942	4.7
53.59890	1.5
56.05042	12.1
57.03429	2.4
58.09443	1.8
61.02921	5.4
64.90427	1.9
67.05499	4.9
68.70131	1.7
69.03432	20.0
70.06577	3.8
70.94994	4.6
71.04989	2.3
73.01139	46.6
73.02927	2.1
75.02681	2.2
79.05489	7.8
80.05023	7.1
81.03425	15.3
81.07029	3.2
85.02440	1.4
85.02903	34.3
87.04459	4.2
88.02212	3.8
90.03780	14.3
93.07034	2.2
95.04984	17.0
96.04472	2.1
96.99910	2.0
97.02893	19.9
99.02657	2.0
99.04450	3.1
100.02164	2.5
102.05543	4.0
106.06557	26.0
107.04974	13.6
109.02883	11.2
109.06498	2.7
116.05305	10.4
118.03249	2.4
119.01616	2.9
121.06522	3.4
122.02336	1.8
123.04423	7.9
124.03961	71.8
124.07519	2.7
125.02359	31.0
125.88353	1.7
126.05463	2.9
127.03936	8.4
130.06519	2.9
132.44266	1.6
134.02711	2.7
135.04375	2.3
136.04282	11.8
140.03419	3.4
145.03188	4.7
145.04968	3.5
146.02654	4.1
148.07579	6.2
149.05986	5.3
150.05519	4.6
151.03909	71.4
152.04277	2.0
153.01805	1.7
153.05492	3.4
162.05812	9.8
162.09207	2.4
163.03870	2.3
164.07098	8.1
165.49077	1.7
176.07056	4.4
177.05486	6.6
195.06543	8.1
196.04269	9.9
198.05862	10.6
200.07349	4.4
202.18768	2.0
203.99396	2.2
206.11862	3.2
208.06009	4.6
224.03741	9.1
224.07387	74.4
226.05302	2.7
232.09724	8.2
234.07611	5.0
242.04799	47.9
242.07458	2.2
242.08492	4.4
244.06354	20.2
260.05872	4.2
266.08453	14.9
268.10010	22.2
284.09576	4.1
286.11142	10.7
294.07932	36.2
312.08997	100.0
330.06055	4.1
330.10034	86.5
346.46112	2.1
430.16373	1.9
474.14297	5.1
492.15341	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.56017	0.5
55.01860	1.8
55.05518	5.2
57.03441	1.4
59.04366	0.5
65.03937	0.6
67.05177	0.9
67.05505	9.7
67.09813	0.5
67.82195	0.5
69.03420	0.8
69.07058	2.3
71.05006	2.5
71.33479	0.8
79.05497	8.2
81.03425	2.4
81.07059	11.3
83.05012	2.4
83.08624	1.7
85.06530	0.7
91.05482	6.0
93.07047	8.4
95.04952	3.9
95.08606	5.4
95.70988	0.6
97.06525	1.0
97.10172	1.9
105.07032	3.4
107.04961	7.2
107.08598	4.9
109.06555	2.9
109.10158	8.8
111.08086	0.8
115.05497	0.7
117.07036	2.6
119.08604	4.9
121.06519	5.5
121.10136	3.0
122.07320	1.3
123.08044	1.0
123.11700	7.5
125.09654	2.6
129.07010	1.7
131.04945	0.9
131.08559	3.8
133.06494	1.4
133.10156	1.7
135.08057	2.1
135.11705	1.6
137.09622	14.0
139.07574	0.6
141.06946	0.9
143.08571	1.6
145.06516	2.2
145.10126	3.3
147.08041	1.3
147.11691	0.9
149.09596	1.5
155.08559	1.2
155.10707	0.7
157.10100	0.9
159.08066	1.3
159.11647	0.6
161.09608	1.0
163.11200	2.3
165.09119	100.0
166.09431	1.7
167.10664	0.7
171.08151	0.6
173.09637	0.6
173.13220	0.6
175.07567	0.7
175.11217	1.0
181.10280	0.7
181.12234	0.7
183.10184	1.1
187.11229	0.8
189.09268	0.6
189.11183	1.3
191.14256	1.0
193.12331	0.8
199.13217	0.7
201.11290	1.2
203.14395	0.7
205.12303	0.7
209.11751	1.1
219.13806	1.8
227.12782	1.2
233.15375	0.7
249.14772	0.8
273.14868	1.3
275.16376	1.0
339.25284	1.6
349.21722	1.1
357.24173	0.5
367.18414	0.6
367.22549	3.0
385.23776	3.6
403.24869	1.1
441.26306	0.8
459.27420	9.8
491.30554	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
54.94162	2.2
55.01865	6.7
55.05513	28.8
57.03428	3.4
57.07070	2.6
65.03951	3.2
67.05199	3.2
67.05512	51.6
68.05794	3.1
69.03425	3.1
69.07069	15.6
69.49522	11.1
69.49925	5.2
71.04974	2.6
75.54285	2.1
79.05080	3.4
79.05495	38.6
81.03424	6.7
81.07064	44.2
83.04971	8.5
83.08620	23.9
85.02905	2.6
85.06531	3.1
91.05489	36.7
93.07045	34.5
95.04973	30.3
95.08620	28.8
96.54413	2.2
97.06527	8.6
97.10170	8.1
99.08076	2.7
105.07029	42.5
107.04940	10.4
107.08592	21.6
109.06505	8.8
109.10178	17.1
111.08085	7.6
117.07053	12.2
119.08582	30.5
121.06488	8.8
121.10158	17.1
123.08067	2.5
123.11712	2.9
125.09644	6.5
129.06999	5.0
131.08565	13.5
133.10132	23.8
135.08055	6.5
135.11678	18.3
137.09612	6.7
143.08571	5.7
144.08018	3.4
145.06470	3.9
145.10115	23.8
147.07974	3.5
147.11684	15.1
149.09642	22.0
149.13252	4.5
151.11145	4.6
155.08542	4.1
157.10110	4.6
159.11722	12.5
161.13248	6.2
163.11200	24.6
165.12741	4.0
169.10187	4.1
171.11668	6.4
173.09660	4.8
173.11728	2.3
173.13167	5.4
175.14752	3.1
177.12814	3.2
181.12186	3.1
183.11661	3.2
185.13162	3.9
189.11191	4.0
197.13263	3.8
205.12137	4.0
216.33600	2.2
223.13243	12.6
229.19463	4.6
239.17896	10.9
257.18924	12.3
275.20071	100.0
293.21106	30.4
367.17603	2.3
472.86319	2.6
473.32639	5.3
491.29721	12.9
491.37433	14.3
501.21161	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	491.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.2
53.03949	10.9
55.01875	22.5
55.05515	52.4
57.03441	12.9
59.05000	5.1
61.97280	2.7
63.41867	2.6
65.03947	4.3
67.05505	76.2
69.07069	19.8
71.04987	7.7
71.49139	3.4
73.06539	2.7
79.05499	100.0
79.37016	2.9
81.03422	58.6
81.07057	83.4
82.07349	3.0
83.01353	8.5
83.04983	35.5
83.08623	30.8
85.02908	17.0
85.06559	4.8
91.05482	87.8
93.07047	90.6
95.04971	41.4
95.08608	43.6
97.02890	5.9
97.06538	10.7
97.10162	10.0
97.22502	2.8
99.04458	4.7
105.04517	5.4
105.07034	63.0
107.04954	25.3
107.08595	42.1
109.02896	3.3
109.06517	13.7
109.10149	10.1
111.04457	7.3
111.08084	8.1
115.05472	5.2
117.07030	31.3
119.04970	3.1
119.08585	43.5
121.06514	12.2
121.10159	20.5
123.04416	3.1
123.08060	15.0
123.11706	8.5
125.09625	10.1
125.81909	2.4
128.06230	5.0
129.06987	22.9
130.07747	3.6
131.08554	15.9
133.10136	19.6
135.08037	5.0
135.11711	36.5
137.09618	3.6
139.07556	3.5
143.08521	9.8
145.06522	4.3
145.10130	39.1
147.04439	3.1
147.08052	8.7
147.11679	25.8
149.09653	8.7
153.12761	7.2
157.10129	9.6
159.08054	3.4
161.09560	4.8
161.13293	8.8
163.11186	56.0
165.39180	2.4
171.11702	13.2
173.09624	6.9
173.13312	3.6
175.11185	6.8
181.10109	3.1
181.12285	8.6
189.11221	5.9
189.12801	5.7
191.10654	6.2
193.12206	21.1
201.12727	2.9
207.13783	17.1
209.11713	22.9
211.13263	14.3
219.13699	4.0
227.12781	37.4
249.14777	3.7
267.15973	12.4
281.17490	18.1
399.25635	6.3
473.29111	25.4
491.25516	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54841	4.3
53.03648	4.8
53.03938	11.5
55.01876	25.1
55.05517	85.9
55.90401	4.0
57.03441	11.4
57.58181	3.8
59.04982	8.5
60.66175	4.3
65.03932	8.0
67.05514	84.1
67.05865	3.9
69.03427	12.3
69.07071	28.4
71.05003	22.4
79.05499	94.5
81.03410	28.0
81.07059	88.2
81.07524	5.1
83.04981	17.8
83.08627	46.5
83.43639	4.1
85.06559	8.5
91.05492	54.0
93.07056	83.1
95.04971	35.3
95.08618	36.4
97.02880	6.0
97.06532	12.4
97.10177	78.2
98.20830	12.2
99.04417	4.5
105.07040	42.3
107.04972	76.2
107.08603	64.1
109.02849	5.4
109.06535	36.2
109.10170	23.5
111.04414	8.1
111.08081	9.5
115.05468	10.0
117.07043	31.5
119.04948	5.0
119.08595	32.6
121.02881	4.5
121.06509	63.6
121.10162	29.5
123.04456	5.8
123.08107	11.2
123.11810	4.8
125.06016	5.4
125.09646	65.5
126.19408	4.2
128.06223	6.4
129.06995	19.7
131.04944	8.2
131.08578	48.7
131.93102	3.9
133.06499	9.4
133.10149	17.9
135.08070	22.9
135.11703	6.0
137.06003	4.5
137.09579	4.7
139.11238	4.7
141.06996	9.3
143.08546	10.0
145.06483	18.0
145.10158	24.3
147.04407	6.6
147.08096	10.1
147.11717	10.3
149.09631	14.9
153.09070	5.3
153.37605	4.0
155.08560	5.3
157.10063	6.5
159.08092	4.9
159.11722	6.5
161.09607	10.2
163.11212	25.2
165.09094	21.4
167.10754	7.9
169.10196	5.7
171.08051	9.2
171.10199	8.6
173.13292	13.0
185.09651	5.2
189.09474	6.6
189.11241	45.3
189.77330	3.9
191.10785	7.4
191.14349	13.4
193.12375	5.8
197.13377	5.6
199.13271	10.0
203.14351	5.9
209.11713	10.1
209.13515	5.0
211.11331	4.3
213.12753	4.6
215.14268	5.0
217.19315	4.5
219.13782	60.1
225.11186	5.6
227.12735	24.3
231.13914	4.5
233.15514	6.3
249.14903	9.8
263.12830	12.2
273.15012	11.3
275.16418	15.5
339.23199	9.3
349.21780	19.6
367.22684	45.2
371.21814	5.4
385.23773	52.1
389.23334	5.7
403.24802	7.9
407.24313	5.4
441.26495	7.1
445.25876	15.0
459.27463	100.0
463.26752	14.1
473.29211	12.8
491.25803	41.7
491.30157	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01875	2.2
53.03006	2.3
53.03948	10.8
55.01880	31.4
55.05516	47.4
57.03450	14.0
57.07080	4.5
57.30116	2.3
59.04996	7.1
65.03944	3.1
67.05511	41.7
69.07077	14.2
69.40665	2.3
71.01360	2.3
71.05001	10.0
74.74862	2.6
76.00321	1.9
79.05505	73.3
79.05975	3.7
81.03428	36.8
81.07066	49.0
82.70854	2.4
83.01360	22.1
83.04993	38.9
83.08627	25.2
85.02919	9.6
85.06573	3.0
91.05491	45.5
93.07056	79.1
95.04963	21.0
95.08627	19.6
97.02899	6.8
97.06544	15.5
97.10190	4.7
99.04487	6.5
103.05472	3.2
105.04600	3.7
105.07041	29.4
107.04966	23.3
107.08607	40.4
109.06536	20.5
111.04465	7.8
111.08112	5.8
115.05467	2.8
117.07054	22.8
119.08598	28.4
121.06530	10.5
121.10169	18.5
123.08087	24.0
125.05985	5.2
125.09690	6.5
129.06996	4.8
130.07825	7.1
131.08650	12.3
133.10179	4.9
135.08078	6.1
135.11699	41.3
139.07492	2.9
143.08627	3.2
144.08110	9.0
145.06520	3.0
145.10130	53.6
147.08057	7.1
147.11729	3.6
153.12741	13.5
155.08614	5.6
163.11205	90.0
163.12564	5.0
173.09682	12.7
181.12230	16.2
191.10695	8.0
209.11722	36.1
214.01295	2.5
227.12791	17.9
315.03955	2.7
352.07190	2.9
357.37576	2.3
491.26382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03933	10.3
55.01866	8.7
55.05513	36.0
57.03442	11.1
65.03943	2.6
67.05508	69.8
67.55875	3.0
69.03414	2.7
69.07079	16.4
70.74129	7.3
71.04980	7.8
79.05499	87.7
81.03422	59.3
81.07065	68.7
83.04993	17.3
83.08627	31.1
85.02905	17.9
85.06562	5.4
89.23129	2.3
91.05486	100.0
93.07047	67.0
95.04967	40.8
95.08610	34.2
97.02885	3.8
97.06529	6.7
97.10163	9.5
99.08077	3.2
103.05457	3.4
105.04514	5.1
105.07042	56.5
107.04969	12.1
107.08591	23.5
109.06520	13.4
109.10153	6.7
111.08062	10.0
115.05466	3.6
117.07007	16.2
119.04937	2.3
119.08603	41.1
121.06503	4.2
121.10153	11.3
123.08051	7.7
123.11708	7.4
125.09621	6.2
128.06255	3.3
129.07019	32.8
131.08609	16.2
133.10144	20.2
135.08005	3.0
137.09592	3.1
141.06960	2.6
143.08549	11.9
144.08070	9.0
145.10139	14.0
147.08046	4.4
147.11696	34.4
148.21404	2.6
149.09673	5.4
157.10164	11.5
161.09586	7.3
161.13274	10.8
163.11194	5.0
171.11658	24.1
175.11174	14.2
187.13350	4.9
187.50511	2.4
189.12741	10.8
193.12265	39.2
207.13808	27.7
211.13315	31.6
227.12816	7.1
243.15858	3.8
249.14920	4.0
267.15866	20.2
281.17551	18.6
359.64618	4.2
363.23318	3.0
381.24493	3.9
399.25381	4.9
417.26334	2.8
455.27557	3.0
473.28992	38.7
491.24628	5.5
491.30255	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	4.6
55.05507	8.3
57.03430	2.5
57.07076	0.9
59.05007	1.1
67.05499	9.3
69.03415	0.9
69.07063	2.4
69.15537	3.7
69.15959	3.6
69.45849	0.7
71.01342	0.7
71.04992	1.7
79.05492	15.5
79.73696	0.7
81.03416	4.7
81.07059	12.5
83.01340	3.2
83.04984	5.2
83.08612	3.8
85.02915	1.7
85.06524	0.9
91.05482	8.4
93.07047	17.2
95.04982	3.9
95.08609	10.1
97.02914	2.2
97.06529	3.0
97.10183	1.7
99.04472	1.5
103.05483	1.4
105.07045	6.0
107.04971	5.3
107.08598	12.0
109.06529	2.7
109.10150	1.1
111.04427	2.0
112.04818	0.7
115.05435	1.5
117.07025	10.9
119.08585	6.2
121.06535	2.4
121.10146	7.2
123.08053	2.5
125.09627	1.2
129.07043	1.2
131.08521	1.8
133.10081	1.5
135.08131	1.7
135.11699	12.4
143.07306	4.3
143.08463	1.4
144.08086	99.5
145.06477	1.2
145.08426	1.8
145.08971	0.8
145.10124	11.5
149.05949	0.7
151.76602	0.7
153.12733	1.8
155.06055	1.7
155.08534	0.9
156.08093	0.9
163.11185	23.0
164.07059	2.7
164.11395	0.8
169.07611	2.0
170.09612	1.2
171.09175	1.5
173.09637	1.5
181.12227	4.8
183.09264	1.1
184.09889	2.0
185.10835	2.2
188.07100	1.9
190.08633	0.8
191.10687	0.8
209.11696	3.4
221.17662	0.7
227.12784	27.4
234.11490	1.1
243.10547	0.8
244.11290	1.0
247.12340	6.6
248.13060	0.9
271.12283	2.2
273.13910	4.3
299.11737	1.7
301.13141	3.2
302.11679	1.0
307.14551	1.1
316.14603	4.2
331.14444	7.4
332.14120	1.4
333.15976	22.6
348.17050	9.4
389.39017	0.8
459.21347	1.0
491.24490	100.0
492.24872	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	489.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32558	3.2
55.05516	58.6
57.07082	71.5
61.58736	3.7
63.31010	2.7
67.05505	16.2
69.07074	100.0
71.08639	53.8
71.49512	5.7
72.60476	3.2
79.05497	13.5
81.03419	7.0
81.07076	27.6
83.08629	76.1
85.10186	36.4
91.05492	8.7
93.07058	14.3
95.04378	5.7
95.04977	76.7
95.08617	17.8
97.10175	65.6
105.07034	10.2
107.08618	13.3
109.06529	3.5
109.10151	10.8
111.11742	47.6
117.07013	3.8
119.08624	10.0
120.61121	3.3
121.10158	7.9
123.11779	5.2
125.09644	5.0
125.13280	17.4
129.07005	4.3
131.08516	6.1
133.10123	6.7
135.11671	6.1
139.14728	4.4
145.10172	13.7
147.11702	4.7
159.11629	7.0
163.11200	16.6
193.12204	3.8
205.12294	8.8
207.60281	3.0
223.13322	54.3
237.14893	4.0
397.71494	3.4
471.41885	7.1
489.36023	7.1
489.43002	19.3
490.42706	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	491.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24621	0.5
69.03429	0.7
69.07074	0.6
71.49485	0.8
79.05502	0.7
80.37733	0.6
81.03449	0.6
94.24804	0.5
95.05003	0.8
95.05760	0.5
95.66875	0.5
103.05474	0.8
105.07037	1.7
107.04995	0.8
109.11210	0.6
119.04949	0.5
120.08128	0.6
121.08917	0.7
122.09721	0.7
131.04933	1.2
132.08087	2.1
133.06525	3.7
137.06009	1.5
140.07103	0.9
147.04422	0.8
148.07611	2.1
148.62718	0.5
153.01773	1.2
162.15088	0.5
163.03937	1.6
163.07501	0.7
164.04254	0.9
167.07466	0.9
168.06540	0.7
174.07928	3.7
175.08618	1.1
188.09424	0.9
199.08690	1.4
200.09279	0.7
201.10217	3.8
205.04742	1.6
210.09190	0.6
211.08754	0.7
213.10361	1.7
214.10971	0.8
215.11830	5.0
216.12616	0.7
222.21118	0.6
225.10268	1.8
226.10992	1.0
227.08229	1.7
227.11816	4.6
228.12566	1.0
229.09769	3.9
229.13388	3.1
239.11758	3.7
241.09778	1.3
241.13387	0.9
242.10555	2.5
243.11325	3.1
244.12086	1.2
247.92395	0.5
253.13467	1.4
255.11266	4.1
257.12839	3.1
269.12775	3.0
270.13565	0.7
273.12439	1.7
281.12814	3.5
283.10782	0.9
287.13910	6.4
297.12341	3.1
298.13068	1.6
299.13919	27.0
300.14148	0.8
301.12051	1.0
315.13403	16.7
316.14206	64.2
317.14706	2.0
431.14551	2.5
438.60907	0.6
445.14819	1.2
463.17023	0.7
473.15076	0.9
491.16599	100.0
492.16989	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	4.7
55.05515	52.5
57.07075	66.7
67.05495	13.6
69.07072	100.0
69.17669	23.6
69.18102	14.2
71.08636	48.8
79.05486	10.4
81.03410	6.3
81.07059	21.0
83.08622	73.2
85.10196	26.1
91.05485	10.3
93.07036	11.3
93.90744	3.2
95.04971	73.9
95.08617	14.2
97.10169	66.1
105.07030	5.4
107.08604	10.2
109.10146	7.5
111.11737	42.4
119.08605	8.2
121.10158	8.7
123.08134	4.1
125.13277	13.3
125.24441	3.2
131.08562	6.1
135.21118	3.4
145.10132	11.6
163.11168	15.4
193.12096	4.3
205.12341	4.3
211.13226	6.6
223.13274	49.6
236.60448	4.9
293.17340	3.6
313.14145	4.3
345.51920	3.5
457.95438	4.2
471.41849	8.2
489.35925	4.7
489.42844	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.5
59.94115	5.1
67.05492	18.8
69.07061	15.0
69.38637	30.6
69.39056	10.5
79.05486	19.8
81.07059	47.8
82.95948	4.9
83.04985	10.1
83.08605	6.4
91.05463	20.5
93.07037	33.6
95.04942	11.0
95.08611	76.6
105.07045	48.9
107.04986	7.9
107.08587	57.4
109.10168	38.6
117.07018	6.9
119.08584	65.6
120.41516	6.1
121.10137	43.5
123.08077	7.0
123.11696	14.4
125.09548	5.7
131.08589	31.2
133.09431	4.5
133.10147	47.8
135.11693	21.1
145.10141	60.3
147.11700	40.9
149.13261	30.7
153.01801	5.4
157.10138	12.5
159.11690	33.6
161.09581	14.7
161.13266	24.5
163.03899	13.5
163.14819	21.5
165.09142	8.2
167.07031	17.7
171.11722	8.5
173.13293	46.5
175.14844	26.7
177.12805	8.1
177.16336	37.2
181.05028	7.2
185.13239	10.8
187.14792	62.6
189.12746	8.1
189.16389	25.4
191.14310	18.9
191.17958	8.3
199.14819	14.9
201.16380	12.7
203.14334	22.2
203.17963	76.6
205.15916	100.0
205.19643	7.2
213.16348	12.5
215.17990	5.7
217.15886	8.9
219.17374	5.9
221.15329	8.6
223.17007	8.5
227.17873	8.2
229.19612	5.6
231.17337	9.9
231.80737	5.8
249.18452	18.0
379.33472	6.6
395.33307	6.4
407.32971	24.4
423.33032	6.4
425.34189	27.5
435.32715	12.3
441.33511	11.6
453.33838	25.9
489.31775	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
53.03940	3.0
55.01879	1.9
55.05241	0.9
55.05513	15.7
57.03432	2.9
57.07070	2.1
59.04997	3.2
61.23703	0.9
64.44643	0.8
65.03952	4.6
67.05505	100.0
69.03430	1.4
69.07066	11.2
71.05000	4.2
71.49104	0.9
77.03958	0.9
79.05493	34.0
80.39303	0.9
81.03419	2.7
81.07055	39.7
83.04996	3.1
83.08621	10.5
85.06541	3.3
91.05479	27.7
93.07045	34.4
95.04981	4.3
95.07999	1.5
95.08607	27.7
97.06540	2.5
97.10184	3.5
103.05489	1.3
105.04515	2.0
105.07034	17.4
107.04969	2.0
107.08592	19.1
109.06495	2.0
109.10156	57.8
111.08101	3.7
117.07008	7.0
119.08583	17.8
121.06470	1.1
121.10140	17.2
121.95741	1.0
123.08058	1.4
123.11730	1.6
125.09656	1.3
129.07027	2.9
130.61578	0.9
131.08554	9.5
133.10118	11.0
135.08057	1.7
135.11691	7.7
137.09602	4.1
143.08603	3.3
145.10126	9.8
147.11694	6.5
149.13263	4.8
151.11105	1.0
155.10634	4.7
157.10172	2.7
159.11708	6.8
161.13297	3.8
163.11273	1.4
163.14847	1.3
167.06868	1.0
169.10144	1.7
171.11694	2.3
173.11774	15.7
173.13307	3.9
175.14874	2.1
185.13312	1.6
187.14880	3.1
194.95175	0.8
197.13368	2.0
199.14885	1.2
201.16408	1.1
203.17950	0.9
211.14870	1.4
239.76936	1.0
257.19043	1.0
261.22250	2.9
275.20386	1.2
291.19745	1.2
379.30173	2.4
397.31158	3.1
422.95758	0.9
471.34982	3.1
489.35886	63.6
490.36121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03938	4.6
55.01892	1.8
55.05518	24.3
57.03441	6.5
57.07063	2.6
57.52523	1.4
59.05000	2.5
65.03933	1.7
67.05509	73.1
69.03430	1.9
69.07077	15.8
69.24322	12.7
71.04989	4.0
79.05497	31.9
81.07057	39.3
83.08614	9.3
85.06537	4.5
91.05483	27.5
93.07050	38.3
95.04977	2.3
95.08616	28.8
97.06532	3.0
97.10183	4.4
104.67274	1.3
105.07038	26.0
107.08601	20.8
109.06530	1.8
109.10167	40.3
111.08081	4.0
117.06998	10.0
119.08593	29.0
121.10164	16.1
123.08125	1.6
123.11694	1.8
125.09627	1.8
128.06201	1.5
129.07011	5.3
131.08582	15.9
133.10130	18.4
135.11707	11.4
137.09651	2.7
141.06970	1.8
143.08582	7.9
145.10141	16.4
145.11160	1.7
147.11690	13.1
149.13269	5.9
155.08640	3.3
155.10718	4.3
157.10170	6.3
159.11714	12.3
159.89905	1.5
161.13322	7.5
163.14922	1.5
169.10213	2.9
171.11720	6.2
173.11789	11.0
173.13330	7.3
175.14873	2.7
183.11725	5.7
185.13312	5.5
187.14882	5.0
197.13341	4.7
199.14908	3.8
211.14958	1.9
213.14828	2.1
225.16431	2.3
239.17882	2.0
255.21350	1.4
259.20831	2.6
261.22217	4.6
285.22412	2.1
303.57108	1.5
337.08545	1.5
379.30127	9.4
391.28442	1.6
397.31097	15.3
415.32251	4.7
453.33517	2.2
471.34860	11.5
489.35880	100.0
490.36166	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	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.60796	1.2
54.23753	1.0
55.05505	4.1
57.03439	1.6
57.07077	1.5
59.48064	1.4
67.05508	9.7
69.07082	6.3
69.41855	1.0
70.62271	2.7
79.05492	8.1
81.07053	12.0
83.08615	5.5
91.05492	7.0
93.07041	12.1
94.42078	1.3
95.04966	2.0
95.08616	19.0
97.10167	1.3
105.07034	14.0
107.04962	2.0
107.08585	14.1
109.06508	2.2
109.10164	8.7
117.07050	2.8
119.07819	1.5
119.08600	15.2
121.06500	2.6
121.10143	13.6
123.08086	4.7
123.11745	3.0
125.09592	1.3
129.07021	2.6
131.08580	7.0
133.10120	13.4
135.08076	2.7
135.11711	7.2
137.13251	1.4
143.08560	2.3
145.10139	11.1
147.11681	11.4
149.09595	2.1
149.13271	7.8
151.11186	2.0
157.10132	2.1
159.11674	8.8
161.13264	4.5
163.03854	1.8
163.11211	3.4
163.14825	6.1
171.11693	2.4
173.13289	3.6
175.14830	4.8
177.16373	5.9
185.13295	2.9
187.14819	11.8
189.16374	4.1
191.10767	1.4
199.14876	1.4
201.16374	17.5
203.14453	1.6
203.17990	4.8
205.15910	20.5
213.16447	1.6
215.17862	2.0
219.17461	3.2
223.16995	5.0
225.16272	1.3
241.19635	1.6
247.17032	5.0
249.18257	1.4
255.21082	4.3
257.22522	2.3
261.22122	1.3
267.59750	1.3
269.18613	1.5
269.22775	1.7
275.20215	1.5
303.22888	1.5
344.75906	1.2
347.25739	5.8
373.27338	6.1
385.78275	1.2
407.33011	5.1
425.34387	6.8
435.31992	2.4
443.35229	100.0
444.35577	4.1
453.33438	4.1
471.34723	1.8
489.36102	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	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05508	18.9
67.05502	33.0
69.07059	11.7
69.49955	37.6
69.50365	13.1
77.48650	7.8
79.05495	46.1
81.07056	34.9
83.08627	16.1
91.05493	36.0
93.07043	45.5
95.04961	10.8
95.08608	56.1
97.10158	7.3
105.07012	49.2
107.04920	8.6
107.08602	62.2
109.06557	9.1
109.10139	27.3
109.41213	6.9
111.08073	12.4
117.07015	18.9
119.08580	66.2
121.10153	43.1
123.08090	7.9
123.11713	8.0
125.09717	7.0
129.07018	8.5
129.46724	6.8
131.08540	32.3
133.10139	55.4
135.07993	7.4
135.11694	21.1
143.08600	8.1
145.10109	66.6
147.11681	36.5
149.53055	7.8
157.10144	14.8
159.11713	45.5
161.13264	26.7
163.11150	26.8
163.14832	11.3
171.11691	21.8
173.13252	24.0
175.14804	24.4
177.16371	14.8
185.13271	8.1
187.14780	51.8
189.16399	42.4
201.16403	79.3
203.17990	19.4
205.15900	100.0
207.17516	12.3
215.14235	9.4
217.12227	12.9
219.17436	16.3
223.17078	16.2
227.18198	7.9
247.17058	8.0
272.16617	8.3
407.33090	53.4
425.34219	53.1
435.32916	8.9
453.33542	21.0
489.32437	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	489.3579
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03934	19.7
55.01860	7.8
55.05516	34.2
57.03442	8.7
67.05513	71.7
69.03427	6.6
69.07076	24.7
70.01624	19.9
79.05505	100.0
81.03412	12.4
81.06672	5.8
81.07072	77.0
83.04976	18.1
83.08624	19.4
85.06524	6.5
86.72427	4.7
91.05490	75.9
93.07057	97.1
95.04964	24.6
95.08620	82.8
97.02890	5.8
97.06543	14.0
97.10167	10.4
98.21426	6.8
99.08079	5.7
105.07030	73.4
107.04961	14.3
107.08611	63.1
109.06535	12.7
109.10152	22.4
111.08016	5.8
117.07008	17.9
119.08582	69.5
121.06502	14.9
121.10158	39.0
123.08042	11.1
123.11685	9.1
129.07024	18.2
131.08566	34.8
133.10164	29.4
135.11707	49.9
143.08548	16.0
145.10156	63.4
146.88739	5.8
147.11707	47.5
149.13258	14.5
157.10147	11.3
159.11687	24.2
161.09601	10.9
161.13242	24.4
163.11214	62.9
163.14807	13.9
169.10019	5.2
171.11693	23.0
173.13229	29.8
175.14828	23.5
177.16382	23.6
181.12201	7.6
185.13287	5.9
187.14888	30.3
189.12782	12.9
189.16414	23.3
191.14246	12.2
191.17961	10.8
193.66257	5.6
199.14838	10.2
201.16435	18.3
203.14293	9.2
203.17992	55.5
205.15901	52.2
205.19434	7.9
207.13783	23.6
209.11658	7.1
213.16367	11.6
219.17473	6.2
221.15428	12.6
227.12805	72.3
395.33383	5.5
407.33020	23.7
425.34085	16.8
435.32932	6.7
453.33575	21.4
489.28397	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38604	2.6
55.01865	3.8
55.05513	38.1
57.07078	4.6
57.92572	2.5
64.45275	2.9
65.03916	2.5
67.05504	52.8
68.29626	3.0
69.03455	2.6
69.07070	29.6
69.22388	2.6
69.22725	28.9
71.05003	3.7
79.05494	38.1
81.07061	67.7
83.04979	5.0
83.08627	27.6
84.37667	2.7
85.06548	5.3
91.05474	37.2
93.07053	38.7
95.04966	10.4
95.08610	65.1
97.06522	11.1
97.10155	9.0
98.21553	6.1
103.26943	2.8
105.07039	37.3
107.08617	22.5
109.06517	5.5
109.10172	22.9
111.08101	6.9
113.09658	3.7
117.07011	10.6
119.08579	45.9
121.10159	18.7
123.08074	7.2
123.11739	3.2
125.09623	5.5
129.07007	5.9
131.08563	16.1
133.10144	31.2
135.08078	5.1
135.11661	16.0
137.09616	5.4
137.13283	7.7
143.08542	4.4
145.10109	13.6
147.11690	8.9
149.09631	10.0
149.13287	4.7
151.11140	4.1
157.10179	4.7
159.11705	11.9
161.13268	27.6
163.11180	10.8
171.11693	5.5
173.13300	3.6
177.12683	3.5
179.14323	11.3
182.42886	3.5
213.76932	2.9
223.13210	4.3
226.36075	2.8
229.80528	3.0
239.17928	11.9
257.19037	11.3
275.20074	100.0
293.21103	14.8
303.34537	3.2
305.21222	3.0
453.33676	6.7
471.34720	9.6
489.35782	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	489.3576
Annotation	Sodwanone D
Peak:m/z	Relative Intensity
55.05513	15.0
67.05499	32.2
69.07061	12.5
79.05489	26.8
81.07046	58.8
81.54841	7.3
83.08620	10.3
91.05486	31.7
93.07048	37.1
95.08615	100.0
98.21519	29.9
105.07039	72.3
106.54353	7.6
107.08614	66.1
109.06468	9.6
109.10172	33.1
117.07005	17.5
119.08588	66.4
121.10135	50.2
123.08099	7.7
123.11774	10.3
131.08580	65.7
133.10121	49.3
135.08026	9.6
135.11681	27.2
137.09531	7.6
139.51848	7.7
145.10107	58.1
147.04410	48.4
147.11696	38.2
149.09653	9.7
149.13280	22.1
156.18594	8.2
159.11728	46.7
159.44962	7.4
161.13278	26.9
163.14816	19.5
165.05411	15.0
173.13315	61.5
175.14806	53.0
177.12865	14.0
177.16388	63.6
185.13234	10.3
187.14870	62.1
189.16356	28.7
191.14297	63.8
191.17905	13.8
199.14713	18.0
203.14273	46.4
203.17964	71.0
205.15898	81.5
221.15373	35.1
229.15923	10.9
231.21198	10.0
249.18614	21.6
264.76755	9.2
293.43521	8.1
297.04285	8.5
305.15607	8.1
379.33582	12.2
389.32181	9.7
395.33286	14.0
407.33084	54.5
425.34006	30.3
435.32315	10.9
453.33597	21.6
489.34476	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	489.3579
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.24130	1.0
54.39067	1.3
55.05508	4.1
57.07089	1.2
67.05502	8.6
69.07070	3.8
70.49503	3.5
79.05502	6.4
81.03429	1.5
81.07051	11.9
83.05004	1.3
83.08620	3.7
91.05467	5.6
93.07037	10.1
95.04950	1.6
95.08611	12.0
97.06537	1.2
97.10175	1.5
104.76631	1.1
105.07027	7.7
107.04890	1.3
107.08595	13.2
109.06517	2.2
109.10151	10.1
117.07022	2.3
119.08602	6.2
121.10159	13.5
123.08101	2.5
123.11743	2.5
131.08569	4.9
133.10153	8.6
135.08070	2.2
135.11647	5.5
138.97949	1.2
143.08542	1.4
145.10115	10.8
147.08052	1.2
147.11696	10.9
149.13266	5.8
159.11737	5.4
161.13300	4.2
163.03952	1.5
163.11143	2.1
163.14815	6.2
171.11699	2.6
173.13251	2.5
175.14856	3.0
177.16441	7.5
185.13220	1.7
187.14819	17.6
201.16417	5.7
205.15880	43.7
215.17920	2.8
219.17392	1.7
223.16956	3.7
241.19711	1.3
255.21103	1.8
269.22614	2.0
353.36105	1.2
407.33398	1.5
425.34439	6.0
443.35220	100.0
444.35464	3.4
463.01041	1.4
478.61523	1.2
489.32169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85224	2.2
53.03939	6.8
55.01877	22.8
55.05269	3.2
55.05513	40.5
57.03421	7.8
57.07083	3.6
59.04994	2.4
62.18058	2.5
65.03936	4.9
67.05506	94.8
69.07071	36.8
71.04993	4.1
71.50246	3.9
79.05501	55.2
81.03409	4.7
81.07060	100.0
83.04967	10.3
83.08633	18.1
85.06541	4.0
87.04481	2.7
91.05488	59.5
93.06490	3.7
93.07050	59.9
95.04957	7.9
95.08609	69.6
97.06534	44.3
97.10168	8.1
99.08066	6.4
103.05450	2.7
105.07037	70.4
107.04970	12.6
107.08595	31.1
109.06499	7.1
109.10162	41.8
111.08084	7.1
117.07029	17.2
119.08590	54.4
120.14585	2.2
121.06561	5.0
121.10143	20.0
123.08069	8.5
123.11710	4.2
125.09609	6.8
129.06982	6.1
131.08582	23.4
133.10135	46.1
135.08052	7.1
135.11702	19.5
137.09598	5.1
137.13245	7.2
143.08586	5.0
145.10136	17.4
147.11719	17.0
149.09608	9.2
149.13219	6.6
155.10722	4.7
157.10081	5.7
159.11664	14.5
161.13258	34.3
163.11166	3.6
163.14806	2.8
165.09198	3.2
165.12843	2.9
169.10069	3.4
171.11671	6.5
173.11713	8.1
173.13251	10.6
175.14850	3.8
179.14296	17.7
185.13293	4.0
187.11169	4.4
187.14825	3.2
189.11099	3.5
189.12740	2.6
195.14009	2.6
199.14680	3.0
201.16142	3.2
215.18013	2.8
219.17451	10.2
239.17989	3.0
247.20515	3.8
257.19019	11.6
275.20068	78.6
293.21112	7.2
379.29938	4.7
397.31104	5.3
435.56836	2.4
439.80005	3.0
453.33313	5.9
471.34747	14.8
489.35831	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	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36792	1.1
53.03954	5.3
55.01865	3.0
55.05516	22.8
57.03447	5.4
57.07065	1.2
59.04997	2.9
64.73418	1.1
65.03946	4.7
66.10463	1.1
67.05510	100.0
69.03442	1.6
69.07073	14.7
71.04987	4.1
71.49104	1.1
72.51434	1.2
76.36755	1.0
79.05499	40.7
81.03432	1.4
81.07062	46.9
83.04987	2.5
83.08630	11.4
84.67717	1.0
85.06555	3.0
91.05486	30.2
93.07050	47.5
95.04957	5.4
95.08614	31.6
97.06538	4.2
97.10162	6.8
99.08125	1.4
103.05517	1.2
105.04551	1.6
105.06329	1.7
105.07036	25.2
105.07703	1.8
107.04942	1.0
107.08599	24.3
109.06567	2.0
109.10166	61.5
111.08112	4.4
117.07034	10.2
119.08589	30.1
121.10155	17.9
121.10950	1.7
123.08081	2.9
123.11736	2.9
125.09650	3.2
129.07034	4.6
131.08591	18.9
133.10130	18.5
135.11691	11.2
137.09641	3.9
139.11250	4.1
141.07010	1.8
143.08563	5.7
145.10138	16.4
146.17029	1.1
147.11693	12.6
149.09602	1.4
149.13306	6.0
155.08594	2.5
155.10645	5.7
157.10156	5.4
159.11717	12.0
161.09630	1.4
161.13271	7.0
163.11150	1.4
163.14856	2.6
169.10202	4.0
171.11690	5.0
173.11787	16.1
173.13316	8.9
174.54929	1.1
175.11169	1.2
175.14905	2.0
181.10188	1.7
183.11760	2.9
185.13326	4.5
187.14919	3.5
193.12347	1.4
197.13318	3.3
199.14958	2.5
201.16440	2.5
203.14294	1.1
208.76010	1.1
211.14931	2.4
213.14810	1.6
213.16583	1.4
217.15843	1.3
225.16455	1.3
229.14508	1.7
241.19629	1.1
243.21257	2.5
245.19144	1.8
257.18933	1.5
261.22211	5.1
265.81329	1.0
271.20670	1.8
285.22180	2.1
291.19629	1.3
299.23666	1.8
363.25671	1.4
379.26184	1.0
379.30219	8.1
391.28448	2.2
397.31186	10.9
415.32346	3.8
433.33511	1.5
443.64984	1.2
471.35168	8.4
489.35938	99.9
490.36316	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	489.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30210	2.6
51.02364	2.2
53.03948	11.8
55.01872	14.1
55.05271	2.8
55.05513	29.9
57.03427	6.9
65.03945	6.4
65.94837	2.2
67.05505	71.5
69.03419	6.7
69.07070	13.5
70.06200	7.6
71.04980	9.1
76.67154	2.3
79.05497	100.0
81.03414	23.3
81.07056	72.6
83.01331	8.5
83.04983	25.6
83.08613	13.6
83.36311	2.4
85.02906	6.0
85.06545	2.9
91.05485	85.4
93.07047	87.7
95.04968	34.7
95.08614	43.7
97.02911	5.6
97.06535	10.2
97.10194	6.0
99.04458	4.6
100.85452	2.2
103.05479	2.7
105.04514	4.3
105.07038	54.2
107.04967	20.2
107.08595	40.3
109.06511	15.9
109.10152	10.0
111.04441	6.7
111.08091	6.2
113.06020	4.6
115.05442	6.1
117.07028	23.1
119.08582	43.2
121.06505	8.9
121.10150	16.9
123.08073	15.5
125.09632	3.9
128.06256	5.2
129.06996	21.1
131.08580	13.9
133.06451	2.5
133.10135	16.6
135.04375	2.6
135.08075	9.0
135.11685	17.0
137.09596	5.1
139.11159	2.7
143.08563	13.4
144.08069	5.2
145.10156	33.0
147.08040	6.0
147.11710	43.0
149.09660	4.5
149.13263	3.3
153.01866	3.5
153.12794	4.3
155.08557	2.6
157.10133	5.4
159.07988	2.6
159.11705	7.1
161.09607	7.3
161.13289	20.2
163.03938	6.1
163.11168	28.3
165.09160	2.6
171.11688	31.9
173.09676	3.6
173.13261	4.7
175.14807	4.7
181.12193	3.3
185.13234	2.5
187.14809	4.0
189.12756	16.7
191.10727	5.3
197.13333	2.8
199.14803	2.5
205.16002	2.7
207.11871	4.5
207.13795	34.6
209.11746	11.0
216.03806	2.3
217.15775	3.0
225.14835	4.4
227.12753	6.4
229.12080	2.4
231.13722	2.8
265.14313	3.8
281.17673	4.2
331.41058	2.2
376.17850	2.1
417.27634	2.5
423.28683	2.6
429.29871	4.6
435.28989	3.3
453.30035	2.6
467.21906	2.3
471.26398	3.1
471.31754	4.5
489.27676	62.6
490.28412	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	489.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74194	1.6
53.03946	11.6
55.01876	12.3
55.05512	36.3
57.03417	8.2
59.04991	4.5
65.03947	4.3
66.93929	1.7
67.05507	67.1
67.58746	1.8
69.03430	3.1
69.07066	14.6
71.01334	2.1
71.04984	7.0
79.05497	100.0
81.03419	21.0
81.07059	58.7
83.01328	6.3
83.04982	28.7
83.08622	16.0
85.02914	3.3
91.05486	74.1
93.07050	88.5
95.04967	26.0
95.08001	2.2
95.08604	37.0
97.02924	3.1
97.06541	10.3
97.10159	5.2
105.04486	5.1
105.07036	56.9
107.04967	21.5
107.08600	29.2
109.06530	11.4
109.10154	5.8
111.04455	2.4
111.08070	3.5
115.05424	3.3
117.07021	19.4
119.04949	3.1
119.08577	37.6
121.06503	8.8
121.10144	17.8
123.04327	1.8
123.08060	13.3
123.11722	1.8
125.09591	3.7
128.06206	6.0
129.07008	18.2
130.07777	3.4
131.08578	12.4
133.04565	1.8
133.06508	2.7
133.10153	14.5
135.08080	3.3
135.11684	15.1
137.09673	2.0
139.11179	2.1
143.08539	10.5
145.10126	32.1
147.04375	2.2
147.08090	4.5
147.11696	41.7
149.09627	2.2
153.12798	4.0
159.11687	6.2
161.09612	4.2
161.13257	14.8
163.11182	31.8
165.09189	2.6
171.11690	25.7
173.09631	3.3
175.14848	3.5
181.12183	3.0
187.14819	7.3
189.12720	8.9
189.16217	2.2
191.10747	3.0
201.16470	10.0
205.15903	9.3
207.13803	33.5
209.11748	10.0
213.16412	2.9
219.17497	3.2
225.14743	2.1
227.12830	4.8
249.14702	2.7
351.51715	1.9
394.49191	2.1
407.33124	5.1
471.27063	3.9
489.21793	3.5
489.28439	65.2
490.28812	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	489.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99778	0.8
54.52319	0.9
57.03437	0.9
61.02927	1.2
63.02375	1.2
65.03927	1.6
67.05521	1.5
69.03414	4.1
71.49120	1.4
73.02936	1.1
79.01840	2.9
79.05479	3.3
81.03437	1.8
83.04982	2.5
85.02910	10.8
89.03941	6.9
91.05483	8.0
92.92697	0.8
94.04182	3.7
95.04964	5.3
97.02890	4.8
103.05463	6.2
105.03461	1.2
105.07042	5.4
106.66702	0.8
107.04940	3.5
109.02850	1.8
109.06483	1.8
111.04443	2.0
115.05453	1.0
117.03389	7.3
117.07006	1.2
119.04943	9.3
122.03670	4.6
125.02346	1.2
127.03897	3.0
129.07018	1.3
131.04936	15.8
133.06473	3.8
135.04424	11.0
137.05984	100.0
143.03442	2.6
145.02878	9.1
145.05052	1.3
145.06479	5.1
147.04419	33.0
149.05968	4.1
151.03925	1.6
151.07568	2.3
153.01845	38.8
153.02931	2.6
155.04942	1.3
157.06470	1.4
161.05995	25.9
162.06718	2.4
163.03915	69.2
163.07570	8.0
164.04245	1.7
165.07039	1.2
171.02925	1.4
173.05995	12.1
177.05496	1.7
178.07719	1.1
179.07033	0.9
185.05916	4.2
190.07793	1.4
191.06946	1.1
191.08553	4.6
202.07732	2.7
203.06941	1.4
203.08588	5.5
209.02902	1.0
219.08063	6.7
220.08897	0.9
221.09694	1.1
231.08066	4.7
235.07526	0.9
237.09077	1.8
247.07498	2.7
248.08417	1.5
249.09152	3.0
251.10625	2.5
259.07599	2.7
265.08545	3.0
269.11670	1.3
277.08615	9.8
279.10214	3.5
288.19553	0.9
291.10208	1.5
296.14139	0.9
297.11191	21.2
309.06067	15.4
309.11246	9.0
318.02957	1.0
319.08173	3.7
327.11954	1.1
489.10089	3.3
489.17859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	1.7
55.05499	0.3
57.03438	2.7
58.46009	0.2
59.04992	0.6
61.02929	5.0
65.03941	0.3
67.05504	1.3
69.03431	14.0
69.07063	0.3
70.06620	0.2
71.04997	1.4
73.02932	1.9
79.05491	1.9
81.02941	0.3
81.03417	5.6
81.07050	1.0
83.01332	0.6
83.04969	0.5
85.02905	24.9
87.04475	2.2
91.03947	1.3
91.05476	1.4
93.07039	0.8
95.04977	2.5
97.02892	10.8
97.06534	0.4
98.20764	0.8
99.04469	2.1
101.02380	0.4
103.05466	1.7
105.04515	0.3
105.07018	1.1
106.06529	0.3
107.04977	1.0
108.08089	0.4
109.02889	3.1
109.06520	0.8
115.03923	0.4
115.05442	1.0
117.05777	1.1
117.07030	2.1
118.06561	0.9
119.08604	0.3
121.06533	1.1
123.04430	1.0
125.02312	0.4
125.05959	0.2
127.03923	4.9
128.04959	0.4
128.06226	0.3
129.06995	1.5
130.06531	14.3
131.04929	1.4
131.07330	1.9
132.08073	2.1
133.06454	0.7
135.04417	0.9
139.03897	0.8
142.06541	0.4
143.07300	6.4
143.08411	0.4
144.08084	100.0
145.04951	3.7
145.06429	0.6
145.08415	1.0
146.06004	0.5
149.05984	1.0
151.03905	6.5
153.05481	0.7
154.06520	0.8
155.06079	0.4
155.07280	1.8
155.08498	0.4
156.08089	6.5
157.08865	1.9
158.05986	0.7
158.09656	9.0
159.04440	1.0
163.03873	0.4
165.06982	0.7
167.07320	5.7
167.08659	0.5
168.08096	12.7
169.04924	0.4
169.08864	2.7
170.06039	0.5
170.09637	2.6
172.07608	0.6
177.05435	2.3
180.08081	5.6
181.08849	1.8
182.08041	0.6
182.09660	11.7
183.06792	0.3
183.10344	0.4
184.07573	1.6
184.11220	1.2
186.09077	1.1
191.07309	0.7
192.08066	2.0
193.08881	1.7
194.09669	5.1
195.06659	0.4
195.10428	1.1
196.07576	0.9
196.11241	1.2
197.08385	1.8
198.09093	0.4
200.07076	0.5
204.08032	1.2
205.08922	1.2
206.09669	2.0
207.10408	0.9
208.07562	1.1
208.11211	1.9
209.08199	0.3
210.09148	7.7
210.12721	0.9
211.06201	0.4
211.09793	0.6
212.07117	0.9
212.08817	0.5
212.10695	6.0
217.08891	1.0
218.09688	2.4
219.10457	1.4
220.07625	1.0
220.11168	3.2
221.08366	0.3
221.12007	1.0
222.09117	1.2
222.12787	0.8
223.09909	0.3
224.07013	1.4
224.10573	0.4
224.14316	0.3
225.07674	0.3
226.08672	1.5
226.12279	0.6
230.09607	0.4
231.10361	0.7
232.11224	0.7
233.08267	0.6
234.09062	0.6
234.12753	4.2
235.09833	0.3
235.13445	0.6
236.07172	0.3
236.10718	1.2
236.14267	2.3
238.08623	8.9
238.12312	0.6
239.09375	0.9
240.10144	1.8
244.11200	2.1
246.09151	0.8
246.12744	1.1
247.09914	1.4
248.10664	0.5
252.10249	0.5
252.13777	0.5
254.08133	0.3
256.09686	0.6
260.10611	0.6
262.12280	5.7
264.13824	10.9
266.11865	0.4
272.10730	0.8
275.09250	0.4
278.11761	0.7
280.10928	0.2
280.13321	8.9
282.14893	9.7
290.11758	8.6
308.12808	39.3
309.13147	0.6
326.13870	31.1
327.14255	0.6
356.24966	0.3
455.30435	0.2
463.44174	0.2
470.17975	0.7
488.19110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05513	17.6
65.03952	3.9
67.05497	27.0
69.07046	19.0
71.05001	3.8
79.05510	27.6
81.07062	42.0
83.08624	9.9
87.78058	3.9
91.05491	31.5
93.07054	41.1
95.04980	11.9
95.08612	74.4
96.05357	4.5
97.06576	8.1
97.10207	8.2
105.07052	51.6
107.04996	5.5
107.08600	63.3
109.06495	7.8
109.10168	37.8
117.07024	10.2
119.08591	100.0
121.06504	10.4
121.10136	52.4
123.08068	14.9
123.11700	10.7
125.09588	4.6
129.07033	7.0
130.07787	4.2
131.08575	30.0
133.10136	64.1
135.08087	9.8
135.11720	18.3
137.09631	5.2
142.07800	4.6
142.69101	3.6
143.08571	22.0
145.10121	46.9
147.08006	4.5
147.11700	38.7
149.09618	19.2
149.13274	20.7
151.11145	4.7
157.10158	19.2
158.10957	4.4
159.08040	5.0
159.11720	43.8
161.09634	8.6
161.13287	22.5
163.11182	8.6
163.14861	13.5
164.72583	4.4
165.09131	10.5
171.11699	17.6
173.13280	33.9
175.11282	4.8
175.14842	40.3
177.09206	6.6
177.12849	4.7
177.16406	13.3
179.77698	3.5
183.11703	5.4
185.13313	12.1
187.14818	67.1
189.12740	6.6
189.16389	48.9
191.14346	10.0
191.17947	10.0
197.13248	6.3
199.14859	34.4
201.16396	39.1
201.48894	4.3
203.14267	10.9
203.16328	4.5
203.17981	26.2
205.12192	5.4
205.15936	6.2
213.16447	11.8
215.14384	4.1
215.18048	13.9
217.15889	37.1
219.13901	4.0
221.15443	8.9
225.16383	6.6
229.15906	7.2
229.19478	6.7
231.17424	11.4
235.16875	38.9
241.19514	5.2
247.16939	22.1
249.18605	8.7
251.16399	5.5
261.18616	11.2
267.21280	5.4
293.21143	4.0
295.49982	3.8
327.23102	7.9
378.34052	4.3
387.30499	5.8
405.31604	23.7
423.32645	29.4
433.31064	6.2
441.33612	34.0
451.31961	16.0
469.33130	9.4
487.34976	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	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.9
55.05503	15.8
57.03420	4.4
67.05503	24.3
69.07050	21.9
79.05480	23.3
81.03432	6.2
81.07067	45.9
83.04993	10.1
83.08619	14.9
91.05476	32.8
93.07048	38.6
95.04970	9.3
95.08613	70.4
97.06539	12.3
98.21626	6.9
105.07034	58.6
107.08595	62.1
108.06907	5.3
109.06514	6.9
109.10149	39.8
109.80479	3.5
115.05437	5.1
117.07023	14.8
119.08585	100.0
121.06506	12.4
121.10136	41.9
123.04454	4.7
123.08057	11.4
123.11626	8.2
125.09650	7.6
129.07008	6.9
130.07788	5.0
131.08588	50.5
133.10141	68.9
135.08101	11.0
135.11702	21.9
135.67152	3.7
137.09645	4.7
139.07410	3.7
143.08559	17.0
144.09268	3.7
145.06567	3.7
145.10124	55.1
147.11688	34.3
149.09663	8.4
149.13258	12.2
155.08588	7.7
156.09416	4.6
157.10136	23.8
159.11690	46.7
161.09680	8.7
161.13219	18.9
163.11182	9.4
163.14830	31.5
169.10213	4.7
171.08038	5.5
171.11716	13.1
173.13283	48.3
175.11261	5.9
175.14807	48.7
177.09189	5.1
177.16385	22.5
183.11687	7.0
185.13298	19.9
187.14816	76.8
189.12831	6.1
189.16367	38.3
191.14308	71.3
191.17982	17.4
193.12344	4.7
197.13379	5.8
199.14813	20.6
201.12967	4.5
201.16383	49.1
203.14331	45.4
203.17986	10.7
205.15887	54.8
211.14842	6.0
213.16374	7.8
215.17931	6.0
217.15866	17.3
219.17332	8.7
221.15349	12.5
223.16922	9.1
227.17906	4.1
229.15938	5.4
229.30190	4.5
231.17496	6.6
235.16849	26.7
239.17986	5.0
245.15184	4.6
247.16949	14.3
249.14886	12.9
253.19337	6.1
255.20963	4.2
369.92108	3.8
395.71957	3.9
405.26703	7.4
405.31534	25.1
421.31418	5.0
423.32645	19.4
441.33820	55.4
451.31906	17.9
459.34698	59.9
487.35117	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3423
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05513	17.4
55.59717	3.4
67.05510	19.9
69.07058	12.5
70.33241	2.9
70.68676	8.2
70.69016	3.5
79.05499	18.8
81.07068	42.9
83.04979	8.1
83.08613	8.5
91.05490	26.4
93.07046	46.7
95.08615	59.1
97.06528	12.1
99.08102	13.1
99.48656	3.0
105.07050	75.0
106.56856	3.4
107.08611	77.3
108.53587	3.2
109.06499	5.3
109.10166	33.3
111.08147	3.3
117.07005	12.0
119.08596	100.0
121.06513	4.8
121.10160	44.1
123.08063	9.4
123.11708	13.7
125.09630	5.8
129.07039	3.9
131.08589	53.0
133.10152	50.4
135.08069	7.1
135.11693	34.4
137.09634	4.3
140.86421	3.1
141.07008	5.1
142.07758	7.8
143.08528	19.4
144.09258	4.0
145.10126	68.4
147.11714	50.5
149.09610	4.5
149.13268	17.6
151.11191	5.8
157.10139	27.0
158.10902	6.1
159.11710	54.8
161.09618	8.8
161.13306	27.9
163.03851	4.4
163.07607	5.2
163.11130	7.5
163.14842	14.2
169.10083	5.2
170.10901	4.6
171.11674	16.4
173.13257	57.7
175.11195	6.1
175.14818	38.5
177.12831	6.0
177.16405	21.4
183.11702	11.2
185.13258	39.5
187.14845	89.7
189.12729	3.8
189.16428	23.9
191.14343	29.1
191.17972	6.9
193.15942	5.9
196.68205	3.4
197.13275	9.1
199.14824	37.5
201.16405	66.7
203.14357	35.4
203.17973	12.3
205.15874	47.5
208.15154	3.3
209.43230	3.7
210.98549	3.6
211.14847	8.8
213.16377	15.6
215.17914	4.6
217.15822	9.4
219.17464	12.0
221.15367	16.6
223.14844	4.2
225.16351	4.0
229.15776	4.1
229.19482	4.4
231.17363	6.8
239.17969	5.7
245.15437	5.1
247.17000	7.8
249.14879	10.6
259.16888	4.8
281.22546	4.4
387.30508	7.5
393.31589	6.7
405.31616	40.6
423.32605	30.5
433.31024	15.8
437.98535	3.8
441.33621	10.1
451.32144	23.6
469.33231	21.5
487.18082	3.6
487.33994	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	487.3422
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.43264	0.7
53.03967	0.7
55.01864	0.6
55.05507	2.4
57.07079	1.2
67.05507	5.3
69.03407	0.7
69.07073	3.7
70.00478	2.4
72.08141	1.0
74.09721	1.5
79.05494	3.5
81.07063	7.0
83.04991	2.7
83.08633	1.8
91.05486	3.3
93.07046	6.6
95.04980	1.2
95.08617	11.5
97.06540	0.9
97.10183	0.6
98.21515	0.7
105.07045	10.8
107.08605	10.4
109.06527	1.3
109.10167	6.7
111.08092	2.0
117.07032	1.6
119.08588	15.9
121.06549	1.7
121.10154	11.0
123.08096	1.7
123.11699	2.6
125.09615	0.8
129.07002	0.7
131.08571	4.2
133.10139	11.9
135.08060	1.6
135.11702	5.2
137.09639	1.1
139.07545	0.7
141.06985	0.7
143.08577	4.4
145.06482	0.7
145.10130	9.0
147.08034	1.0
147.11690	6.9
149.09654	2.7
149.13260	2.1
151.11211	1.8
155.08554	1.8
156.09312	0.8
157.10115	4.9
159.08069	1.2
159.11711	6.3
161.09618	4.0
161.13249	4.9
163.11217	1.5
163.14854	2.0
165.09122	0.7
169.10202	1.8
171.11734	4.4
173.09634	1.1
173.13271	5.1
175.11258	1.1
175.14828	9.1
177.16440	1.4
182.10992	0.7
183.11716	2.6
185.13275	3.5
187.11177	1.4
187.14825	8.3
189.12801	0.9
189.16391	7.2
191.14406	1.3
191.18031	1.3
195.11757	0.9
196.12483	0.7
197.13301	2.2
199.14818	4.1
201.12802	1.3
201.16431	2.9
203.14317	2.5
203.18027	0.8
205.15840	2.9
207.17624	0.8
211.14897	1.4
213.16423	1.9
215.14354	3.4
215.17891	1.3
217.15941	2.8
225.16763	0.9
227.18042	2.0
229.16075	0.7
229.19644	0.7
232.02553	0.6
233.15404	2.6
235.17073	2.0
239.18074	0.8
241.19540	1.0
251.16376	4.3
253.19525	1.4
257.19147	0.9
271.20624	1.6
273.18729	0.8
291.21109	0.7
297.22159	0.8
299.20081	0.7
317.21228	1.1
340.93060	0.6
344.60300	0.6
387.30490	0.9
405.31476	4.8
423.32697	3.7
429.16357	0.7
433.31140	1.6
441.33731	4.3
451.31940	5.9
469.33694	4.0
487.34238	100.0
488.34601	4.5
488.40372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05498	21.1
57.69764	7.2
67.05505	56.7
69.07060	27.2
69.37810	35.2
69.38231	21.8
71.50694	7.0
79.05486	35.7
81.07056	65.6
83.08634	21.5
87.50999	7.8
88.40099	6.4
91.05461	47.4
93.07037	55.3
95.04981	10.1
95.08611	80.3
97.06525	8.1
98.20719	7.1
105.07034	78.9
107.04954	11.1
107.08595	82.2
109.06515	9.5
109.10159	51.1
117.06998	11.8
119.08584	100.0
121.06470	12.1
121.10169	48.7
123.08049	18.1
123.11688	11.1
129.07047	16.5
131.08582	41.6
133.10139	73.8
135.08067	18.6
135.11676	21.6
143.08585	29.5
145.10138	69.6
147.08018	12.3
147.11653	41.0
149.13274	25.1
157.10126	23.8
158.10912	12.3
159.11682	50.6
161.09628	22.8
161.13266	34.2
163.11166	10.0
163.14833	24.5
169.10123	14.0
171.11684	25.2
172.17873	8.7
173.13257	42.3
175.14874	47.1
177.16396	35.9
185.13287	24.8
187.14809	65.8
189.12753	30.1
189.16389	70.7
191.14339	9.3
197.13271	16.6
199.14806	41.7
201.16403	50.3
203.14339	28.2
203.17955	25.3
205.15962	18.2
207.13797	9.3
211.14771	14.7
213.16449	17.4
215.14264	10.5
215.17967	25.0
217.15854	46.7
219.17392	11.9
221.15369	13.3
227.18019	10.4
229.15877	9.7
229.19327	10.2
235.17009	28.6
239.18205	10.3
247.17061	10.2
253.19574	7.8
261.18509	17.1
267.21124	10.1
273.18497	8.6
387.30139	9.3
393.31464	17.1
405.31586	28.2
421.31616	8.1
423.32623	38.7
433.31473	11.1
439.32172	9.1
441.34027	44.3
451.31979	15.9
469.33453	13.3
487.34833	92.0
500.27744	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	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29296	0.9
55.01883	1.2
55.05508	3.5
62.64154	1.1
67.05502	7.1
67.24931	1.0
69.07069	3.8
72.56509	1.2
76.37894	1.1
79.05486	6.7
81.03402	1.3
81.07063	13.0
83.04968	1.3
83.08630	2.2
91.05488	7.6
93.07053	12.1
95.04974	1.3
95.08616	15.8
96.29625	1.0
97.06522	3.3
97.10168	1.1
98.20759	2.5
105.07031	14.9
107.08601	17.6
109.06476	1.9
109.10175	10.3
111.08083	2.4
117.07038	4.0
119.08591	25.4
121.10147	12.1
123.08068	2.1
123.11742	1.8
129.07024	1.6
130.07709	1.0
131.08566	9.8
133.10136	16.6
135.08090	1.7
135.11691	6.2
137.09650	2.7
142.07716	1.6
143.08554	4.8
145.10127	13.5
147.11665	8.8
149.09657	1.2
149.13280	3.9
153.09145	2.0
155.08589	1.8
157.10146	6.5
159.11674	8.6
161.09679	1.7
161.13239	6.0
163.14830	3.3
169.10132	1.8
171.11713	4.0
173.13274	8.4
175.14828	6.2
177.16388	3.2
179.10663	1.2
185.13277	2.9
187.14818	14.3
189.16380	15.8
191.18008	1.2
197.13258	1.4
199.14841	8.5
201.16396	11.4
203.14371	3.1
203.17986	2.8
205.15878	2.2
207.17427	1.7
211.14813	1.6
213.16371	3.7
215.14384	1.3
215.18002	5.3
217.15910	6.8
225.16402	1.3
227.17984	1.1
231.17430	2.0
235.16914	2.5
247.16995	2.3
360.00452	1.2
390.89252	1.1
393.31421	1.5
405.31897	5.9
421.30936	1.2
423.32727	4.9
433.31042	3.9
439.32092	100.0
440.32385	4.6
451.32098	4.0
458.24146	1.2
469.33014	2.7
480.34601	2.2
487.34561	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	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03937	1.4
55.01867	0.7
55.05521	3.5
55.45601	0.6
56.96582	0.8
57.07077	0.7
61.02918	1.1
61.93882	0.5
63.93816	0.5
67.03922	0.5
67.05505	9.1
69.03438	1.1
69.07088	3.8
69.70923	0.5
70.73947	1.6
71.04990	0.7
72.72488	0.5
79.05500	6.6
80.00777	0.6
81.03424	1.6
81.07067	10.3
83.05006	1.1
83.08644	3.0
85.02891	1.1
85.06528	0.7
91.05484	6.8
93.07053	11.9
95.04967	1.6
95.08615	19.1
97.02895	0.7
97.06543	1.7
97.10163	0.9
98.21568	0.6
100.21431	0.6
103.05508	0.6
105.04533	0.6
105.07043	14.2
107.04982	1.1
107.08601	17.3
107.60728	0.7
109.06525	1.3
109.10158	12.3
109.10855	1.0
111.08059	2.3
114.10122	0.6
115.05450	0.7
117.07017	3.9
119.08588	23.6
121.06484	1.9
121.10150	12.6
123.08077	2.5
123.11749	3.0
125.09630	0.9
128.06264	0.7
129.07021	1.4
130.07831	1.1
131.08582	10.4
131.09537	0.9
133.10141	17.3
133.11113	1.2
135.08058	2.6
135.11722	7.3
137.09644	1.3
141.09090	0.7
142.07768	1.9
143.08568	5.4
144.09267	0.7
145.10133	15.8
147.08076	0.8
147.11694	8.7
149.09651	1.8
149.13307	3.1
151.07593	0.8
151.11201	0.9
153.09142	2.0
155.08601	1.1
157.10152	7.0
159.11697	10.1
161.09676	0.7
161.13223	7.0
163.11160	0.6
163.13651	0.6
163.14825	3.6
165.09090	0.8
169.10123	0.8
170.10913	0.9
171.11696	4.4
173.13243	7.5
175.11230	1.1
175.14828	6.8
177.09084	0.7
177.12779	1.7
177.16425	3.0
183.11758	1.9
184.12431	0.8
185.13280	4.3
187.14832	14.8
189.12726	1.0
189.16391	12.2
191.14339	1.2
191.17967	1.9
193.12256	0.7
197.13261	1.8
199.14839	6.7
201.16405	9.6
203.14333	2.3
203.17990	2.5
205.15929	2.6
207.17419	0.7
209.13451	0.6
211.14882	1.2
213.16406	3.0
215.14407	1.4
215.17966	5.7
217.15881	5.5
219.17314	0.6
221.15221	0.7
225.16364	1.1
227.17993	1.6
229.15932	1.6
229.19522	1.9
231.17477	1.1
235.17015	2.7
241.19427	0.8
243.21201	0.7
247.16956	3.1
255.20979	0.9
261.18619	1.2
267.09067	1.4
267.20990	1.0
285.10245	1.7
287.81195	0.7
309.21997	0.7
387.30505	1.9
393.31448	1.6
405.31497	5.7
423.32837	4.0
433.31067	2.7
439.32117	100.0
440.32297	3.3
451.32172	4.1
469.33151	2.0
471.60403	0.6
480.34702	2.4
487.34421	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	487.3425
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.12666	3.6
53.03954	3.8
55.05507	9.8
67.05521	19.3
67.57153	4.0
68.19556	3.9
69.03404	3.9
69.07074	17.9
69.37296	23.3
69.37703	7.8
75.88705	3.5
79.05506	17.6
81.07061	44.4
83.05003	10.8
83.08619	10.8
91.05466	23.5
93.07069	40.6
94.26551	3.7
95.05010	5.8
95.08612	63.2
97.06541	11.0
100.11266	4.6
105.07043	56.1
107.08601	66.2
109.06551	4.7
109.10172	31.0
117.07010	12.0
119.08591	100.0
121.06535	4.0
121.10148	42.6
123.08058	7.3
123.11707	18.1
125.09656	9.5
129.07056	5.6
130.07767	4.3
131.08597	40.9
133.10146	57.3
135.08070	8.2
135.11685	19.7
137.09659	5.8
142.07819	4.8
143.08600	18.1
145.10141	78.9
147.11705	28.0
149.09662	7.0
149.13234	15.2
151.11171	4.4
156.09386	4.1
157.10123	24.4
159.11697	44.2
161.09630	5.2
161.13310	35.4
163.03934	9.0
163.07599	7.7
163.11295	5.0
163.14914	15.5
168.32310	4.2
169.10226	5.0
170.10991	4.2
171.11710	17.3
173.13280	41.8
175.11127	4.6
175.14813	34.5
177.16394	15.3
179.14366	4.5
183.11765	10.8
185.13263	33.4
187.14839	80.6
189.16429	23.7
189.18001	3.9
191.10718	5.4
191.14377	22.4
197.13333	5.5
199.14856	23.7
201.16391	54.7
201.98914	4.5
203.14307	17.7
203.17921	14.0
205.15884	57.9
211.14882	8.5
213.16353	11.9
215.14339	9.2
215.17972	11.1
217.15933	8.0
219.17477	23.0
221.15346	9.6
229.15930	5.4
231.13725	4.5
231.17433	8.6
233.15405	7.0
241.19379	3.9
247.16862	6.1
269.15457	4.7
377.24356	4.8
387.30759	8.1
393.31656	6.6
405.31549	38.5
407.33295	8.1
423.32599	33.7
433.30838	18.8
441.33548	17.3
451.32523	26.8
469.32910	12.2
487.34515	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.58252	4.2
53.03933	5.0
55.01867	4.8
55.05504	17.7
56.96568	4.5
57.03436	4.8
57.07066	4.6
61.91579	3.6
63.31794	4.3
67.05507	27.0
69.07062	16.5
69.38337	31.7
71.04978	3.6
79.05478	25.9
81.07060	45.3
83.04960	8.1
83.08618	12.9
91.05480	41.6
93.07048	44.8
95.04969	7.1
95.08061	6.5
95.08607	70.3
96.38445	4.3
97.02918	5.3
97.06551	7.5
97.10141	5.5
105.07026	70.8
107.04936	4.3
107.08595	43.0
109.06512	12.0
109.10159	31.9
111.08084	11.7
116.06207	3.7
117.06989	16.3
119.08582	93.5
121.06523	15.1
121.10138	42.7
123.01250	3.7
123.08067	10.8
123.11693	8.9
125.05979	3.9
128.06187	4.0
129.07018	8.5
131.08572	54.9
133.10138	64.3
135.08015	9.4
135.11691	18.4
137.09634	6.4
142.07790	5.8
143.08554	23.2
144.09291	4.2
145.10115	69.5
147.08057	7.4
147.11682	31.3
149.09680	5.5
149.13239	15.1
153.09027	7.6
155.08531	7.5
156.09323	5.9
157.10167	31.4
159.07986	5.7
159.11684	54.2
161.09602	9.3
161.13264	30.5
163.11203	9.4
163.14836	27.4
167.10678	4.2
169.10150	8.3
170.10980	4.2
171.11626	20.5
173.13286	56.6
175.11182	9.4
175.14859	30.3
177.09096	8.1
177.12709	7.2
177.16409	12.2
183.11688	11.0
185.13232	17.6
187.14841	69.1
189.12698	9.5
189.16405	48.4
191.14313	100.0
191.17937	17.1
197.13310	7.8
199.14807	29.6
201.16365	34.6
203.14270	24.7
203.17932	23.9
205.15852	27.0
205.19504	4.8
213.16367	6.8
215.17949	6.1
217.15988	24.0
219.17599	4.2
221.15398	9.8
225.16289	4.4
229.15889	5.8
231.17438	7.8
235.16891	34.2
247.16948	29.3
267.09070	4.7
275.20135	4.7
285.10248	5.7
292.19739	4.6
315.10971	3.9
352.47952	4.6
393.31573	8.2
405.31628	27.6
423.32727	11.6
433.30728	5.8
441.33426	9.7
451.32315	23.5
469.33054	18.5
487.34445	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	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11442	3.1
51.75925	2.7
53.03944	4.6
55.05501	14.2
55.17494	3.1
56.64666	3.1
57.70220	2.9
61.02919	3.4
64.77036	2.9
67.05515	16.6
69.03421	9.0
69.07071	9.1
70.97704	5.7
78.24778	3.0
79.05511	17.6
80.29886	2.9
81.03404	4.4
81.07052	35.6
83.04971	3.3
83.08601	5.4
85.02908	7.5
85.06606	3.0
89.03930	6.3
91.05481	17.2
93.07050	34.6
95.04958	6.8
95.08611	44.7
97.06525	7.1
98.21471	3.3
99.08103	7.7
99.75980	3.4
105.07045	40.4
107.08596	46.9
109.06506	5.5
109.10165	21.2
111.08054	3.4
111.18676	3.6
115.58466	2.8
117.03362	8.1
117.07027	8.8
119.08581	82.7
121.10138	27.9
123.08052	4.7
123.11726	9.5
125.09644	11.1
126.38969	3.3
127.03870	4.1
129.07054	4.3
131.08563	32.8
133.10141	40.7
135.04414	15.8
135.08017	5.0
135.11745	17.8
137.09610	3.8
142.07787	5.8
143.08560	20.1
144.08061	6.1
145.02888	10.8
145.10132	52.6
146.45557	3.4
147.11671	27.0
147.39989	3.3
149.09619	4.1
149.13240	6.4
151.11253	6.5
157.10176	19.7
159.11696	40.8
161.09587	7.3
161.13229	20.7
163.03912	100.0
163.11166	6.2
163.14847	9.2
165.09131	10.4
169.10249	6.7
171.11740	13.1
173.13307	32.7
175.11214	6.2
175.14848	29.6
177.16444	12.6
179.14377	3.8
181.04988	4.8
183.11714	8.2
185.13280	28.5
187.07524	3.5
187.14819	48.5
189.16418	13.6
191.14294	17.5
191.17964	6.9
197.13290	10.6
199.14841	22.7
201.16380	41.8
203.14357	22.9
203.17944	10.3
205.15837	21.1
211.14839	6.2
213.16412	14.1
215.18088	4.1
217.15930	6.5
219.13794	3.6
219.17416	10.5
221.15367	5.4
225.16380	5.0
227.18024	7.7
231.17581	5.5
239.18034	3.4
243.17558	3.7
245.15433	6.4
247.16927	6.4
249.14925	9.8
251.17979	3.1
253.60979	3.3
259.16949	6.0
283.20557	4.9
387.30280	6.1
405.31589	33.1
423.32523	18.2
433.31079	13.1
441.33475	6.7
451.32379	17.9
469.33078	9.8
487.30582	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	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
61.02935	0.8
69.03428	3.1
69.07075	0.8
70.06598	1.9
73.02927	0.7
79.05508	1.6
81.03421	0.9
81.07045	0.8
82.23643	0.5
85.02908	2.5
86.09715	3.1
89.03923	0.8
91.05463	0.9
95.04975	1.4
97.02897	2.9
97.06546	3.5
98.06881	1.8
103.82475	0.5
107.04980	0.8
109.02911	0.7
111.04465	0.9
114.09166	1.3
117.03392	1.4
117.07072	0.7
123.04427	0.7
127.03932	1.3
130.06569	1.7
135.04453	1.8
137.05997	1.0
143.07301	1.2
144.08083	11.2
145.02875	1.4
146.06001	0.6
151.03931	1.8
153.31473	0.8
156.08119	0.7
158.09801	0.7
163.03928	12.8
164.04308	1.8
167.67415	0.6
168.08070	1.4
173.02336	0.8
174.02831	0.8
177.89902	0.6
180.08136	0.7
182.09662	1.0
194.09740	0.8
203.05272	0.9
210.09160	1.2
215.07050	0.7
216.07457	0.9
229.15575	0.8
234.12802	0.8
238.08690	0.9
259.09622	3.4
260.10086	6.6
262.12399	0.7
264.13889	1.2
272.10406	0.5
273.47369	0.6
278.11600	0.8
280.13486	1.2
282.14944	0.9
307.11804	1.1
308.12775	3.2
326.13983	2.7
335.09491	13.9
336.09933	0.6
355.17389	4.8
380.70889	0.6
487.21536	100.0
488.22202	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37314	3.4
55.01844	4.2
55.05509	12.6
67.05503	15.6
69.03416	12.0
69.07059	9.9
69.35623	8.6
69.36040	17.9
77.37934	3.1
79.05520	18.3
79.05899	4.0
81.07057	28.9
83.04945	4.7
83.08614	10.9
85.02900	10.1
89.03879	6.4
91.05476	13.9
93.07042	31.3
95.04951	3.9
95.08611	41.8
97.06516	9.1
99.08088	5.8
105.07050	46.6
107.04963	7.5
107.08600	47.7
109.06515	5.9
109.10154	24.2
111.08051	4.2
112.96337	3.4
117.03378	5.1
117.07017	12.0
119.08590	72.1
121.10155	36.4
123.08064	5.4
123.11720	8.4
125.09632	4.1
127.03876	4.4
129.07007	4.1
131.08566	33.4
133.10141	40.4
135.04411	14.5
135.08002	3.7
135.11717	17.7
137.06023	6.4
137.09615	5.6
142.07776	4.4
143.08582	13.8
144.08076	9.1
144.09251	3.7
145.02834	9.9
145.10130	55.2
147.11682	29.2
149.09621	6.5
149.13277	10.9
151.11185	4.4
156.09366	5.3
157.10146	19.4
159.11696	36.1
161.13234	18.9
163.03908	100.0
163.11212	6.6
163.14864	10.1
169.10107	8.0
170.10913	4.2
171.11691	13.1
173.13293	33.6
175.11298	4.3
175.14833	28.8
177.12698	4.1
177.16420	10.6
183.11668	9.7
185.13229	31.3
187.14844	41.2
189.16367	12.7
191.14319	17.0
191.18008	4.3
193.15785	4.1
197.13304	8.4
199.14822	21.9
201.12596	5.3
201.16374	37.4
203.14275	20.2
203.17889	8.0
205.15912	21.5
209.13295	4.6
211.14740	4.2
213.16408	10.8
215.14375	3.9
215.17963	5.0
217.15936	6.7
219.17445	13.6
221.15292	5.3
227.18068	5.9
231.17371	4.8
233.15549	3.4
241.15736	5.2
245.15541	3.8
247.16911	5.1
249.14810	9.1
259.16882	4.1
273.18356	3.5
280.95544	3.5
283.20551	9.2
295.47635	3.7
322.27386	3.2
325.09113	6.0
405.31497	28.1
421.31046	4.0
423.32861	18.7
433.31033	8.5
441.33817	8.1
451.32166	18.6
469.32831	9.8
487.18140	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	487.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02172	0.5
62.14891	0.6
69.03415	0.9
69.18118	1.3
69.18513	5.6
71.31290	0.5
79.05495	1.8
81.03397	0.6
81.07047	1.6
83.04978	1.6
85.02890	2.0
89.03934	3.0
95.04952	0.7
97.02890	0.8
98.20774	1.2
99.04445	0.7
107.04955	1.4
109.06502	3.3
111.04415	0.9
117.03371	2.3
117.11879	0.6
121.28683	0.6
123.04501	0.8
127.03892	0.6
134.63176	0.6
135.04436	5.7
145.02829	4.1
147.04424	1.3
151.03894	1.5
151.07541	1.9
152.68994	0.6
163.03918	33.9
164.04337	0.7
165.07019	1.6
166.55852	0.6
167.70145	0.6
181.04999	1.4
193.06627	0.8
197.05904	0.7
205.06538	1.3
218.66022	0.6
221.05988	41.4
222.06493	0.8
223.07451	3.1
233.05959	0.7
236.97594	0.6
239.07259	0.8
249.05492	19.5
250.06015	0.9
251.06985	3.4
253.05151	0.6
260.09705	0.6
267.06497	3.8
269.08197	1.3
271.05984	1.3
277.04996	1.9
281.04468	0.9
285.07581	5.5
295.06036	100.0
296.06326	2.3
313.07135	2.6
319.08310	1.1
372.31549	0.7
487.17731	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	486.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05494	1.2
57.03420	1.2
57.10188	1.0
58.66375	1.1
61.99678	1.0
66.42772	1.2
67.05490	2.4
67.80481	1.1
69.03408	3.6
69.07069	12.4
69.86752	3.7
69.87164	2.2
71.48357	1.2
72.14655	1.0
72.15057	1.4
79.05508	6.2
81.07048	2.0
83.04990	5.3
85.02892	3.1
86.09700	2.0
89.03918	4.0
91.05479	3.6
93.03420	1.5
93.07040	7.0
95.04958	2.2
95.08601	1.4
97.06539	22.1
105.07022	2.5
107.04913	1.8
107.08600	2.2
111.04453	5.4
117.03372	6.4
119.08588	2.8
121.10151	6.6
131.04893	1.9
134.03644	1.6
135.04442	9.0
137.05952	1.3
139.03853	2.4
145.02866	10.6
145.10066	1.7
147.04420	1.7
147.06462	1.4
157.06316	1.0
159.11726	1.2
162.72324	1.3
163.03914	94.1
165.54712	1.0
167.10548	1.0
184.07397	1.3
193.07082	1.2
201.09111	1.2
201.16309	1.4
217.04964	3.6
232.13712	1.2
235.09802	1.8
241.08539	4.9
259.09677	100.0
260.10010	1.7
265.97864	1.2
324.10291	2.3
372.36035	1.2
433.15143	2.1
451.16010	2.5
486.10831	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	486.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33983	1.8
53.03953	1.9
54.40076	1.6
65.03923	1.7
67.05503	1.8
69.03395	2.9
69.07072	11.5
70.06564	1.9
71.49449	1.5
71.49856	2.6
71.92086	1.6
79.05501	8.4
81.07051	2.0
83.04973	5.0
84.99486	1.8
85.02870	2.0
89.03912	2.5
93.03415	2.5
93.07057	2.2
95.04960	2.7
97.06534	34.1
107.04908	2.5
111.04471	3.8
117.03349	4.5
125.05998	1.4
134.03612	2.0
135.04420	11.5
139.03886	4.7
144.08047	4.3
145.02824	11.1
146.06000	2.7
147.04410	1.6
147.11650	1.8
163.03908	100.0
164.04297	2.3
170.09616	1.7
171.09201	2.1
174.05565	2.3
211.12784	1.6
241.08604	2.4
249.13730	2.2
251.15482	8.3
259.09662	97.2
295.02426	1.6
304.05417	1.9
403.19357	1.7
422.20572	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	486.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33983	1.8
53.03953	1.9
54.40076	1.6
65.03923	1.7
67.05503	1.8
69.03395	2.9
69.07072	11.5
70.06564	1.9
71.49449	1.5
71.49856	2.6
71.92086	1.6
79.05501	8.4
81.07051	2.0
83.04973	5.0
84.99486	1.8
85.02870	2.0
89.03912	2.5
93.03415	2.5
93.07057	2.2
95.04960	2.7
97.06534	34.1
107.04908	2.5
111.04471	3.8
117.03349	4.5
125.05998	1.4
134.03612	2.0
135.04420	11.5
139.03886	4.7
144.08047	4.3
145.02824	11.1
146.06000	2.7
147.04410	1.6
147.11650	1.8
163.03908	100.0
164.04297	2.3
170.09616	1.7
171.09201	2.1
174.05565	2.3
211.12784	1.6
241.08604	2.4
249.13730	2.2
251.15482	8.3
259.09662	97.2
295.02426	1.6
304.05417	1.9
403.19357	1.7
422.20572	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	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.24804	3.2
55.05516	11.2
57.05965	3.2
62.83519	3.3
65.03967	3.6
67.05513	19.1
69.03444	4.6
69.07071	15.3
71.10498	3.4
71.49980	4.2
71.50364	5.0
79.05495	17.6
81.07074	49.1
83.04985	9.9
83.08633	8.5
86.16122	3.1
91.05490	25.0
93.07049	34.4
95.04983	8.9
95.08612	51.6
97.06550	7.8
97.10167	4.9
97.42377	3.2
104.44736	3.5
105.07046	80.8
107.08609	49.6
109.06511	8.1
109.10169	26.1
110.94575	3.9
111.08088	5.0
113.50994	3.7
117.07029	15.3
119.08592	100.0
121.06535	10.2
121.10149	44.9
123.08067	9.7
123.11748	6.2
125.09574	3.3
129.07040	10.9
131.08591	34.7
133.10147	54.3
135.08029	10.9
135.11717	12.1
137.09657	4.9
139.07634	3.7
142.07791	7.2
143.08591	30.4
145.10138	60.7
147.08162	4.3
147.11681	29.7
149.09641	8.6
149.13254	10.3
151.11240	3.8
155.08597	11.1
156.09291	5.9
157.10109	26.6
158.10947	4.7
159.08147	3.4
159.11708	45.4
161.09648	12.4
161.13274	30.2
163.11230	9.9
163.14876	14.2
169.10156	13.9
170.10973	6.4
170.48949	3.8
171.11708	23.5
173.13268	42.0
175.11171	9.2
175.14851	63.7
177.12753	5.1
177.16385	21.9
181.10133	8.3
181.12279	5.4
183.11702	15.1
185.13283	32.6
187.14822	46.2
189.12817	7.4
189.16379	39.5
191.14354	5.1
193.10298	3.5
193.12332	4.3
195.11710	8.5
197.11691	8.3
197.13295	14.5
199.14781	19.7
201.12749	9.5
201.16451	15.8
203.14357	35.4
203.18001	7.3
205.15849	17.8
207.11716	4.9
207.13818	4.9
209.13258	10.4
211.14865	11.1
213.12766	6.4
213.16409	9.4
215.14270	11.1
215.17953	7.5
217.15884	11.6
221.13437	4.7
221.15440	12.5
223.15010	4.7
225.16408	8.6
227.17990	11.3
229.15862	8.6
231.13818	9.0
233.15433	7.6
235.14989	6.2
235.17094	15.6
239.17911	9.5
241.19621	5.0
245.15320	5.1
245.18887	3.5
247.16985	4.2
249.14793	32.9
251.17905	6.2
253.19569	10.7
255.21106	9.6
263.16226	4.5
267.16016	14.5
271.20569	4.5
273.18646	4.2
301.21866	5.2
303.21088	5.0
373.29056	3.8
375.30429	4.7
385.28519	7.1
391.29977	6.3
403.30051	39.9
405.31726	4.0
409.30893	5.9
421.31073	37.5
431.29449	5.4
437.30588	11.3
439.32208	33.2
449.30560	35.0
467.31754	43.6
485.21881	4.0
485.32904	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.13764	4.9
55.05509	16.1
67.05507	35.2
69.03417	6.5
69.07053	23.6
69.38427	40.6
70.65852	6.4
71.03446	6.2
79.05481	25.9
81.07068	46.5
83.04963	10.8
83.08618	8.6
91.05484	41.8
93.07043	42.8
95.04960	15.3
95.08609	77.3
105.07043	61.0
107.08601	65.1
109.06513	9.1
109.10137	24.7
117.06996	19.1
119.08591	100.0
121.06549	7.5
121.10153	50.9
123.08095	8.9
123.11672	10.2
128.06281	8.4
129.06969	14.0
131.08577	55.0
133.10144	45.8
135.11707	17.8
143.08569	21.1
145.10130	69.8
147.08014	10.3
147.11696	49.0
149.13257	21.7
155.08592	9.0
157.10156	28.6
159.08092	8.6
159.11694	56.0
161.09647	14.0
161.13214	30.6
163.14809	21.5
169.10143	10.6
171.11691	23.9
173.13268	67.2
175.11162	9.0
175.14885	33.0
177.12784	7.9
177.16397	25.0
181.10101	7.8
183.11774	10.3
185.13246	17.4
187.11111	9.8
187.14856	62.2
189.12769	11.3
189.16402	72.7
191.14342	28.0
195.11696	9.6
197.13329	13.1
199.14786	15.7
201.12726	7.2
201.16428	44.3
203.14362	13.7
203.17982	24.5
205.12288	10.3
207.13829	6.9
213.16335	14.0
215.14352	12.9
215.18016	10.5
217.15981	11.0
219.13766	9.9
222.11356	7.3
227.17795	11.2
229.16017	7.9
229.19443	9.8
233.15407	13.2
239.17809	9.3
240.09991	6.0
245.15744	7.4
247.16953	15.8
253.19460	8.1
269.22504	7.5
322.36078	6.4
375.30344	8.1
391.30087	15.2
403.30014	17.8
409.31339	6.4
421.31155	36.1
431.28680	6.8
437.30548	7.1
439.32297	32.4
449.30460	16.2
455.31592	59.4
467.31784	45.8
485.32919	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17268	4.1
55.05498	12.5
57.03433	15.4
57.07074	23.1
59.68929	4.1
67.05517	20.4
69.07057	9.5
71.08617	18.7
71.46114	3.4
79.05489	8.7
81.07051	22.0
83.08607	9.1
85.10183	9.2
89.06024	8.4
91.05486	13.9
93.07069	6.0
95.08604	15.2
98.98463	8.9
103.99379	3.5
105.07031	10.6
107.08553	7.0
109.10167	5.4
119.08591	11.1
131.08607	4.3
133.10147	16.5
145.10185	7.0
155.01036	5.2
157.63281	4.2
313.27365	100.0
484.46902	5.3
485.32782	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
62.58323	0.3
71.48838	0.5
86.95084	0.3
91.05477	0.4
98.97603	0.4
107.04906	0.4
115.05454	0.7
117.05724	0.4
117.07010	2.3
128.05008	0.3
135.04465	0.4
137.02383	0.5
143.07317	1.3
144.08087	100.0
145.08453	1.5
147.04425	0.9
153.01840	0.7
155.06041	0.7
161.10751	15.2
163.03896	1.1
165.05463	0.4
191.03384	1.6
255.25847	0.4
259.06354	0.4
301.07010	1.1
372.44958	0.3
458.59836	0.3
485.16669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01866	3.4
57.03442	6.6
57.07076	1.4
61.02914	4.5
62.43977	1.1
67.05501	6.1
69.03441	9.1
69.07068	4.4
69.86923	6.8
70.18015	1.4
73.02921	19.1
79.05505	7.3
81.03426	1.8
81.07069	100.0
81.55866	1.3
85.02441	2.2
85.02914	31.1
93.07075	1.6
95.08620	39.8
97.02313	1.7
97.02903	19.8
99.04462	2.3
104.02094	1.6
107.08568	1.5
109.02917	2.8
109.10172	3.2
115.03928	10.9
127.03908	11.2
133.04971	14.6
137.13272	59.5
145.04974	14.0
149.09000	1.5
155.14383	1.9
163.06015	10.1
223.05914	2.8
241.06992	4.4
251.16101	1.3
259.08075	9.0
277.09225	3.8
295.10324	9.1
303.04965	3.1
304.05359	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	483.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
56.95760	0.9
57.07063	2.5
67.05500	5.7
69.03434	1.4
69.07064	7.3
71.49303	1.0
79.05487	2.4
81.07062	12.5
83.04977	3.3
83.08604	3.1
89.06030	3.6
91.05474	2.9
93.07046	6.5
95.04980	2.4
95.08615	20.0
97.06544	1.2
97.10205	1.7
105.07033	5.4
107.08599	11.9
109.06513	1.3
109.10175	8.5
111.11757	1.7
117.07024	0.9
119.08604	9.1
121.06513	2.0
121.10159	11.6
123.08081	2.9
123.11694	5.3
125.09625	1.4
129.07082	0.9
131.08577	1.7
133.08589	2.0
133.10124	7.5
134.08974	1.1
135.08041	4.5
135.11697	9.8
137.09630	1.6
137.13274	3.1
143.08578	0.9
145.10133	3.7
147.08069	0.9
147.11699	3.4
149.09641	16.2
149.13249	3.5
157.08928	0.9
157.10144	1.4
159.11681	3.3
161.09711	1.4
161.13303	3.0
163.11226	2.2
163.14868	1.6
165.12799	0.8
168.59888	1.0
173.13206	2.3
175.11357	1.0
175.14819	4.8
177.12868	1.4
177.16426	3.8
187.14909	2.0
189.16423	6.7
191.17976	4.9
199.14890	0.9
200.15620	1.1
203.17937	1.1
205.19547	1.0
209.19054	1.1
213.16508	1.5
215.18037	2.6
233.19096	5.1
243.21075	1.3
245.19084	1.3
259.20398	0.9
269.22629	1.1
277.18042	1.9
283.17456	1.4
283.26593	1.2
284.17947	1.0
287.23743	6.9
289.76682	1.0
360.69708	0.9
409.68097	0.9
423.36230	1.2
483.38376	100.0
484.38632	4.1
484.47272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01863	3.0
57.03425	5.7
59.62263	1.6
65.41822	1.6
67.05494	4.1
69.03419	2.5
69.07066	20.2
69.19613	4.6
69.20019	14.4
71.04974	2.4
79.05490	18.2
80.15981	1.7
81.07079	3.6
91.05474	2.9
97.06538	54.4
98.20781	3.0
103.67280	1.7
107.04934	1.9
107.08559	2.1
111.08080	8.7
112.08833	3.4
117.03382	3.8
129.09102	2.6
130.58478	1.8
131.08609	2.1
133.02827	6.0
135.04404	6.6
137.89998	1.7
145.02817	8.2
146.05984	2.1
147.04404	2.8
159.04398	4.0
161.02368	14.7
163.03918	43.3
173.02356	100.0
177.05458	6.9
178.05722	2.1
185.05994	5.1
187.03831	2.3
187.07477	2.0
191.03438	12.7
195.08043	1.8
199.03941	2.5
213.09108	5.3
215.07039	97.4
223.07509	2.8
233.08128	4.7
241.06261	3.7
241.08591	51.9
259.09674	67.2
273.11237	98.1
291.12173	6.4
297.71875	2.0
441.90927	1.9
483.12573	3.6
495.71140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83535	3.1
55.05520	27.8
57.03443	9.1
57.07076	8.6
67.05477	7.4
69.07080	32.2
70.67114	10.2
71.08622	6.8
81.07047	9.5
83.08628	20.8
85.10168	4.3
91.05472	4.2
93.07044	8.0
95.08614	8.0
97.10163	12.3
98.98443	11.0
107.08626	7.8
109.10152	4.0
111.11692	3.5
113.08681	3.7
135.11687	4.7
145.10054	3.6
155.01036	6.6
189.39497	3.5
216.85072	3.7
311.25833	100.0
387.41241	3.8
447.24942	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	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01870	2.1
55.05521	1.6
57.03434	3.1
67.05507	3.0
69.07066	10.8
69.92126	5.9
71.05000	1.2
75.12759	1.3
79.05498	12.1
81.03422	2.0
81.07050	4.3
83.04989	1.9
89.03903	2.2
91.05495	1.5
93.07054	2.2
95.04958	2.0
97.06533	26.6
107.04986	2.1
107.08576	1.6
107.55296	1.2
111.08105	4.7
112.08885	3.3
117.03380	3.9
131.08563	1.4
133.02841	6.4
135.04459	4.2
137.06017	1.7
143.08548	1.6
145.02866	3.2
147.04446	1.6
153.01875	1.7
157.06453	2.1
159.04477	5.1
159.11600	1.5
161.02312	8.9
163.03914	26.1
167.07106	1.2
169.06458	1.3
173.02351	88.1
176.30341	1.1
177.05530	6.4
185.06038	4.3
187.03954	2.5
187.07506	1.1
191.03377	10.1
195.08127	2.0
197.05988	1.4
203.11012	1.2
213.09128	2.9
215.07034	84.0
216.07404	1.5
226.06274	1.2
233.08139	4.0
241.08620	25.6
259.09677	37.1
273.11234	100.0
274.11377	2.0
291.12292	2.9
317.08673	1.2
335.44724	1.2
465.16608	1.3
483.11588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01852	1.8
55.05515	1.9
55.70802	1.7
57.03440	4.2
61.02935	2.1
65.40230	1.7
67.05499	3.7
68.53328	1.6
68.69048	1.6
68.79930	1.6
69.07066	24.1
70.02390	8.6
70.02684	2.2
79.00383	1.8
79.05496	10.0
81.07062	2.0
83.38952	1.5
87.08071	1.7
89.03916	3.9
90.10383	1.8
95.04969	1.9
97.06535	93.4
98.21502	2.1
111.08112	2.4
117.03369	4.0
133.02867	2.5
135.04427	9.9
145.02859	7.7
153.01840	2.7
159.04434	7.1
161.02356	28.8
163.03911	61.4
173.02345	58.4
174.98907	1.9
185.06038	4.8
187.07492	2.6
191.03403	9.5
215.07030	97.6
233.08157	5.2
241.08614	18.6
259.09659	31.5
273.11282	14.2
291.12274	100.0
389.23260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.19827	0.4
63.02381	0.5
65.03936	2.2
66.55209	0.3
67.05515	1.0
70.06606	0.7
70.87007	0.5
71.48488	0.5
79.05504	1.4
81.43524	0.4
83.04990	1.0
89.03917	7.9
91.05483	12.1
93.03401	1.0
95.04961	3.3
95.05385	0.3
97.02899	0.4
97.06523	0.4
105.07010	0.5
107.04961	2.5
111.04468	1.2
117.03387	9.3
119.04950	25.7
119.08553	0.4
135.04420	18.2
137.06001	0.5
139.03897	1.1
145.02850	12.8
147.04416	100.0
148.04759	1.2
152.10680	0.4
153.01823	0.9
161.09633	0.3
163.03911	98.8
164.04247	1.4
165.05473	0.9
181.04951	1.0
215.06996	0.6
243.02550	0.3
283.40176	0.4
289.15768	0.4
302.04181	0.8
303.04987	2.3
303.08554	12.0
319.04590	0.6
319.08127	8.4
438.82681	0.4
483.07428	0.5
483.12369	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	483.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93536	1.2
61.37290	1.0
62.10942	1.0
64.04588	1.0
69.50964	1.0
70.39882	4.3
70.99866	1.3
82.99406	1.3
82.99862	4.8
89.03900	1.5
94.99898	1.5
97.02862	1.4
101.00878	20.8
113.00883	7.4
115.02423	1.9
117.03379	2.4
119.01920	19.0
124.99158	1.6
127.02417	5.0
131.01907	14.8
135.04433	3.2
139.02443	2.4
143.01898	29.8
144.02054	1.3
145.03543	11.3
147.01411	1.5
147.05048	1.8
155.01894	31.3
156.02028	1.5
157.03452	8.6
159.01376	3.1
161.02969	18.1
163.03889	17.4
167.01895	18.6
167.03165	1.1
169.03455	5.1
171.05052	2.0
173.02975	36.8
175.04449	1.5
177.02446	5.1
179.01881	4.7
181.03474	1.5
183.01379	5.3
183.05016	2.6
185.02956	46.0
186.03149	1.8
187.04517	4.3
187.48586	1.2
189.06038	1.6
191.04054	1.7
195.01459	1.5
197.02982	16.4
201.02455	73.7
201.06143	6.7
202.02528	1.2
203.04024	15.2
209.03004	4.0
213.02411	12.8
215.03992	10.6
219.03508	79.7
220.03816	1.4
221.03078	2.0
221.05063	3.6
225.02483	3.3
227.03983	11.4
231.03490	11.2
237.02505	2.7
237.04607	1.9
239.03964	1.5
242.05106	1.5
243.03415	2.9
245.05078	100.0
246.05263	3.6
249.04674	5.8
255.03738	6.1
257.05045	6.4
261.04553	16.6
263.06189	11.9
275.06104	16.1
279.05643	6.2
285.04486	3.2
290.55579	1.8
291.09241	4.6
293.07324	3.7
303.02054	2.3
303.05661	29.2
303.09271	3.5
305.07156	10.4
317.07401	1.5
321.06680	44.3
321.09985	1.8
335.08398	5.4
365.09119	8.4
408.51263	1.5
465.14703	1.3
483.11923	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	482.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11840	2.1
55.01876	2.8
55.05519	16.8
57.07074	3.6
64.70337	2.2
67.05508	26.8
69.07058	9.1
70.10630	8.7
79.05508	24.6
81.03425	3.8
81.07062	27.4
83.04980	4.9
83.08612	12.7
91.05477	25.3
93.07050	21.5
95.04984	23.3
95.08620	13.5
97.06549	6.5
97.10184	5.4
105.07048	24.2
107.04956	7.5
107.08585	16.4
107.72812	2.0
109.06543	3.5
109.10165	12.2
111.08090	5.0
117.07043	6.5
119.08597	20.1
121.06475	3.1
121.10157	7.6
123.08085	4.9
123.11709	4.0
125.09669	3.1
129.07036	2.1
131.08578	9.0
133.08612	2.9
133.10150	18.4
135.08078	2.7
135.11708	4.9
137.09601	4.3
143.08572	4.8
145.10117	15.3
147.11710	9.1
149.09633	23.6
151.11159	3.1
155.08588	3.1
155.10588	2.5
157.10176	2.9
159.11732	8.6
161.13266	4.3
163.11183	21.9
165.12694	2.2
167.93436	2.3
169.10153	3.6
171.11775	2.4
173.09695	3.2
173.11694	3.2
173.13156	3.3
175.11156	2.4
177.12682	3.3
189.11253	2.3
203.58124	2.1
223.13303	16.7
229.19423	3.4
239.17964	10.9
239.46510	2.5
239.48930	2.4
247.20532	2.7
257.19031	13.5
275.20087	100.0
293.21072	36.2
316.96835	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	483.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39681	0.5
53.03928	0.9
55.01865	0.6
55.05499	0.5
61.97641	0.5
65.03945	8.1
67.05495	0.6
68.99787	1.3
69.07089	0.6
70.06567	0.7
79.05477	2.1
81.03410	0.8
81.07073	1.0
83.04976	0.7
85.02898	0.7
89.03919	2.4
91.05499	8.5
92.02630	3.9
93.02836	0.7
93.03417	14.0
93.07056	0.5
93.21549	0.6
95.04966	2.4
95.08586	0.6
98.43283	0.5
105.07033	1.3
107.04971	10.4
109.02863	0.7
109.10163	0.6
111.00812	1.3
111.04451	22.1
111.05228	1.1
117.03410	3.1
117.04124	0.6
119.04952	7.8
119.24094	0.5
121.02878	4.6
123.04430	1.6
126.03173	1.0
131.04993	0.6
131.08536	0.9
134.06026	0.6
135.04427	28.6
136.05267	1.3
137.02351	4.4
137.05971	1.3
139.03918	33.8
145.02812	3.0
147.04422	24.4
148.45210	0.6
153.01845	24.7
153.05431	0.9
163.03923	28.8
165.01859	2.3
166.02582	0.9
168.91403	0.5
173.06000	0.7
181.04967	6.5
183.02876	1.2
183.04391	1.0
187.03906	1.0
200.04684	1.0
201.05489	3.3
203.03415	2.5
204.04375	0.5
217.04951	5.8
218.05783	1.2
219.02890	0.9
219.59572	0.6
228.04234	5.0
229.04974	9.4
231.02841	1.7
245.04456	7.2
246.05244	4.0
247.05984	0.6
256.03796	0.8
257.04489	5.2
260.03238	1.0
264.42899	0.5
273.03943	5.9
274.04800	8.7
284.03256	0.9
285.03864	2.9
301.03455	9.1
302.04242	33.6
303.05020	86.4
304.05371	1.4
319.08200	3.6
327.05045	5.0
429.96619	0.5
437.08865	3.6
438.18845	0.6
454.38037	0.5
483.09244	100.0
484.09549	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
55.05504	3.4
57.03439	4.5
57.07063	2.5
64.55819	1.8
67.05513	3.5
69.03437	9.0
69.07065	4.0
69.36790	14.2
71.04964	2.0
73.02924	12.6
79.05516	9.3
81.03429	2.1
81.07065	17.1
85.02920	16.2
87.04456	2.8
91.05482	17.5
93.07053	100.0
95.04993	2.4
95.08611	7.7
97.02882	9.7
100.68589	2.1
105.07031	6.7
107.07887	3.3
107.08607	52.3
109.02857	1.8
109.06460	2.6
110.25643	1.9
115.03931	5.3
119.06065	2.0
119.08570	6.0
127.03873	3.3
133.04961	8.3
135.11711	88.8
137.13263	7.0
145.04971	6.2
146.03258	1.7
179.05550	2.6
304.05249	3.6
305.05453	3.2
306.05765	4.7
318.66599	1.8
489.93570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01874	3.8
55.05514	24.6
57.03448	2.9
57.07084	3.1
59.04990	3.1
67.05508	69.7
69.03425	4.5
69.07077	14.7
69.26418	25.2
71.04988	2.6
72.58070	2.4
79.05494	28.1
81.03419	6.7
81.07061	49.8
82.36170	2.5
83.05004	4.7
83.08612	14.7
83.80081	2.6
85.06548	3.8
89.06033	5.2
91.05491	29.7
93.07055	27.2
95.04973	11.4
95.08620	20.8
96.61143	3.0
97.06526	3.4
97.10188	5.3
105.07047	30.6
107.04958	8.6
107.08598	18.8
109.06522	11.8
109.10162	46.7
111.08092	7.4
114.30619	2.3
117.06974	6.2
118.94516	2.2
119.08587	21.4
121.06510	6.5
121.10165	13.0
123.08039	4.1
123.11740	4.1
125.09611	4.2
127.43491	2.5
129.07016	5.1
131.08600	11.7
133.08629	4.2
133.10172	21.7
135.08066	4.8
135.11737	7.2
137.09633	6.9
143.08536	3.4
145.10129	16.0
147.08070	5.6
147.11662	13.5
149.09650	12.6
149.13229	4.9
155.10693	7.2
157.10138	4.7
159.11754	9.9
161.09653	3.3
163.11205	13.4
165.12869	3.3
171.11700	5.0
173.11804	26.0
173.13165	6.6
175.11089	3.5
177.12856	3.8
189.11249	6.0
193.12262	3.0
223.13319	11.6
227.20020	3.7
239.17905	6.3
247.20645	2.8
249.15024	3.0
257.19025	11.7
275.20087	100.0
293.21146	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	482.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.3
57.94647	0.3
65.03957	0.4
67.05476	0.3
69.51086	1.9
79.05500	2.1
80.05042	0.3
81.07064	1.9
84.04515	0.9
85.02892	1.2
87.04441	0.4
91.05499	0.9
95.04969	0.4
106.06557	0.8
108.08139	5.5
115.05472	0.5
117.07047	0.7
118.06551	0.9
120.08066	0.5
128.06273	0.4
129.06987	0.6
130.06517	1.3
131.07346	0.4
134.09680	0.3
135.04456	0.3
136.07628	0.7
143.07312	1.0
143.08557	1.1
144.08096	18.2
146.09641	0.5
147.04387	0.6
152.07072	1.2
154.06555	1.9
155.07324	1.6
156.08083	0.8
158.09682	0.7
163.03966	0.9
166.08681	0.9
167.07307	0.7
168.08107	1.7
169.07603	1.6
169.08870	0.4
170.09659	8.3
171.09195	7.0
172.07581	0.5
172.11235	1.4
174.09184	0.5
180.08138	0.5
181.08855	0.4
182.09659	0.8
194.09686	0.7
198.56030	0.3
207.09015	0.4
207.10684	0.4
208.09955	0.9
220.09729	0.5
221.10762	12.9
222.11282	1.6
222.12833	2.4
223.12273	0.4
225.13875	1.1
234.11455	0.5
235.12422	0.5
236.13029	2.6
249.13931	4.7
251.15460	100.0
252.15724	1.8
254.13947	0.4
278.13718	0.4
296.11340	2.3
298.12875	0.4
302.59305	0.4
305.16501	0.4
335.17584	1.4
406.21436	0.5
406.28290	0.3
438.23804	0.4
450.20410	1.7
482.22968	6.6
486.40820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.4
55.01852	7.2
55.05516	23.4
57.03436	13.4
57.07040	2.5
58.12908	1.9
65.03918	3.0
67.05505	79.6
69.03410	6.7
69.07069	22.5
70.84794	3.2
71.04982	13.0
78.69984	1.7
79.05083	2.9
79.05497	47.3
79.36435	2.1
81.03416	50.6
81.07053	81.4
83.04974	17.5
83.08624	26.2
85.02448	2.9
85.02908	30.5
85.06539	11.6
91.05479	82.1
92.05780	2.9
93.06491	2.9
93.07043	38.0
95.04971	31.2
95.08597	17.3
97.02856	3.1
97.06515	8.0
97.10137	6.5
99.04453	3.4
105.04476	2.2
105.07030	71.4
106.07373	2.0
107.04986	8.6
107.07880	3.5
107.08597	52.7
109.06520	10.5
109.10156	81.8
111.04424	3.7
111.08067	14.8
113.05970	6.3
117.07024	4.6
119.08572	18.6
121.10155	9.2
123.08062	4.4
123.11718	13.7
125.09602	3.3
127.07546	5.9
128.06216	3.1
129.06998	10.7
131.08591	14.2
133.10133	100.0
134.10411	2.3
135.11670	5.0
137.05934	3.1
137.09610	2.2
142.07750	2.6
144.08057	9.4
145.10085	3.3
147.08022	3.5
147.11674	12.7
149.09628	5.7
151.09990	3.2
151.11182	54.5
157.10136	11.2
165.12720	2.0
169.12231	14.9
175.11206	15.7
179.10597	2.5
184.66740	1.9
193.12256	49.5
197.11589	2.3
211.13309	59.9
215.12752	3.7
253.14354	66.0
259.12012	2.0
267.15848	4.2
271.15375	3.7
305.05661	2.8
318.03888	2.2
320.07425	1.8
342.23611	1.8
463.14883	8.5
463.26752	6.1
481.16522	4.3
481.27881	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80260	0.6
69.03438	0.9
71.49197	0.7
71.49623	1.2
79.05463	0.8
85.02917	0.9
86.30685	0.6
91.05479	1.2
94.04179	3.5
95.95427	0.6
97.02892	0.9
107.04969	0.8
122.03663	8.5
131.04895	1.5
137.05988	100.0
137.24718	0.7
138.06366	1.4
144.08081	2.5
145.65358	0.6
149.05954	1.0
151.03972	1.4
151.07637	0.8
153.01913	1.0
158.09741	0.7
161.06004	2.9
163.03862	1.1
165.07028	1.8
167.07123	0.9
169.86151	0.6
170.09651	1.0
179.08553	1.1
181.06447	1.4
182.07170	0.8
193.06577	1.3
194.03035	0.7
194.07312	2.3
195.08133	0.9
205.06522	1.6
207.08130	1.2
208.03226	0.6
210.06702	0.7
211.07602	1.2
221.05965	2.1
222.06737	1.4
225.09189	1.0
226.96581	0.6
233.06110	0.7
233.91766	0.7
237.09140	2.3
249.09164	1.0
253.08669	0.9
257.08170	1.8
265.08643	6.2
267.10144	1.5
271.09674	0.8
277.08780	1.6
285.11218	7.4
297.11292	10.1
302.04141	1.1
303.05014	1.2
304.04886	1.6
309.11343	1.6
317.06546	3.7
318.06882	3.9
319.07156	7.7
401.14005	1.0
421.05505	3.6
421.16760	3.5
422.05582	0.7
433.16544	2.6
481.07565	1.1
481.24475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
65.03927	0.8
66.04717	1.3
69.03437	1.7
71.48611	1.0
73.02924	1.4
79.05489	1.2
81.07050	1.2
85.02911	2.4
91.05469	2.1
94.04185	3.8
97.02891	1.1
103.05473	1.2
107.04967	1.4
109.02830	0.9
109.06489	0.8
116.83567	0.6
122.03635	9.9
125.43787	0.9
131.04935	1.1
135.04440	1.7
137.05984	100.0
147.04413	1.6
149.05925	1.3
153.01866	5.8
161.06015	4.4
163.03969	2.1
163.07550	1.8
165.05762	0.7
165.07042	2.7
166.07765	1.6
167.03418	2.6
167.07030	2.2
175.07562	1.4
177.05534	0.9
177.06929	1.1
179.03354	0.7
179.08577	1.2
181.06625	0.7
182.07224	1.4
183.08072	1.1
191.07080	0.8
193.06479	1.7
194.07266	5.3
195.08112	1.1
205.06512	1.7
207.04536	0.7
209.09612	0.8
210.06830	0.9
211.07579	1.6
217.04959	1.5
219.07997	0.8
221.05972	3.0
222.06816	3.1
223.07344	0.8
225.09163	1.8
237.09103	3.4
239.06958	1.1
245.04512	1.4
250.06293	1.3
251.06923	1.0
253.08606	2.5
255.06308	0.7
265.08627	11.0
267.10266	1.6
269.08206	0.9
271.09656	2.4
272.10483	0.8
277.08640	0.9
282.08990	1.1
283.09680	1.7
285.11252	7.4
297.11227	13.2
309.11221	1.7
315.12286	13.9
319.04492	20.9
327.11942	0.9
391.67380	0.7
421.16550	1.0
433.16702	1.0
481.16766	1.0
481.26367	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	481.0979
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
55.01851	0.7
57.03429	0.6
61.02928	6.3
63.05732	0.4
68.99786	1.7
69.03423	1.1
70.74086	1.1
71.42157	0.4
73.02899	1.5
79.05476	0.6
81.03403	0.5
85.02900	5.8
91.03952	3.3
91.05449	0.7
94.04199	1.0
97.02898	3.5
107.04935	0.4
109.02870	1.9
111.00815	1.8
111.04453	0.6
122.03666	2.7
127.03864	1.1
128.30139	0.4
135.04381	0.6
137.02324	2.0
137.05983	28.8
142.30051	0.4
145.04979	0.7
147.04378	0.7
153.01834	11.6
156.51454	0.4
161.05963	1.5
165.01851	3.7
165.06908	0.7
166.02670	0.4
166.07729	0.6
167.03314	0.8
167.07048	0.5
177.05467	0.5
179.03363	1.6
183.02856	1.1
189.05501	0.8
193.06589	0.4
194.07263	1.4
195.02966	0.6
195.08093	0.4
203.03424	0.4
205.06512	1.0
207.02809	0.6
211.07509	0.6
217.04938	4.0
221.06041	0.7
222.06822	0.7
225.09094	0.7
227.03235	0.5
237.09036	0.9
244.03651	0.5
245.04482	4.7
250.06499	0.5
253.08580	1.0
255.02887	0.6
263.05493	0.5
265.08661	3.2
271.09637	0.8
273.03897	4.8
282.08771	0.4
285.11188	1.9
290.04263	1.4
297.11237	3.8
301.03409	1.3
315.12363	4.5
319.04492	100.0
320.04776	1.8
331.04614	0.6
338.04294	0.4
338.42471	0.5
341.37057	0.5
499.27277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80260	0.6
69.03438	0.9
71.49197	0.7
71.49623	1.2
79.05463	0.8
85.02917	0.9
86.30685	0.6
91.05479	1.2
94.04179	3.5
95.95427	0.6
97.02892	0.9
107.04969	0.8
122.03663	8.5
131.04895	1.5
137.05988	100.0
137.24718	0.7
138.06366	1.4
144.08081	2.5
145.65358	0.6
149.05954	1.0
151.03972	1.4
151.07637	0.8
153.01913	1.0
158.09741	0.7
161.06004	2.9
163.03862	1.1
165.07028	1.8
167.07123	0.9
169.86151	0.6
170.09651	1.0
179.08553	1.1
181.06447	1.4
182.07170	0.8
193.06577	1.3
194.03035	0.7
194.07312	2.3
195.08133	0.9
205.06522	1.6
207.08130	1.2
208.03226	0.6
210.06702	0.7
211.07602	1.2
221.05965	2.1
222.06737	1.4
225.09189	1.0
226.96581	0.6
233.06110	0.7
233.91766	0.7
237.09140	2.3
249.09164	1.0
253.08669	0.9
257.08170	1.8
265.08643	6.2
267.10144	1.5
271.09674	0.8
277.08780	1.6
285.11218	7.4
297.11292	10.1
302.04141	1.1
303.05014	1.2
304.04886	1.6
309.11343	1.6
317.06546	3.7
318.06882	3.9
319.07156	7.7
401.14005	1.0
421.05505	3.6
421.16760	3.5
422.05582	0.7
433.16544	2.6
481.07565	1.1
481.24475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3092
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
55.05308	1.4
55.05523	13.0
56.51995	1.2
57.03442	4.0
57.07080	4.4
62.06099	31.2
66.21169	1.5
67.05512	11.8
69.07080	15.4
70.94481	1.8
70.94841	3.0
79.05499	6.5
79.85313	1.4
81.07063	14.9
82.72270	1.9
83.08635	10.9
93.07056	7.8
95.08617	12.5
97.06528	2.3
97.10184	8.2
98.98474	6.3
107.08595	6.0
109.10164	4.2
121.10133	5.7
124.01570	2.0
135.11707	5.2
155.01054	6.8
185.87054	1.4
207.08141	2.0
216.06363	4.2
265.25345	3.9
304.05283	2.4
308.29486	17.0
339.29001	100.0
340.29398	1.5
357.35068	1.8
419.25766	3.0
424.99179	1.7
462.29901	2.0
480.37164	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	27.9
57.06834	8.3
57.07082	99.2
58.86369	6.8
67.05498	21.8
69.07079	56.8
69.15222	56.1
69.15642	17.8
71.08640	90.0
79.05488	22.5
81.07066	50.5
81.74899	6.7
83.04998	13.9
83.08616	32.1
85.10181	62.6
93.07030	35.5
95.04922	10.0
95.08649	35.6
97.06550	7.4
97.10158	23.5
99.08078	7.5
101.06026	41.6
107.08589	30.8
109.06525	9.4
109.10156	26.6
111.11716	23.2
121.10134	27.9
123.11720	10.8
125.06019	12.7
127.07577	85.8
129.05495	100.0
135.11717	18.9
139.07529	13.4
143.07033	9.6
149.13280	12.1
153.09088	7.5
153.12776	6.8
163.14861	17.4
177.16364	9.2
237.22108	14.3
289.28781	10.4
307.29938	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01882	10.6
55.05502	1.7
57.03438	27.6
57.47549	1.8
59.04993	4.8
60.04497	2.2
61.02923	15.3
67.05495	3.6
69.03435	53.5
69.07072	63.6
71.01345	5.3
71.04998	2.7
73.02922	100.0
74.36697	1.7
81.03424	5.3
81.07063	17.5
83.04977	2.6
85.02909	97.3
87.04462	5.6
91.03973	1.9
95.04957	1.9
95.08595	5.0
97.02893	82.2
99.04428	4.4
102.77224	1.7
103.03920	4.8
107.08573	3.2
109.02873	8.3
109.10172	10.1
115.03937	46.5
121.10126	2.7
123.11713	91.7
127.03922	38.2
133.04974	54.1
145.04967	46.3
151.11188	80.0
157.04958	1.8
162.07576	1.9
163.06017	14.7
169.12225	8.9
180.08673	3.0
181.04932	2.0
183.55856	1.9
193.04967	4.1
199.05901	3.1
200.01721	2.1
223.05968	6.3
241.07060	10.8
259.08118	8.7
265.14304	2.1
283.15381	29.3
313.16541	2.1
329.09711	2.1
339.20740	1.9
366.36661	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.6
56.99347	5.8
57.07071	77.4
60.36332	4.8
69.07069	10.9
71.04988	14.4
71.08629	69.9
71.50539	9.1
77.20358	5.5
79.05470	6.5
81.07056	23.4
83.08620	13.1
85.10181	43.6
86.08527	5.4
89.06041	37.7
91.05521	6.6
93.07076	9.7
95.08593	14.6
97.10175	6.6
99.11710	6.0
105.07008	6.2
106.56139	5.1
107.08582	11.5
109.10189	11.9
110.32249	5.2
121.10155	8.5
121.81637	5.1
125.06000	63.4
128.46880	5.8
133.10095	8.2
135.08081	7.7
137.05930	7.3
139.07579	8.3
141.05486	12.9
147.08025	6.5
151.07568	30.9
153.05478	100.0
153.09090	6.6
163.07526	6.1
165.09181	32.3
167.06969	8.3
177.09161	16.9
179.10695	14.4
195.10187	6.4
205.12350	8.2
223.13206	5.8
228.21837	6.0
251.16315	12.9
279.19525	8.8
293.21039	8.5
304.02713	6.0
335.25568	5.7
419.35129	47.5
428.14197	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	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01875	6.5
55.05518	30.8
57.07084	23.7
65.03937	2.8
67.05511	22.0
69.07075	60.7
69.15585	9.8
69.16006	18.2
71.05000	22.4
71.08633	17.1
75.11936	2.2
79.05498	14.5
81.07062	96.8
83.08628	37.1
85.10189	6.1
88.04637	3.0
89.06030	11.7
91.05486	6.3
91.94532	2.3
93.07072	13.9
95.08613	62.3
95.09189	4.8
97.06483	3.7
97.10175	34.7
98.21619	4.9
99.04458	7.7
99.08098	2.7
102.77065	2.2
105.07067	4.4
107.04979	4.8
107.08587	9.6
109.06494	14.4
109.10176	33.7
111.08074	5.6
111.11736	21.6
113.06007	3.1
119.08612	6.4
121.10172	8.3
123.08045	5.1
123.11701	28.2
125.06002	84.1
125.13309	7.9
127.03935	31.7
133.08656	4.9
133.10136	4.5
135.11736	5.8
137.05983	100.0
137.13266	10.8
139.07565	5.8
139.14804	3.4
145.10078	3.0
147.11710	3.1
149.05948	5.1
149.09561	3.5
149.13277	5.6
151.07545	9.4
151.14822	8.5
159.11717	7.1
161.13251	5.5
163.14877	4.5
165.05411	2.7
167.07062	49.9
171.11673	6.0
173.13368	2.9
175.11241	8.1
175.14769	2.5
177.09151	7.8
177.16371	3.6
185.13297	3.0
189.12799	4.6
198.10338	3.3
199.11182	3.2
203.14432	4.4
205.96144	2.9
213.12762	7.9
219.13890	6.0
283.29865	3.3
303.04901	5.8
317.32098	3.2
335.33276	6.9
383.32980	6.3
397.34808	6.0
401.34311	3.6
415.35651	4.1
419.35190	3.8
425.34131	5.7
443.35403	7.8
461.36237	9.7
479.37006	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.3
50.69092	1.3
50.83089	1.3
53.03949	8.1
55.01864	4.7
55.05241	1.5
55.05509	24.7
57.03437	11.9
57.07071	3.4
59.05003	1.2
65.03940	4.4
67.05506	75.5
69.03428	3.3
69.07072	27.7
69.32353	1.4
70.54726	1.4
70.55053	3.5
71.04990	9.1
79.05014	2.0
79.05492	56.5
81.03424	46.7
81.07056	100.0
83.04977	18.1
83.08623	27.6
85.02911	23.7
85.06540	3.8
91.05485	60.9
93.07045	64.8
95.04968	27.9
95.08612	29.2
97.02898	3.1
97.06535	14.4
97.10155	5.9
99.08092	2.3
105.04562	1.5
105.07030	32.0
107.04945	6.8
107.08592	38.4
109.06535	6.1
109.10168	6.9
111.04391	1.4
111.08083	14.6
113.06003	2.4
117.07011	10.9
119.08593	24.1
121.06516	4.2
121.10149	21.6
121.86378	1.2
123.08095	4.1
123.11736	5.7
125.09627	2.8
127.07523	1.6
128.06230	1.5
129.07008	9.7
131.08578	20.3
133.06508	1.8
133.10141	16.8
133.26472	1.4
135.08086	2.3
135.11671	7.8
137.09674	3.4
139.11230	1.7
142.07742	1.7
143.08559	2.5
145.10088	7.6
147.08052	3.0
147.11687	14.3
149.09645	6.6
149.13254	27.5
151.11229	1.9
157.10121	11.0
159.11679	9.8
161.09673	2.0
163.11179	2.1
165.12743	3.0
168.57057	1.6
169.10155	1.9
175.11176	12.1
177.12769	2.9
183.82805	1.4
193.12250	44.8
195.13797	10.3
199.14792	1.7
211.13300	52.0
219.13777	1.8
255.86137	1.4
267.15912	6.9
269.17508	5.4
296.99594	1.7
303.05008	14.5
341.24707	2.3
351.23221	1.8
357.54306	1.3
359.25574	1.6
361.23557	2.0
369.24304	4.0
387.25488	5.5
407.84784	1.5
419.54636	1.6
443.28000	3.4
461.28952	13.1
479.30069	70.3
480.30722	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	479.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.0
55.05519	40.8
55.74711	3.8
57.07078	29.4
67.05516	32.2
69.07076	65.5
69.38365	6.9
69.38770	25.6
71.05003	22.7
71.08630	14.3
75.89523	3.1
79.05494	12.3
81.06593	5.9
81.07069	100.0
83.04998	8.3
83.08632	49.3
85.10194	12.0
89.06036	15.9
93.07052	16.1
95.08620	72.3
97.06602	3.9
97.10177	38.6
98.20809	8.5
99.04454	14.0
105.07030	4.9
107.08605	11.9
109.06532	15.9
109.10171	42.8
111.11739	26.1
113.06013	4.7
119.08588	5.9
121.10162	14.1
123.08109	4.5
123.11717	32.9
125.06005	80.9
125.13250	7.4
127.03958	25.0
133.08612	7.8
133.10139	7.6
135.11769	6.0
137.05998	97.5
137.13252	15.0
137.78526	3.6
143.08510	3.9
145.10188	4.7
147.11690	3.8
149.09566	7.6
149.13301	8.5
151.07603	6.6
151.14871	7.7
153.16339	3.4
157.10022	4.0
159.11731	4.9
161.13280	7.1
163.14865	4.9
165.16423	4.8
167.07069	56.0
171.11681	7.6
173.13226	3.9
174.16472	3.9
175.09349	3.5
175.11061	4.2
177.12766	5.9
185.13332	4.5
187.11281	4.5
191.10672	5.1
198.10474	6.6
207.13786	4.1
213.12778	9.8
217.60909	3.6
219.13844	7.5
230.77425	3.1
303.05032	15.6
317.32031	5.9
335.33109	7.8
383.33133	5.4
397.34528	9.1
401.34131	7.7
443.35156	5.0
461.36420	5.0
479.37573	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.8
53.03940	6.0
55.01866	5.7
55.05513	27.6
56.05867	2.0
57.03440	20.2
57.07058	2.7
59.52277	2.1
62.35316	2.0
65.03937	4.4
67.05506	82.3
69.03427	5.2
69.07066	27.8
69.37594	15.4
71.04993	9.7
71.44552	2.3
76.73743	2.0
79.05495	64.4
81.03419	53.1
81.07059	100.0
83.04982	20.8
83.08623	35.7
84.17292	2.4
85.02910	33.0
85.06533	4.6
91.04905	3.7
91.05479	61.6
91.06028	4.3
93.07045	75.4
95.04971	31.8
95.08607	32.6
97.02901	4.5
97.06526	13.4
97.10162	6.6
98.20702	3.5
99.08105	3.2
105.04569	2.3
105.07031	30.7
107.04970	9.0
107.08603	39.3
109.06541	5.7
109.10164	7.4
111.04385	2.3
111.08090	18.1
113.06011	2.6
113.47533	2.2
117.07003	10.2
119.08583	23.3
121.06486	4.6
121.10166	20.0
123.08075	3.7
123.11700	5.0
125.09628	4.5
129.07001	12.5
131.08566	20.5
133.06549	2.7
133.10138	21.1
135.11713	7.5
137.09575	2.1
142.07857	2.8
145.10118	3.5
147.11679	17.8
149.09627	7.8
149.13261	33.9
151.11234	2.9
157.10110	14.2
159.11694	15.7
167.14301	2.7
171.11780	2.3
175.11169	15.3
177.12788	6.7
193.12250	58.4
195.13800	15.1
211.13289	65.1
213.14880	2.4
223.27931	2.6
249.14929	2.0
267.15851	5.6
269.17435	4.6
303.05078	8.8
352.46298	2.1
369.24225	4.0
387.25241	3.3
417.26758	2.7
423.91071	2.1
461.29037	13.3
479.30072	92.9
485.85455	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	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42192	1.9
53.03952	9.5
55.01870	5.9
55.05516	29.7
57.03440	15.6
65.03936	5.9
67.05508	90.5
69.03416	4.3
69.07071	26.2
69.93316	5.1
69.93701	4.9
71.04980	7.8
77.03915	1.9
79.05495	70.1
80.05859	3.0
81.03427	46.7
81.07057	100.0
83.04980	19.2
83.08623	30.0
85.02910	25.0
85.06522	5.6
91.04921	3.0
91.05482	55.2
93.07047	70.4
95.04980	28.6
95.08608	29.3
97.02885	2.8
97.06526	14.6
97.10194	3.4
98.20831	2.7
99.08076	3.7
105.07036	33.1
107.04974	9.1
107.08595	36.6
109.06519	9.2
109.10168	7.3
111.04461	3.8
111.08100	17.3
113.06010	3.0
115.05511	2.6
117.07030	11.7
118.23142	2.3
119.08590	22.9
121.06521	5.9
121.10149	21.9
123.08079	2.5
123.11716	5.6
125.09667	3.0
129.07054	12.3
131.08577	20.7
133.06467	2.1
133.10149	23.6
135.08046	4.1
135.10829	2.0
135.11662	11.7
139.11214	2.8
142.07774	3.2
145.10138	3.4
147.11697	14.4
148.64630	2.3
149.09639	8.6
149.13274	29.3
151.11131	2.7
157.10141	11.0
159.11725	12.5
160.07915	2.0
165.12773	2.3
173.09663	2.8
173.13303	2.4
174.64998	2.1
175.11169	16.0
177.12787	3.8
193.12262	49.8
195.13799	10.7
196.68520	2.0
211.13287	51.0
251.02908	2.0
267.15979	7.8
269.17584	7.1
303.05035	15.3
369.24133	2.4
461.29019	7.9
479.30124	74.1
480.30597	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.99868	0.6
53.03941	0.8
56.99604	0.5
57.03430	0.8
61.02915	1.2
69.03436	3.7
69.87853	2.7
71.04984	0.6
73.02898	0.8
81.03421	1.3
85.02437	1.0
85.02908	11.0
91.03925	0.6
92.02621	1.0
93.03402	1.2
97.02890	3.6
98.20731	0.6
109.02889	1.0
121.02821	0.9
122.60038	0.5
127.03910	1.9
137.06015	1.0
139.03880	0.9
145.04948	1.9
153.01839	8.1
201.05476	1.0
217.04959	0.7
218.05936	0.6
228.04207	1.6
229.05049	3.2
245.04420	0.8
246.05301	1.6
257.04468	1.9
273.03992	2.3
274.04761	4.5
284.03287	0.6
285.03909	4.0
301.53455	0.5
302.04227	12.1
303.04901	2.6
317.06567	100.0
318.06985	1.5
329.06778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93754	2.5
53.03946	6.0
55.01872	8.3
55.05281	2.8
55.05521	33.8
56.05848	5.1
57.03441	8.4
58.07888	2.5
60.81453	2.7
65.03927	4.6
66.28561	2.9
67.05510	40.9
68.99766	4.8
69.03413	8.2
69.07057	10.5
70.98931	3.4
70.99257	3.3
71.01359	4.1
71.04974	5.2
73.02919	5.7
79.01866	4.5
79.05500	44.2
80.05835	5.6
81.03431	17.5
81.07059	46.0
82.03771	3.8
83.04970	9.8
83.08617	12.8
85.02895	12.0
85.06586	3.6
91.05485	39.9
92.05820	3.6
93.07061	33.7
95.04963	16.8
95.08624	17.1
97.02886	4.7
97.06520	8.4
97.10176	12.7
98.10472	3.8
100.07611	4.1
100.11236	6.7
102.77377	3.3
103.05468	9.4
104.06240	6.5
105.04515	3.4
105.07039	48.0
107.04961	18.1
107.08614	18.2
108.08905	3.6
109.02905	3.5
109.06516	12.2
109.10146	9.8
111.04424	8.4
111.08089	5.6
113.02328	5.4
115.05447	6.3
117.07028	12.1
118.07349	3.6
119.04935	11.5
119.08575	14.8
120.08881	4.1
121.02852	4.2
121.06503	18.5
121.10131	9.7
123.08057	4.4
123.11705	6.0
125.02340	5.9
125.09647	8.2
126.10007	4.2
129.07002	6.3
131.04916	16.8
131.08543	10.8
132.05725	5.9
133.06516	28.1
133.10141	11.5
134.06848	3.7
135.08038	10.6
137.02341	10.1
137.05972	8.6
139.03912	6.6
143.08566	7.2
145.06561	4.8
145.10068	4.2
147.04422	8.5
147.11687	9.6
149.05965	11.8
149.09663	3.7
151.03918	3.4
151.07555	9.1
152.06192	5.9
153.01831	33.3
153.09091	3.6
159.04391	5.3
161.05984	33.3
161.09631	4.7
163.03893	11.3
163.07626	3.8
163.11211	3.9
165.01866	8.7
165.07028	9.1
165.09082	7.1
165.12721	3.7
167.03374	6.2
167.07213	4.3
167.08606	11.1
169.06468	4.5
171.10144	3.5
173.09644	4.2
175.07526	4.3
175.11188	5.7
176.63228	2.7
177.05498	5.5
177.06981	4.8
177.09106	3.8
178.07793	4.2
178.40219	3.0
179.03383	3.2
179.07101	5.7
181.01288	29.4
182.15431	8.4
183.02873	7.3
183.08081	5.3
184.60300	3.0
187.03918	5.1
189.01767	5.5
189.05479	8.8
189.11201	8.8
191.03404	10.4
191.06955	3.4
191.10588	3.7
193.01367	16.0
193.06506	8.1
193.08501	4.4
193.12244	6.0
195.08090	17.6
197.06032	5.3
199.03978	4.7
205.04881	5.8
205.06546	7.9
207.02876	3.6
207.08112	7.2
209.00867	17.6
209.06018	5.1
210.06691	3.0
210.14954	13.4
211.02364	8.0
211.07541	10.5
211.13344	3.9
213.05511	3.8
217.01312	7.9
219.02910	7.5
219.06488	4.7
221.06059	21.0
221.07878	5.2
223.02417	14.1
223.07542	19.7
225.05571	3.9
225.09213	3.7
227.07050	5.0
229.04933	8.3
231.02945	4.8
233.05952	8.0
234.15405	3.3
235.02426	15.6
235.07536	5.6
239.07082	19.4
241.08640	8.7
243.15858	4.5
245.00754	5.9
249.00278	19.1
249.05447	12.2
251.07082	22.5
253.05157	5.0
253.08490	3.8
255.02997	8.4
255.06409	4.7
257.04498	22.8
263.01849	11.3
265.04855	3.6
267.06549	48.0
268.07141	5.6
269.05048	6.0
269.08087	23.5
271.02451	3.1
271.05896	6.2
277.05026	7.4
279.06537	22.8
281.04730	4.1
281.08127	6.2
283.02328	13.4
283.05713	5.2
285.03873	3.3
285.07635	8.4
289.03500	4.1
291.01309	11.9
295.05991	58.8
296.06702	4.1
297.07574	40.7
299.05518	4.5
299.08978	4.5
303.05011	100.0
305.04257	9.1
307.06088	23.6
308.02856	4.2
309.03958	4.3
313.07056	36.2
315.05234	4.6
317.06458	4.8
323.01712	5.2
323.05518	99.5
325.07013	38.2
327.08664	8.2
333.03925	5.3
341.06577	79.9
343.08224	12.0
351.04999	83.4
352.05444	4.2
353.06775	4.4
355.08163	23.2
357.09747	10.2
359.07660	5.2
368.23035	8.0
369.06067	72.8
369.23563	9.3
373.09042	10.2
379.04559	7.8
383.07663	26.0
386.24060	8.6
387.07114	8.6
387.24603	11.2
397.05634	19.3
401.08694	19.3
405.25400	3.7
411.06970	6.5
415.06705	9.8
436.31702	8.3
443.26694	3.5
460.27521	5.1
461.16315	6.2
461.28180	13.0
478.28748	3.4
479.16824	7.2
479.29590	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	479.0825
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.03441	0.8
63.11334	0.3
65.00320	0.3
68.99788	0.5
70.78278	0.9
71.01345	1.7
73.02917	2.8
83.01330	0.5
85.02912	8.6
95.01344	1.1
95.61292	0.3
96.81570	0.3
97.02871	0.6
99.00806	0.8
101.02374	0.7
103.03959	0.6
109.02916	0.4
111.00822	0.9
113.02370	4.1
121.02861	0.6
131.03392	1.1
137.02379	3.0
140.40138	0.3
141.01839	1.4
149.02274	0.5
153.01830	3.0
159.02934	2.1
163.03867	0.6
165.01816	1.7
173.05989	0.6
183.02905	0.6
187.04004	0.4
201.05501	1.6
229.04982	3.2
249.12747	0.3
257.04492	2.1
274.04755	0.4
275.05585	0.4
285.03839	1.3
303.05026	100.0
304.05316	2.8
315.05173	0.3
492.94080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2934
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05520	11.5
56.26568	1.9
57.03447	3.4
57.07075	2.0
62.06096	28.3
67.05515	29.8
69.07076	13.7
79.05525	9.4
81.07055	26.7
83.08634	7.3
84.24460	1.7
91.05486	4.5
93.07059	11.5
95.08622	19.0
97.34846	2.0
98.98460	7.6
104.99841	1.9
105.07040	4.1
107.08591	5.0
109.10141	6.2
121.10161	4.0
123.11709	3.5
128.81160	1.8
133.10127	3.4
135.11670	3.9
155.01031	4.9
177.16394	2.3
216.06383	4.3
245.22697	3.6
263.23758	6.8
306.27954	18.9
337.27408	100.0
338.27625	3.0
478.29425	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	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03944	1.0
53.92711	0.5
55.01857	0.8
55.05513	11.5
57.03439	7.4
57.07068	1.7
59.39411	0.4
65.03948	0.5
67.05506	27.1
67.36733	0.5
67.90379	0.5
69.07071	15.2
69.37019	4.2
69.37431	0.9
69.37592	0.5
71.04990	0.8
71.08598	0.6
72.50288	0.5
79.05494	7.1
80.52846	0.6
81.07056	28.3
83.08621	8.1
85.06561	1.0
91.05481	4.7
93.07045	7.8
95.04952	0.7
95.08610	20.1
97.06554	1.5
97.10183	3.0
100.64264	0.5
101.71654	0.5
105.07026	3.4
107.08595	5.1
109.10159	7.5
111.08075	0.8
111.11706	0.6
119.08588	3.4
121.10154	2.3
123.11696	2.3
133.09259	0.6
133.10143	2.8
135.11693	1.7
137.13242	0.9
147.11710	1.5
149.13304	0.9
161.13266	0.8
163.14859	0.8
175.14853	0.7
190.69615	0.5
198.05269	0.6
205.59599	0.5
263.23544	0.9
279.73605	0.5
306.27841	2.6
337.27374	100.0
338.27661	3.3
346.52090	0.5
377.12051	0.5
479.30121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01884	2.1
57.03429	2.0
58.99583	10.5
60.91043	1.7
61.02932	2.4
67.05514	2.2
69.03432	14.3
69.75857	8.3
70.93900	2.2
71.24107	1.8
76.02243	4.2
79.05499	7.9
80.05018	7.8
81.03428	12.4
82.06560	2.1
85.01141	6.4
85.02918	25.8
86.00675	12.0
86.99070	9.0
88.03960	2.0
88.84789	2.1
95.04999	14.1
97.02902	12.5
98.20840	3.1
102.03788	4.7
103.05499	2.5
105.00130	4.2
106.06573	32.7
107.04990	9.5
109.02893	8.4
111.86420	2.3
114.13879	2.0
118.78676	2.0
119.04961	3.3
120.08118	7.0
121.06502	4.8
122.02705	7.5
123.04440	7.4
124.03963	64.8
125.02369	11.2
126.05527	5.2
127.03938	6.1
127.87259	2.0
130.06555	2.0
131.01718	4.3
131.04953	3.2
132.01164	9.5
138.03775	3.3
140.03404	4.0
145.04980	4.2
147.04366	3.4
148.04315	4.7
148.07608	7.0
148.34111	2.3
149.06027	3.7
151.03928	39.6
152.10713	10.1
153.05472	2.9
153.75815	1.9
166.08855	2.2
168.90620	2.0
176.07092	5.5
177.05463	2.3
182.02705	11.3
184.04321	15.0
186.05943	4.8
195.06561	5.9
204.25700	2.1
208.04260	3.1
209.04341	2.1
210.05865	41.9
212.07362	2.9
224.07436	2.9
226.09085	3.7
228.03299	32.0
230.04877	12.1
246.04539	2.2
252.06947	18.5
254.08514	14.7
261.95740	2.3
270.07996	2.0
272.09528	2.3
280.06424	27.0
298.07483	100.0
316.08530	50.9
316.12347	3.1
478.13724	12.0
478.20761	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66031	7.0
53.03960	6.0
55.01871	9.1
55.05503	15.5
59.04995	7.4
67.05505	54.5
68.05856	10.0
68.78812	6.4
69.07050	12.9
69.97262	5.2
70.06580	7.4
71.49983	9.2
77.09425	5.8
79.05492	30.6
80.05822	10.1
81.03416	11.9
81.07066	56.2
82.07380	10.1
83.04979	10.7
83.08627	12.7
86.32081	6.1
88.07622	9.1
91.05467	28.9
92.05830	8.3
93.07036	38.6
94.07383	6.6
95.04948	11.9
95.08611	20.8
97.06544	8.1
98.21243	6.1
105.07027	21.8
107.04964	8.8
107.08604	24.5
108.08894	9.0
109.10123	13.5
111.08036	6.2
117.06998	12.5
118.93035	6.4
119.08567	10.8
121.06510	7.5
121.10172	19.4
123.08065	7.2
126.85556	5.9
129.06975	6.2
131.08588	17.7
133.10126	12.4
135.11734	10.7
136.20169	6.0
138.06712	7.7
145.10127	8.0
149.13229	7.4
150.13658	6.7
154.06245	8.2
159.11665	7.5
159.60927	5.9
163.11185	10.8
166.06288	12.1
169.08626	15.4
173.09654	12.5
181.08609	46.0
182.59360	5.7
193.12312	8.4
195.10187	9.3
197.08177	11.2
200.20088	44.4
201.09129	7.4
203.14331	10.8
209.11797	10.3
216.11526	52.7
219.17444	58.7
232.10963	13.4
247.13329	100.0
265.14359	29.4
303.04953	25.0
460.27689	7.1
478.28854	44.4
478.39056	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.7
56.43423	1.2
57.03424	1.4
57.07082	31.4
60.45507	1.3
67.05529	8.4
69.07072	22.8
71.08634	23.5
71.49077	2.1
79.05495	7.6
81.07063	19.4
83.08632	14.1
85.02885	2.0
85.10191	11.0
91.05480	4.6
93.07043	7.7
95.04981	1.6
95.08611	16.1
97.06540	3.7
97.10182	10.2
99.04459	4.8
105.07031	6.3
107.08611	7.3
109.06544	11.8
109.10167	6.2
111.08068	2.6
111.11720	4.7
114.32005	1.2
117.07014	1.7
119.08597	3.8
121.06508	3.2
121.10144	4.1
123.08079	11.4
123.11727	3.0
125.06030	12.7
125.09616	2.5
125.13276	1.9
125.38788	1.5
127.07566	30.0
131.08560	2.5
133.10136	4.0
135.08069	2.6
135.11723	1.8
137.06026	3.6
137.09608	2.9
139.07550	100.0
147.11685	1.9
149.05974	3.0
149.09625	3.3
149.13289	2.0
151.07547	9.2
161.09619	2.9
163.07567	3.3
163.11169	1.4
163.14827	1.6
165.09134	1.8
167.07022	3.9
175.11337	1.5
175.14850	2.1
177.09113	11.0
201.73042	1.7
201.81357	1.4
249.14789	1.6
290.76993	1.6
301.28940	3.9
319.29993	8.2
347.33124	12.6
365.17700	1.7
371.37088	1.6
373.31137	7.1
399.36288	3.7
403.35840	2.1
417.37259	14.5
427.35635	3.7
445.36786	28.3
459.38849	1.4
477.17807	1.7
477.33929	1.8
477.39432	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85134	2.2
55.01880	16.7
55.05515	74.8
57.03444	14.4
64.13969	2.5
65.03939	6.2
67.05512	75.2
69.03433	12.0
69.07076	19.0
70.03855	2.4
70.94352	3.8
70.94690	3.2
71.04996	10.9
79.05502	81.8
81.03430	91.9
81.07066	74.2
83.04998	21.3
83.08620	47.3
85.02922	15.5
85.06557	6.0
91.04912	3.8
91.05489	78.6
93.07053	53.7
95.04977	42.8
95.08620	38.2
97.06553	12.2
97.10178	51.3
99.08105	3.6
103.05471	7.2
105.07040	56.4
107.04958	40.9
107.08608	37.8
109.06521	17.5
109.10173	19.7
111.04449	3.6
111.08090	16.3
113.06046	3.4
113.42342	2.3
115.05471	4.8
117.07024	20.7
119.08600	33.1
121.06512	29.4
121.10138	13.4
123.04446	4.1
123.08107	12.9
123.11732	3.3
125.09634	32.9
125.36176	3.0
128.06206	4.5
129.07037	25.9
131.04955	8.2
131.08592	31.5
133.06497	15.2
133.10139	26.7
135.08069	16.7
135.11687	5.2
141.07031	7.6
142.07776	3.6
143.08540	12.7
145.06508	21.7
145.10138	14.0
147.08073	13.7
147.11694	24.5
149.09683	12.6
151.07582	3.4
151.11183	4.2
153.09123	9.5
155.08641	6.0
155.10645	3.3
157.06480	4.6
157.10138	17.6
159.08075	8.2
159.11693	6.9
161.05904	3.5
161.09695	3.9
163.11252	5.8
165.07108	3.5
165.12801	6.2
167.08652	3.1
169.10155	5.1
171.08081	6.6
171.10204	6.8
171.11589	4.5
173.09642	6.5
175.11214	18.6
177.12701	4.0
181.10165	5.0
183.08113	2.9
185.13280	5.3
187.11195	5.0
187.14799	2.7
189.11255	20.8
189.12839	6.1
191.10855	3.0
193.12257	59.0
195.11731	5.3
195.31082	2.6
197.13260	2.6
199.11240	6.1
201.12869	3.0
211.11287	4.7
211.13240	27.7
213.12785	8.1
215.14342	5.9
217.12352	7.0
219.13940	3.1
223.13278	3.0
225.12994	3.5
227.12627	14.0
231.13815	4.4
233.15387	21.7
235.13316	5.2
237.12695	4.4
239.14230	2.8
241.14467	3.7
245.15350	4.3
249.14972	6.1
255.13911	5.8
259.13367	3.1
261.15012	2.7
267.15933	23.0
271.17001	3.8
273.14850	18.9
275.16495	3.9
285.17160	3.1
287.16382	3.9
289.86475	2.7
291.15900	3.7
321.16306	2.8
339.23273	10.6
349.21661	20.9
357.24344	11.5
367.22684	57.8
375.25516	4.0
385.23782	100.0
386.24310	3.9
403.24896	26.4
433.25702	4.1
441.26389	7.3
459.27460	92.3
477.28506	95.7
478.29037	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	477.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.5
55.01871	16.5
55.05273	6.1
55.05519	68.4
57.03440	13.4
67.05512	66.2
69.03433	12.6
69.07063	15.2
71.04985	5.2
72.81366	3.3
75.14212	5.0
79.05502	81.5
79.42461	3.8
81.03425	48.7
81.07067	54.6
83.04991	9.5
83.08627	35.6
91.05486	48.6
93.07065	40.8
95.04977	30.7
95.08611	29.5
97.06532	8.4
97.10181	55.4
105.07037	38.7
107.04970	36.0
107.08614	38.4
109.06499	12.2
109.10152	15.1
111.08041	4.7
115.05468	7.7
117.07027	30.8
119.04921	4.7
119.08584	19.8
121.06502	31.6
121.10163	11.6
123.08056	12.3
125.09644	43.0
129.07005	20.3
131.08604	22.2
133.06508	17.1
133.10133	9.9
135.08109	9.0
135.11674	4.5
141.07011	5.7
142.88191	3.9
143.08575	12.3
145.06482	21.2
145.10132	15.8
147.04387	4.2
147.08063	15.2
147.11708	10.3
153.09088	8.8
153.12788	4.7
155.08614	7.0
157.06517	10.5
157.10167	14.7
159.11740	6.0
161.09627	8.3
163.11218	7.2
169.10155	9.2
171.08038	8.7
171.10211	6.0
171.11676	10.5
175.11211	11.4
183.11729	5.2
185.09557	6.7
185.13234	5.9
189.11229	21.3
189.12749	8.7
193.12247	33.3
199.11246	5.0
205.12302	4.1
209.11702	3.9
211.13310	6.7
213.12822	4.5
215.14384	5.5
227.12808	14.0
233.15382	18.2
237.12848	4.4
241.14294	6.6
245.15323	6.0
249.14894	8.8
259.13199	4.3
263.16592	4.9
267.15912	23.9
273.14810	15.3
275.16614	5.1
287.16357	5.5
291.16138	4.7
339.23129	7.8
341.21082	8.9
349.21677	14.2
357.24222	21.6
367.22708	43.0
385.23816	86.8
403.24902	38.0
404.25443	4.6
433.25745	6.5
441.26300	6.7
459.27490	100.0
460.27625	4.0
462.86301	4.4
477.28491	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	476.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	23.8
57.03448	4.3
57.07062	4.3
58.81148	2.7
61.02942	4.6
65.03958	3.3
67.05508	86.4
69.07069	26.4
69.31986	4.4
69.32391	20.3
71.04985	5.2
73.48282	3.2
79.05082	3.4
79.05502	37.6
81.07063	100.0
82.07391	2.7
83.04989	4.1
83.08625	14.5
85.06583	6.5
91.05492	24.8
93.07047	39.6
95.04991	5.6
95.07994	4.1
95.08614	82.2
97.06528	8.3
97.10171	10.4
99.08126	4.2
105.07063	15.0
107.05000	5.7
107.08604	26.8
109.10160	45.9
110.75793	2.7
111.08092	9.3
117.07040	10.5
119.08614	14.9
121.10162	39.3
123.11730	14.5
125.09701	3.7
131.08530	14.6
131.76883	2.7
132.52271	3.2
133.10165	16.0
135.11705	28.0
137.09714	3.2
137.13252	5.3
139.11153	4.6
145.10126	19.5
147.11708	12.2
149.09715	3.0
149.13260	14.6
151.11324	3.9
153.12715	3.1
159.11720	11.5
161.13254	11.0
163.11252	6.9
165.12845	3.6
171.13887	2.7
173.13287	6.5
175.14847	5.3
177.16530	3.8
179.14273	3.6
187.14890	6.1
205.15747	2.8
209.15579	3.3
243.21060	14.7
261.22141	48.2
279.23212	55.0
297.24292	49.5
303.23227	22.5
321.24240	89.0
322.24728	3.2
339.25372	4.7
369.12753	3.1
399.27460	91.8
477.28653	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	477.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.6
55.05519	36.2
57.03447	7.3
57.07070	3.1
59.04994	3.6
65.03938	4.1
67.05515	79.1
69.03442	2.7
69.07077	22.9
69.92182	4.7
71.01341	2.6
71.05007	6.5
73.02905	1.3
79.05502	65.5
81.03431	14.0
81.07067	100.0
82.07397	1.5
83.01344	9.8
83.04991	24.2
83.08630	22.2
83.45190	1.3
85.02898	2.7
85.06543	4.9
91.05496	42.3
93.07056	81.6
95.04987	17.0
95.08612	26.0
97.02895	2.8
97.06549	15.8
97.10175	6.4
99.04494	1.9
99.08120	3.0
103.05513	1.6
105.04531	3.2
105.07050	23.7
107.04976	13.0
107.08608	43.7
109.06517	11.2
109.10177	7.4
111.04485	3.8
111.08110	8.3
113.09608	1.6
115.05466	2.6
117.07027	18.7
119.08588	12.0
121.06547	6.2
121.10163	22.2
123.08087	10.5
123.11726	2.5
125.06018	2.9
125.09641	4.7
129.07010	3.1
130.07799	2.2
131.08612	17.6
133.10144	12.6
134.77162	1.4
135.08090	4.4
135.11723	21.4
137.09592	1.9
139.07591	1.5
139.11159	1.7
143.08575	1.9
145.06509	1.4
145.10153	21.0
147.08044	2.8
147.11751	2.1
149.09625	3.9
149.13278	31.3
153.12773	4.6
155.08553	2.5
157.10222	1.4
159.11703	14.0
163.11203	34.9
163.77831	1.3
173.09630	5.7
177.12756	6.0
181.12276	5.4
189.11226	1.6
191.10675	6.2
195.13872	13.7
205.20169	1.3
209.11729	9.6
209.13368	1.2
213.14793	2.7
227.12788	8.3
233.15366	2.6
273.31351	1.6
306.27762	2.9
367.22592	3.8
385.23727	4.3
403.24918	2.9
459.27356	3.5
477.28510	89.1
478.29208	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	476.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01871	11.6
57.03438	24.5
59.05007	2.4
61.02928	18.6
61.49522	2.1
69.03436	40.5
69.21171	3.8
69.21498	20.9
71.01341	6.5
71.40681	2.1
73.02920	100.0
73.06651	1.9
81.03421	3.6
85.02910	82.7
87.04497	13.0
91.03965	2.9
95.04955	2.2
97.02897	65.1
97.53137	2.0
99.04434	4.7
103.03908	3.2
103.05457	2.1
105.07032	26.1
109.02859	7.8
115.03190	3.2
115.03939	46.6
124.05187	2.9
127.03909	27.0
133.04982	54.3
133.06476	36.5
137.05974	40.2
144.06544	4.2
145.04958	40.8
150.07591	5.1
151.03871	2.7
162.07594	2.9
163.06010	7.9
165.09117	93.2
173.08080	3.8
177.09157	4.8
180.08630	3.0
187.97050	2.6
189.09036	4.7
201.09027	2.9
223.05952	5.5
241.07034	4.4
259.08179	4.7
261.11136	2.7
365.83835	2.3
403.84598	2.2
405.96973	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01873	0.7
55.05281	0.6
55.05519	8.5
57.03200	0.7
57.03444	8.4
57.07056	0.6
57.31670	0.5
62.06100	0.6
62.52883	0.5
65.03947	1.0
67.05509	31.4
68.05844	0.5
69.07070	7.9
72.80637	0.4
74.87022	0.5
79.05496	18.1
80.05844	0.5
81.07061	26.3
82.07381	0.8
83.04987	1.3
83.08623	3.5
91.05484	9.6
92.05838	0.6
93.07049	17.8
94.07349	0.6
95.04969	1.8
95.08613	21.3
96.08923	0.5
97.06539	0.9
97.10192	1.1
98.98480	0.8
105.04562	0.6
105.07036	6.1
107.08601	8.6
109.06564	0.5
109.10161	7.4
111.08087	0.6
117.07019	1.1
119.08588	3.0
121.10140	5.7
123.08086	0.7
123.11724	2.3
124.01601	0.8
125.09726	0.5
131.08554	2.9
133.10143	1.7
135.11705	2.6
137.13342	0.5
145.10091	1.4
147.11687	1.6
149.13274	1.5
159.11610	1.1
161.13303	0.7
171.11679	0.5
173.13271	0.6
228.96927	0.6
239.93745	0.5
243.20973	0.5
261.22150	0.9
304.26370	3.5
317.78210	0.6
335.25812	100.0
336.26080	3.3
393.60876	0.5
403.24634	0.6
450.56253	0.5
458.26364	0.5
476.31140	0.8
477.28940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.3
57.03439	18.4
59.04987	3.1
61.02942	16.5
67.53916	2.4
69.03432	32.2
69.09849	2.4
69.46308	2.3
69.46671	3.0
70.06522	2.5
71.01347	8.9
71.49498	3.5
73.02920	100.0
81.03409	5.0
85.02905	81.7
87.04469	3.5
91.03949	5.3
97.02895	55.2
99.04434	5.0
105.07034	10.5
109.02866	6.7
115.03935	31.5
124.05214	14.3
127.03922	24.1
133.04971	41.4
133.05963	3.3
133.06493	8.0
137.05997	17.1
138.22893	2.5
144.06537	3.3
145.04961	32.5
150.07622	4.9
154.60429	2.8
163.05997	8.5
165.09128	39.5
180.08690	4.7
189.09138	2.6
201.09167	3.3
213.66382	2.5
223.05937	4.6
241.07133	8.1
243.10214	5.0
259.08142	6.5
261.11060	3.3
303.63101	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	475.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01862	3.0
55.05516	25.8
57.03445	2.6
57.07077	11.5
65.03924	3.6
67.05509	58.2
69.07075	29.1
71.05011	3.2
71.19967	5.6
79.05500	29.9
81.06605	5.0
81.07059	92.1
83.05007	3.8
83.08612	16.7
85.06561	3.5
89.06028	2.7
91.05486	27.7
93.07045	37.6
95.04990	4.6
95.08612	100.0
97.06522	8.6
97.10165	9.1
99.08075	6.3
101.37801	2.5
105.04531	2.7
105.07037	30.9
107.08601	23.5
109.06544	2.8
109.10146	22.9
111.08073	4.2
117.07028	5.9
119.08588	34.4
121.10168	22.3
123.08060	4.7
123.11704	6.5
126.09817	2.4
128.53613	2.2
130.40005	2.7
131.08527	6.8
133.10143	25.5
135.08003	3.6
135.11708	19.9
137.09668	2.7
137.13242	14.0
145.10144	6.6
147.11739	4.5
149.13188	4.0
153.50204	2.2
159.11655	5.3
161.13274	40.1
163.14798	2.7
168.62546	2.1
173.13228	4.3
175.14726	3.3
179.14375	13.9
191.17891	2.3
201.16461	2.4
243.21027	3.0
251.04681	29.8
261.22177	16.5
279.23273	17.8
307.10898	8.3
337.25305	2.4
352.31326	2.4
363.16995	21.9
419.23776	3.3
421.34384	4.0
439.35724	7.5
457.37018	15.7
475.32425	97.1
475.37997	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	475.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25599	1.8
53.03950	6.4
53.84534	1.7
54.20127	1.6
55.01879	2.6
55.05521	16.5
57.03222	1.9
57.03451	17.4
57.07084	45.4
59.04989	2.0
61.02936	50.4
64.26567	1.9
67.05514	37.2
69.03436	24.4
69.07076	15.0
71.01353	3.5
71.05006	5.1
71.08250	1.9
71.08638	31.4
73.02929	22.5
75.63272	1.7
79.05502	20.7
81.03427	18.7
81.07067	39.7
83.01350	1.9
83.04990	5.1
83.08628	18.7
85.02914	55.7
85.10192	15.7
86.32037	2.0
87.04470	2.8
91.03967	35.5
91.05494	16.4
93.07056	16.0
95.04971	6.4
95.08618	38.0
97.02299	3.5
97.02903	52.3
97.06544	3.8
97.10165	13.2
99.04467	9.5
99.08125	1.9
101.02387	10.0
103.03953	8.8
105.07060	10.2
107.04974	4.9
107.08588	11.3
109.02895	10.2
109.10181	20.2
111.08124	2.9
111.11727	2.0
115.03934	2.8
117.05525	2.4
117.07062	3.4
119.08574	6.5
121.10152	5.8
123.11713	7.6
125.13256	2.2
127.03932	21.1
129.05475	5.2
131.08572	3.0
133.10114	3.2
135.11726	4.3
137.13307	3.3
143.08589	4.9
145.04968	8.0
145.10164	5.0
147.11717	5.2
149.13249	4.6
151.14885	2.3
159.06587	3.3
159.11696	3.0
161.13321	3.2
165.09270	3.1
169.10147	1.8
171.11671	3.1
183.06558	5.4
201.07608	5.0
207.13814	4.5
239.23734	24.2
257.24774	4.5
313.27393	100.0
314.27652	3.3
341.26828	3.7
457.31573	3.9
475.32843	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03706	1.6
53.03946	12.1
55.01872	6.7
55.05270	2.2
55.05515	28.7
57.03445	7.8
57.07073	3.0
65.03936	4.8
67.05507	94.8
69.03427	2.2
69.06738	1.8
69.07072	24.9
71.01345	1.6
71.04990	7.0
71.08644	1.6
71.49878	1.2
71.50269	2.0
72.56147	1.3
73.06563	2.7
77.03912	2.2
79.05495	100.0
79.21671	1.3
80.05826	1.7
81.03422	20.0
81.07059	98.9
81.34035	1.3
83.04983	19.7
83.08615	19.1
85.02904	1.5
85.06540	5.3
91.05482	69.9
93.07046	98.0
95.04971	28.5
95.08608	36.4
97.02898	1.7
97.06522	13.6
97.10163	4.2
99.04452	1.8
100.49847	1.3
105.04533	2.4
105.07035	49.1
107.04944	11.1
107.08595	38.9
109.06512	8.6
109.10193	7.1
111.08105	6.6
114.56606	1.4
115.05465	2.1
117.06223	2.0
117.07021	14.8
119.08585	27.3
121.06504	5.9
121.10147	18.9
123.08070	5.8
123.11691	1.8
125.09653	3.0
128.06239	2.1
129.07013	16.8
131.08556	11.1
133.06477	3.0
133.10133	19.0
135.08118	2.1
135.11668	10.6
137.09575	1.8
139.11160	1.2
143.08562	8.8
145.06500	2.0
145.10121	8.8
147.08047	3.1
147.11688	31.0
149.09593	1.9
149.12195	2.3
149.13278	26.1
151.11151	2.2
153.12706	2.6
157.10158	2.4
159.11694	10.0
161.09624	5.5
161.13274	12.3
163.11179	3.7
165.09113	1.5
166.87283	1.5
169.10184	1.4
171.11697	23.9
173.13312	1.8
175.11174	1.9
177.12753	4.5
179.14310	1.4
181.12267	2.6
189.12712	9.9
193.12247	5.8
195.13782	9.7
207.13812	32.1
209.11714	1.5
225.14848	3.4
227.12750	6.0
264.10315	1.3
304.26498	3.1
335.25806	5.1
383.22260	6.3
401.23349	2.2
457.25220	1.9
475.31110	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.8
53.03950	11.7
55.01869	4.1
55.05513	27.7
57.03436	5.1
57.07065	3.1
63.34064	1.3
65.03951	6.3
67.05506	85.4
69.03442	2.4
69.07067	26.6
71.05002	5.4
73.06568	3.4
77.03949	1.5
79.05495	100.0
81.03423	9.7
81.07059	97.0
83.04982	15.9
83.08617	16.7
85.06561	5.7
91.05483	66.7
93.07043	88.7
95.04966	22.8
95.08607	33.4
97.06534	11.6
97.10197	3.5
99.08096	3.2
103.05457	1.3
105.04552	2.4
105.07035	41.6
105.59011	1.3
107.04958	8.8
107.08594	43.9
107.09312	2.5
109.06522	7.4
109.10168	6.4
111.08073	6.9
113.09663	1.2
115.05476	2.0
117.07021	12.6
119.08575	23.6
121.06528	5.8
121.10145	19.2
123.08089	5.4
123.11733	1.7
124.53204	1.3
127.07555	2.0
128.06235	2.9
129.07008	16.7
130.07727	1.2
131.08580	11.5
133.06534	1.5
133.10124	15.6
135.08066	3.0
135.11694	9.8
143.08578	8.6
145.10104	10.0
145.21527	1.2
147.08075	3.2
147.11690	30.9
149.09586	1.7
149.13254	25.9
149.14386	1.7
156.09367	1.4
159.11714	12.8
161.09677	4.4
161.13235	13.5
163.11162	1.6
171.11685	27.4
171.13129	1.7
177.12737	5.9
189.12735	12.1
195.13806	8.3
207.13799	29.2
225.14983	1.6
227.12785	1.6
229.36717	1.4
242.29042	1.4
251.36455	1.2
262.47318	1.5
263.16705	1.5
383.22171	3.0
457.25339	1.8
475.30722	59.2
476.31613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03948	10.8
55.01857	4.7
55.05510	26.1
57.03431	7.3
57.07071	2.7
65.03937	5.7
67.05506	95.7
69.03402	1.3
69.07067	28.2
71.04986	5.2
73.06568	1.4
77.03929	2.1
79.05493	98.5
81.03410	10.7
81.07055	100.0
83.04980	16.9
83.08620	16.9
85.06513	4.3
89.47540	1.1
91.05483	70.9
93.07042	97.1
95.04968	20.8
95.08605	37.2
97.06529	14.4
97.10156	3.4
99.08094	3.5
103.05429	1.6
105.04525	3.7
105.07033	46.1
107.04952	7.5
107.08597	37.2
109.06537	9.6
109.10160	6.0
111.08064	6.1
113.09646	1.6
115.05434	1.8
115.15823	1.2
117.07019	15.4
119.08583	24.0
121.06503	3.3
121.10140	20.2
123.08073	5.7
123.11700	3.5
125.09602	1.8
128.06262	2.6
129.07007	15.9
130.07788	1.7
131.08551	11.7
133.06438	1.9
133.10123	17.1
135.08029	2.1
135.11667	8.9
139.11218	2.6
141.09152	1.6
143.08554	8.9
145.10103	9.5
147.08069	2.3
147.11691	31.6
149.09616	1.4
149.13258	26.2
149.14401	2.5
157.10120	1.5
159.11729	9.2
161.05963	1.4
161.09616	5.5
161.13243	12.5
163.11174	1.4
171.11684	29.2
177.12724	6.4
179.14297	1.7
187.14803	1.2
189.12715	10.9
195.13838	9.5
207.13806	28.8
224.38321	1.4
225.14859	3.6
236.70770	1.4
263.61313	1.3
281.17560	1.8
353.10779	1.3
383.21921	1.8
475.30600	73.2
476.30920	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	475.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
52.79937	1.4
53.03962	11.7
55.01868	4.7
55.05519	26.0
57.03432	6.0
57.07061	2.0
57.17962	1.4
61.49993	1.4
65.03947	6.1
67.05512	96.2
68.09988	1.6
69.07079	27.2
69.27853	14.6
71.04994	4.4
73.06540	1.9
77.03953	2.1
78.89691	1.5
79.05502	100.0
80.53625	1.3
81.03426	11.7
81.07066	95.2
83.04991	15.9
83.08623	15.9
85.06552	5.2
91.05490	73.2
92.05807	1.9
93.07054	98.5
95.04968	21.0
95.08620	36.6
97.06535	11.8
97.10185	5.2
99.08098	3.0
105.04529	2.9
105.07044	49.9
107.04974	8.9
107.08602	37.6
109.06532	8.1
109.10178	7.3
111.08093	6.8
117.07021	15.0
119.08586	25.7
121.06550	3.6
121.10163	15.8
123.08090	6.1
127.07573	2.2
128.06302	2.8
129.07021	11.0
131.08569	11.5
133.06462	2.2
133.10144	16.0
135.08072	2.6
135.11708	11.8
141.09169	1.7
143.08592	7.4
145.10159	8.3
147.08096	2.9
147.10556	2.3
147.11702	34.9
147.12825	2.8
149.13264	30.4
159.11716	11.1
161.09671	6.7
161.13257	11.9
171.11696	29.5
177.12772	5.5
179.14369	1.8
189.12816	8.9
195.13844	6.9
207.13820	29.0
208.17740	1.5
212.81062	1.6
225.14880	3.1
281.17575	2.1
365.24872	1.9
475.30640	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.6
53.03955	10.2
55.01857	5.2
55.05276	2.0
55.05515	27.3
57.03430	4.8
57.07074	3.6
62.69742	1.1
65.03941	6.5
67.05509	99.4
69.07076	27.6
70.98913	1.9
71.05009	6.7
71.08656	1.8
73.06548	1.5
76.16225	1.2
77.03941	2.3
79.05499	100.0
81.03427	9.9
81.07060	96.1
82.47590	1.1
83.04987	17.2
83.08222	1.4
83.08630	14.9
85.02908	1.7
85.06538	4.7
91.05488	74.9
93.07049	96.2
95.04973	23.1
95.08619	38.4
97.06535	13.0
97.10171	5.3
99.08101	2.8
103.05431	2.0
105.04516	5.6
105.07037	45.5
107.04955	7.1
107.08598	37.7
109.06506	6.8
109.10155	8.2
111.04436	1.2
111.08089	7.4
113.09624	1.4
115.05457	2.6
116.37904	1.2
117.07024	14.6
119.06043	1.2
119.08590	26.0
121.06516	4.1
121.10146	17.3
123.08097	5.7
123.11734	2.6
125.09581	2.0
127.07546	2.4
128.06223	4.3
129.07007	17.4
131.08588	11.1
133.06427	1.5
133.10135	17.9
133.44717	1.2
135.08080	1.6
135.11668	7.6
143.08563	10.2
145.10132	11.0
147.08090	3.1
147.11696	34.4
149.13269	26.6
151.11195	2.1
154.25038	1.5
156.09291	1.8
159.11720	12.1
161.09616	4.3
161.13245	11.9
163.11183	1.6
169.10175	1.2
171.11705	26.3
177.12724	6.4
177.93536	1.2
179.14293	2.4
189.12762	12.0
195.13800	6.4
207.13824	32.0
225.14888	4.5
251.16373	1.5
269.17529	2.3
365.24854	2.2
373.35666	1.4
383.25726	2.0
457.29807	2.6
472.81445	1.2
475.30563	67.1
476.30832	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.7
55.01879	8.9
55.05513	30.9
57.03446	8.8
57.07064	3.0
59.04981	2.0
65.03927	5.4
66.62225	1.6
67.05507	89.7
69.03411	3.2
69.07073	25.5
69.32784	5.1
69.33212	9.3
71.04982	5.8
79.05496	100.0
81.03419	19.4
81.07059	95.3
81.07486	1.5
83.04979	14.8
83.08624	19.3
85.06533	5.2
91.05484	67.0
93.07048	92.5
95.04971	25.2
95.08607	40.0
97.06535	11.9
97.10156	9.9
99.08098	3.1
103.05464	2.6
105.04516	4.5
105.07035	39.8
107.04976	10.3
107.08598	43.5
109.02901	3.6
109.06526	7.9
109.10143	9.9
111.08074	7.3
113.05997	1.7
115.05405	3.8
117.07019	19.2
119.08588	23.9
121.06496	6.9
121.10147	19.8
123.08063	6.6
123.11768	2.1
125.09647	6.0
128.06213	3.3
129.07021	17.9
131.04877	1.9
131.08568	11.9
133.06488	4.3
133.10120	15.0
135.08073	3.6
135.11690	7.2
139.11238	2.1
141.07007	3.1
143.08548	11.3
145.06441	5.0
145.10133	13.3
147.04424	3.4
147.08035	5.3
147.11694	31.9
149.09665	3.1
149.13251	21.9
151.11192	2.1
157.06483	2.8
157.10117	2.8
159.08034	4.1
159.11684	10.7
161.06026	10.9
161.09601	6.1
161.13286	9.0
163.07434	2.5
163.11168	4.2
171.08008	2.4
171.11684	22.1
173.05957	1.7
173.09601	2.7
176.76180	1.5
177.12744	4.6
183.11751	2.5
185.13156	2.1
187.07509	1.7
187.14702	1.9
189.11342	1.6
189.12680	8.5
193.12236	3.2
193.63631	1.6
195.13797	6.6
207.11934	2.2
207.13824	29.0
219.13802	1.8
225.14857	3.8
249.14992	1.7
260.00946	1.6
266.30844	1.7
269.15375	2.4
271.13266	3.0
273.14816	1.7
287.16348	1.8
289.14362	5.4
302.45984	1.7
365.21060	5.3
383.22174	26.2
401.23163	9.8
419.24158	2.4
431.24136	2.4
439.24649	2.3
443.64627	1.8
457.25711	19.5
475.25943	17.7
475.30545	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01885	11.4
55.05525	31.7
57.03445	6.4
62.80479	2.4
65.03938	3.3
67.05512	33.5
69.03425	4.5
69.07059	10.0
77.76685	2.0
79.05501	37.7
81.03439	19.5
81.07071	32.9
83.04990	6.2
83.08630	15.7
88.80999	2.1
89.89098	2.0
90.92857	2.4
91.05493	28.8
93.07056	17.3
95.01361	2.4
95.04995	16.3
95.08625	13.4
97.06508	2.9
97.10179	17.9
97.33703	2.1
98.20721	5.2
101.26324	2.2
103.05451	3.1
105.07031	17.3
107.04971	16.5
107.08598	13.4
108.09154	2.3
109.02875	10.8
109.06525	3.8
109.10187	14.4
115.05449	3.6
117.07037	15.1
119.04923	5.5
119.08603	8.2
121.06518	11.0
121.10139	8.5
123.08060	6.6
125.02398	2.8
125.09646	16.5
129.07034	13.7
131.04942	7.8
131.08569	12.7
133.06500	9.7
133.10165	3.1
135.04451	3.0
135.08064	5.1
135.11714	4.9
137.05956	2.5
137.09607	2.9
141.07019	6.3
142.07811	2.9
143.08591	9.0
145.06491	11.7
145.10172	11.0
147.04456	6.7
147.08080	7.5
149.05977	2.7
149.09610	4.7
153.09216	2.9
155.08592	6.3
157.06497	5.1
157.10139	5.6
159.04506	2.1
159.08083	8.0
159.11717	4.1
160.05226	6.2
161.05998	28.9
161.09663	5.4
163.11246	6.8
167.08485	3.6
169.06514	4.1
169.10146	4.5
171.08064	4.4
173.06021	10.8
173.09656	8.1
175.07570	4.2
181.10117	3.5
183.08112	3.2
183.11772	3.3
185.09583	4.6
185.13277	2.8
187.07571	5.9
187.11162	2.6
189.09248	5.6
189.11227	4.5
193.12300	4.8
195.11726	3.7
197.13324	2.5
199.14816	2.3
201.09216	3.0
201.12714	5.2
203.14305	2.9
211.11227	5.6
225.12726	4.6
227.12697	3.3
229.12296	2.9
231.13895	5.6
235.11201	2.2
237.11247	3.1
243.13852	5.6
259.13318	2.2
269.15231	7.1
271.13397	6.8
273.14865	8.4
287.16470	2.4
289.14407	17.2
303.16034	3.5
311.16357	2.2
337.21707	3.8
344.91748	2.3
347.20090	3.0
355.22708	7.3
365.21094	21.4
373.24231	3.0
383.22220	91.4
383.27094	4.7
384.23111	2.8
401.23300	35.9
403.22647	3.5
419.24496	4.7
421.23685	5.1
431.24329	9.8
439.24771	11.8
457.25949	64.6
475.27005	100.0
476.27567	5.4
482.19235	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	473.3631
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
53.03940	4.5
55.01853	1.3
55.05516	35.3
57.03424	2.5
57.07076	2.2
59.04996	1.2
65.03917	2.9
67.05511	40.7
69.07076	35.4
71.04982	3.6
71.49313	1.3
73.06544	1.7
74.41013	1.1
79.05495	33.6
79.06188	1.5
81.07063	86.3
83.04974	4.2
83.08622	24.2
85.06538	5.8
88.85030	1.2
91.05492	34.0
91.66470	1.3
93.07052	43.1
93.07641	2.6
95.04978	3.4
95.08614	100.0
97.06528	10.9
97.10168	8.2
99.08109	4.1
101.05984	2.0
105.07038	39.5
107.08599	21.7
109.06519	4.9
109.10175	10.2
111.08069	5.9
113.09639	1.8
115.07565	2.2
115.42243	1.3
117.07003	3.8
118.65166	1.3
119.08588	48.6
121.10161	23.1
123.08073	6.6
123.11695	2.1
125.09631	2.1
129.06964	2.4
131.08565	8.5
133.10139	34.1
135.08011	1.6
135.11710	23.7
137.09631	4.8
137.12367	1.4
137.13289	12.7
142.81035	1.3
145.10152	7.3
147.11713	9.4
149.09714	1.6
149.13300	7.2
157.10197	2.1
159.11682	5.3
161.13275	47.5
163.11105	1.8
163.14833	3.5
167.02890	1.4
171.11751	2.4
173.13274	3.8
175.14835	3.8
177.12837	1.9
179.14311	12.4
185.13184	2.9
194.72531	1.3
195.13884	1.7
221.15511	2.0
231.21030	1.3
241.19598	5.9
257.18988	1.6
259.20581	19.2
275.20099	7.8
277.18839	2.6
277.21655	34.9
318.71957	1.4
437.33951	5.4
455.35287	14.2
473.36487	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01866	3.7
55.05510	24.1
63.61218	2.6
63.91330	2.9
65.03941	3.8
67.05505	85.0
69.07074	19.1
69.54476	6.6
69.54885	14.2
71.04984	5.9
79.05496	70.8
81.07058	87.5
81.07534	4.7
83.04963	4.4
83.08603	14.5
85.06550	6.3
87.32791	3.0
91.05483	57.9
91.45532	3.9
93.07042	100.0
93.52628	2.8
95.04971	7.4
95.08608	59.5
97.06503	6.3
97.10155	8.1
99.08100	4.6
105.07035	49.1
107.08598	53.5
107.42126	3.1
109.10159	30.6
111.08077	6.1
115.07558	3.7
117.07041	8.7
119.08591	35.6
121.10157	64.8
123.08113	3.9
123.11742	6.4
123.18611	3.1
129.07060	5.7
131.08591	21.6
133.10149	39.8
135.11700	55.6
143.08542	9.0
145.10121	18.4
147.11707	26.7
149.09599	6.3
149.13275	19.0
151.11145	2.9
157.10083	5.7
159.11682	16.9
161.13260	17.3
163.11131	3.7
163.14885	3.6
171.11725	11.8
173.11807	4.5
173.13283	7.6
175.14806	5.4
177.12773	5.6
181.12195	4.7
185.13226	15.9
189.12653	3.8
195.13835	8.0
199.14819	5.4
207.13870	6.4
241.19467	16.8
259.20575	45.8
265.76129	3.4
277.21646	80.4
291.23175	3.3
295.22742	24.3
301.21631	27.9
319.22665	53.0
320.23193	4.0
337.23679	20.7
337.56094	3.0
371.53757	3.2
397.25876	71.4
439.27295	3.5
474.36685	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05509	4.9
57.07066	2.2
64.33859	0.8
67.05505	7.1
67.87769	0.7
69.07072	6.5
70.95136	1.8
77.56556	0.8
79.05492	5.4
81.07056	12.2
83.04937	1.0
83.08613	3.8
88.53979	0.7
91.05480	6.3
93.07045	13.8
95.08610	19.3
97.06525	1.2
97.10195	1.2
105.07029	11.6
107.08595	17.9
109.06503	2.0
109.10170	10.7
111.08069	1.9
117.07041	3.0
119.08594	22.0
121.06477	1.0
121.10144	14.1
123.08057	4.4
123.11721	6.6
125.09629	1.7
129.07040	1.4
131.08588	7.2
133.10136	19.3
135.08086	1.6
135.11696	17.3
137.13283	1.4
139.11159	0.9
143.08565	2.0
145.10135	13.5
147.11705	15.4
149.09628	1.2
149.13271	7.5
149.51521	0.9
151.11153	2.0
157.10213	2.0
159.11691	8.8
161.13277	8.4
163.14828	7.6
171.11670	3.2
173.13290	5.2
175.11229	0.9
175.14850	6.4
177.16396	3.3
179.10817	1.2
185.13234	3.5
187.14824	9.6
189.16402	16.1
191.17946	2.8
193.16022	0.8
199.14839	2.9
201.16380	18.9
203.17944	12.6
205.15892	7.3
207.17458	15.3
213.16423	2.3
215.17973	6.5
217.19466	1.5
219.17482	2.2
221.19025	1.0
227.17809	1.3
229.19482	3.1
241.19479	2.2
243.21075	3.7
247.16975	7.8
255.21104	7.1
257.22678	3.2
269.22678	2.0
275.20071	1.1
287.20139	1.0
301.21597	4.0
303.23279	1.7
315.23212	2.3
331.26321	6.4
357.27869	5.5
391.33548	2.1
409.34613	6.9
427.35742	100.0
428.35977	3.3
437.34204	5.9
439.47488	0.9
455.35159	3.9
456.25980	0.9
473.36395	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	473.3627
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
52.96366	4.7
55.05515	8.6
69.07066	8.6
71.22562	11.1
79.05463	7.7
81.07030	16.7
86.00288	4.7
91.05482	10.9
93.07035	17.5
95.08605	35.3
98.63950	5.3
102.12154	5.7
105.07010	13.9
107.08573	41.3
109.10162	15.4
119.08591	26.8
121.10138	22.8
123.11740	6.7
133.10132	24.8
135.11674	12.4
145.10130	14.6
147.11688	20.4
149.13229	10.5
154.65399	5.4
159.11678	19.9
161.13239	17.6
161.25949	4.9
163.11200	17.0
163.14804	7.5
173.13298	7.5
175.14783	10.3
177.16379	21.3
187.14838	35.8
189.16400	57.8
191.17902	5.9
203.17970	67.3
205.15881	100.0
205.19550	10.1
207.17389	10.1
223.17021	8.0
235.16742	5.1
249.18520	18.1
409.34683	26.5
431.93320	6.1
437.34012	20.8
473.35800	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	473.3632
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05509	15.6
59.28019	6.8
67.05501	11.4
69.07048	11.4
70.65623	13.7
70.65963	10.0
75.66593	7.6
79.05489	9.7
81.07072	34.4
83.08598	11.4
91.05502	15.2
93.07056	22.1
95.08610	55.7
98.21555	7.0
105.07037	21.1
107.08613	34.0
109.10167	29.9
119.08590	31.5
121.10161	30.1
123.11707	9.7
133.10100	24.3
135.11694	10.5
145.10136	23.4
147.11685	18.0
149.13272	16.9
154.64955	6.4
157.10194	8.8
159.11668	16.3
161.13274	14.7
163.14806	14.1
173.13290	7.6
175.14804	20.8
176.48470	7.2
177.16426	36.0
187.14822	34.0
189.16397	40.8
191.17958	16.0
203.17975	100.0
203.74586	6.4
205.15887	63.1
205.19374	9.1
207.17419	9.7
249.18648	11.9
311.38333	6.3
391.33603	7.7
409.34631	67.1
427.35718	10.5
437.34152	18.5
450.63324	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	473.3628
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03921	1.7
55.05509	13.1
57.03424	2.9
57.07076	3.2
67.05515	14.4
69.07066	19.0
69.72897	1.7
70.74309	3.2
70.94670	1.5
71.08640	2.8
79.05490	13.6
81.07057	25.3
83.08620	7.6
91.04985	1.7
91.05482	11.1
93.07038	21.8
95.08607	60.3
97.06523	2.6
97.10157	6.2
105.07030	25.4
107.08594	42.3
109.06503	2.3
109.10171	31.2
109.10867	3.5
111.04342	2.0
111.08100	5.2
111.11727	2.6
117.07037	2.4
119.08584	45.6
121.10149	37.6
123.08088	2.2
123.11726	11.5
125.09673	2.1
131.08585	6.7
133.10135	39.8
135.11699	21.4
137.09671	1.9
137.13292	2.8
145.10149	15.5
147.11690	34.4
149.09607	2.6
149.13266	18.1
153.09102	6.6
157.10112	2.0
159.11699	13.8
161.13269	22.9
163.11185	6.6
163.14830	19.5
167.10660	2.8
171.11684	2.7
173.13245	7.7
174.94769	2.0
175.11328	1.7
175.14833	18.3
177.12856	2.4
177.16397	23.0
179.14288	2.3
187.14828	20.1
189.16386	83.0
191.17976	14.2
193.15862	2.3
201.16382	19.2
202.43677	1.7
203.17958	100.0
205.15875	46.9
205.19502	4.9
207.13803	2.4
207.17473	22.8
215.17960	7.0
217.16003	2.4
217.19543	3.3
219.17450	4.1
221.18985	3.7
231.17444	3.5
231.21228	2.9
235.17027	5.5
247.17117	2.8
249.18547	18.7
255.44313	2.0
274.22284	1.7
343.28342	3.9
381.30167	2.6
391.33493	4.3
399.31137	3.0
409.34656	78.7
410.35129	3.5
427.35611	9.8
437.34320	12.7
455.34860	4.3
473.36380	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	473.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35452	8.8
60.53048	9.4
70.74104	30.4
81.07050	13.4
93.07016	22.4
95.08607	46.6
105.07034	11.8
107.08612	53.0
109.10162	20.0
119.08605	20.0
121.10149	33.1
124.88515	10.2
125.38496	10.0
133.10139	33.0
135.11702	16.8
145.10153	24.2
147.11671	18.3
159.11642	13.8
161.13243	16.4
161.15697	10.5
163.11147	18.2
175.14804	19.9
177.16483	26.0
187.14879	17.2
189.16359	54.9
203.17990	33.6
205.15900	100.0
207.17473	34.4
229.33757	9.6
323.66684	12.2
409.34735	40.3
417.97711	12.9
437.34061	20.0
473.35309	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	473.363
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.40612	8.0
53.03942	11.4
55.05502	39.0
60.31474	8.9
67.05513	56.7
68.39895	9.2
69.07047	37.7
69.45930	28.9
69.46347	38.6
75.93219	9.7
79.05495	63.1
81.03412	24.2
81.07052	72.7
83.08612	17.1
85.20527	10.5
91.05474	45.6
93.07044	58.8
95.04977	13.2
95.08620	100.0
97.06522	16.1
97.10172	14.1
98.20847	24.9
98.21536	21.9
99.08131	9.4
99.82429	9.6
101.44211	8.9
105.07050	70.2
107.08591	86.6
109.06516	15.5
109.10146	30.6
117.07018	14.5
119.08587	93.8
120.08997	9.1
121.10178	61.8
123.11662	12.9
125.09669	10.3
131.08531	35.7
133.10124	65.9
135.11699	38.0
137.11098	9.4
143.08572	19.8
143.43222	9.1
145.10153	58.1
147.08044	10.9
147.11681	39.6
149.13272	17.1
157.10097	14.0
159.07938	9.9
159.11714	50.2
161.09642	12.2
161.13251	26.0
163.14812	34.8
169.10115	10.5
171.11714	23.5
173.13210	23.7
175.14862	19.4
187.14870	33.5
189.16351	29.3
191.18005	78.8
199.14876	9.8
201.16368	57.5
203.17935	34.3
209.13362	11.9
215.14069	9.5
215.17981	13.2
217.19551	12.5
219.17421	15.0
229.19580	15.7
247.16904	31.5
282.24579	12.9
374.17963	9.5
395.28821	11.5
409.34607	30.9
437.34265	19.0
455.31583	42.2
473.32767	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	473.3627
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03948	5.1
55.05510	22.6
55.27054	2.5
57.07079	2.9
60.40772	2.2
66.77411	2.6
67.05508	24.7
69.07067	22.5
70.74026	6.4
79.05492	26.6
81.03420	14.6
81.07057	47.8
83.08620	22.6
88.37313	2.4
91.05478	23.6
93.07050	43.7
95.04986	6.4
95.08616	89.9
97.10208	5.8
105.07027	39.4
107.08598	70.7
109.06519	6.0
109.09474	5.1
109.10159	59.0
111.08092	5.7
117.07006	6.3
119.08585	94.2
121.10150	66.0
123.08056	6.8
123.11705	21.4
129.07013	6.3
131.08580	12.2
133.10136	51.6
135.08104	9.0
135.11681	40.5
137.13242	4.9
143.08545	4.4
145.10126	42.6
147.11682	34.2
147.55199	3.1
149.09631	3.2
149.13297	22.8
151.07530	5.0
157.10144	6.8
158.31375	2.4
159.11690	26.4
161.13249	24.2
163.07552	10.0
163.11206	4.8
163.14835	28.1
165.09105	3.2
171.11714	6.5
173.09650	3.3
173.13316	21.9
175.14822	19.6
177.09216	3.3
177.12730	2.8
177.14992	2.5
177.16393	16.0
179.14360	5.0
185.13298	6.6
187.14833	45.1
189.12753	4.5
189.16382	38.6
191.14189	3.6
191.17957	82.7
193.12254	4.0
197.13261	3.1
199.14859	8.0
201.16417	33.0
203.17964	52.6
205.15898	22.4
205.19563	4.2
207.13751	6.3
207.17371	3.8
213.16412	3.2
215.14302	2.7
215.18019	3.5
217.19601	14.2
219.13908	3.0
219.17444	18.5
227.18011	3.7
229.15923	4.4
229.19540	6.2
231.21075	5.6
233.15405	9.4
243.21259	3.0
243.64853	2.6
245.15463	4.3
247.16917	24.1
249.18538	4.0
251.16415	3.0
265.18039	9.3
288.22745	2.9
312.81433	2.6
315.94000	2.8
360.97672	2.7
379.80017	2.8
381.28098	3.3
391.33484	10.8
409.34631	100.0
411.36194	2.8
427.35617	18.0
437.34119	19.5
455.35184	34.0
473.29758	3.8
473.36557	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	473.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	12.3
55.01890	6.2
55.05519	23.0
57.03435	4.2
58.53622	1.2
65.03938	3.9
67.05514	50.9
69.03422	2.4
69.07078	9.8
71.04992	3.3
73.06538	1.5
77.03920	1.9
79.05504	78.2
81.03429	100.0
81.06592	2.4
81.07068	46.4
83.04998	11.8
83.08630	20.8
85.06554	2.0
91.05494	66.6
93.07056	45.6
95.04984	38.1
95.08624	24.6
97.02885	2.3
97.06541	3.7
97.10186	5.8
103.05514	1.5
105.04531	2.3
105.07046	42.9
107.04974	10.6
107.08603	14.5
109.06555	6.1
109.07185	1.2
109.10178	4.9
111.04506	1.6
111.08106	8.3
115.05472	4.7
117.07053	10.6
119.04971	1.3
119.07816	2.1
119.08602	29.2
121.06537	5.6
121.10172	7.8
123.08060	6.3
125.09705	1.9
127.07591	1.6
128.06262	3.3
129.07027	22.4
131.04865	1.5
131.08580	11.4
133.06494	4.6
133.10130	11.2
135.08057	1.4
135.11696	2.5
137.09630	1.5
142.07800	3.0
143.08600	9.0
145.06569	3.0
145.10139	9.7
147.08067	5.4
147.11700	34.3
149.05989	1.3
149.09662	4.4
157.06514	1.4
157.10147	10.5
159.08163	1.6
161.09676	4.7
161.13280	9.8
163.11148	2.1
171.11697	21.1
175.11220	8.3
189.11386	1.5
189.12762	9.0
193.12280	29.8
199.11337	1.5
207.13820	23.1
229.15952	2.0
249.14949	3.4
263.16510	1.6
281.17642	1.6
363.23309	2.2
381.24304	3.4
399.25330	2.9
455.27832	3.1
467.78305	1.1
473.29059	65.3
474.29517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.2
56.37593	20.6
61.23726	17.4
65.80061	18.6
67.05505	59.9
69.07082	46.0
79.05520	46.7
81.07066	67.9
83.05013	27.6
91.05477	67.1
93.07033	60.6
95.04971	38.6
95.08620	42.8
105.07028	70.1
107.08577	56.6
113.81077	18.6
117.06943	31.1
119.08569	76.4
120.08916	33.4
121.10141	49.0
123.11744	17.9
131.08582	19.0
133.10135	49.5
141.05400	21.0
145.10158	52.2
189.09099	19.8
191.14404	22.3
202.16707	29.5
205.15990	22.8
215.61852	24.5
232.94707	22.0
275.20041	100.0
293.21140	85.8
303.31049	19.7
341.85965	21.8
408.33395	36.0
458.33450	23.5
473.25119	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	473.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31078	3.2
53.03941	9.5
55.01869	16.6
55.05515	50.9
57.03432	7.8
57.07078	4.5
61.02910	3.9
62.36248	3.8
65.03930	6.6
67.05186	4.5
67.05511	48.1
67.68522	3.4
69.03429	34.8
69.07069	24.9
69.32583	28.3
70.06567	4.9
71.04980	11.1
73.02914	4.2
78.65899	3.5
79.05486	56.6
81.03413	25.8
81.07053	72.5
83.04987	17.2
83.08630	35.8
85.02910	55.6
85.06535	6.2
87.04441	6.1
91.04986	5.2
91.05492	49.8
93.07045	51.0
94.14616	3.7
95.04984	30.8
95.08608	48.7
97.02920	18.1
97.06535	27.8
97.10179	30.5
99.04478	5.0
99.08059	3.4
100.11245	13.1
103.05477	3.5
105.07035	46.2
105.21628	3.5
105.78729	3.4
107.04952	14.9
107.08598	100.0
107.50445	2.9
109.02864	11.8
109.03636	3.6
109.06519	14.1
109.10171	19.0
111.04449	6.6
111.08089	7.6
113.06017	9.5
115.05472	5.8
116.01697	3.9
117.07007	16.4
119.04929	3.8
119.08594	30.7
121.02858	3.8
121.06509	13.6
121.10158	21.4
123.04388	3.9
123.08062	11.6
123.11726	9.0
125.06003	8.0
125.09630	47.1
127.03928	10.4
129.06996	5.9
131.04964	5.8
131.08583	26.7
133.06526	6.0
133.10152	30.3
135.04440	3.4
135.08044	14.1
135.11678	12.3
137.05981	5.6
137.09630	3.9
139.11211	4.2
141.07028	4.1
142.07690	3.4
143.08539	13.4
144.08028	4.4
145.04980	5.4
145.06517	6.6
145.10135	20.6
147.08046	11.2
147.11696	15.3
149.05980	4.7
149.09644	15.1
149.13277	8.9
151.07486	6.0
151.11195	3.7
153.09129	7.6
153.12761	8.9
157.10138	13.6
159.08054	6.6
159.11671	14.4
161.05917	5.2
161.09625	10.4
161.13199	7.3
162.02266	4.3
163.03906	5.6
163.11188	17.0
163.14856	5.9
165.09146	13.7
165.12785	3.3
167.07088	5.2
167.08578	4.3
167.10666	6.2
169.10132	6.8
171.07954	4.1
171.11687	4.6
173.09549	3.7
173.13292	9.2
175.11256	4.8
175.14856	4.9
177.12747	7.2
181.12167	8.4
182.15364	7.3
183.11752	5.8
185.13222	6.2
187.11137	4.4
187.14774	6.9
189.09201	6.6
189.11234	33.8
189.12759	5.7
191.10675	6.3
191.14360	10.0
196.07385	3.7
197.04231	6.1
197.09589	3.2
199.11125	4.0
199.14841	3.9
201.12793	6.3
203.10579	4.2
203.14380	7.0
205.12289	9.1
205.15852	6.9
211.13263	8.6
215.05249	12.4
219.13686	16.5
222.11044	4.0
223.13266	14.4
239.17946	5.7
247.13274	7.6
251.10696	4.9
252.15739	7.9
257.15182	4.4
257.18985	9.4
261.56201	3.5
273.13773	7.2
275.20096	74.1
277.21683	11.6
293.21109	99.8
311.22217	12.9
317.21179	7.2
353.21036	10.4
363.19110	4.2
371.22357	4.9
381.20441	14.1
399.21777	8.0
437.30542	6.9
455.13004	7.7
455.24146	4.5
455.31766	4.2
473.14130	51.9
473.25369	42.5
473.32507	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.05510	17.2
59.62604	1.8
65.03953	1.9
67.05507	38.2
69.07085	11.4
71.04985	4.4
71.49333	1.7
79.05499	40.4
80.42538	2.0
81.03421	2.2
81.07059	35.8
83.04959	5.1
83.08616	8.5
91.05481	78.3
93.07045	36.0
95.04972	4.6
95.08611	24.7
97.06525	5.7
97.10188	6.0
99.79499	1.9
105.06305	3.3
105.07030	56.7
106.07358	1.9
107.08585	20.7
109.06545	2.7
109.10176	12.6
115.05415	1.7
117.07024	22.1
119.07794	1.3
119.08580	39.8
119.09386	3.5
121.06489	2.2
121.10131	17.0
123.08120	2.4
128.06183	2.1
129.06999	7.9
131.08577	33.0
133.10127	35.4
135.08015	3.5
135.11705	5.4
139.11174	2.0
141.06987	3.8
143.08572	6.3
145.10136	21.5
147.08081	3.4
147.11711	19.1
149.09607	4.4
149.13315	2.9
153.09052	2.1
155.08560	3.7
157.10136	8.6
159.11687	13.3
161.09544	2.1
161.13231	5.1
163.11186	3.2
163.14771	2.8
169.10056	2.9
171.11685	7.3
173.13263	7.3
174.05511	3.2
175.14795	2.8
183.11690	2.4
185.13237	2.6
187.14848	5.8
188.15103	2.6
189.16339	3.0
197.13315	6.8
201.12714	1.9
201.16254	2.5
203.12692	1.9
203.17993	2.0
211.14862	2.6
233.15475	3.6
239.17940	7.6
247.16946	2.3
257.19019	22.6
275.20081	100.0
293.21121	3.3
299.20053	2.2
304.17279	1.9
317.21060	2.6
335.22382	3.0
378.71420	2.0
395.24274	25.2
409.34222	2.5
472.35800	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	471.3472
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03947	6.0
55.05515	22.9
57.07068	6.2
57.97958	4.1
65.78761	5.0
67.05511	27.5
69.07064	32.2
70.77431	8.3
71.36737	5.6
74.92079	5.1
76.02225	12.1
78.45820	4.1
79.05499	24.1
81.07063	67.7
83.04995	5.5
83.08589	13.2
84.56798	4.8
91.05484	36.5
93.07055	60.5
95.04961	11.9
95.08609	100.0
97.06506	8.6
105.07041	90.1
107.04932	7.3
107.08606	92.0
109.06500	6.4
109.10165	53.1
115.05431	6.7
117.07023	16.6
119.08584	99.0
121.06492	7.9
121.10139	66.0
123.08052	7.1
123.11702	17.8
124.84849	5.5
125.09599	10.9
128.06197	6.7
129.06950	7.3
130.07741	5.1
131.08572	54.7
133.10138	88.6
135.08087	8.3
135.11687	25.5
137.05969	6.4
137.09535	7.4
143.08533	17.1
145.10135	81.3
147.08031	5.6
147.11688	55.2
149.09616	7.7
149.13289	37.3
151.11046	5.6
155.08560	5.1
157.10159	32.1
158.10857	6.2
159.07970	4.4
159.11693	65.0
161.09602	7.9
161.13251	43.1
162.02115	4.1
163.11130	7.4
163.14839	30.4
165.09128	4.8
171.11697	18.2
173.13284	64.8
175.11237	8.2
175.14830	57.3
177.12726	9.1
177.16373	71.0
179.04819	6.5
179.08539	6.4
185.13223	10.2
187.14850	73.1
189.12779	6.3
189.16396	58.3
191.14333	20.4
191.17903	13.4
199.14830	32.3
201.12733	6.9
201.16386	73.7
203.14331	32.7
203.17981	96.8
205.15910	65.8
205.19429	9.1
207.17343	7.8
213.16428	27.8
215.14272	6.4
215.17957	17.9
217.15813	8.3
219.17459	24.4
221.15372	25.9
227.17892	8.1
229.19580	7.7
231.17439	10.5
233.19177	5.9
235.16972	6.5
247.16934	14.9
249.18626	19.0
261.18457	7.8
327.23209	5.9
377.32056	7.8
389.32245	10.1
395.33112	12.7
407.33069	46.0
423.32608	11.7
425.34201	41.0
435.32648	41.7
441.33658	5.3
443.35068	8.4
453.33899	54.5
461.71185	4.2
471.25546	11.7
471.30783	4.3
471.34668	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05513	11.2
57.07058	5.6
60.15031	3.4
62.82229	3.1
67.05502	25.1
69.07074	19.2
69.84023	19.2
79.05507	24.5
81.03407	3.8
81.07062	39.6
83.08605	14.9
91.05477	26.4
93.07053	39.8
95.04958	6.4
95.08603	48.8
105.07029	46.5
106.47684	3.4
107.04967	7.8
107.08604	57.0
109.06509	6.5
109.10148	33.4
115.05418	4.9
117.06986	11.5
119.08583	94.1
119.34174	4.3
121.06509	5.8
121.10145	60.1
123.08024	5.5
123.11713	12.6
129.07039	6.9
131.08563	36.9
133.10124	67.8
135.08063	8.8
135.11700	25.0
137.09648	6.3
137.11067	3.3
143.08533	10.0
144.09323	3.5
145.10132	93.1
147.08138	3.7
147.11710	38.3
149.09630	6.6
149.13243	13.8
151.11159	7.4
157.10097	14.0
158.10938	5.7
159.11697	71.7
161.13219	28.9
163.11171	17.6
163.14857	16.9
171.11693	15.9
173.13275	39.8
175.14803	27.6
177.16417	20.1
179.14307	5.4
181.43173	3.4
185.13289	9.8
187.14819	92.8
189.16403	47.8
191.14308	6.6
191.17900	6.7
193.15834	5.4
199.14822	11.0
201.16391	100.0
203.14389	4.1
203.17886	23.4
205.15886	97.1
207.17458	15.1
211.45020	4.7
213.16414	24.9
215.14299	5.3
215.17868	12.2
219.17500	23.5
223.14882	4.5
223.16914	7.5
227.17999	6.8
229.15822	4.5
233.19054	4.0
241.19524	8.9
247.16946	18.1
259.20682	3.9
259.88977	3.6
287.20090	11.0
389.10123	3.6
389.31921	10.4
407.33170	51.7
425.34299	49.9
426.34534	3.8
435.32495	15.6
453.33847	36.0
471.34625	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	471.3476
Annotation	Lantic acid
Peak:m/z	Relative Intensity
52.25819	0.5
53.03935	0.7
55.05527	2.9
67.05516	3.5
69.07071	3.2
79.05504	2.6
81.03452	0.6
81.07066	7.0
83.04994	3.3
83.08629	2.0
85.06551	0.7
85.21130	0.5
91.05484	3.1
93.07051	8.2
95.04968	1.3
95.08076	0.9
95.08625	12.7
97.06519	0.8
97.10156	1.0
105.07050	10.4
107.08603	13.5
109.06538	1.1
109.10182	5.5
111.08074	1.1
117.07011	1.0
119.08597	11.9
121.06588	0.7
121.10146	7.8
123.08060	1.2
123.11734	2.7
125.09662	0.8
129.07002	0.9
131.08592	3.5
133.10139	7.9
135.08058	1.0
135.11717	8.0
137.13277	1.2
139.07570	0.6
141.06987	1.1
142.07689	0.7
143.08588	2.7
145.10138	4.0
147.08061	1.4
147.11707	4.7
149.09648	1.6
149.13300	2.3
153.09132	0.7
155.08592	1.4
157.10135	2.4
159.11667	4.1
161.09659	3.2
161.13260	3.6
163.11186	0.8
163.14857	2.5
169.10213	1.8
171.11726	2.9
173.13232	4.0
175.11272	1.4
175.14854	7.7
177.16391	2.0
179.10655	0.6
183.11742	1.8
185.13329	1.7
187.14868	3.3
189.12766	1.4
189.16399	15.8
191.17958	2.4
193.15919	0.7
197.13226	2.8
199.14954	3.1
199.52153	0.5
201.16472	3.0
203.18022	0.7
205.15894	0.8
211.14917	1.4
213.16478	1.6
215.14343	1.8
215.18011	1.1
217.15901	6.7
223.17015	0.7
227.18080	1.3
228.76993	0.6
229.15974	2.0
229.19412	1.1
235.16948	6.7
241.19641	0.7
242.92845	0.7
245.19179	0.8
253.19447	2.8
255.21078	0.8
257.19000	1.1
267.20990	0.9
271.20648	4.6
285.22156	1.1
317.21167	1.7
380.08017	0.7
389.32129	0.7
407.33160	2.8
425.34274	8.9
435.32535	1.5
453.33951	0.7
471.34778	100.0
472.35236	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	471.3476
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
53.03939	4.3
55.05502	12.9
57.07068	5.6
67.05511	17.0
67.37781	3.7
69.07074	20.9
69.15236	30.8
79.05490	16.9
79.45218	3.3
81.07069	33.0
83.08637	7.7
85.32323	3.3
91.05482	12.7
93.07050	28.5
95.04987	3.7
95.08611	52.3
97.10172	4.5
105.07031	41.2
107.08603	60.4
109.10191	31.0
117.07027	5.6
119.08594	100.0
121.10150	40.9
123.08084	4.0
123.11703	13.0
129.06963	3.4
131.08604	28.5
133.10149	51.4
135.11693	19.8
137.09599	3.7
140.70963	3.3
143.08553	7.8
145.10143	61.6
147.11713	30.1
149.13278	14.1
151.11195	5.4
157.10100	8.8
159.11694	40.9
161.13260	22.7
163.07542	9.4
163.11197	12.3
163.14812	16.7
171.11711	9.2
173.13298	36.0
174.13857	4.4
175.14822	31.2
177.16376	20.5
183.11739	4.8
185.13237	8.5
187.14839	47.5
189.16391	67.1
199.14827	10.1
201.16402	80.3
203.14384	4.2
203.17990	22.6
205.15897	88.2
207.17477	23.7
213.16360	4.3
215.14597	3.3
219.17485	4.3
223.16956	6.0
227.17987	3.8
229.15938	4.8
229.19550	5.9
243.66629	3.9
247.17009	15.7
255.20947	4.5
301.21820	3.6
389.32025	11.3
407.33136	81.1
425.34259	42.4
435.32669	17.0
435.81573	4.0
453.33597	5.9
471.34641	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	471.3469
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
55.05515	23.2
67.05499	35.7
67.55822	4.6
69.07078	20.8
69.47205	33.3
79.05497	25.0
81.07056	57.4
83.08601	19.6
91.05491	34.8
93.07043	52.8
95.04990	6.3
95.08611	100.0
97.06517	11.7
97.10188	9.0
98.20865	12.3
105.07029	73.5
107.08604	87.6
109.06512	5.8
109.10157	48.2
111.08076	9.1
116.92525	3.8
117.07003	13.5
119.08588	97.1
121.10126	73.5
123.11674	17.9
125.09630	15.8
129.07008	9.4
131.08566	42.2
133.10141	68.4
135.11708	29.4
141.06924	4.5
143.08578	20.4
145.10121	78.8
147.11667	46.5
149.09598	11.1
149.13237	21.1
151.11188	6.5
155.08582	6.3
157.10164	20.3
159.11674	66.7
161.13245	38.4
163.11249	5.5
163.14842	23.6
165.09045	5.1
169.10147	7.0
170.11023	5.2
171.11691	16.9
173.13258	42.0
175.14854	39.1
177.16383	23.9
183.11691	7.7
185.13219	9.2
187.14822	74.3
189.12772	4.9
189.16376	74.5
191.17979	10.9
195.11623	5.7
197.13239	4.4
197.22742	4.2
199.14798	18.2
201.12854	4.8
201.16368	95.0
203.14262	5.6
203.18004	42.1
205.15916	16.9
207.17413	5.3
213.16365	20.9
215.17950	23.7
217.15845	11.0
218.37579	4.5
219.17453	36.3
227.18059	7.0
229.19485	12.5
231.17488	7.0
233.19063	7.1
235.16922	11.6
239.65768	5.1
241.19461	8.1
242.29230	5.1
247.16949	15.8
249.18555	8.4
261.18497	11.8
273.18411	4.2
275.20258	7.3
305.63043	6.3
327.23218	8.1
370.93604	4.9
379.26538	6.2
389.31915	16.4
407.33167	35.2
423.32571	11.8
425.34134	17.5
435.32452	30.3
453.33737	34.0
471.35306	40.2
472.18051	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	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.98816	4.1
53.03936	6.3
55.05493	14.8
57.07065	6.1
57.46521	3.7
66.22627	4.4
67.05507	24.7
69.07061	14.4
79.05475	15.2
81.07057	52.3
83.08610	11.9
91.05479	21.0
93.07041	47.0
95.08611	80.2
97.06531	13.3
97.10138	5.3
98.21609	10.6
102.57050	3.9
105.07027	66.3
107.08600	78.7
109.09488	5.0
109.10165	54.6
117.07014	10.2
119.08584	100.0
121.10149	69.2
121.38729	4.4
123.08065	8.8
123.11701	12.3
125.09624	14.8
129.06944	5.1
131.08557	26.7
133.10141	63.0
135.11688	28.4
137.09660	7.3
143.08545	11.5
145.10133	67.7
145.11201	7.7
147.11685	35.7
149.09595	15.6
149.13255	14.3
157.10143	15.2
159.11691	66.2
161.13242	56.0
163.07474	5.7
163.11186	5.5
163.14799	14.6
171.11703	11.7
173.13264	32.6
175.14833	31.1
177.08926	5.1
177.12746	4.2
177.16389	19.0
183.11670	4.9
185.13222	8.4
187.14819	77.9
189.16351	40.1
191.14319	7.3
191.17931	15.2
193.15871	5.0
199.14825	18.0
201.16374	83.4
203.17921	23.8
205.15880	14.4
211.59416	5.8
213.16319	11.3
215.17909	17.7
217.15923	5.1
219.17455	38.1
225.16151	5.4
227.17941	4.8
228.14381	4.5
229.15875	6.5
229.19493	12.1
230.31989	4.5
233.18913	7.4
235.16924	12.7
237.18419	4.9
247.17041	36.2
261.18558	11.7
275.19888	7.3
293.22446	5.3
311.23413	6.7
327.23251	7.0
360.71100	4.5
389.32135	10.1
407.33133	38.2
425.34088	9.4
435.32523	20.1
453.33734	23.8
471.34543	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	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.05502	7.7
56.57712	2.5
65.03933	3.6
67.05503	18.4
69.07053	11.8
70.94727	3.3
70.95045	3.8
76.77633	3.2
79.05493	28.7
81.03404	17.8
81.07062	21.2
83.08621	6.7
91.05495	22.5
93.07053	35.6
95.04919	5.5
95.08614	32.8
97.10172	4.5
99.08083	7.2
105.07031	36.7
107.04958	21.0
107.08594	41.4
109.06538	4.1
109.10152	14.1
117.07026	6.5
119.08584	61.5
121.10146	43.4
123.08125	3.0
123.11703	8.4
129.06998	4.5
131.08560	31.6
133.10135	38.2
135.08185	3.0
135.11690	21.0
137.13191	2.7
143.08543	6.2
145.10138	33.6
147.11697	52.0
149.13255	9.1
157.10136	6.9
159.11685	28.2
161.13263	14.2
163.11188	10.7
163.14816	10.4
171.11710	6.6
173.13275	13.6
175.14880	19.8
177.12773	4.4
177.16357	21.2
183.11774	4.0
185.13257	3.1
187.14816	55.9
189.16415	21.6
191.17854	7.8
199.14827	5.9
201.16385	100.0
203.17970	9.2
205.15875	95.3
207.17465	14.3
213.16359	5.2
215.17952	4.0
217.12286	3.3
219.17490	15.4
223.17003	8.1
227.17854	4.4
247.16853	6.1
273.22296	2.8
285.10049	7.4
324.11176	3.1
331.02740	2.9
353.28360	6.5
389.31985	6.3
407.33017	38.3
425.34140	17.0
435.32532	4.7
453.33508	6.5
471.26886	5.3
471.34634	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	471.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10448	0.8
69.07043	0.7
71.48614	0.8
79.05512	0.9
81.07062	2.0
83.04955	0.9
91.05477	1.1
93.07019	1.1
95.08607	1.4
97.02907	1.0
97.06512	1.5
98.97578	2.3
105.07041	1.6
107.04959	0.8
109.10143	1.2
119.08589	1.0
121.10180	0.6
125.09780	0.7
131.08556	1.1
133.10153	1.0
143.00154	0.8
145.10149	0.9
156.07083	0.7
158.99678	1.2
163.03905	0.8
164.64653	0.7
173.02538	1.1
173.09720	0.6
177.00716	0.7
185.03049	0.8
185.13342	0.6
219.01823	0.7
238.08012	0.6
259.09753	0.8
260.10132	0.7
333.07916	47.4
334.08475	0.9
335.09479	26.6
419.40308	0.6
471.22052	100.0
472.22351	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	471.2207
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05493	0.6
59.81517	0.4
67.05515	0.8
69.07067	1.2
70.10389	1.2
70.10792	1.1
79.05485	1.3
81.07071	2.4
83.05020	0.6
91.05499	0.7
93.07037	1.3
95.04979	0.5
95.08632	1.8
97.06528	0.9
98.06913	0.5
105.07039	1.4
107.08607	0.8
109.10136	0.6
119.08591	1.5
120.99879	0.4
121.10120	0.5
124.57960	0.5
131.08557	0.8
133.10164	1.0
135.04417	0.7
145.10190	0.9
149.09708	0.5
157.10225	0.5
163.03935	3.5
165.09164	0.8
171.11688	0.7
175.14827	0.6
179.03421	1.5
185.13197	0.6
187.14856	0.6
201.12502	0.5
203.05319	0.8
217.12267	2.9
241.28583	0.4
275.07327	1.3
317.08646	0.5
320.97589	0.5
333.07874	3.3
335.09528	10.5
339.17783	1.0
471.22067	100.0
472.22464	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	471.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68946	0.5
53.03940	1.6
67.05496	0.8
69.03427	1.2
69.07062	0.6
69.15372	5.6
77.03934	0.9
79.05493	1.3
79.34501	0.7
80.34529	0.5
81.03422	4.6
81.07063	1.7
85.02908	2.0
91.05475	1.2
93.07036	1.8
95.04986	1.8
95.08597	1.6
97.02888	3.1
97.06504	0.8
99.04453	0.9
103.05471	31.2
105.04533	0.6
105.07021	1.8
107.08596	2.7
109.02890	2.6
109.10184	1.4
117.06995	0.8
119.08569	4.3
121.10127	2.0
123.04440	8.2
127.03941	1.0
131.04938	100.0
131.08583	1.8
132.05258	1.6
133.02875	5.7
133.10136	2.4
135.04420	1.2
135.11743	1.2
144.08141	0.5
145.10130	2.2
147.11694	2.3
149.06017	7.1
149.13309	0.7
151.03932	2.8
152.17665	0.6
159.11749	1.2
163.03925	0.7
173.13261	0.7
175.14796	1.2
177.16365	1.7
178.48546	0.5
179.03401	53.5
180.03737	0.6
180.15067	0.6
185.13197	0.6
187.14871	2.3
189.16402	1.3
201.16425	4.1
205.15898	4.1
219.17459	0.9
275.09189	6.2
286.10809	0.7
293.10199	0.7
407.33112	1.8
425.34082	0.8
471.31146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	1.1
69.59885	3.6
79.01965	0.7
79.05501	1.3
81.07060	2.1
83.05012	0.7
91.05527	1.0
93.07041	0.8
95.08618	1.7
97.06540	1.9
97.24733	0.7
98.06892	0.7
98.97591	2.1
102.72623	0.6
105.07051	1.4
107.08621	1.8
109.10213	0.6
119.08617	1.5
121.10171	0.9
131.08559	0.8
133.10133	1.1
143.00104	0.9
158.99672	1.1
159.11830	0.7
163.03931	1.4
166.77036	0.6
231.07712	0.7
333.07941	47.8
335.09518	26.7
335.13651	0.9
364.10516	0.7
471.22052	100.0
472.22400	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03939	4.6
55.05527	16.1
55.05739	3.8
65.03951	3.4
67.05514	21.1
69.03424	4.1
69.07068	31.1
70.61900	9.1
79.05490	25.2
80.20769	3.2
81.07059	54.8
83.04995	17.9
83.08620	13.7
88.27093	3.2
89.03900	4.7
90.95188	4.1
91.05499	34.3
93.07047	44.1
95.04968	6.6
95.08605	57.0
97.06541	49.4
97.10145	4.0
99.08096	14.2
103.05466	3.7
105.07030	75.3
107.08602	67.0
109.06512	13.3
109.10152	35.0
117.03357	4.6
117.07022	14.8
119.08585	100.0
121.10155	54.9
123.08066	6.6
123.11712	16.4
125.09631	9.0
128.06261	3.7
129.07008	9.7
131.08578	49.1
133.10143	58.3
135.04424	7.2
135.08014	4.9
135.11697	21.1
137.09607	5.4
142.07813	9.3
143.08574	25.6
144.09372	5.5
145.02766	4.4
145.10127	80.8
147.11707	34.1
149.09636	5.1
149.13245	8.3
151.07501	3.5
151.11166	5.9
156.09351	5.1
157.10138	27.6
158.10913	4.3
159.11699	49.8
161.02371	7.8
161.09669	4.8
161.13249	20.5
163.03906	44.0
163.11172	4.6
163.14825	9.9
164.04355	4.4
169.10115	13.6
170.10954	4.3
171.11710	24.6
173.02341	26.0
173.13251	33.9
175.14807	28.1
177.16414	5.3
183.11722	14.7
184.12473	6.4
185.13274	37.9
187.14830	61.1
189.12779	4.1
189.16406	17.0
191.14278	9.5
191.17949	4.0
195.82198	3.6
197.13239	12.5
199.14859	42.6
201.16393	45.1
202.00607	3.8
203.14381	16.1
205.15877	24.5
209.13219	5.3
211.14830	11.5
213.16397	38.3
215.07016	31.3
215.14337	5.9
215.17921	10.4
217.15860	11.1
219.17453	21.4
221.13292	4.1
225.16405	8.3
227.17935	6.3
231.17369	8.4
233.15372	4.7
239.17943	6.3
241.08479	4.2
241.19554	6.7
242.08957	10.1
245.15465	10.5
247.17059	5.4
249.14821	6.9
253.19511	9.7
255.20932	4.7
259.09677	94.0
259.16797	3.7
260.09979	13.5
265.19449	4.0
267.21097	7.6
277.10739	7.8
283.20657	9.5
351.26797	6.0
387.30270	8.0
405.31540	55.3
406.26685	3.9
407.32996	10.8
423.32767	21.1
433.30948	15.1
451.32364	21.5
459.85617	4.3
469.23950	5.1
469.33429	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03941	3.8
54.55667	2.3
55.05503	14.6
57.07077	4.8
60.16282	3.0
64.73978	2.1
67.05508	20.3
69.07072	18.2
70.60700	6.9
73.52872	2.2
79.05490	21.5
81.07058	43.1
81.09750	2.3
83.04989	19.5
83.08616	9.2
85.06544	3.1
86.76447	2.4
91.05486	25.7
93.07052	39.9
95.04961	7.6
95.08610	51.0
97.06524	29.3
99.08086	14.3
104.93941	2.2
105.07041	76.3
107.08599	64.7
109.06519	5.5
109.10155	26.1
111.08115	4.3
112.84518	2.3
117.03389	2.6
117.07024	9.8
119.08585	100.0
121.10146	45.1
123.08048	6.6
123.11719	18.8
125.09647	4.1
128.06241	3.5
129.07019	5.6
130.07796	3.1
131.08568	47.5
133.10138	53.1
135.08095	3.3
135.11716	20.8
137.09622	3.6
142.07838	3.0
143.08574	21.7
144.09305	5.3
145.10138	59.4
147.11696	28.1
149.09642	3.8
149.13269	8.7
151.11209	3.4
155.08574	4.6
156.09311	4.0
157.10127	22.9
158.11017	2.4
159.04375	3.5
159.11696	42.2
161.02423	4.3
161.09676	5.3
161.13266	19.7
163.03928	15.1
163.11137	3.1
163.14801	7.6
169.10133	9.3
170.10902	6.0
171.11679	18.7
172.12515	3.7
173.02353	12.1
173.13278	37.2
175.14838	26.7
177.16373	13.2
182.11020	3.1
183.11705	10.2
184.12456	3.6
185.13293	24.7
187.14821	64.7
189.12804	3.1
189.16408	20.0
191.14351	7.9
197.13298	10.1
199.14816	31.4
201.12592	2.8
201.16389	41.8
203.14304	14.2
203.18008	5.6
205.15881	37.6
207.17471	3.1
209.13344	4.9
211.14822	11.5
213.16386	24.1
215.07053	10.3
215.14314	5.5
215.17958	8.5
217.15794	11.2
219.17436	13.7
223.14874	4.5
225.16406	4.8
227.17996	5.5
229.15919	6.2
231.17407	5.0
233.15358	4.1
239.18025	5.0
241.19586	5.2
245.15413	3.4
245.18965	2.9
249.14807	4.6
253.19414	3.9
259.09656	23.6
259.16922	3.3
260.10022	4.8
267.21042	6.3
277.10757	14.8
277.19617	2.9
283.20560	3.3
317.06619	2.5
351.26886	3.2
387.30463	5.2
393.31549	3.2
395.33026	3.3
405.31509	41.2
407.33035	8.7
407.45676	2.3
423.32697	24.1
433.31268	5.3
439.32126	4.2
451.32022	11.6
469.33167	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	5.8
55.05505	15.8
67.05502	24.6
69.07069	16.5
70.61082	4.5
70.61398	5.2
79.05491	18.7
81.07053	54.3
83.04973	23.2
83.08595	11.6
91.05484	28.1
93.07045	46.7
95.04977	3.6
95.08611	58.4
97.10152	5.2
105.07033	69.6
107.08599	66.9
109.06501	6.1
109.10152	31.9
111.08064	9.6
117.07010	13.1
119.08586	100.0
121.10133	40.8
121.10940	4.0
123.08073	3.1
123.11716	22.5
125.09606	11.5
129.06984	6.0
131.08566	38.6
133.10141	54.3
134.26959	3.3
135.11697	15.9
137.09665	4.2
140.70952	2.9
143.08517	14.9
144.09328	4.1
145.09071	6.9
145.10129	85.0
147.07994	4.9
147.11688	29.5
151.11198	6.9
156.09340	3.8
157.10117	26.3
158.10886	5.5
159.11699	48.3
161.09535	4.5
161.13280	26.2
163.07506	4.4
163.11191	5.7
163.14795	10.3
169.10126	7.4
170.10886	5.4
171.11728	18.3
171.80885	3.1
173.13254	42.6
175.14825	27.1
177.16418	8.6
183.11684	12.8
184.12474	3.5
185.09698	2.9
185.13266	30.8
187.14824	73.1
189.12721	3.9
189.16386	30.2
191.14264	9.7
191.18051	5.6
193.15797	3.5
197.06165	3.0
197.13269	6.1
199.14813	33.1
201.13036	3.2
201.16396	58.4
203.14334	9.2
203.18001	9.2
205.15886	78.0
211.14844	14.7
213.16373	29.5
215.14381	7.2
215.17940	6.8
217.15938	10.6
219.17392	25.5
225.16382	3.5
229.15800	3.8
230.16719	3.3
231.17426	13.1
233.15393	9.6
234.89334	3.1
235.26286	3.1
237.16354	4.1
239.17862	5.4
241.19518	5.1
253.19559	4.5
262.78616	3.2
267.21051	5.5
279.21005	4.2
375.30307	4.2
385.09296	3.6
387.30441	5.2
405.31473	34.8
407.33246	7.8
423.32599	27.6
433.30841	14.3
439.31757	4.9
451.32120	25.2
469.32901	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	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03935	3.6
55.05500	11.0
57.07067	6.3
59.73840	3.0
67.05516	29.6
69.07076	17.5
71.50334	3.7
72.93098	3.0
79.05504	26.9
81.07059	54.2
83.04996	19.4
83.08597	9.8
85.57355	3.4
90.11935	2.9
91.05486	37.5
93.07046	59.7
95.04970	7.4
95.08616	91.8
97.06518	4.4
97.10173	3.3
105.07039	94.7
106.68130	3.6
107.08607	100.0
109.06511	7.8
109.10173	45.4
111.08070	5.7
117.07016	15.6
119.08599	99.4
121.06482	4.6
121.10143	60.5
123.08054	8.6
123.11713	25.0
125.09688	17.2
129.07010	7.8
130.07799	5.1
131.08578	53.0
133.10149	72.0
135.08061	10.4
135.11705	27.4
142.07744	8.3
143.08569	27.8
144.08157	3.4
144.09305	4.4
145.10130	91.2
147.08098	6.0
147.11673	32.9
149.09631	4.8
149.13254	11.3
151.11189	13.2
155.08577	5.8
156.09311	8.0
157.10121	33.2
158.10846	4.9
159.07959	3.9
159.11696	56.1
161.09529	4.2
161.13284	28.4
163.07625	6.2
163.11237	4.4
163.14799	12.5
169.10153	10.1
170.10924	7.9
171.11700	23.2
172.12454	4.0
173.13257	41.0
175.11165	5.2
175.14856	29.9
177.12823	5.2
177.16376	14.6
183.11700	17.1
185.13280	38.2
187.14825	75.2
189.12726	4.0
189.16403	24.5
191.14340	21.5
191.17972	5.6
193.15820	6.1
195.11603	4.8
197.13268	12.8
199.14844	33.2
201.16400	57.0
203.14311	15.1
203.18002	9.7
205.15907	62.9
207.17511	4.1
209.13295	8.6
211.14743	18.1
213.16357	31.4
215.14343	8.1
215.17938	10.6
217.15939	9.8
219.17473	28.0
223.14787	4.1
225.16234	6.9
227.17987	7.0
229.15834	5.8
229.19591	4.3
231.17448	19.4
233.15378	10.8
233.18867	5.2
237.16505	4.8
239.17882	9.4
241.19479	6.8
247.16878	5.8
253.19518	4.4
255.21080	3.9
259.16995	5.8
265.19467	9.5
267.21124	7.2
271.20700	4.7
279.20773	3.4
285.22351	3.8
387.30432	8.2
405.31528	60.2
407.32678	4.7
421.30765	5.6
423.32648	34.0
433.31076	24.3
451.26123	5.0
451.32141	28.2
469.33438	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	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.01872	5.9
55.05509	25.9
57.07079	4.2
65.03935	5.8
67.05509	35.3
69.07057	18.3
79.05499	30.7
81.07059	64.4
83.04980	26.5
83.08634	8.8
84.79267	4.0
91.05476	36.4
93.07052	55.5
95.04984	12.3
95.08605	68.2
97.06525	5.9
98.88070	4.0
99.08083	12.3
105.07039	73.6
107.08593	84.1
109.06536	14.4
109.10164	37.5
111.08089	9.4
112.07613	17.0
117.07006	9.9
119.08586	100.0
121.06564	4.1
121.10156	52.4
123.08062	6.2
123.11732	23.8
125.09635	10.7
128.06238	4.5
129.07104	4.4
129.74908	4.7
131.08575	53.4
133.10141	71.2
135.11720	25.5
135.63875	4.6
137.09569	7.2
142.07773	7.6
143.08595	27.2
144.09343	5.9
145.10132	70.0
147.08105	5.8
147.11684	38.6
149.09674	5.1
149.13226	13.3
151.07648	5.2
151.11165	6.6
156.09320	5.9
157.10114	28.0
158.10834	5.0
159.11719	56.8
161.09627	5.4
161.13240	24.1
163.14856	10.7
169.10124	14.4
170.10820	4.8
171.11697	17.2
173.13245	43.8
175.14854	27.7
177.12837	5.8
177.16397	13.8
183.11711	16.0
185.13220	38.5
187.14828	56.2
189.16379	19.3
191.14293	8.5
191.17908	6.7
193.15915	4.7
197.13243	13.6
199.14792	41.1
201.16389	47.8
203.14322	15.2
205.15862	32.0
207.17451	4.9
209.13232	6.5
211.14807	13.7
213.16470	29.2
215.14348	4.6
215.17949	11.1
217.15886	12.0
219.17459	24.2
225.16315	8.4
227.17886	6.9
228.99960	5.9
231.17526	12.0
233.15405	7.5
241.19537	8.6
243.17403	4.5
245.15369	11.2
249.14819	8.5
253.19533	8.4
255.21199	7.4
259.16968	5.8
267.21066	7.6
299.19983	3.9
327.23599	4.1
387.30267	6.2
405.31555	51.6
407.33038	13.5
423.32516	24.3
433.30948	14.5
451.32312	22.5
469.33664	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.69243	3.3
53.03961	3.8
55.05513	21.5
65.03928	4.2
66.86981	3.0
67.05502	30.7
67.45659	2.9
69.03445	5.5
69.07077	21.1
69.92919	8.9
69.93318	5.9
71.04981	3.7
79.05500	30.0
81.03383	3.6
81.07063	51.3
83.04971	6.3
83.08627	13.0
91.05491	32.9
93.06507	4.7
93.07046	46.8
95.04971	6.6
95.08617	69.2
97.06528	35.4
97.10166	7.0
103.48882	3.1
105.06323	4.8
105.07034	73.2
107.08598	86.1
109.06525	7.8
109.10162	35.5
111.08086	10.0
117.06991	9.4
119.08592	100.0
121.10154	49.7
123.08041	4.5
123.11700	14.5
125.06013	4.5
125.09644	29.6
128.06248	3.3
129.07021	9.6
131.08589	39.4
133.10135	53.7
135.08055	3.7
135.11664	23.0
137.09618	7.8
137.13268	6.7
141.06920	3.7
142.07788	6.6
143.08553	28.6
145.10139	58.1
147.11691	36.5
149.09633	3.7
149.13237	13.5
151.11191	4.2
152.24005	3.3
153.10553	3.8
155.08585	11.4
157.10150	36.7
159.11720	39.8
161.09612	6.7
161.13286	22.7
163.11209	4.4
163.14792	14.2
164.40623	3.3
165.12820	4.9
167.10701	5.6
169.10153	15.8
170.10939	4.3
171.11717	34.2
173.13303	30.7
175.14827	90.5
177.16383	9.4
183.11716	12.6
184.12453	3.8
185.13239	12.4
187.14801	37.0
189.16432	16.4
191.14236	8.1
193.12181	4.7
193.15913	12.7
195.11652	7.3
197.13263	16.4
198.14201	3.5
199.14799	19.3
200.74324	3.1
201.16420	28.5
203.14433	4.4
203.17989	7.4
205.15872	7.7
209.13283	7.6
211.14833	14.9
213.16443	22.7
215.17975	9.9
217.12291	3.6
217.15875	11.2
221.15321	9.5
225.16321	10.3
227.17973	13.4
229.15952	3.9
231.17487	11.5
235.14749	6.6
237.16353	6.6
239.17990	22.8
241.19566	12.0
247.16980	5.5
251.18018	6.5
253.19528	10.7
255.17157	3.7
255.20819	4.7
257.18893	3.9
259.16913	13.0
265.19687	6.6
267.20911	3.9
273.18491	14.9
279.21085	6.0
281.22614	7.4
285.09879	6.9
285.18515	24.6
291.21005	5.8
299.20047	10.1
301.21667	6.8
309.21985	7.7
313.21796	4.7
323.23590	3.4
327.23227	11.8
339.23251	6.0
340.32416	4.2
341.24692	5.1
387.30371	14.9
405.31595	45.8
407.33163	14.3
421.30783	14.2
423.32660	26.2
433.31082	29.0
451.26520	4.2
451.32114	53.2
469.33398	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	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.34570	2.0
53.03934	2.9
55.05519	17.8
57.07067	3.3
58.19502	1.8
59.04992	3.7
65.03924	3.4
67.05506	21.2
68.15604	1.9
69.07077	13.5
69.76257	7.6
69.76662	2.9
71.08608	2.1
77.03947	2.4
79.05495	19.5
81.07063	49.7
83.04977	16.1
83.08150	2.2
83.08611	13.6
85.06505	2.6
86.54536	2.2
91.05482	30.3
93.06505	2.5
93.07053	40.3
95.04959	3.7
95.08611	56.5
97.06550	4.0
97.10162	2.7
99.08092	10.2
103.05430	2.3
105.06327	2.4
105.07031	66.2
107.08595	70.5
109.06503	7.0
109.10172	29.3
111.08118	4.5
117.07008	9.4
119.08586	100.0
121.06503	2.4
121.10154	59.9
123.08057	4.4
123.11711	20.3
125.09634	5.6
128.06190	2.0
129.06996	5.4
131.08566	48.9
133.10141	60.2
135.08081	2.9
135.11694	20.5
137.09541	5.4
142.07822	4.6
143.07501	3.0
143.08557	30.9
144.09268	3.0
145.10129	62.9
146.10849	2.3
147.11697	31.5
149.09593	3.5
149.13235	8.6
151.11169	5.6
155.08533	6.4
156.09300	3.3
157.10130	30.0
158.10889	4.6
159.11705	48.3
161.13266	19.3
163.07497	2.0
163.11134	2.6
163.14810	8.4
165.12846	3.3
169.10143	10.5
170.10886	5.7
171.11667	21.5
172.12451	3.1
173.13272	34.9
175.14828	24.8
177.12680	3.2
177.16370	8.2
181.10114	2.7
183.11720	13.6
184.12444	4.6
185.13260	31.2
187.14830	60.7
189.12752	2.2
189.16423	21.3
191.14372	10.3
191.17973	5.4
193.15848	4.1
195.11716	2.7
197.13268	11.7
199.14839	43.9
201.14613	3.6
201.16396	47.1
203.14323	19.6
203.17940	5.4
205.15849	24.7
209.13206	4.7
211.14807	10.8
213.16380	28.2
215.14365	4.1
215.17952	10.6
217.15897	14.3
219.17427	15.2
221.13020	2.3
223.14871	2.2
225.16389	5.8
227.17941	6.3
229.15936	5.1
231.17424	8.2
233.15321	8.7
233.18974	2.3
239.17949	5.6
241.19420	6.0
243.17535	4.4
245.15401	9.3
249.14886	8.3
253.19652	5.0
255.21092	2.3
259.16946	3.2
265.19528	5.7
267.21033	10.8
271.20593	2.7
281.22653	4.2
283.20554	4.5
285.18448	2.1
299.20023	2.0
313.25525	2.0
344.21887	2.5
351.27060	3.9
387.30475	4.7
393.31036	2.4
401.64557	2.0
405.31546	53.4
407.32947	13.4
415.29745	2.4
423.21384	2.4
423.32501	21.8
433.31326	11.1
451.32117	21.2
469.33188	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03952	3.1
55.05515	13.1
57.07073	2.7
65.03915	2.2
67.05509	19.0
69.03433	34.0
69.07069	14.4
69.71851	8.2
77.03917	1.6
79.05492	24.1
81.03425	2.9
81.07056	41.2
83.04984	3.1
83.08620	5.9
89.27767	1.4
91.05483	37.7
93.07044	50.6
95.04966	24.0
95.08609	56.8
97.06537	9.4
97.10175	3.8
98.21466	2.7
99.04449	11.2
103.05464	1.5
105.07034	81.0
107.04970	1.7
107.08594	55.1
109.06519	7.9
109.10158	31.6
111.08070	3.4
112.88937	1.5
115.05471	1.9
116.06226	1.5
117.07023	13.0
119.08583	100.0
119.60094	1.4
121.06503	4.3
121.10146	42.5
123.08073	6.4
123.11676	6.9
125.05989	2.7
127.07516	1.7
128.06235	4.1
129.07022	12.7
130.07832	2.5
131.08569	44.3
133.06491	1.7
133.10129	58.9
135.08037	4.3
135.11702	16.8
137.09654	3.8
139.07573	2.0
141.06998	2.4
142.07744	8.5
143.08571	28.0
144.09303	5.0
145.10123	57.0
147.08073	6.5
147.11694	35.0
149.09636	7.7
149.13255	11.6
151.11189	3.0
153.09261	2.7
155.08530	7.1
156.09358	6.7
157.10146	30.4
158.10950	3.4
159.08105	1.7
159.11690	42.1
161.09622	4.3
161.13246	43.8
163.11157	1.9
163.14827	18.2
169.10179	7.6
170.10960	3.9
171.11678	20.3
172.12497	2.4
173.13268	24.3
175.11163	4.0
175.14848	25.7
177.16382	12.5
179.10622	3.6
182.10905	1.9
183.11720	5.4
184.12517	3.9
185.13289	9.4
187.14825	41.5
188.15247	1.4
189.12744	5.6
189.16379	58.2
191.14355	4.9
191.17961	5.7
197.13348	3.8
199.14838	31.7
201.16391	52.8
203.14281	11.4
203.18005	16.0
205.15918	5.3
207.13841	5.6
207.17473	2.8
209.13240	2.0
211.14883	3.9
213.16360	21.0
215.14491	7.2
215.17960	33.5
217.15883	40.3
217.19518	5.4
219.17447	2.2
221.13287	1.3
221.15460	6.0
225.16484	3.6
227.17998	4.3
229.15927	4.7
229.19550	4.9
231.17435	4.5
233.15419	7.9
235.16925	25.8
239.17937	3.8
241.19557	7.3
243.17529	1.9
243.21104	6.6
247.16972	14.6
249.18553	2.4
253.19527	1.6
255.21147	5.2
257.22800	2.3
259.17038	2.1
261.18503	14.5
267.21057	6.0
279.21204	1.7
283.24451	2.0
287.19952	2.2
299.20078	2.3
349.28958	3.0
355.26483	1.6
387.30490	4.2
393.31741	3.3
395.29568	5.6
405.31473	18.5
407.33380	2.3
421.30850	3.2
423.32578	26.6
425.34186	2.9
433.31009	6.7
451.32047	18.0
469.33170	97.4
470.33505	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	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05500	15.7
55.44785	5.3
55.76522	4.9
57.03453	6.4
61.72139	5.4
64.78311	5.0
67.05507	46.9
69.07055	24.6
69.44838	40.2
73.22489	6.0
76.85128	5.8
78.78360	5.8
79.05509	28.4
81.07064	61.8
83.08610	18.1
91.05481	35.9
93.07039	59.1
95.04962	14.5
95.08604	79.5
97.02874	6.7
98.20779	12.4
99.04443	14.2
105.07034	80.2
107.08602	93.5
109.06508	10.2
109.10166	39.9
109.30920	5.6
111.04447	16.6
111.08089	6.9
117.06985	16.2
119.08590	100.0
121.06533	13.6
121.10153	63.9
123.08110	7.6
123.11697	12.1
129.07033	8.5
131.08574	47.3
133.10144	74.0
135.08038	22.5
135.11705	45.6
137.09637	29.3
137.13281	9.3
142.07764	8.8
143.08553	15.7
143.54150	5.5
145.10123	58.1
147.08049	10.8
147.11719	48.8
149.09625	15.0
149.13235	22.7
151.07596	6.5
157.10115	23.6
158.10867	9.8
159.08102	6.7
159.11662	40.7
161.09579	15.7
161.13260	32.1
163.11163	37.5
163.14822	22.6
165.09105	8.8
170.10794	8.2
171.11661	19.3
173.09604	7.6
173.13300	47.9
175.11102	12.5
175.14885	36.8
177.12782	9.3
177.16394	20.3
179.10652	10.3
183.11685	14.1
185.13275	22.9
187.14844	50.2
189.12842	9.0
189.16399	47.5
191.14340	49.2
191.17975	14.1
191.80740	6.2
197.13159	11.8
199.14804	14.8
201.12720	19.1
201.16356	40.6
203.14297	23.6
203.17984	73.8
205.15822	12.3
205.19623	7.6
211.14726	6.7
213.16351	12.0
215.14288	17.8
217.15941	17.3
219.13857	89.8
219.38708	7.2
221.15364	13.6
227.18068	9.0
231.17461	11.1
233.15321	12.1
235.16823	12.4
247.16902	7.4
249.18646	9.7
255.09213	9.7
269.18954	8.4
271.23718	5.8
327.23132	7.4
365.28326	11.0
405.31683	39.0
423.32648	86.2
433.31024	8.0
439.31314	6.2
451.31833	25.1
469.33560	75.5
474.89743	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	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01857	5.0
55.05519	10.6
56.96564	2.7
57.03442	3.7
57.07068	6.3
67.05514	14.6
69.03418	3.8
69.07069	22.2
69.41491	17.1
73.02912	4.8
75.39603	2.1
79.05495	23.8
80.24306	2.5
81.03414	3.7
81.07063	70.1
82.07389	9.7
83.04978	9.9
83.08627	5.4
85.02932	4.0
89.03927	6.0
91.05484	18.2
93.07054	30.5
95.05006	4.5
95.08060	3.9
95.08611	44.2
97.02921	2.3
97.06533	46.1
97.10168	2.6
98.06866	4.8
98.58584	2.0
98.97607	4.7
105.07042	48.8
107.08598	42.6
109.06522	5.1
109.10165	28.9
111.08108	3.1
117.03382	5.9
117.07024	9.5
117.95949	2.2
119.08585	56.0
121.09351	2.6
121.10160	40.0
123.08056	2.6
123.11706	13.7
125.09628	6.5
129.07011	6.7
130.07736	2.6
131.08575	29.3
133.04958	2.6
133.10136	41.5
134.05278	3.8
135.04460	3.6
135.08025	2.7
135.11725	16.6
137.09641	4.4
137.13190	3.7
138.13597	2.5
142.07718	3.3
143.08543	11.9
144.08064	2.8
144.09360	3.1
145.02861	6.7
145.04866	3.3
145.10129	44.9
147.11722	19.8
149.09633	3.5
149.13251	6.2
151.11197	4.5
155.08568	3.8
157.10156	17.5
159.11703	35.6
161.02328	8.0
161.13248	17.1
163.03920	46.5
163.14838	9.5
169.10146	6.6
170.10950	2.7
171.11778	11.8
173.02371	33.5
173.13258	21.5
175.14862	22.2
177.16360	4.7
183.11737	5.4
185.13312	15.0
187.14851	21.5
189.16399	16.6
191.03430	3.0
191.14270	10.9
191.17929	4.4
193.15898	4.2
197.13292	6.2
199.14819	14.5
201.16411	29.6
203.14319	10.1
203.17886	3.6
205.15892	34.3
207.17442	3.1
211.14816	7.6
213.16360	10.7
215.07037	36.7
215.17900	4.4
216.07536	2.7
217.15834	11.2
219.17461	27.9
229.15900	8.0
231.17508	7.4
233.15433	3.7
233.19035	3.2
241.19373	2.3
243.06998	2.3
249.02829	3.7
251.16339	5.9
259.09686	100.0
259.20523	3.6
260.10056	14.1
277.10712	16.1
277.17920	2.7
283.20645	5.7
302.04279	2.9
311.23535	4.7
353.06329	2.4
393.31503	4.1
405.31805	15.9
423.32471	24.8
451.32196	9.4
469.11121	2.8
469.33414	21.0
470.12381	2.4
487.18185	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	468.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.8
57.03440	30.9
57.07084	15.5
59.05016	6.7
61.02960	4.3
62.17027	3.4
69.03436	95.8
69.07068	19.1
69.61469	13.7
69.61899	11.9
73.02920	3.6
75.74739	3.7
81.07052	21.0
83.04924	3.9
83.08629	52.5
85.02920	74.1
85.03381	3.1
86.09715	6.3
87.04478	52.4
93.07063	4.6
95.04999	4.2
95.08633	7.9
97.02908	77.6
97.10172	8.2
98.10940	3.3
98.21550	4.4
99.08128	3.8
109.10188	5.6
111.35820	4.3
115.03945	97.5
119.08627	5.2
120.42708	3.8
127.03947	11.0
133.04979	100.0
139.02180	4.2
145.04955	12.5
150.07635	11.5
153.01862	10.1
157.15891	34.1
163.06158	5.6
163.14893	5.0
204.13811	3.7
235.16959	9.6
253.18053	6.6
277.09271	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	468.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60107	2.1
53.03951	3.3
55.01875	11.7
55.05512	17.5
55.90160	2.1
56.58929	2.0
57.03440	20.0
57.07084	16.6
57.07472	2.2
61.02936	19.2
67.05506	10.2
69.03082	4.6
69.03432	44.5
69.07068	33.9
70.68142	6.6
71.01366	5.8
71.04981	2.7
71.08639	6.5
73.02922	73.6
79.05505	12.6
81.03416	9.5
81.07057	13.0
83.04975	6.2
83.08622	73.3
85.02909	100.0
87.04475	8.8
88.70909	2.3
89.03917	7.1
91.03950	4.9
91.05471	6.3
93.07046	5.0
95.04985	10.8
95.08618	10.5
97.02897	68.7
97.06544	13.3
97.10180	9.4
99.04490	3.5
103.03965	3.1
103.05496	2.8
104.10764	3.6
105.07035	6.0
107.04964	3.6
107.08609	3.6
109.02872	12.5
111.04472	3.6
114.25060	2.0
115.03928	28.2
117.03394	9.0
119.08590	2.8
119.28250	2.6
127.03931	27.8
131.04970	5.6
133.04967	38.4
133.10103	2.6
135.04428	12.4
139.14807	2.9
143.08522	2.8
145.02888	15.1
145.04962	37.6
145.10155	3.2
150.07642	5.0
153.01819	12.5
154.02196	5.0
157.06557	2.9
157.15891	55.3
159.04425	3.3
163.03912	73.2
163.06075	9.4
163.14766	3.6
164.04263	7.0
173.13280	3.3
195.08189	3.2
199.06105	3.0
213.09201	3.1
223.05986	5.5
235.16940	7.1
241.08676	88.6
253.18115	3.6
259.09796	54.3
260.10110	2.7
283.19034	3.0
311.25031	2.9
326.77026	2.7
333.44696	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	468.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76591	2.7
67.05497	8.6
67.77804	2.7
69.07072	4.3
69.42381	21.9
69.42737	2.8
76.92761	2.5
83.05011	3.6
95.04961	18.2
97.06520	22.2
111.04408	3.3
115.05459	2.9
131.08543	2.9
135.04391	5.3
141.06961	5.1
160.05251	12.0
161.06004	26.7
162.91147	2.7
163.03909	38.8
165.05498	3.3
167.08577	4.4
169.06487	6.5
173.06033	7.4
175.03928	3.3
175.07545	3.0
187.07564	4.0
189.09117	41.1
190.18259	2.6
195.08025	6.0
200.04556	3.2
213.09155	9.7
215.07034	40.4
217.08595	11.7
219.41875	3.1
231.10086	7.3
241.08621	3.3
252.12558	2.5
259.09650	100.0
277.10754	12.0
295.79825	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22355	2.8
53.03941	4.3
55.01867	6.6
55.05505	8.0
57.03432	9.8
57.07080	7.2
57.69053	2.6
58.82352	2.5
61.02917	5.9
67.05503	10.3
69.03436	14.7
69.07076	29.4
70.66123	5.6
70.66499	5.8
73.02914	18.9
79.05500	11.1
81.03390	3.7
81.07064	7.4
83.04980	5.1
83.08626	30.5
85.02907	39.8
88.19401	2.4
89.03928	7.2
91.05475	3.6
93.07043	2.9
93.87376	2.5
95.04984	6.3
95.08594	3.2
97.02895	22.5
97.06543	26.5
97.10197	3.2
107.04980	3.4
107.08628	4.5
109.02882	4.5
115.03937	7.7
117.03405	12.1
119.08591	5.1
121.10212	2.6
127.03899	13.2
129.07019	3.0
131.04971	3.2
133.04974	12.8
134.03650	4.9
135.04427	15.5
145.02858	17.4
145.04974	15.1
145.10132	3.1
153.01817	13.2
154.02205	7.1
157.10188	3.5
157.15897	26.2
163.03915	100.0
163.05992	4.2
164.04327	3.4
174.35078	2.6
180.65239	2.8
200.53493	3.3
230.23061	3.1
241.06258	5.4
241.08640	86.7
251.15495	3.0
259.09698	85.7
294.05963	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
67.05521	3.9
69.03424	2.2
69.07069	6.9
70.06615	2.4
71.48286	3.3
71.48664	2.0
79.05490	4.7
82.67071	1.4
83.04980	3.3
83.86261	2.0
91.05479	2.0
95.04984	7.4
97.06544	30.4
105.07060	2.9
109.02861	1.8
111.04410	2.3
115.05424	2.0
123.04471	4.0
128.06210	3.5
129.07018	7.3
135.04404	4.4
139.03868	1.7
141.07043	5.2
143.08578	3.7
145.10193	2.0
147.04485	3.7
152.06256	5.3
153.01866	7.3
153.07036	2.4
154.02176	3.8
155.04893	2.0
157.06528	7.8
157.10136	4.2
160.05209	6.4
161.05986	31.3
161.07277	2.6
163.03934	37.2
165.05563	1.6
165.07071	3.3
167.08597	12.7
169.06546	3.7
171.08067	3.9
173.05989	9.9
174.06750	4.5
175.03900	4.3
175.07532	13.2
181.06464	2.8
184.05180	8.7
185.06047	8.2
185.09633	9.9
187.07605	8.8
189.05501	2.9
189.09123	24.5
195.08092	16.5
197.06027	5.8
198.06769	4.1
199.07596	6.5
201.09193	5.5
202.06325	2.0
203.07069	11.2
203.10632	4.1
211.07396	2.8
213.05666	3.4
213.09128	46.8
215.07062	28.8
215.10715	5.8
217.08614	20.1
223.07564	6.0
226.06290	3.9
231.10158	21.6
241.08623	36.5
242.08958	1.9
259.09689	100.0
260.10062	2.6
277.10760	11.5
312.41132	1.8
361.48764	1.8
362.22171	1.7
363.11987	1.8
433.14685	2.4
468.09537	1.8
468.17783	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	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05512	12.8
57.03437	3.4
57.07079	37.6
59.05003	3.0
61.26013	0.7
65.03952	2.6
65.27059	0.7
67.05508	100.0
69.07074	11.1
71.00105	0.6
71.04996	3.6
71.08636	28.8
71.49820	1.2
77.76945	0.7
78.02064	0.9
79.05504	5.0
81.07057	27.8
83.08620	15.7
85.02913	1.1
85.06551	2.7
85.10191	15.2
89.06053	1.5
91.05493	6.6
93.07046	5.1
95.08609	27.9
97.10181	5.6
98.98470	7.0
99.08103	1.0
99.11727	1.4
105.07021	1.0
107.08618	2.7
109.10160	78.6
110.10457	0.9
111.08090	3.0
111.11711	1.4
117.21294	0.8
119.08606	4.8
121.10220	0.9
123.11701	5.2
125.09698	0.8
125.13297	1.2
127.11227	0.7
131.08568	0.8
137.09651	3.0
137.13278	2.3
151.14870	0.8
153.01881	1.7
155.01057	6.4
155.10670	5.2
173.11752	23.7
173.13197	1.6
179.43509	0.7
186.77228	0.7
218.36310	0.8
228.29080	0.9
239.23705	9.0
313.27386	17.7
323.99210	0.7
449.26822	2.2
467.37354	77.6
468.37674	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	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05243	0.7
55.05510	12.4
57.03449	1.4
57.07077	35.1
57.60231	0.6
59.05005	4.1
60.92399	0.7
65.03951	3.1
67.05507	100.0
67.70800	0.6
69.07068	9.3
71.04996	3.1
71.08633	25.6
79.05507	3.6
81.07056	26.5
83.08619	13.8
83.09064	1.0
85.06562	2.2
85.10190	13.6
90.37168	0.8
91.05482	5.8
93.07053	2.7
95.07991	1.3
95.08610	24.8
97.10190	5.3
98.20809	1.3
105.07040	0.7
105.78978	0.6
107.08618	2.2
108.12611	0.6
109.10161	71.3
110.10495	0.9
111.08082	2.2
111.11742	1.9
119.08583	4.6
123.11710	4.1
137.09628	2.2
137.13254	1.5
151.14873	0.8
153.01976	0.7
155.10655	6.7
166.24448	0.6
171.11551	0.7
173.11746	21.5
209.36435	0.6
239.23648	9.0
254.80101	0.7
315.08893	0.7
457.76999	0.6
467.37360	74.6
468.37601	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.8
53.21482	0.6
55.05512	13.4
57.03434	1.8
57.07077	39.3
59.04999	3.8
65.03938	3.1
67.05507	100.0
68.05827	1.1
69.07065	9.5
69.23807	5.7
71.05002	3.7
71.08633	25.0
71.39661	0.7
71.81350	0.6
75.82137	0.6
78.00604	0.6
79.05488	3.2
81.03439	0.9
81.07060	28.6
83.08150	1.2
83.08624	14.8
85.06544	3.5
85.10189	16.0
89.06022	0.7
89.47866	0.6
91.05481	7.0
93.07050	3.8
95.04994	1.0
95.08612	25.3
97.10162	4.9
99.11746	0.8
107.08602	3.0
109.10159	82.7
110.10535	0.5
111.08083	2.5
111.11721	1.6
119.08604	4.8
123.11709	4.6
125.13302	1.6
137.09622	3.8
137.13266	1.9
138.63992	0.5
151.14851	1.1
153.01820	1.2
155.10664	7.1
171.90572	0.6
173.11737	23.8
173.13202	1.3
186.96886	0.8
193.12140	0.7
221.22778	1.1
239.23692	9.0
258.70279	0.6
259.00943	0.6
438.22501	0.8
467.37344	86.0
468.37506	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	467.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31761	0.7
56.96551	2.2
58.27425	0.6
64.81519	0.6
66.24268	0.7
68.37096	0.7
68.98282	1.0
70.99854	0.9
71.48293	0.9
71.48675	1.0
82.99806	3.4
86.99340	0.8
89.03918	6.9
95.04966	1.2
97.02924	0.9
101.00888	18.8
103.02443	1.6
107.04948	3.1
113.00881	8.2
113.04492	1.0
115.02427	4.5
117.03379	6.1
118.03716	0.8
119.01924	19.3
126.20949	0.6
127.02413	2.5
129.03984	2.1
131.01915	13.8
131.05537	6.9
133.03481	3.4
135.04428	12.0
136.04747	1.5
137.00832	2.8
143.01906	71.4
144.02002	1.6
145.02792	5.2
145.03549	4.0
145.07054	0.7
146.03186	1.5
147.01384	1.1
147.05014	2.6
149.02916	0.9
149.06606	5.4
153.01869	6.0
153.03926	1.0
155.01900	24.2
155.05504	4.5
156.02621	2.2
157.03477	3.1
157.07034	0.8
159.05057	4.0
161.02966	60.7
162.03061	0.9
163.03909	60.7
164.04230	8.9
165.04335	1.0
167.05612	0.9
167.76747	0.8
169.03459	3.0
169.07144	1.3
171.05009	2.9
173.02985	15.4
173.06599	27.1
175.04494	0.9
177.06111	4.6
183.08661	0.8
184.04559	1.0
185.01303	0.7
185.02991	2.2
185.06609	32.3
186.06837	1.0
187.04539	2.5
187.08197	6.0
191.07619	6.6
195.05086	1.0
197.02930	1.1
197.06648	2.4
199.08182	2.6
201.06093	1.8
203.02269	1.3
203.04010	9.7
203.07649	12.9
205.09279	1.3
206.03433	1.2
209.02875	0.8
209.06529	1.8
215.07645	13.5
217.09137	1.4
217.48482	0.8
221.02963	5.8
221.05084	16.5
222.84007	1.0
227.07600	3.6
231.01839	1.0
233.08696	3.2
233.97217	0.7
237.00420	0.8
239.04005	1.5
249.02815	1.2
251.98114	0.8
255.01759	1.5
257.04971	1.3
257.08676	4.3
269.38593	0.8
273.02493	1.1
275.06317	2.4
275.09756	39.3
276.09964	1.4
293.10818	100.0
294.10922	3.9
311.05804	0.9
311.09619	0.9
316.12430	2.2
335.11972	1.1
349.07684	1.2
361.13489	1.4
363.11359	2.0
368.07040	0.9
377.07043	3.8
378.07727	1.0
379.06958	0.9
386.07632	1.5
395.08224	3.5
408.02216	0.9
412.06607	0.8
413.08795	0.9
449.15146	40.7
450.15598	1.6
467.16367	20.9
468.16208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.1
69.03432	1.0
69.89156	3.5
69.89474	0.6
74.49522	0.7
75.91042	0.8
82.99847	1.5
83.04970	1.0
86.38454	0.6
95.04965	1.2
97.02885	0.8
98.21554	0.7
101.00879	12.0
105.08273	0.8
109.01403	1.3
119.01927	15.7
120.94315	0.7
121.02880	3.2
122.40408	0.7
127.02419	10.8
127.91382	0.6
129.03963	0.8
131.01860	0.8
133.03502	0.8
137.02908	2.1
143.01888	1.8
145.03464	22.8
151.02380	1.7
153.03949	3.0
157.03468	5.3
161.02975	2.1
163.04475	0.8
167.01932	2.4
169.03470	40.6
170.03612	0.8
171.01328	0.7
171.05066	6.1
173.02892	1.2
175.04518	1.4
177.04024	1.1
179.01845	1.6
185.02965	11.8
185.06538	1.4
187.04524	38.8
188.04721	1.4
189.02419	1.1
195.05028	6.3
197.02972	10.1
197.06551	1.0
203.03951	1.7
205.05585	2.4
210.06047	0.8
211.02768	0.9
211.04474	3.4
213.02455	1.5
213.06087	2.9
215.04027	10.8
217.00647	1.3
219.05037	0.9
221.02907	2.2
223.04576	6.3
229.05582	19.0
231.03493	1.7
233.05095	1.2
237.06076	1.8
239.04027	2.6
240.01309	1.0
241.05580	1.3
247.04497	1.2
247.06679	7.5
249.01631	1.4
255.07161	2.0
257.05112	2.8
265.05557	1.7
275.06119	100.0
276.06320	1.6
283.06570	3.6
293.07190	12.2
301.07693	16.7
303.05664	8.6
311.06238	1.0
316.08646	1.2
321.06564	1.5
329.07120	7.0
341.06741	0.8
347.08182	3.5
371.04453	2.6
371.54498	2.1
372.04163	0.9
389.09256	20.3
407.10330	24.1
425.11365	11.0
433.84116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01863	2.3
55.05502	0.9
57.03456	5.4
57.07072	2.5
61.02928	3.4
67.05520	4.2
69.03433	8.9
69.07073	4.7
71.01340	0.9
73.02927	16.9
79.05496	9.1
81.03428	1.4
81.07062	100.0
82.07411	0.8
85.02909	23.3
87.04449	1.3
93.07055	1.8
95.08613	20.3
96.83068	0.7
97.02895	14.5
99.04456	0.9
103.03950	1.0
109.02863	0.7
109.10186	1.5
115.03934	6.3
127.03950	8.4
133.04979	12.1
137.12206	1.0
137.13269	21.2
145.04965	9.2
150.07651	1.4
163.06006	7.5
183.34259	0.6
199.06094	0.8
217.07074	0.6
223.06021	2.4
241.07140	3.1
259.08267	2.9
277.09332	0.9
295.10242	2.2
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
50.01603	0.4
50.18841	0.3
51.02381	0.8
53.00319	0.3
67.05846	0.2
67.55106	0.3
69.03434	1.2
70.00766	0.9
79.01855	6.1
81.03418	1.1
84.12840	0.3
96.90460	0.2
97.02885	1.2
107.01327	1.4
109.02898	0.8
123.00824	0.4
125.02360	2.9
127.03907	1.3
131.26660	0.3
143.03397	6.1
153.01834	100.0
153.02907	6.6
154.02193	0.5
191.03380	0.5
201.41884	0.3
233.04396	0.3
237.03937	1.9
261.04068	0.2
279.05017	0.5
297.06085	0.9
301.28989	0.3
306.49609	0.3
356.31912	0.3
357.09161	0.3
449.07080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.5
55.01865	5.3
55.05514	40.0
57.03444	24.9
57.07087	1.9
57.76176	1.3
65.03946	5.2
67.05510	100.0
68.05869	1.8
69.03443	7.6
69.07076	25.2
70.62070	3.5
71.01353	6.3
71.05005	12.2
73.02927	1.5
77.03900	1.8
79.05500	91.1
81.03424	73.6
81.07063	64.1
83.04989	26.3
83.08147	2.8
83.08625	34.8
85.02912	36.6
85.06538	5.4
91.04904	3.2
91.05484	77.7
93.07050	90.9
95.04973	49.6
95.08607	21.0
97.02896	4.4
97.06533	18.1
97.10177	16.0
99.04467	2.5
99.08102	3.9
105.04517	3.5
105.07038	35.5
107.04952	11.7
107.08603	48.1
109.06514	7.5
109.10157	13.1
111.04455	3.8
111.08093	17.3
113.06010	2.4
115.05462	2.9
117.07021	10.2
119.08591	27.9
119.09386	2.9
121.06539	5.9
121.10148	18.0
123.08086	2.1
123.11707	2.2
125.09634	4.9
127.07561	1.4
129.07016	13.8
130.07797	2.0
131.08580	16.0
133.06491	4.5
133.10143	18.7
135.08075	4.3
135.11702	65.9
137.09612	3.7
140.85364	1.6
142.07791	3.3
143.08577	3.0
145.10115	12.7
147.08075	3.8
147.11693	19.3
149.09605	6.3
153.12704	2.6
157.10121	15.3
159.11795	1.8
163.11180	9.7
165.12817	4.6
175.11200	21.4
181.12244	10.8
189.11224	2.0
193.12262	69.9
194.12631	2.3
205.12241	2.0
211.13301	78.7
255.15903	9.3
267.15945	5.4
303.05136	5.3
329.21191	4.4
347.22144	2.6
355.22745	3.7
373.23734	3.4
393.93692	1.8
421.25946	3.3
424.57556	1.6
447.27451	9.9
465.28549	90.4
466.28802	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	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.9
52.00778	2.0
53.03946	8.6
55.01878	6.1
55.05274	2.8
55.05515	32.2
57.03443	22.1
57.07086	2.9
65.03952	4.2
67.05509	100.0
69.03423	8.0
69.07072	23.5
69.95131	3.4
69.95525	4.6
71.01365	2.7
71.04997	8.8
77.96709	2.5
79.05499	79.8
81.03423	66.6
81.07063	64.8
83.04982	22.6
83.08629	23.6
84.98664	2.3
85.02906	31.6
85.06554	5.8
91.05491	65.2
92.05810	2.5
93.07048	81.9
95.04977	45.0
95.08611	24.1
97.02921	4.0
97.06543	19.5
97.10200	15.5
99.04504	2.2
105.04543	2.9
105.07038	39.3
107.04935	13.0
107.08603	47.3
109.02861	3.0
109.06520	11.4
109.10166	18.0
111.04485	4.5
111.08104	13.5
111.11770	2.6
115.05463	5.3
117.07032	13.9
119.08597	29.9
121.06516	6.4
121.10143	18.4
123.08063	5.2
123.11710	3.8
125.09673	6.2
129.06996	12.5
130.07881	2.7
131.08575	15.4
133.06529	3.3
133.10153	19.8
135.08148	4.1
135.11696	57.3
137.09662	8.1
143.08577	3.0
144.08098	3.8
145.10129	13.7
147.08069	4.3
147.11711	20.1
149.02419	2.8
149.09657	9.2
153.01866	5.2
157.10121	14.1
159.11778	2.3
161.09497	2.3
163.11215	11.2
165.12761	2.8
168.79346	1.9
173.13373	4.2
175.11183	16.3
175.91959	2.2
177.12837	2.6
181.12288	11.5
183.11720	2.4
189.11241	2.9
193.12267	56.9
199.11369	2.6
199.13188	3.2
211.13322	64.8
237.14944	2.6
255.16020	8.0
257.04510	2.9
267.16055	8.5
285.19519	2.1
303.04965	41.3
329.21155	2.8
355.22690	2.2
373.23825	6.6
410.51224	2.1
421.25989	2.4
447.27417	12.2
465.28632	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.4
53.03938	9.4
55.01868	6.0
55.05513	32.2
57.03450	16.2
57.03696	2.6
57.07077	2.9
57.10141	1.6
59.05018	2.1
60.99614	1.7
61.02925	2.7
61.46078	1.8
61.99347	1.9
65.03934	7.4
67.05510	96.9
69.03419	8.1
69.07075	28.5
71.01345	6.3
71.04987	11.8
71.50159	2.2
77.03953	2.5
79.05498	100.0
81.03423	20.8
81.07062	74.5
82.20531	2.2
83.04980	28.3
83.08627	12.0
85.02902	7.3
85.06545	8.3
87.04476	3.4
88.83812	2.2
91.04911	2.5
91.05485	71.7
93.07048	85.1
95.04974	51.2
95.08604	27.0
97.06528	22.3
97.10183	15.5
99.08104	3.7
103.05468	2.3
105.04538	2.5
105.07035	44.4
107.04955	9.7
107.08595	56.9
109.06520	15.9
109.10165	16.6
111.04449	4.8
111.08109	6.9
113.06032	2.3
117.07004	14.2
119.08587	30.3
121.06496	3.4
121.10144	13.6
123.08083	5.4
123.11713	6.1
125.09634	5.3
128.06242	2.3
129.06999	12.0
131.08551	10.3
133.06493	5.5
133.10138	36.0
135.08076	16.0
135.11705	63.6
137.09671	5.7
142.07780	4.4
145.10132	18.9
147.08057	3.8
147.11687	23.2
149.09589	9.9
151.11185	14.8
157.10135	11.7
163.11166	19.7
165.12837	12.6
175.11169	15.0
181.12251	14.3
192.96953	2.1
193.12247	27.9
211.13260	23.4
253.14304	2.4
255.15889	9.5
267.15878	11.4
303.04996	22.2
355.22806	2.9
373.23996	4.6
447.27344	11.0
465.28528	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01873	16.0
55.05281	1.8
55.05517	26.4
57.03440	11.3
57.07079	10.2
67.05508	13.2
69.07069	28.6
70.95351	3.1
71.08630	6.5
73.02917	7.9
73.59737	1.4
79.05492	6.4
81.07069	13.8
83.08622	24.6
91.05489	1.7
93.07040	7.8
95.08605	8.0
97.06522	4.3
97.10174	15.6
97.39078	1.4
98.98473	56.2
107.08579	4.7
109.10146	4.8
111.08103	2.0
111.11719	6.1
121.10143	9.2
123.11731	2.2
129.05476	4.3
131.08580	2.2
133.10136	1.9
135.11659	6.7
136.99969	3.7
145.10091	2.1
149.13300	1.7
155.01042	46.7
168.41322	1.4
199.14890	3.9
211.03697	1.9
217.49532	1.4
218.25526	1.5
219.21146	3.2
229.04759	3.9
237.22136	9.2
248.67656	1.4
255.23344	1.5
261.59470	1.3
298.68427	1.3
303.04907	2.6
311.25806	100.0
312.26306	3.0
312.78308	1.3
329.87976	1.6
336.13129	1.4
359.16922	1.3
404.15283	1.2
405.31400	3.7
413.16238	1.4
447.25171	12.5
465.34003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42506	0.3
51.64730	0.3
61.02916	0.4
63.60243	0.3
65.03923	0.4
66.95810	0.3
67.05505	0.5
68.99792	0.9
69.03413	1.0
71.06945	0.6
73.02917	2.6
81.03414	0.8
81.07042	0.4
85.02929	2.3
87.04448	0.3
91.04002	0.3
93.07057	0.5
95.04942	0.5
97.02897	1.0
99.04437	0.4
109.02866	0.9
111.00793	1.0
121.02866	1.1
123.04463	0.8
127.03958	0.8
135.04407	0.4
137.02350	3.9
137.06003	0.6
145.06406	0.4
149.02293	0.5
153.01840	5.7
163.03900	1.1
165.01848	2.4
166.88069	0.3
168.39915	0.3
173.06000	0.7
173.41798	0.3
177.05528	0.3
183.02887	1.1
183.04337	0.4
191.82785	0.3
195.02850	0.5
201.05493	2.4
207.34558	0.3
215.06958	0.5
219.06596	0.3
229.04991	6.2
247.06050	1.0
257.04480	3.2
274.04715	0.7
285.03967	1.7
299.05573	0.4
303.05011	100.0
304.05304	1.6
313.03409	0.7
313.50967	0.3
355.04474	2.5
465.08441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.99630	0.3
53.03931	0.3
54.96171	0.3
55.01867	0.3
65.03936	0.5
68.99779	0.9
69.03413	0.5
69.10437	0.3
69.15928	1.2
69.16356	2.3
73.02916	2.9
81.03412	1.0
85.02914	2.6
86.09752	0.3
91.05462	0.4
95.04941	0.6
97.02883	0.7
107.01287	0.4
109.02859	0.7
111.00793	1.1
121.02853	1.3
123.04427	0.8
127.03931	0.7
127.95790	0.3
129.06943	0.5
137.02344	4.2
137.03339	0.5
137.05966	0.6
139.03853	0.3
145.04863	0.3
149.02376	0.4
153.01828	5.8
161.06032	0.5
163.03937	1.3
165.01848	2.2
166.02551	0.5
173.05936	0.8
183.02950	1.1
191.03415	0.4
195.02936	0.4
197.05988	0.4
201.05479	2.5
213.05482	0.4
226.07678	0.3
229.04994	4.6
241.08453	0.5
247.06042	0.6
257.04437	3.7
265.05005	0.4
271.24194	0.3
274.04605	0.9
283.06152	0.4
285.03897	1.9
303.04987	100.0
304.05426	2.1
313.03613	0.9
316.51440	0.3
351.35690	0.3
355.04379	2.5
410.92621	0.4
447.07266	0.5
465.09052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01864	0.7
57.03432	0.7
61.02922	2.6
63.70557	0.6
66.55321	0.6
67.18169	0.6
68.99789	1.4
69.03431	2.4
70.68140	1.1
70.68499	1.3
71.04986	1.5
73.02921	1.0
79.05525	0.7
81.03415	2.3
81.07063	0.6
85.02914	9.6
91.03973	1.3
91.05471	0.6
95.04960	1.1
95.08636	0.8
97.02901	4.1
99.06351	0.6
105.07070	0.8
109.02892	1.6
111.00814	0.9
121.02838	1.4
123.04424	1.3
127.03894	2.1
131.08562	0.7
133.06421	0.9
135.04503	0.9
135.11679	0.9
137.02341	5.1
137.05948	1.0
145.04961	1.4
146.27351	0.7
149.07477	1.0
149.22879	0.6
151.03940	0.8
153.01831	5.8
153.12781	4.1
161.05922	0.7
163.03947	2.0
165.01868	1.8
167.07034	0.8
174.06667	0.7
183.03014	1.0
187.03975	0.9
189.09126	1.1
192.13295	0.7
201.05481	2.2
210.53008	0.6
219.10197	2.2
229.04977	5.4
257.04483	2.9
274.04849	0.8
285.03961	1.4
303.05017	100.0
304.05304	2.1
361.16199	1.0
370.75967	0.6
406.14828	0.7
465.13867	1.0
486.25305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03928	0.6
55.01857	0.6
56.57164	0.4
57.03418	0.9
61.02937	2.2
68.99784	0.5
69.03431	2.8
71.04972	0.5
71.44792	0.8
73.02906	0.6
81.03394	1.9
85.02908	9.1
87.04475	0.4
91.03960	1.2
95.04928	0.5
97.02901	3.4
99.04439	0.7
109.02841	0.7
111.00796	1.4
121.02860	1.7
127.03914	1.8
137.02364	4.4
145.04941	1.3
149.02394	0.7
153.01842	4.5
163.03955	0.6
165.01810	2.3
173.05963	0.7
183.02927	0.9
187.03908	0.8
201.05501	2.6
201.30321	0.4
219.06372	0.5
229.04993	5.4
247.05952	0.8
255.81364	0.4
257.04468	3.6
274.04620	0.8
275.05460	0.6
285.03897	1.5
303.05002	100.0
304.05377	1.4
375.46841	0.5
445.16406	0.5
465.79367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
54.18413	1.7
55.01865	2.5
55.05517	16.1
57.07078	4.3
60.62381	1.6
67.05510	15.3
68.23712	1.7
69.07079	10.0
69.12624	17.4
69.13039	4.4
71.20245	1.8
71.23597	1.5
72.00204	1.8
79.05497	19.4
81.07063	100.0
83.04994	2.8
83.08627	10.6
84.10409	1.9
89.05966	1.8
91.05503	5.3
93.07060	7.7
95.08610	23.8
96.56755	1.8
97.10185	16.5
105.07043	8.4
107.08607	34.7
109.10156	7.7
119.08586	5.3
121.10144	4.4
125.09634	12.6
131.08539	1.8
133.10155	6.3
135.08020	2.6
135.11810	2.2
137.13248	12.4
145.10150	6.6
147.11690	5.8
159.11798	1.9
171.13774	10.0
181.12201	2.3
189.11214	19.4
189.12798	2.7
197.13121	2.3
218.65694	2.2
236.75500	2.2
241.23132	2.0
257.19064	3.0
275.20096	37.5
293.21210	2.8
368.48654	1.9
446.37003	2.9
462.19690	2.1
464.21509	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20895	5.7
55.05502	18.8
57.07067	8.4
59.04994	6.6
59.29908	5.6
67.05499	26.8
69.07063	13.5
77.53262	5.7
79.05511	16.0
81.07063	100.0
83.05032	7.0
85.06527	6.8
91.05456	10.2
93.07049	13.1
95.08610	20.5
105.07036	19.1
107.08609	15.1
109.10150	14.6
119.08588	9.3
121.10165	8.1
133.10155	16.5
135.11650	8.1
137.13228	11.4
171.13835	12.2
181.12248	13.0
256.40616	7.6
261.74762	5.8
464.32938	18.9
465.35889	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	465.1032
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03971	0.3
55.01873	0.3
57.03431	0.4
61.02930	5.9
65.03951	0.3
68.99791	0.8
69.03418	1.0
70.54305	0.5
70.54709	0.5
71.04996	0.4
71.76621	0.2
73.02924	2.0
81.03408	0.6
85.02906	6.1
91.03966	3.2
91.48276	0.2
92.53583	0.2
97.02892	3.4
99.04482	0.2
101.06745	0.3
109.02886	0.7
111.00835	1.1
115.03943	0.3
121.02869	1.0
123.04467	0.3
127.03917	0.9
131.10410	0.2
135.04436	0.4
137.02354	4.0
145.04936	0.5
149.02350	0.7
153.01830	5.0
155.04948	0.3
161.05972	0.4
163.03893	0.9
165.01840	2.1
166.02667	0.3
170.08604	0.3
173.05998	0.7
183.02885	0.8
183.04378	0.4
187.03900	0.4
195.02878	0.3
201.05481	2.1
205.05043	0.3
229.04973	5.1
239.03477	0.3
247.06059	0.9
257.04486	3.0
274.04739	0.8
275.05472	0.3
285.03934	1.7
303.04996	100.0
304.05359	1.6
315.05011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05513	13.0
57.07082	32.2
57.76607	1.2
61.10759	1.1
67.05520	7.7
67.06850	1.0
69.07074	23.3
71.08638	24.1
79.05503	5.5
81.07061	18.8
83.04952	1.5
83.08628	16.4
84.22044	1.0
85.02885	1.1
85.06059	1.1
85.10184	15.3
91.05495	5.1
93.07056	6.9
95.04984	1.7
95.08611	16.5
97.02887	1.2
97.06539	3.6
97.10192	9.5
99.04478	4.8
99.08127	1.0
99.11754	1.7
105.07034	6.1
107.04908	1.2
107.08599	5.6
108.66261	1.0
109.06530	13.1
109.10170	7.6
111.08112	2.1
111.11726	5.4
113.13293	1.4
119.08609	4.5
121.06492	1.6
121.10149	4.2
123.08055	9.1
123.11755	3.8
125.06001	15.7
125.09649	2.8
125.13306	2.1
127.07570	42.4
131.08636	1.8
133.10149	4.4
135.08041	2.5
135.11681	2.2
137.05977	6.9
137.09628	4.2
137.13261	1.4
139.07553	100.0
139.83763	1.0
147.11719	2.5
149.05965	3.6
149.09665	2.1
149.13258	1.9
151.07558	6.5
151.11215	1.8
153.09200	1.4
161.09682	1.1
161.13234	2.7
163.07635	1.3
163.11165	1.5
165.09135	3.2
167.07037	6.3
175.11162	1.3
177.09129	15.2
177.12682	1.1
179.07095	1.5
179.10687	1.8
185.13322	1.0
189.12820	1.1
191.14285	1.7
193.12305	1.7
203.14459	1.5
209.15489	1.3
301.28937	3.5
319.29929	13.5
345.31427	1.2
347.33096	18.2
373.31021	5.5
399.36188	3.7
403.35480	4.3
417.37369	18.0
427.35770	4.1
445.36819	45.7
463.37848	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03945	1.8
55.05515	16.3
57.07083	35.7
58.90162	1.3
67.05513	9.0
69.07075	30.9
69.24203	4.7
69.24625	6.4
71.08635	27.8
79.05502	6.1
81.07060	22.7
83.08624	17.0
85.02924	1.2
85.10193	16.1
91.05502	5.8
93.07052	9.7
95.08604	20.9
97.02899	2.8
97.06535	3.9
97.10170	12.6
99.04469	4.2
99.11760	1.6
105.07047	9.1
107.04978	1.5
107.08595	10.0
108.47987	1.2
109.06527	16.3
109.10155	9.1
111.08101	3.2
111.11736	6.1
119.08597	5.0
121.06513	2.0
121.10142	5.2
123.08051	14.5
123.08839	1.3
123.11716	5.1
125.06004	17.3
125.09669	1.9
125.13299	1.4
127.07561	33.4
131.08589	4.5
133.10130	2.9
135.08064	4.0
135.11719	4.2
137.05984	11.2
137.09630	4.2
137.13263	1.6
139.07545	100.0
145.10158	2.2
147.08069	1.9
147.11742	3.8
149.06004	4.7
149.09636	3.9
149.13290	3.4
151.07518	10.6
151.11249	2.6
153.09149	1.7
157.10146	1.4
159.11745	2.2
161.09673	2.2
161.13330	2.3
162.80859	1.1
163.07550	2.8
163.11247	1.2
165.09122	3.6
167.07062	4.2
169.08661	2.5
175.11237	2.4
175.14896	1.3
177.09131	12.6
179.07056	3.6
179.10677	2.0
180.80516	1.2
187.11333	1.7
189.12737	2.2
191.10683	2.2
193.12332	2.1
195.10255	1.5
203.14343	1.7
205.12207	1.6
207.13792	3.4
221.15479	1.3
249.14909	2.3
263.20325	1.3
277.21658	1.4
285.70615	1.3
291.23212	1.5
301.28912	3.5
319.29974	9.9
347.33072	13.9
373.31079	4.1
385.34625	2.3
399.36438	4.5
403.35828	3.9
417.37216	16.1
427.35767	5.4
445.36816	60.9
446.37408	2.0
463.37894	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	46.6
55.47016	6.2
57.07080	64.4
67.05495	24.5
69.07072	94.5
70.66361	7.9
70.66680	10.2
71.05006	54.2
71.08628	51.4
79.05474	11.6
81.07051	64.1
83.08620	62.9
85.10178	32.4
91.05475	14.1
93.07040	20.9
95.04966	9.0
95.08608	41.1
97.10185	37.5
99.04465	22.1
99.11709	7.3
105.07021	15.8
107.08597	22.8
109.06509	25.1
109.10188	31.4
111.08070	8.1
111.11740	31.9
119.08576	11.5
121.06522	6.4
123.11683	22.0
125.06005	98.8
127.03896	46.6
131.08557	12.7
133.10130	8.8
137.05983	64.2
137.09546	8.6
137.13268	9.6
139.07565	44.9
147.11731	10.7
149.05977	11.4
149.09645	16.0
151.07527	18.2
157.08792	6.5
157.10094	12.0
165.05482	12.9
165.08867	6.4
167.07088	45.6
171.11707	7.1
173.13283	6.6
175.11305	10.1
177.07646	9.2
177.09116	100.0
179.07063	14.9
181.08656	13.4
189.12776	9.6
193.08733	9.4
197.55525	6.5
203.10666	8.4
205.08740	6.5
385.34512	9.1
399.36237	19.6
402.38773	6.8
403.35767	42.1
408.28375	7.0
417.37210	19.4
427.35126	14.7
445.36938	48.8
463.37381	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	463.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80072	1.8
53.03939	2.1
55.01851	3.3
55.05269	2.7
55.05513	29.4
57.07079	43.5
62.69676	1.9
67.05502	15.9
69.07071	50.9
70.70818	1.9
71.04606	2.9
71.04993	55.3
71.08303	2.1
71.08639	27.5
71.35066	3.1
79.05492	5.2
81.06605	2.5
81.07060	36.9
83.04970	3.1
83.08628	38.7
85.10188	21.4
91.05493	3.1
93.07029	5.6
95.08614	31.5
97.06507	4.8
97.10178	35.0
99.04451	22.4
99.11702	2.5
105.07012	2.6
105.69906	2.1
107.04967	3.2
107.08572	6.7
109.06520	10.9
109.10164	30.1
111.04426	3.5
111.08074	3.0
111.11723	27.8
119.08546	3.1
121.10123	4.5
123.11705	18.5
125.05994	100.0
125.13264	9.5
127.02983	3.5
127.03919	59.4
127.14837	2.9
128.86444	2.1
131.08571	2.1
133.10117	6.3
135.08067	2.7
135.11678	3.2
137.05983	51.1
137.13234	5.0
147.11754	3.0
149.06039	4.1
151.07538	3.4
157.10129	3.4
159.11717	2.1
161.09612	8.9
161.13295	4.5
165.09077	3.0
165.16365	3.3
167.07036	42.3
171.11711	4.3
175.11176	3.1
177.12822	3.0
179.07108	2.4
189.12770	3.9
198.10405	4.7
213.12726	6.9
221.73920	2.5
263.27460	2.8
277.21463	2.2
319.33582	2.5
385.34628	5.7
399.36221	3.6
403.35703	36.6
427.35825	2.9
443.41867	2.2
445.36667	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	463.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.8
53.03942	8.3
55.01862	6.1
55.05515	27.5
57.03440	9.9
57.07072	3.6
58.75169	1.4
65.03924	3.4
67.05509	86.3
69.03433	2.1
69.06740	1.9
69.07076	27.2
71.01339	1.9
71.04996	9.4
71.49604	2.1
79.05499	68.8
81.03438	10.3
81.07063	100.0
82.81303	1.6
83.04977	11.9
83.08626	20.7
85.02940	1.4
85.06532	6.2
91.05484	40.2
93.07048	80.3
95.04981	13.4
95.08611	32.3
97.06538	14.8
97.10154	4.2
99.04445	2.4
99.08106	3.5
105.04470	2.7
105.07048	21.3
107.04953	5.5
107.08597	44.6
107.83996	1.5
109.06522	6.4
109.09496	1.9
109.10149	9.8
111.04477	2.3
111.08078	10.2
113.06039	1.5
117.07018	17.3
119.08593	13.0
121.06506	4.4
121.10148	27.5
123.08088	3.6
123.11672	3.5
125.05978	1.4
125.09615	3.0
129.06969	3.2
131.08600	14.0
133.06384	1.5
133.10121	15.8
135.08099	3.3
135.11700	28.9
139.07686	1.7
141.06967	2.3
145.10138	12.0
147.11690	2.0
149.13268	40.3
151.11198	2.7
159.11688	16.9
163.11177	11.3
167.14384	1.6
169.10190	1.8
173.09622	2.5
177.12761	7.7
181.12222	5.9
191.10684	1.5
193.12320	1.8
195.13812	15.9
195.30542	1.4
209.11639	2.3
213.14824	3.3
219.13718	1.8
227.12808	12.2
353.24554	2.6
371.26105	2.8
389.26797	3.7
445.29251	6.1
463.31369	53.7
464.30869	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	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.39148	1.1
53.03951	6.1
55.01866	3.7
55.05270	2.1
55.05514	24.5
57.03432	6.3
57.07066	3.0
65.03940	3.8
67.05505	85.2
69.03432	1.9
69.07069	28.3
69.14150	10.7
69.14561	2.9
71.01340	1.3
71.05004	6.7
73.02901	2.0
79.05495	58.2
81.03416	5.5
81.07055	100.0
82.07372	1.2
83.04996	7.7
83.08616	19.9
85.02903	1.8
85.06532	6.7
88.75598	1.4
91.05482	42.1
93.07042	75.7
95.04973	8.9
95.08606	29.7
97.06545	12.9
97.10187	3.0
98.20756	3.2
99.08113	5.0
105.04492	2.0
105.07033	22.0
107.04974	3.3
107.08594	41.3
109.06529	6.4
109.10172	10.8
111.08071	10.5
113.05997	1.7
113.09686	1.7
117.07019	15.9
117.84892	1.3
119.08570	13.5
121.06511	5.2
121.10127	23.3
123.08063	3.3
123.11727	4.3
128.06219	1.7
129.07016	4.4
131.08559	21.4
133.10139	14.7
135.08044	3.7
135.11697	16.4
139.07613	1.7
139.11130	2.0
143.08591	5.2
145.10121	6.8
147.11723	4.2
149.09653	2.8
149.13263	41.8
151.11163	2.3
155.08568	3.2
157.10088	3.0
159.11700	19.2
161.13284	1.9
163.11223	2.9
167.14392	2.0
171.11726	2.0
173.11838	1.6
177.12723	11.5
182.54741	1.4
185.13225	1.7
195.06526	1.6
195.11964	2.1
195.13792	16.5
199.14920	1.8
209.13397	1.9
213.12863	1.4
213.14767	2.2
232.94946	1.3
238.68478	1.3
245.15623	1.3
247.16940	1.5
273.18558	2.6
291.19482	4.2
335.23752	1.8
343.26428	1.7
353.24820	7.4
371.25967	8.4
389.26788	6.6
445.29254	14.3
463.30609	63.6
464.31409	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02375	0.9
51.23280	0.7
53.03948	4.2
55.01875	3.7
55.05516	18.6
55.66907	0.6
57.03445	7.8
57.07065	2.8
65.03945	3.1
65.15555	0.8
67.05510	82.6
68.05849	1.1
69.03418	0.7
69.07072	24.9
71.01363	1.3
71.04994	6.4
71.49184	1.3
73.02901	1.0
77.03930	0.9
79.05500	53.4
80.12154	0.7
81.03425	4.4
81.07060	100.0
83.04984	9.5
83.08627	18.8
83.09127	1.0
85.06552	4.3
91.04906	1.1
91.05487	30.8
93.07050	71.4
95.04976	8.8
95.08613	24.9
97.06535	13.9
97.10187	3.9
99.04468	0.9
99.08102	4.1
105.04523	2.0
105.07045	11.1
107.04973	1.8
107.08604	39.8
109.06505	3.7
109.10159	4.3
111.08092	10.8
111.11755	0.9
113.05988	0.9
113.09650	1.7
115.05424	0.9
117.07026	11.2
119.06125	1.0
119.08568	4.1
121.06524	2.1
121.10153	20.3
123.11735	2.9
125.09678	1.7
127.07547	0.9
129.07053	1.7
131.08585	10.6
131.26825	0.6
133.10146	11.2
135.08072	2.4
135.11707	14.9
139.11211	2.3
143.08557	0.9
145.10161	3.0
147.11739	2.2
149.09625	1.3
149.13271	49.0
151.11157	1.0
159.11713	19.0
159.13045	1.1
163.11188	1.5
167.14268	0.8
169.19341	0.6
177.12769	8.2
181.12241	1.5
195.13815	18.1
195.15508	1.1
209.11844	0.8
213.14946	2.3
241.76004	0.8
253.14452	1.0
370.57599	0.7
445.30099	1.4
463.30716	64.0
464.31125	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01880	2.3
55.05515	18.6
56.03096	1.0
57.03439	7.2
57.07085	2.4
65.03948	3.8
67.05508	80.7
69.07072	27.1
71.04990	6.2
79.05496	54.8
79.07592	1.1
81.03413	6.7
81.07060	100.0
82.07419	1.1
82.92005	1.0
83.04979	7.4
83.08617	18.3
85.06541	6.1
91.05482	34.3
91.06021	1.8
93.07048	70.4
95.04964	7.3
95.08609	24.5
95.09176	1.9
97.06534	12.6
97.10164	2.0
99.04488	1.2
99.08109	4.1
105.04570	2.4
105.07035	12.7
107.05000	2.0
107.08599	37.5
107.09309	1.8
109.06543	4.2
109.10167	8.1
111.08080	7.6
117.07027	9.2
119.08589	6.3
119.37528	1.1
121.06511	3.0
121.10146	21.2
121.52374	0.9
123.08083	1.9
123.11753	3.9
125.09665	1.3
131.08548	12.8
133.10114	14.6
135.08095	4.1
135.11688	15.6
139.11261	3.0
142.94331	1.1
143.08659	2.0
145.10190	2.5
147.08032	1.4
147.11728	2.9
149.09674	2.2
149.12070	2.0
149.13266	39.8
151.11168	2.8
159.11705	17.3
163.11279	3.3
173.13272	1.6
177.12733	7.5
181.12297	1.6
193.12292	1.7
195.13811	19.0
195.15498	1.3
213.15001	2.9
227.12878	2.9
229.37155	1.5
251.16371	1.5
353.25031	2.8
371.26205	1.9
445.29599	3.8
463.30795	59.7
464.31476	1.4
471.66183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
53.97592	0.9
54.94943	0.9
55.01867	3.9
55.05274	1.5
55.05514	22.0
57.03442	9.9
57.07066	3.5
59.04996	1.3
65.03941	4.6
67.02381	1.1
67.05508	86.1
69.03436	1.2
69.07074	25.2
71.04987	7.1
71.08636	1.2
73.02893	1.7
79.05495	58.0
81.03433	6.9
81.07058	100.0
83.01335	1.1
83.04991	12.4
83.08623	21.6
85.06549	6.0
91.05487	35.6
93.07047	80.3
95.04974	10.1
95.08609	27.3
97.05928	1.2
97.06542	15.8
97.10151	3.0
99.04468	1.3
99.08141	4.7
105.04518	3.1
105.07036	12.0
107.04961	2.4
107.08599	44.7
109.06512	4.7
109.10141	5.9
111.08081	9.1
111.11729	1.7
113.09628	1.5
115.05437	1.4
117.07016	12.8
119.08581	5.3
121.06510	4.0
121.10152	21.1
123.08076	1.8
123.11742	2.2
125.09625	2.9
129.07010	1.2
131.08575	12.3
133.10144	13.2
135.08060	3.0
135.10712	1.6
135.11691	23.6
139.11171	1.6
145.10146	4.6
147.11723	2.2
148.23604	0.9
149.09589	1.8
149.12064	2.3
149.13261	42.8
151.11215	2.2
153.12735	1.5
159.10483	1.3
159.11710	16.4
163.11166	6.4
167.14326	2.2
175.84970	1.0
177.12767	7.3
181.12241	2.6
195.13811	21.5
209.11740	1.8
213.14871	2.6
219.13832	2.0
227.12747	2.6
251.16412	1.2
258.80341	1.2
269.17587	1.2
415.09625	1.0
463.31015	53.7
464.31192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03948	5.1
53.63053	0.7
55.01869	5.2
55.05513	23.8
57.03442	8.2
57.07065	3.3
59.04988	1.3
65.03928	4.7
67.05507	87.0
68.05823	0.8
69.03438	1.3
69.07070	31.6
71.01337	1.7
71.04997	7.3
71.08611	0.9
73.02917	1.0
77.03924	1.3
79.05494	61.0
81.03420	7.2
81.07057	100.0
82.07418	0.8
83.01327	1.3
83.04982	11.0
83.08621	17.2
85.02896	1.2
85.06535	5.1
91.05484	34.7
93.07046	82.9
95.04967	8.9
95.08609	26.9
97.06533	16.0
97.10164	4.2
98.20771	1.3
99.04474	1.0
99.08109	4.2
105.04523	3.2
105.07040	12.4
107.04974	3.2
107.08598	45.6
108.74193	0.7
109.06531	4.8
109.10172	5.7
111.08083	9.4
113.06072	1.2
113.09642	1.3
115.05502	1.0
116.06231	0.7
117.07022	14.0
119.06126	0.9
119.08569	7.2
121.06526	3.4
121.10146	25.1
123.08110	2.1
123.11754	2.0
125.09646	2.6
127.07590	1.3
129.07077	2.0
130.07817	1.1
131.08580	14.3
131.09529	1.1
132.70743	0.7
133.10136	12.5
135.08110	3.0
135.11699	26.4
137.09624	1.1
139.07587	0.9
139.11214	2.8
143.08583	0.9
145.10143	7.9
147.08089	0.8
147.11731	2.0
149.09648	0.9
149.13261	44.8
151.11226	1.0
153.12830	1.9
157.10199	1.0
159.11708	18.6
163.11194	9.9
165.12813	0.7
167.14357	1.6
177.12769	10.8
177.50525	0.8
181.12233	4.8
192.38289	0.7
195.13808	16.3
209.12042	2.3
213.15019	2.3
219.13962	2.7
227.12978	3.3
251.16545	1.3
269.17841	0.9
463.31125	52.8
464.31476	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.37947	1.4
57.03421	4.0
57.54095	1.4
63.82373	1.3
70.21400	3.2
70.21792	3.3
71.04607	1.9
71.04996	31.0
85.02431	2.3
85.02909	26.5
129.05453	5.7
137.05980	2.1
139.08676	1.4
141.21719	1.4
153.01840	7.9
166.35139	1.5
166.81540	1.5
226.89801	1.6
228.04259	1.9
229.05016	3.4
240.40636	1.4
245.04567	1.4
245.79126	1.5
246.05270	2.0
252.23235	1.4
273.03912	1.7
274.04721	3.4
285.03876	3.5
302.04257	12.6
317.06583	100.0
318.06866	1.8
451.43582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01878	4.7
55.05516	17.8
57.03440	7.5
57.07068	2.7
65.03944	2.7
66.13134	0.9
67.05508	81.8
69.07073	27.3
70.56117	0.9
71.01345	1.2
71.05001	6.1
71.22503	1.5
77.03939	1.6
79.05498	53.7
81.03433	3.4
81.07059	100.0
82.07414	1.2
83.04987	8.7
83.08621	16.5
85.06553	5.9
91.05483	30.0
93.07048	82.8
95.04969	8.7
95.08612	25.2
96.42240	1.3
97.06534	13.7
97.10159	2.8
99.08133	2.8
105.04539	1.9
105.07037	11.0
107.04994	1.8
107.08596	39.5
109.06557	3.8
109.10147	5.0
111.08092	9.2
111.11716	1.1
115.05423	1.5
117.07026	12.3
119.08617	4.2
121.06522	2.4
121.10157	20.0
121.11044	1.0
123.04483	1.1
123.08135	1.4
123.11745	3.1
126.44574	1.0
127.07604	1.2
129.06993	1.2
131.08580	12.2
133.10141	8.3
135.08118	2.7
135.11693	13.0
139.11247	2.0
145.10152	3.0
147.11749	2.2
149.09630	1.3
149.13264	47.1
151.11267	1.6
159.11702	17.6
163.11215	2.2
167.14375	1.5
177.12720	10.6
181.12340	1.1
195.13812	18.1
209.11629	1.3
213.14961	3.4
227.12831	1.1
254.78096	0.9
265.65665	0.9
316.23209	1.0
348.65219	1.0
352.47980	1.0
389.47122	1.1
419.04327	1.1
463.30740	59.6
464.31268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0872
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01877	0.3
57.03423	0.9
62.51886	0.2
62.86065	0.2
63.56834	0.2
64.89589	0.2
67.01855	0.4
68.99790	0.7
69.03431	0.5
71.01357	1.7
71.41102	0.4
73.02921	2.7
74.21761	0.2
75.04482	0.2
79.05517	0.2
85.02911	8.1
86.24878	0.2
95.01317	0.8
97.02895	0.5
99.00804	0.6
101.02371	0.7
103.03974	0.3
105.03410	0.3
107.04942	0.5
111.00806	0.9
113.02371	4.3
121.02887	3.0
127.03947	0.2
129.15099	0.2
131.03427	1.6
133.02861	0.6
137.02332	1.0
141.01805	1.1
147.04376	0.5
153.01840	4.0
153.89786	0.2
155.45561	0.2
157.06516	0.7
159.02921	1.7
159.34865	0.2
161.05995	0.3
162.36748	0.2
163.03870	0.3
165.01839	1.9
171.04359	0.3
180.91518	0.2
183.02884	1.1
185.06017	0.5
197.05951	0.2
213.05478	1.5
228.95192	0.2
231.06493	0.6
241.04964	1.4
258.05280	0.9
259.05890	0.4
269.04352	0.4
286.04526	0.2
287.05511	100.0
288.05807	2.0
329.06396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01872	3.0
55.05515	4.0
57.07089	2.9
57.57219	1.8
67.05505	19.4
69.03423	2.0
69.07066	8.9
69.29271	13.7
71.04981	2.7
71.25948	1.8
79.05500	17.3
81.07062	100.0
83.04986	4.1
83.08624	5.3
85.06588	1.6
91.05492	12.6
93.07047	9.7
95.04984	3.0
95.08608	21.2
99.04483	2.0
102.57632	1.7
105.07056	15.5
107.08595	14.8
109.06565	2.4
109.10165	25.0
113.06011	1.8
121.06448	2.6
121.10199	2.8
123.11659	4.1
131.08586	3.6
133.10139	29.6
137.13226	9.6
140.45010	1.6
145.10124	2.4
151.11191	22.5
159.11673	2.0
161.09610	2.2
164.46962	1.8
169.12233	7.7
215.12842	4.1
245.19150	1.9
250.42212	1.7
263.20078	2.8
273.18445	4.2
291.19534	10.1
292.23514	1.8
302.83981	1.6
323.45114	1.6
356.28452	1.9
374.04221	1.8
444.58734	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2123
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
58.72975	0.9
59.57623	0.9
69.03410	1.8
70.06585	1.0
71.49322	1.2
71.49996	1.0
73.02921	2.3
73.60667	0.9
77.22028	0.9
79.05491	9.6
81.03407	1.4
81.07049	1.2
85.02894	4.2
88.72494	0.9
89.03918	4.8
91.05478	3.5
92.52039	0.9
93.07035	1.1
97.02885	2.3
103.05471	34.4
105.07016	2.3
107.04298	1.6
107.04955	15.9
108.08116	1.1
109.31823	1.0
113.08892	0.9
117.03393	14.6
119.04937	2.2
120.08120	30.7
120.97071	0.8
121.06503	2.6
127.03940	1.3
131.04939	16.5
133.02872	1.5
133.05443	1.1
133.06425	1.0
135.04448	1.3
137.05994	2.1
144.08087	2.4
145.02856	37.1
145.08447	1.4
147.04384	3.0
148.07530	1.6
149.06009	7.3
149.32036	1.0
150.09129	2.1
151.07576	1.9
152.10713	24.1
161.05930	1.6
163.03908	1.5
165.74327	1.0
176.06996	1.1
177.05481	56.0
179.07076	3.4
193.82410	0.9
201.05482	3.3
202.02295	0.9
239.28723	0.9
248.76952	1.0
268.13379	10.9
269.14093	1.0
287.05261	1.0
300.15982	63.2
301.07324	1.1
301.10904	1.3
301.16147	2.0
316.05276	1.9
325.10889	2.1
338.68735	1.0
373.12677	1.1
402.19342	1.5
462.21149	100.0
463.15787	1.6
463.21832	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	461.3627
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
51.46190	3.1
55.05511	30.4
57.06834	4.0
57.07080	50.9
65.03914	4.6
67.05504	24.4
69.03401	3.8
69.07071	56.3
71.04981	3.0
71.08630	39.7
71.35056	3.3
77.56967	2.9
79.05487	14.8
81.06596	5.2
81.07058	100.0
83.04975	4.0
83.08620	38.5
83.82899	2.7
85.06532	2.8
85.10202	16.4
91.05495	13.4
92.12776	3.0
93.07039	16.3
95.04980	6.2
95.08609	62.3
97.10175	25.1
99.04436	7.3
105.07033	12.7
107.08578	15.5
109.06512	16.7
109.10162	31.2
111.04436	5.5
111.11735	15.4
114.32266	3.1
117.07011	7.9
119.08579	12.3
121.06472	3.9
121.10120	11.2
123.08051	9.1
123.11751	19.3
125.05968	7.9
125.13240	5.2
127.03909	9.8
129.06947	4.0
131.08577	15.9
133.10072	7.0
135.08057	7.6
135.11674	3.1
137.05978	67.9
137.13261	7.9
139.07526	5.7
144.09296	4.5
145.10130	12.8
147.08029	3.9
147.11688	3.5
149.05933	8.4
149.09633	4.6
149.13309	3.5
151.07544	25.9
151.14771	6.0
153.05354	3.4
155.08563	4.4
157.10022	3.2
158.07286	5.8
159.08072	5.6
159.11685	33.1
161.09644	3.9
161.13292	4.0
163.07629	2.9
165.09154	14.8
167.07033	8.0
169.10132	7.7
171.11658	4.9
172.08812	9.0
173.09630	76.1
173.13271	5.7
175.11185	6.1
177.09129	9.4
179.07002	10.3
179.10606	5.6
183.06563	9.1
183.50786	3.2
185.13106	3.6
187.11198	64.2
189.09036	7.0
189.12709	4.1
191.10732	14.4
193.08659	6.5
201.12781	3.9
203.10695	5.5
205.12265	16.5
217.12213	4.3
219.13724	4.6
229.12277	5.9
260.84515	3.1
263.27246	5.3
277.28793	4.1
383.33075	35.8
397.34613	5.3
401.34061	39.8
415.35748	10.3
419.35410	3.2
425.34100	11.6
443.35278	42.6
461.22696	4.2
461.36615	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
53.08991	4.6
55.01871	5.2
55.05516	43.3
57.07082	76.3
67.05511	26.5
69.07069	80.6
70.08197	9.4
70.08591	9.2
71.04993	16.1
71.08638	45.1
79.05508	20.9
81.07063	100.0
83.04966	11.9
83.08622	58.4
85.10184	30.9
85.99699	3.8
91.05475	23.1
92.05820	8.5
93.07035	24.0
95.08611	67.1
95.37753	3.7
97.06525	4.5
97.10168	42.6
99.04456	27.9
105.07012	17.9
107.08592	17.1
109.06514	16.2
109.10167	31.1
111.04401	4.8
111.11722	26.0
116.91562	4.1
119.08588	5.5
121.10130	26.0
123.11701	14.9
125.06002	18.1
125.13263	11.4
127.03931	56.6
131.08554	8.0
135.08069	8.1
135.11696	15.7
137.06004	72.6
137.13263	9.5
141.05484	8.6
145.10086	14.7
149.06017	6.8
149.09596	9.2
149.13239	12.6
151.07564	13.6
153.05446	7.1
155.06984	11.4
159.11664	11.3
163.14767	5.4
165.09163	5.2
167.07033	12.5
173.09627	35.1
175.11174	7.2
183.06543	62.5
187.11182	8.5
191.10616	8.5
191.17896	4.7
193.39621	3.8
196.14774	4.6
278.36819	4.2
317.31982	7.2
335.32925	9.2
383.33139	6.8
401.34167	86.1
415.35507	5.2
419.35153	26.1
443.34897	6.7
461.36252	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.05518	34.7
57.06835	4.3
57.07081	59.0
67.05503	20.9
68.61344	3.3
69.07069	57.7
69.87286	3.5
70.01290	10.5
70.01698	6.0
71.05001	15.3
71.08636	46.3
75.92659	3.0
79.05508	16.1
81.07063	100.0
83.05000	8.4
83.08619	40.2
85.10187	22.4
91.05488	10.0
93.07043	20.9
95.04984	3.5
95.08612	54.8
97.06532	4.3
97.10184	23.0
99.04458	22.7
105.07030	11.8
107.08599	21.4
109.06535	19.1
109.10165	29.2
111.04427	4.5
111.08068	7.2
111.11758	18.3
119.08594	7.0
121.10133	22.4
123.08038	7.3
123.11747	13.6
125.00129	3.1
125.06016	12.7
125.13298	3.8
127.03934	51.7
131.08559	7.1
133.10173	9.2
134.92233	3.1
135.08052	7.1
135.11696	10.7
137.05981	81.7
137.13268	9.0
144.09317	3.7
145.10132	14.5
145.56737	3.4
147.08051	3.8
149.05975	8.7
149.09604	6.5
149.13257	5.4
151.07553	8.4
151.14798	5.7
153.05508	4.9
155.07086	6.2
157.14232	3.6
159.11674	21.8
161.09631	5.2
163.07581	3.8
163.14861	6.9
165.09113	3.9
167.07089	7.2
173.09637	44.2
175.11176	3.7
177.05461	13.4
177.09085	7.6
177.16454	4.1
179.07146	5.6
179.17918	3.4
183.06575	18.2
183.11693	5.0
187.11182	21.7
191.10603	4.0
191.18002	4.8
195.06462	7.1
201.12738	7.4
205.12294	13.3
215.10637	4.1
243.17584	4.3
317.32196	4.5
335.33121	7.8
383.33191	16.5
397.34668	5.0
401.34180	76.3
419.35172	8.9
425.34283	6.0
443.35156	9.6
461.29639	3.4
461.36246	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	461.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80452	2.9
53.03945	4.3
53.90944	2.7
55.01865	4.9
55.05278	2.8
55.05520	43.1
56.39433	2.8
57.06841	3.9
57.07082	53.0
57.95661	2.5
67.05506	26.2
69.06736	3.7
69.07078	56.7
70.66923	6.8
71.04997	15.8
71.08641	42.1
79.05511	15.9
81.07064	100.0
83.04990	7.2
83.08627	39.4
85.06548	5.0
85.10196	18.7
91.05480	8.9
93.07050	25.1
95.07996	2.8
95.08616	58.0
97.06538	3.7
97.10181	26.5
99.04459	29.6
104.39425	2.7
105.07064	12.8
107.08608	22.2
109.06533	12.4
109.10175	29.3
111.04454	7.8
111.08075	8.0
111.11742	24.9
117.07057	5.5
119.08585	6.9
121.10143	20.7
123.08067	8.0
123.11733	16.1
125.06026	17.3
125.13273	5.7
127.03931	70.5
131.08549	5.0
133.10201	4.7
135.08041	6.5
135.11703	9.0
137.04927	4.0
137.05983	81.9
137.13251	6.1
141.05473	4.5
145.10114	11.2
149.09595	6.1
149.13274	8.3
151.07504	8.9
151.14857	2.9
153.05450	3.3
155.06953	4.0
159.11708	16.9
161.13290	3.2
163.07545	3.9
163.14864	5.1
167.07077	4.9
169.10225	2.9
172.08774	3.9
173.09644	36.7
173.13297	4.4
175.11218	6.7
177.09096	6.1
177.16417	4.0
179.22229	2.9
183.06598	21.1
187.11227	16.4
191.10686	5.7
201.12660	3.2
205.12282	8.4
219.13867	3.2
298.35641	2.9
317.31961	3.5
319.87402	2.7
335.33069	9.8
383.33026	12.6
401.34155	78.4
419.35153	13.5
426.70929	3.2
443.35431	6.2
461.36163	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03933	6.1
55.01872	7.1
55.05512	33.3
55.90971	2.5
57.07073	17.0
65.64717	3.1
67.05508	25.8
69.07069	61.3
71.08621	6.9
71.49425	5.2
79.05493	13.5
81.07059	66.0
83.04984	7.4
83.08628	26.5
85.10165	6.8
91.05491	16.3
93.07040	24.0
95.04954	5.7
95.08612	44.7
97.10189	21.3
105.07040	22.3
107.08601	21.9
109.06512	23.1
109.10163	31.8
111.08093	4.1
111.11719	9.3
111.92572	3.3
117.07039	5.4
119.08561	14.1
121.06532	6.1
121.10136	15.6
123.08083	10.9
123.11729	14.0
125.05991	37.4
125.09631	3.4
129.07002	4.2
131.08557	4.3
133.06474	18.7
133.10156	11.9
135.08080	14.2
135.11667	8.3
137.05986	83.4
137.09552	6.7
137.13263	9.8
139.07555	26.8
145.10165	8.2
147.11723	7.0
147.16028	3.2
149.05959	6.9
149.09578	14.8
149.13216	5.8
151.07529	36.0
153.09103	4.8
155.08580	4.4
157.10204	5.9
161.05963	20.1
161.09685	6.7
161.13249	3.8
163.07561	9.4
165.09138	53.8
167.07048	14.8
171.11714	6.2
173.05891	4.1
173.13287	4.9
175.07544	4.7
175.11189	10.7
175.14870	4.0
177.09151	9.2
177.12753	4.8
179.07050	100.0
181.08621	6.4
183.11694	3.7
185.13300	7.4
187.11128	4.4
189.09151	5.7
189.12761	8.6
191.10710	5.8
201.12779	3.8
203.10712	12.6
203.14273	4.7
205.12259	12.4
217.12276	4.1
221.11700	3.9
229.12341	4.8
231.13788	8.3
243.90224	3.2
246.84644	2.8
334.01770	3.0
343.97659	3.3
373.17181	3.4
380.63040	3.4
397.34567	5.3
399.36304	7.7
415.35635	8.5
425.34079	12.3
433.36676	6.4
443.35324	86.3
461.30115	5.8
461.36374	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01850	1.7
55.05514	9.9
55.18097	1.1
57.03425	1.2
57.07060	1.7
59.16256	1.1
65.03947	1.7
65.63035	1.0
67.05508	17.8
69.03428	2.6
69.07076	9.6
70.28675	1.1
70.93598	1.1
71.04984	2.3
71.48638	2.0
77.69708	1.1
79.05501	11.8
81.03418	6.0
81.07054	17.2
83.04967	3.6
83.08609	5.8
85.02913	1.4
85.06523	1.5
91.05482	13.5
93.07059	13.6
95.04960	6.2
95.08617	20.2
97.06532	2.8
97.10158	4.0
103.05470	1.4
105.07042	13.1
107.04950	2.6
107.08588	8.0
109.06519	3.0
109.10136	6.7
111.04438	6.5
111.08064	1.8
115.05466	2.0
117.06998	4.6
119.08591	9.3
121.06492	6.0
121.10133	5.3
123.04473	1.4
123.08083	13.1
123.11708	3.4
123.49395	1.1
125.09661	1.7
125.45721	1.1
128.06233	1.3
129.06976	4.8
131.04953	2.8
131.08572	8.4
132.86319	1.2
133.06532	1.5
133.10115	4.7
135.08051	11.1
135.11728	2.8
137.05980	3.3
137.09621	3.2
139.11237	1.2
141.06975	1.5
143.08527	2.7
145.06453	3.1
145.10179	8.3
147.04440	1.5
147.08052	2.8
147.11703	3.2
149.09662	7.2
149.13255	1.6
151.07550	100.0
155.08554	2.4
157.10117	2.8
158.98454	1.1
159.08060	5.6
159.11691	4.5
161.06006	1.8
161.09660	2.6
162.06718	2.6
163.03943	2.4
163.11189	6.5
165.09103	17.4
165.12761	1.5
167.07002	1.9
167.08447	1.2
171.11690	1.7
172.08957	1.5
173.09631	5.6
173.13274	1.9
175.07610	2.3
175.11151	2.2
176.08347	10.5
177.09111	51.9
177.12589	1.7
187.11156	3.3
189.09245	2.2
189.11200	1.6
189.12762	1.6
190.09866	4.0
191.10680	99.1
193.12280	1.5
197.13084	1.7
199.11191	2.0
201.09093	1.4
203.10538	1.4
205.12257	58.7
219.13739	3.8
228.67685	1.3
291.54163	1.2
295.06107	1.4
299.09137	1.7
337.14847	1.2
369.24155	5.8
387.25049	2.8
405.26129	1.6
415.32089	6.1
423.64133	1.5
429.19000	1.5
443.27631	4.9
461.15768	1.9
461.28021	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.8
55.01868	7.8
55.05266	2.5
55.05513	25.5
55.26236	1.5
57.03446	10.1
60.08529	1.8
63.82442	1.8
64.16989	2.2
65.03950	2.5
67.05510	61.2
69.03445	3.3
69.07070	18.8
69.13465	20.4
69.20197	1.7
69.20566	1.7
71.04981	4.4
76.18348	1.9
79.05498	59.5
79.16182	1.9
81.03428	45.2
81.06593	4.0
81.07060	63.7
83.04983	9.7
83.08617	22.9
85.06540	2.5
91.05488	61.8
93.07046	49.9
95.04971	29.1
95.08617	26.1
97.06533	9.1
97.10175	13.9
99.08125	1.9
103.05499	2.0
105.04514	2.1
105.07037	38.0
107.04955	16.1
107.08607	25.6
107.83182	1.7
109.06534	6.3
109.10162	7.8
111.08095	7.8
115.05450	4.2
117.07026	17.2
119.08592	24.6
121.06516	14.6
121.10170	17.3
123.08078	4.9
123.11694	3.1
125.09591	9.1
128.06288	2.2
129.07014	20.1
131.04961	2.9
131.08569	31.8
133.06528	8.2
133.10152	17.3
135.08083	5.7
135.11711	5.9
137.09613	3.8
141.07025	4.6
142.07741	3.6
143.08569	11.2
145.06482	13.6
145.10124	12.9
147.08028	9.6
147.11693	9.9
149.09627	5.0
149.13278	14.1
153.07027	1.9
154.07729	1.9
154.74278	1.8
155.08557	7.0
157.10136	13.4
159.08054	2.9
159.11740	10.2
161.09628	3.5
163.11177	5.6
169.10150	3.6
171.08076	3.4
171.11687	4.4
173.13290	1.9
175.11191	7.5
177.12741	3.8
181.10187	3.3
183.11746	3.8
185.09737	2.7
185.13275	4.5
189.09308	2.6
189.11247	6.5
193.12262	18.2
195.11812	2.4
195.13829	6.4
197.13380	3.0
199.14857	5.4
201.12790	3.9
203.14270	2.2
205.12231	2.7
217.15901	5.1
227.12766	3.4
249.14934	4.8
257.15433	4.1
267.15875	2.4
273.18509	2.4
287.16504	2.4
308.37268	1.9
321.59900	2.0
323.23627	1.7
333.22318	3.0
341.24713	4.3
343.22906	2.0
351.23206	13.3
369.24231	32.7
373.33594	1.9
387.25208	16.9
405.26279	4.0
407.25571	2.6
417.26315	2.0
425.27066	3.5
443.27905	28.7
461.29028	100.0
462.29892	2.6
480.67841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01867	6.8
55.05517	28.7
57.03429	9.0
65.03941	5.0
67.05509	68.3
69.03429	2.9
69.07071	20.1
71.04993	5.6
79.05496	54.6
81.03423	62.1
81.06593	3.8
81.07059	64.2
83.04974	8.9
83.08619	28.8
85.06543	4.9
91.05486	39.4
93.07049	47.8
95.04971	32.5
95.08606	24.0
97.02898	3.9
97.06531	6.9
97.10157	8.2
103.05462	3.5
105.04490	2.7
105.07033	33.1
107.04951	16.4
107.08603	26.2
109.06528	4.9
109.10157	7.9
111.08102	10.5
115.05473	2.5
117.07027	16.8
119.08590	16.9
121.06516	11.9
121.10136	17.2
123.08075	4.4
125.09638	8.4
128.06241	3.4
129.07039	16.9
131.00908	1.9
131.04863	2.2
131.08583	24.7
133.06511	6.4
133.10121	15.5
135.08067	2.9
135.11702	7.7
137.09622	4.1
141.06998	2.9
142.07747	2.7
143.08578	6.1
145.06464	10.1
145.10147	9.4
147.08084	9.8
147.11717	8.0
149.09627	4.8
149.13271	20.7
155.08499	5.2
157.06404	2.8
157.10144	11.0
159.08089	3.4
159.11736	15.0
161.09592	2.5
163.11232	2.6
169.10126	2.6
171.08009	3.6
171.11755	5.7
175.11209	10.2
177.12775	6.1
183.11848	2.2
185.13197	5.1
187.14914	2.5
189.11189	4.8
193.12257	28.7
195.13872	7.5
197.13313	4.4
199.11301	2.5
199.14850	4.0
205.12122	2.5
217.15875	7.7
225.12724	2.4
227.12677	2.2
249.14830	3.5
267.15836	2.1
268.26996	2.2
275.16324	2.1
323.23547	2.7
341.24942	2.6
343.22702	3.7
351.23264	10.5
369.24271	21.8
387.25317	13.9
417.26370	5.9
425.27185	2.7
443.27975	20.9
461.28986	100.0
462.28955	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01870	5.2
55.05514	25.5
57.03430	6.9
57.07075	2.9
64.80726	1.7
65.03943	3.4
67.05508	57.9
69.03426	2.6
69.07064	19.8
69.36872	14.6
71.04991	5.6
77.66745	1.7
79.05493	52.9
81.03425	57.8
81.07061	74.3
83.04993	13.1
83.08621	21.1
85.06540	2.4
91.05486	50.0
93.06490	3.0
93.07051	48.4
95.04975	30.8
95.08614	25.4
97.06519	7.8
97.10164	7.8
99.08103	2.4
105.07040	32.7
107.04962	16.3
107.08599	22.5
108.08959	2.1
109.06496	6.5
109.10149	7.8
111.08077	10.0
115.05450	3.0
117.07032	14.0
119.04949	2.9
119.08598	18.4
121.06519	10.6
121.10152	16.2
123.08073	3.7
125.09631	6.0
128.06204	1.9
129.06990	15.7
131.04974	2.9
131.08568	24.6
133.06511	7.5
133.10175	15.6
135.08069	4.3
135.11693	6.7
139.11168	2.7
141.06984	4.8
142.07788	4.2
143.08562	12.2
145.06525	9.6
145.10149	8.6
147.08032	7.6
147.10655	1.7
147.11629	8.4
149.09644	6.5
149.13251	20.0
153.09146	1.9
155.08522	4.2
157.06483	2.1
157.10146	12.7
159.08073	4.5
159.11707	11.0
161.09622	1.9
167.08559	1.9
169.10089	3.4
171.08035	2.1
171.11743	1.6
173.09633	2.5
173.13358	2.4
175.11215	9.3
177.12776	7.3
183.11761	2.3
185.09583	2.5
189.11221	5.3
189.12794	1.8
193.12248	26.1
195.11862	2.5
195.13823	5.8
199.14899	3.9
201.12721	2.0
213.62440	2.0
217.15874	4.8
227.12692	3.2
249.14893	5.4
251.16539	2.0
257.15533	2.1
325.21475	2.2
341.24661	3.7
343.22595	3.0
351.23138	8.0
369.24280	18.6
387.25119	11.9
405.26099	3.6
407.26001	1.7
417.26282	3.5
425.26617	2.3
435.06808	1.7
443.27939	21.1
461.28979	100.0
462.29532	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.1
53.03954	11.7
53.17941	1.6
55.01859	7.5
55.05266	2.4
55.05518	29.8
57.03423	9.3
57.07066	1.7
65.03930	4.5
67.05508	76.3
69.03418	4.0
69.07066	25.6
70.02900	2.6
70.03297	4.4
71.04980	5.9
73.06546	2.1
77.03928	1.8
79.05495	67.8
81.03419	38.9
81.07059	77.6
83.04994	13.8
83.08617	22.2
85.06538	3.3
91.05482	70.0
91.66899	1.7
93.07046	64.6
94.46996	1.6
95.04972	25.8
95.08614	31.8
97.02870	2.0
97.06535	12.1
97.10159	11.0
99.08080	3.8
105.04530	3.5
105.07033	46.1
107.04955	15.7
107.08595	31.4
109.06520	6.7
109.10152	7.3
111.08063	7.9
113.05984	2.2
115.05476	2.5
116.06226	1.6
117.07021	19.5
119.04912	2.3
119.08591	24.6
121.06516	8.6
121.10127	18.3
123.08060	3.5
125.04275	1.8
125.09596	9.1
126.43778	1.9
128.06195	4.3
129.07021	18.7
131.08578	29.0
133.06502	8.5
133.10135	24.2
135.08035	7.3
135.11710	7.7
137.09639	2.0
141.06995	5.0
142.07745	2.2
143.08565	10.2
145.06493	10.2
145.10130	12.1
147.08047	8.0
147.11699	10.8
149.09608	5.1
149.13271	22.7
153.06960	2.0
155.08549	9.4
157.06454	3.2
157.10133	16.1
159.08028	4.8
159.11662	12.3
161.09615	2.6
163.11185	4.1
167.08513	3.1
167.14372	1.7
169.10117	3.6
171.08076	2.0
171.11731	5.1
173.09621	3.3
175.11163	8.5
177.12772	6.9
181.10139	4.7
183.11752	2.8
185.13318	3.2
187.14789	2.1
189.09125	2.0
189.11227	5.3
189.16333	2.1
193.12221	19.3
195.13840	7.2
197.13229	3.5
199.14868	4.7
201.12807	3.9
211.13371	1.8
213.12804	2.4
217.15855	5.1
225.12798	2.2
227.12747	1.9
231.13797	3.4
243.13995	2.1
249.14789	2.6
251.16527	2.0
257.15396	3.2
267.15912	2.1
269.17767	2.5
271.17133	2.2
273.18585	2.2
323.23715	3.3
341.24896	5.2
343.22656	2.1
351.23135	13.2
355.23898	1.6
369.24265	19.2
387.25375	11.0
405.26352	2.6
417.26218	2.9
443.27963	28.2
461.28967	100.0
462.29456	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
53.74922	1.0
55.01873	9.0
55.05499	1.9
57.03439	5.9
61.02929	5.9
65.03915	1.2
68.99781	3.3
69.03100	2.1
69.03434	28.0
69.20332	11.7
71.04974	4.4
73.02920	7.8
73.25867	1.1
79.05489	2.3
80.04993	1.3
81.03416	32.2
82.47238	1.0
83.01340	1.3
85.02906	78.7
87.00313	2.3
87.00829	34.6
89.64823	1.1
91.03931	2.4
91.05491	2.6
97.02303	2.0
97.02897	33.6
98.20798	2.6
99.04463	12.9
101.47621	1.3
103.05462	7.0
105.01865	29.4
105.07032	3.9
107.04948	9.2
108.04467	10.2
109.02880	31.4
117.01840	4.8
121.06480	1.4
126.05505	3.9
127.03918	54.8
129.01826	5.2
131.04919	2.2
135.08061	6.5
139.03867	4.6
145.04971	29.0
147.02869	2.9
154.06253	31.3
159.02890	16.0
163.07542	30.8
167.07002	1.9
180.07773	1.5
189.03841	1.5
193.08676	1.4
195.10176	100.0
200.12770	1.3
205.08455	1.1
213.03943	2.9
230.06558	4.1
231.04996	12.6
248.07524	5.5
266.08636	1.7
379.89465	1.2
460.27423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01873	10.6
57.03443	4.2
61.02935	5.4
68.99803	2.6
69.03432	25.0
70.80833	2.9
71.05018	4.4
73.02905	8.4
79.05517	1.9
81.03423	31.6
81.03873	2.6
85.02906	74.9
87.00835	29.3
91.05518	1.8
95.05007	1.6
97.02903	27.0
99.04449	11.7
105.01872	23.2
105.07068	4.3
106.56770	1.5
107.04963	35.0
108.04487	8.6
109.02888	28.4
115.04031	1.5
115.05489	1.6
117.01880	4.0
121.06522	1.6
125.27915	1.6
126.05545	4.5
127.03919	45.6
127.76977	1.4
129.01897	2.8
131.08565	1.5
135.08035	11.3
145.04965	24.7
147.02937	2.0
159.02910	18.0
163.03896	9.0
163.07550	38.9
167.07074	14.6
180.07852	2.8
181.05183	1.7
195.10176	100.0
205.08699	1.7
207.10216	3.5
213.04158	1.9
231.05029	8.5
237.11227	1.6
248.07797	5.3
259.28641	1.4
321.31543	1.5
460.28287	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	460.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37862	2.2
57.03419	2.6
58.99599	5.6
69.03420	2.8
69.32377	4.1
69.32779	15.1
85.01151	2.8
85.02899	7.0
86.00652	20.7
86.99047	2.3
95.04985	2.8
96.04498	4.9
97.02905	5.9
98.20805	3.8
99.04461	3.0
99.99108	1.9
102.03786	2.7
103.05484	3.0
107.05007	2.0
123.04453	3.4
124.03973	100.0
131.04942	10.5
132.01160	8.7
144.08142	4.8
145.05070	2.2
149.05988	12.5
151.03922	3.6
182.02751	23.0
184.04248	4.7
210.05782	4.3
224.07379	2.7
228.03308	39.7
230.04732	2.1
234.05841	3.6
248.95486	2.2
252.06950	36.7
280.06577	3.1
298.07474	73.3
298.20129	2.6
460.25415	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	460.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10874	1.0
53.03953	2.4
55.01679	0.9
55.01885	8.7
56.40401	1.0
57.03444	18.4
57.57133	1.2
58.99596	4.2
59.05005	2.7
60.04504	1.1
61.02932	13.7
69.03439	37.3
70.06601	1.7
70.92147	1.2
71.01363	6.0
71.04984	3.0
73.02928	75.3
78.03466	1.2
79.05472	1.9
80.05013	1.2
81.03423	7.1
85.01136	3.2
85.02918	73.8
86.00663	23.6
86.99055	3.0
87.04479	4.2
87.68360	1.1
88.02216	1.3
89.03934	1.1
91.03969	3.0
91.05510	2.4
91.78040	1.2
93.07057	1.4
95.04982	5.8
96.04505	4.4
97.02903	68.1
99.04459	3.9
100.02233	1.1
100.69557	1.0
102.03790	4.0
103.03958	3.2
103.05485	11.9
105.00085	1.1
106.06568	2.5
107.04967	2.0
109.02909	6.9
115.03945	34.0
121.06564	1.7
122.02454	2.4
123.04423	1.8
124.03970	100.0
126.05529	1.6
127.03925	23.6
131.04944	68.7
132.01161	8.6
133.04982	42.4
133.05989	1.7
135.04388	2.5
140.03432	3.1
144.06595	3.3
144.08109	8.3
145.04980	31.2
145.08415	6.5
148.07527	1.1
149.06003	64.8
150.07579	1.7
151.03949	6.2
153.05536	1.6
154.12325	1.4
162.07593	1.2
163.03926	4.7
163.06033	8.9
180.08736	1.2
182.02745	21.3
184.04323	3.5
193.05110	1.5
199.06052	1.9
210.05753	1.6
223.06093	5.1
224.07440	4.6
228.03281	37.8
228.05478	2.3
234.05800	3.8
241.07072	7.0
245.08110	4.0
252.04320	2.2
252.06944	36.5
259.08075	4.5
263.09186	1.9
280.06335	5.4
298.07471	79.3
298.19965	2.1
299.07874	2.2
384.65076	1.1
460.19302	1.8
460.25217	19.1
486.81561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3473
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
54.07778	6.8
55.01858	7.5
55.05519	35.6
56.60204	7.2
67.05511	62.0
69.07079	36.7
73.06564	12.4
79.05508	46.4
81.03413	28.5
81.06647	9.3
81.07065	84.4
83.04995	7.0
83.08611	19.9
91.05482	35.0
93.07052	67.2
95.04976	12.8
95.08624	90.1
97.06540	14.4
97.10160	12.3
98.04163	8.0
99.08072	8.7
103.01129	6.4
105.07047	56.9
107.04956	22.0
107.08617	100.0
109.06506	10.5
109.10172	80.2
113.06017	10.3
117.07029	15.0
119.08588	79.8
121.06500	7.4
121.10173	83.9
123.08068	11.4
123.11719	14.7
125.09608	9.6
128.06232	9.3
129.07033	16.3
131.08578	40.7
133.06461	7.0
133.10153	51.3
134.37373	6.4
135.08026	18.8
135.11703	42.4
137.09622	7.5
137.13261	8.0
142.07814	8.2
143.08554	23.0
145.06511	12.9
145.10156	49.6
147.10706	8.4
147.11702	46.5
149.09561	8.3
149.13211	21.1
157.10155	37.5
159.11714	43.2
161.13283	40.6
163.11198	21.6
163.14876	31.9
167.08643	9.7
171.11642	14.6
173.13264	30.1
175.14841	36.9
177.12802	14.8
177.16367	17.8
181.10114	7.6
185.13295	16.7
187.14861	50.2
189.16484	14.3
195.13873	11.2
197.13309	16.7
199.14885	12.3
201.16434	9.4
205.15907	75.4
209.15346	11.2
213.16388	16.6
215.14127	8.7
217.15927	15.1
223.16939	38.8
235.16920	13.3
259.20615	10.6
289.21579	21.8
339.23203	8.0
349.21506	10.0
367.22638	11.8
379.30093	7.9
385.23483	7.8
405.31674	12.5
423.32721	47.4
441.33597	28.1
459.27948	47.6
459.34781	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.311
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.03939	7.5
53.29667	5.4
55.05518	30.4
57.03429	5.6
57.07074	7.2
58.01768	5.3
67.05512	44.4
69.07068	27.4
69.21954	44.0
71.05000	5.6
79.05492	46.9
81.03425	26.4
81.07062	67.7
83.04992	8.0
83.08626	21.8
91.05484	37.7
93.07043	51.3
95.04980	5.2
95.08605	59.5
97.06514	6.9
97.10142	12.1
98.20708	11.6
99.08117	6.5
105.07035	62.7
107.04945	11.8
107.08605	64.9
109.06519	13.3
109.10159	55.3
111.08111	7.7
117.07027	24.6
119.08588	70.2
121.06534	13.8
121.10142	64.1
123.08128	10.0
123.11710	8.6
125.09614	12.0
128.06219	8.6
129.06992	12.7
131.08563	38.7
133.10155	43.0
135.08055	9.6
135.11649	27.3
137.06021	7.2
137.09590	7.6
143.08571	21.1
145.06445	8.9
145.10130	54.0
147.11717	41.3
149.09683	10.7
149.13235	19.9
155.08548	6.5
157.10132	24.7
159.08182	6.4
159.11671	30.1
161.09596	12.7
161.13306	20.0
163.11153	8.5
163.14832	32.8
165.09137	9.1
169.10144	9.7
171.11786	15.1
173.09531	7.4
173.13252	26.8
175.11197	6.6
175.14827	24.3
177.16426	15.0
183.11696	7.7
185.13362	13.4
187.14835	100.0
189.16388	40.3
191.14352	12.2
193.12222	12.3
195.13802	5.8
197.13295	17.6
199.14897	11.2
201.12637	6.0
201.16356	38.5
203.14319	10.1
203.17940	11.6
205.15924	22.3
207.13820	10.4
211.14804	6.1
213.16382	12.4
215.14545	6.2
219.13754	6.7
221.15312	13.5
225.16319	13.0
227.18137	7.3
229.19490	8.6
233.15623	6.4
241.19475	8.2
253.19460	7.4
273.15076	8.4
285.18634	7.0
287.20151	8.2
349.21466	6.2
367.22641	15.7
377.28418	16.9
385.23734	14.6
395.29633	38.7
397.30972	19.3
423.32980	11.6
429.33633	7.3
441.29468	8.8
441.34457	10.6
459.27356	66.8
459.34982	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01871	8.9
55.05516	29.4
55.75227	1.3
57.03445	6.2
65.03934	2.1
67.05508	33.9
69.03420	5.0
69.07080	8.3
70.01652	6.9
71.04987	2.5
79.05500	39.6
81.03423	90.7
81.07057	26.2
83.04983	6.8
83.08161	1.6
83.08621	23.7
85.06560	2.7
91.05489	35.7
93.07053	21.7
95.04967	30.1
95.08635	13.5
97.02888	3.2
97.06514	3.9
97.10180	11.3
103.05464	2.2
104.81794	1.2
105.07041	27.2
107.04958	19.1
107.08617	14.1
109.06542	6.0
109.10181	7.6
111.04437	3.2
111.08089	10.9
113.05927	1.2
115.05476	2.4
117.07035	9.9
119.04970	2.9
119.08588	18.3
121.06520	13.4
121.10150	8.1
123.04463	2.2
123.08092	4.5
125.09638	11.6
128.06239	2.1
129.07027	19.3
131.04941	6.5
131.08580	15.6
133.06526	8.5
133.10153	8.8
135.08051	5.1
137.09656	2.6
141.07021	4.1
142.07791	3.2
143.08578	6.5
143.64023	1.5
144.05737	1.8
145.06505	23.2
145.10127	6.2
147.04456	1.4
147.08083	9.5
147.11667	9.7
149.09671	6.5
153.07022	1.6
153.09108	3.5
155.08604	6.1
157.06464	4.3
157.10149	15.8
159.08073	5.2
159.11673	2.3
161.06003	4.5
161.09668	3.2
165.12790	2.4
167.08578	2.5
169.10150	4.3
171.08081	4.7
171.10257	2.2
171.11713	2.8
173.09654	2.9
175.07745	1.4
175.11226	10.8
177.12814	1.9
179.08585	1.5
181.06393	1.2
181.10184	3.1
183.08025	3.2
183.11691	1.8
185.09735	2.2
185.13226	2.7
187.11131	2.5
189.09241	1.6
189.11238	5.6
189.12801	2.5
193.10429	2.7
193.12253	49.2
195.08118	1.9
195.11731	4.2
197.09628	1.6
197.13338	3.5
199.11229	1.7
205.10233	1.5
205.12088	1.6
209.09648	1.6
213.12823	3.9
215.14384	3.0
221.13258	1.8
223.11179	2.0
223.13286	2.0
225.12799	1.7
227.14388	1.8
231.13730	3.1
233.15416	3.7
237.12791	3.8
249.14873	4.4
255.13838	6.4
271.16879	1.7
273.14877	18.0
283.17010	2.0
287.16400	2.6
311.16486	2.0
330.01987	1.5
339.23090	6.1
349.21713	11.8
357.24292	5.5
367.22693	40.8
385.23770	33.9
401.17783	1.4
403.24655	10.0
405.24457	2.6
423.25439	2.7
423.30872	1.5
433.69418	1.3
441.26404	6.5
459.27463	100.0
460.28043	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	459.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.01880	6.4
55.05515	24.2
57.03430	5.7
57.07077	1.5
65.03930	2.3
66.85077	1.1
67.05511	33.5
69.03430	4.6
69.07069	7.6
70.88010	1.6
70.88345	2.3
71.04995	3.1
75.42401	1.1
79.05504	34.4
81.03426	82.4
81.06602	1.9
81.07065	29.1
83.04984	7.3
83.08627	20.6
85.02866	1.2
85.06537	2.0
91.05495	36.2
93.07056	20.4
95.04974	27.9
95.08614	14.4
97.02901	2.6
97.06545	5.2
97.10165	11.5
99.08126	1.3
103.05448	2.2
105.07038	29.4
107.04967	17.9
107.08587	16.1
109.06510	6.3
109.10159	7.8
111.04425	2.7
111.08088	9.6
115.05463	3.6
117.07017	10.8
119.04964	3.9
119.08596	17.5
121.06527	12.1
121.10178	8.4
123.04457	3.2
123.08069	4.4
125.05998	1.4
125.09652	9.5
128.06235	3.1
129.07011	19.2
131.04918	5.2
131.08577	18.8
133.06483	7.6
133.10138	10.2
134.20409	1.3
135.08052	5.0
135.11784	1.9
137.09622	3.9
141.07021	4.9
142.07797	3.9
143.08574	6.3
145.06497	23.5
145.10121	6.9
147.08096	6.8
147.11694	9.4
149.09601	8.0
151.07639	1.9
151.11205	1.5
153.09061	2.1
155.08601	5.9
157.06491	3.6
157.10124	12.6
159.08087	7.3
159.11722	3.1
161.05992	4.0
161.09637	2.5
163.11191	2.7
167.08519	1.7
169.06570	2.4
169.10170	3.2
171.08040	3.4
171.11736	4.3
173.09695	3.2
173.13263	1.4
175.11223	12.6
181.10068	2.2
183.08150	1.5
183.11783	3.3
185.09550	3.1
185.13332	3.5
186.84573	1.4
187.07463	1.4
187.11230	2.6
189.11250	4.8
189.12747	1.9
193.10480	2.7
193.12262	48.1
195.11697	5.2
197.09621	2.3
197.13255	3.5
199.11288	2.1
205.12234	2.2
209.09659	1.7
211.11449	1.7
213.12732	3.0
215.14357	3.7
221.13223	1.8
227.14301	4.1
231.13776	1.8
233.15456	4.0
237.12721	2.7
239.14339	2.3
245.15311	1.7
247.13457	2.1
249.14915	4.9
255.13875	4.6
261.14648	1.3
271.16971	1.4
273.14853	13.7
281.15372	1.6
283.17200	1.7
339.23151	5.1
349.21664	14.5
357.24271	5.9
367.22690	36.0
385.18896	1.8
385.23752	32.9
385.28482	2.1
403.24973	6.5
405.24860	1.7
441.26270	6.3
459.27457	100.0
460.27753	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	459.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03149	0.7
53.03949	6.6
55.01633	0.8
55.01875	8.5
55.05516	29.2
55.06538	0.7
57.03438	5.4
59.04984	1.1
65.03934	3.9
67.05508	36.3
69.03431	4.3
69.07075	11.8
71.04992	3.2
74.01860	0.7
77.03926	1.1
78.54124	0.7
79.05498	45.2
81.03423	81.9
81.07059	36.0
83.04994	10.8
83.08624	20.0
85.02892	1.3
85.06537	2.1
91.05487	50.2
93.07046	25.7
93.07643	1.5
95.04974	31.6
95.08615	15.8
97.02880	2.2
97.06534	5.2
97.10178	14.8
99.08100	1.5
103.05479	1.8
105.04490	1.0
105.07037	35.2
107.04961	20.4
107.08603	16.7
109.02886	1.5
109.06524	6.2
109.10172	7.7
111.04430	2.3
111.08083	7.0
113.06014	1.6
115.05481	4.7
116.06212	1.7
117.07017	11.5
119.04939	2.2
119.08582	22.6
121.02850	0.9
121.06514	13.1
121.10146	7.7
123.04436	2.0
123.08055	5.3
123.11733	1.6
125.05997	1.1
125.09640	9.7
128.06223	3.0
129.07011	20.5
131.04929	5.0
131.08580	17.3
133.06505	8.1
133.10143	13.6
135.04410	1.7
135.08075	5.9
135.11711	1.9
137.05991	1.2
137.09650	3.6
137.13229	1.0
141.06972	4.1
142.07767	4.4
143.08556	6.6
143.10695	0.8
144.05702	1.3
145.06494	20.8
145.10133	7.9
146.07295	0.8
147.04434	2.0
147.08051	8.8
147.11690	13.0
149.05972	0.7
149.09621	5.8
151.07559	2.9
151.11179	1.5
153.07031	1.1
153.09058	3.9
154.07823	1.1
155.08563	5.0
157.06494	4.3
157.10132	15.9
159.08086	5.6
159.11693	3.4
161.05988	3.0
161.09576	4.0
161.13251	1.6
163.11206	3.0
165.09172	0.8
165.12735	2.9
167.08522	1.6
169.06454	1.7
169.10130	4.0
171.08064	5.2
171.10185	1.9
171.11703	4.0
173.09660	2.2
173.13246	1.7
175.07562	1.8
175.11188	16.2
175.12567	1.3
177.08928	0.7
177.12738	1.3
178.07919	0.7
181.10132	2.4
182.11061	0.8
183.08002	1.4
183.11655	1.9
184.08891	0.9
185.09622	2.6
185.13278	2.4
187.11250	2.5
187.14828	2.3
189.11246	5.1
189.12804	2.2
191.14337	0.9
193.12251	44.6
195.11732	3.4
197.09578	1.8
197.13271	3.1
199.11235	3.9
203.14323	1.7
205.12262	2.1
205.15916	1.2
207.11803	0.9
209.09717	1.5
209.13335	1.6
211.11395	1.1
211.13194	1.5
211.14986	1.5
213.12743	2.6
215.14319	3.8
217.12332	1.5
219.11809	0.9
223.11334	1.4
223.13136	1.3
223.14987	0.9
225.12772	2.3
227.14301	2.9
231.13834	1.8
233.13365	1.2
233.15358	4.2
237.12703	1.8
239.14375	1.0
241.12225	1.1
243.13947	1.0
245.15417	1.1
249.14799	5.3
251.14441	1.1
255.13754	5.0
257.15335	1.3
259.13315	1.3
259.17169	0.8
265.15762	1.1
267.15866	1.1
269.15314	2.0
271.17081	2.3
273.14850	12.6
275.16519	1.0
281.15341	1.8
283.16995	1.1
287.16443	2.6
299.16351	1.1
321.22165	1.6
331.20740	0.9
339.23157	6.3
349.21552	13.3
357.24170	5.2
360.24304	0.9
367.22702	32.2
368.22903	0.9
385.23743	35.5
386.24011	1.3
403.24884	6.9
405.24478	1.7
423.25165	1.6
432.11520	0.9
441.26346	5.5
441.32010	0.9
459.27454	100.0
460.27805	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	459.2491
Annotation	(+)-Sarodesmine
Peak:m/z	Relative Intensity
53.03935	0.7
55.01886	0.7
56.05036	0.5
57.03426	1.4
61.02927	1.8
67.05505	0.4
68.30340	0.3
69.03094	0.4
69.03436	6.6
70.94479	0.8
73.02905	1.9
79.05492	0.7
79.81870	0.3
81.03414	2.0
81.07073	0.7
84.08172	0.5
85.02909	7.9
87.04479	1.7
91.05485	1.3
93.07069	1.7
94.06544	0.4
95.08620	0.6
96.08134	0.4
97.02914	4.1
99.04438	0.8
103.05512	0.5
107.08572	0.7
108.08134	1.9
109.02872	1.4
109.06549	0.3
110.09698	1.4
111.08097	2.2
115.03951	0.4
115.05454	0.5
115.26379	0.3
117.07013	3.4
119.08587	1.6
120.08131	0.4
122.09672	2.9
123.08024	0.4
124.11178	0.4
127.03941	2.0
128.06212	0.4
130.06523	2.3
131.04955	0.6
131.07314	0.5
132.08096	0.5
136.11189	1.0
138.12784	1.4
143.07321	2.1
144.08093	64.5
145.05022	0.4
145.08421	0.8
146.09633	0.3
148.07610	1.0
148.11192	0.4
150.12813	1.0
152.10825	0.5
154.12283	10.7
155.06044	0.6
156.08130	0.7
158.09668	1.7
159.09184	0.9
166.12297	3.2
168.08185	1.0
169.07596	0.7
170.09639	3.2
172.11272	0.6
180.08144	0.8
183.09247	0.5
194.09666	1.0
196.11232	0.7
206.09680	0.7
207.10498	0.9
208.11218	1.0
218.09694	0.6
220.11244	1.5
221.11902	0.6
222.12843	0.7
224.14409	1.0
232.11160	0.5
234.12743	0.6
235.13519	0.7
236.14410	1.5
248.14423	0.7
250.15900	0.9
254.15504	1.0
262.15955	0.7
268.17072	1.6
279.18692	1.0
280.16980	4.5
297.19641	9.2
314.81262	0.4
316.17505	2.5
328.17532	0.6
378.98758	0.3
459.24948	100.0
460.25366	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31377	0.6
69.03424	0.9
69.07061	0.9
71.48605	0.7
71.48979	0.9
72.08102	0.6
73.70472	0.6
77.17467	0.5
77.93863	0.7
81.03434	1.3
81.07063	1.1
83.04988	1.1
85.02913	1.1
86.09718	1.7
95.04986	0.7
97.02928	1.0
107.08611	1.0
107.94677	0.6
109.02902	0.8
115.56461	0.6
127.03907	0.9
133.11313	0.6
135.04678	2.5
137.05864	0.7
143.04930	0.7
145.02852	0.7
147.04416	1.5
148.72473	0.6
161.06087	0.7
163.03911	4.8
165.07014	2.4
167.08522	0.7
171.04916	0.7
173.05894	0.8
185.93495	0.8
193.06528	1.6
195.08110	1.1
211.07594	0.6
211.13037	5.8
213.09052	0.6
221.05183	0.7
226.68617	0.6
227.05270	1.4
234.98999	1.1
239.07037	1.8
252.06946	0.6
253.12733	1.0
256.90018	0.7
280.67746	0.6
285.07608	8.7
313.00235	0.8
342.48212	0.6
355.16891	0.7
373.18271	8.0
397.18365	1.5
413.12610	3.3
415.19385	27.7
441.17245	3.1
459.12836	9.7
459.18390	100.0
460.18677	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
69.03413	2.4
70.15591	3.9
70.15988	4.0
79.05495	5.0
81.07062	2.9
82.99850	3.0
83.04986	5.6
85.02922	2.3
87.66088	1.5
97.02892	3.3
98.97586	5.9
101.00892	24.6
105.07044	3.8
107.04960	4.3
109.06534	12.7
113.00889	2.5
117.03422	2.5
119.01933	30.0
123.02819	1.7
127.02447	2.0
129.03999	2.1
131.01875	8.0
133.06485	4.0
135.04413	3.8
135.08084	4.6
137.05981	3.7
138.01753	2.0
143.01907	48.6
145.03505	3.8
151.07533	3.6
153.09175	2.0
155.01913	5.5
157.03487	1.8
158.99678	2.7
159.05106	1.6
161.02972	84.5
162.03140	2.6
163.03885	16.9
164.04245	3.0
167.05516	2.4
169.03548	2.1
170.99683	1.9
171.05032	3.6
173.02977	5.4
173.06564	2.7
175.06161	3.0
177.00781	2.5
179.07034	34.5
181.03510	2.1
183.05014	3.5
185.02917	3.7
185.06602	5.3
191.05588	2.6
193.07164	4.3
195.04990	2.5
201.00909	2.4
203.04025	44.8
204.03920	2.1
207.05135	2.4
209.06621	23.2
211.08087	8.2
213.00984	2.1
217.07074	2.7
219.05067	3.7
221.04910	10.3
221.06754	4.7
223.08237	5.6
225.06076	2.1
229.09271	2.6
233.03059	1.6
235.08186	7.0
237.06100	9.1
239.07529	2.8
244.04375	4.0
245.05119	3.9
247.08173	2.8
251.07605	3.6
253.09315	6.1
255.07195	3.0
261.06125	7.1
263.05917	10.6
265.09207	3.4
279.03949	5.4
279.07147	18.4
285.08191	2.6
295.10464	2.1
297.08209	100.0
311.09735	22.1
315.09329	15.0
333.08377	1.9
337.11261	7.1
339.09262	26.3
348.06766	2.1
355.12500	4.8
357.10339	7.0
363.09167	6.6
381.10287	15.5
399.11414	14.0
417.12256	1.7
459.12866	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	458.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22238	0.7
55.40916	0.7
55.98951	0.8
56.03742	0.8
56.96561	1.8
67.05500	2.8
71.48803	1.2
79.05489	3.1
83.04977	0.9
89.03918	8.8
91.05466	1.1
93.07021	1.4
95.04955	2.4
97.02893	0.9
101.00890	1.2
103.05466	6.7
107.04947	4.1
117.03373	8.8
119.01932	1.6
120.08108	100.0
121.08411	1.8
121.90736	0.8
122.94612	0.7
131.04927	3.0
131.07053	4.2
135.04414	13.8
135.87967	0.7
136.04736	1.4
137.06001	0.8
143.00169	1.5
143.01859	0.8
145.02785	8.5
145.05009	0.8
146.03194	1.2
147.04405	1.4
148.95815	0.8
149.05962	1.6
161.02960	3.2
163.03906	75.6
164.04233	7.9
166.08649	46.3
167.08984	1.4
169.03459	1.1
187.04582	0.8
203.03984	1.7
209.06609	0.8
212.16455	0.8
221.03035	4.0
247.50974	0.7
255.01851	1.9
257.05200	1.2
271.04538	1.8
273.03000	0.9
289.05676	0.9
297.08276	1.7
307.06601	1.3
325.07568	1.1
335.06448	1.0
362.33298	0.8
377.07394	1.6
395.08081	4.7
397.08206	0.8
411.06223	1.1
413.09134	1.4
440.10974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.2
57.07065	4.2
65.03920	2.0
67.05504	15.6
69.07070	14.6
71.34538	3.1
79.05489	12.8
81.07054	32.4
81.96188	1.8
83.04958	3.0
83.08617	8.1
84.09657	1.8
88.02206	4.8
91.05475	8.7
93.07051	26.5
95.04951	3.8
95.08607	57.0
97.06515	5.2
97.10146	4.0
99.08060	1.8
105.07030	29.5
107.08596	45.7
109.06512	2.0
109.10159	37.3
113.05976	3.7
117.07047	2.8
119.08582	40.4
121.06532	2.2
121.10152	27.9
123.08070	2.3
123.11731	12.4
125.09662	3.1
131.08598	9.6
133.06485	8.3
133.09143	2.1
133.10139	32.6
135.08035	5.1
135.11690	26.3
137.13206	8.9
143.08563	2.6
145.10121	14.8
147.08020	6.0
147.11673	25.4
149.13251	11.6
153.09105	4.4
157.10136	4.1
159.08095	3.1
159.11742	17.3
161.09625	4.6
161.13235	15.0
163.14807	20.0
167.10663	2.6
169.10162	2.6
171.11691	6.7
173.13266	13.1
175.11169	4.5
175.14856	15.1
177.12668	2.0
177.16362	10.2
179.14374	2.1
179.17856	2.5
183.11763	3.9
185.13234	2.6
187.14787	9.7
189.12737	7.7
189.16391	51.6
190.16742	2.4
191.14325	2.8
191.17949	39.1
197.13110	2.6
199.11191	3.8
199.14847	3.4
201.12764	7.6
201.16342	14.2
203.14325	15.3
203.17964	53.0
205.15877	10.7
205.19502	8.5
207.17461	5.9
213.12732	2.5
213.16295	2.6
215.14197	2.2
215.17928	8.7
217.12222	5.6
217.15851	3.1
217.19518	7.4
221.15204	2.1
221.18973	3.4
229.15828	2.1
229.19458	3.1
231.21056	7.3
235.16930	8.6
247.16992	3.2
249.18439	14.7
261.18445	4.4
311.95993	2.0
364.29706	1.9
393.35156	5.2
409.30737	2.5
411.31415	2.3
411.36270	26.3
421.30698	4.6
439.36221	23.0
457.32416	100.0
458.33411	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05511	2.0
57.07071	3.0
58.98973	0.5
64.03146	0.5
65.03928	0.8
67.05505	7.6
69.07069	31.0
69.30450	3.0
69.30880	1.4
70.06571	0.5
71.08624	1.3
79.05496	10.7
79.05923	0.9
81.07059	100.0
82.07372	0.7
83.04999	0.5
83.08624	0.9
88.07637	1.7
91.05491	1.5
93.07056	3.7
95.04984	0.8
95.08611	24.6
97.10171	0.8
98.21494	0.9
102.09166	0.7
105.07059	1.4
107.08579	2.6
109.06522	3.7
109.10169	2.5
111.08114	0.6
119.08609	1.8
121.10175	1.5
123.08072	13.3
123.11726	0.9
131.08606	1.0
133.10165	1.5
135.08044	4.7
135.11699	1.4
137.09578	0.7
137.13266	12.6
143.08667	0.6
145.10150	0.9
147.11713	1.3
149.09676	1.0
159.11700	1.1
165.09140	0.6
173.13281	0.6
177.12767	1.9
179.14319	21.6
191.14388	0.6
200.20081	2.3
201.20430	1.1
205.15897	1.8
261.22000	0.6
262.09720	0.5
263.16504	0.8
265.18002	13.2
283.26398	1.4
284.26563	2.2
291.19464	0.9
319.22720	5.7
320.23346	2.1
321.24249	15.9
333.23996	0.7
439.35559	0.8
457.36301	3.7
457.44476	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	457.3676
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05492	4.6
67.05495	12.4
69.07064	9.2
69.21551	32.7
79.05460	6.0
81.07058	29.3
83.08607	9.1
89.14161	3.0
90.61724	3.0
91.05482	5.8
93.07026	22.1
94.17184	2.7
95.08611	55.2
96.32338	2.8
99.33155	3.2
105.07027	10.7
107.08611	46.3
109.10166	29.8
111.08019	3.4
119.08595	26.5
121.10143	26.2
123.11696	8.6
130.55089	3.1
133.10170	16.0
135.11723	18.5
145.10120	6.2
147.11688	19.0
149.13258	19.0
158.72462	2.8
159.11623	6.2
161.13255	14.0
163.14841	34.7
173.13365	4.3
175.14853	10.6
177.16388	11.4
187.14865	7.2
189.16371	19.5
191.17986	15.0
203.18008	23.8
205.19577	9.1
207.17342	5.2
212.13501	3.2
217.19456	5.5
231.21143	11.8
233.19046	3.9
297.25830	13.1
341.28336	4.0
393.35083	9.2
411.36237	100.0
439.35837	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
50.03963	2.4
53.50534	2.0
55.01871	2.9
55.05510	11.2
57.07063	6.6
67.05503	17.8
68.88951	2.2
69.07073	19.4
74.57986	2.4
75.86880	2.3
79.05482	13.6
81.07063	38.6
83.08612	12.0
91.05483	14.5
93.07051	32.2
95.08611	82.4
97.06511	4.9
97.10172	5.8
98.85355	2.1
105.07027	25.4
107.08604	61.4
109.10162	49.6
109.90585	2.9
114.30725	2.5
119.08585	58.7
119.09369	4.7
121.09335	4.5
121.10146	56.0
123.11691	20.3
125.09654	3.4
131.08569	4.5
133.10129	44.6
135.11707	43.6
137.02298	2.3
137.13248	7.3
139.07387	2.3
145.10118	11.1
147.11688	35.0
149.13261	23.1
153.09114	7.6
159.11653	7.4
161.13237	24.9
163.14836	30.5
167.10713	3.1
173.13235	7.5
175.14832	18.5
177.16417	15.7
179.14305	3.9
184.75542	2.2
187.14801	14.9
189.16380	100.0
191.17947	74.5
193.15985	3.1
197.13043	2.3
201.16295	13.8
203.17958	94.4
204.18326	3.3
205.19510	10.1
207.17412	7.3
215.17960	9.3
217.19456	12.4
221.19069	6.8
229.19537	5.6
231.21034	14.3
235.16910	19.5
245.22633	4.0
247.17003	6.4
249.18526	29.3
251.83087	2.7
257.22726	3.5
261.18512	3.5
271.24301	5.2
275.19922	3.6
355.72183	2.3
393.35208	11.9
410.81329	2.6
411.36264	44.6
439.35754	44.2
457.36938	72.2
458.37082	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	457.3315
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
55.05508	10.6
57.07055	3.9
57.74261	2.3
66.12084	2.2
67.05513	16.8
69.03453	5.5
69.07078	32.5
70.70787	6.6
71.05019	3.5
73.06564	3.0
79.05505	19.1
81.07070	33.7
83.04968	2.6
83.08628	5.6
85.06529	5.6
88.17509	2.3
91.05489	17.3
93.07046	28.0
95.04977	5.9
95.08616	42.0
97.06535	23.7
99.08109	5.4
105.07037	35.3
107.04978	3.5
107.08598	36.0
109.06522	7.1
109.10176	24.2
113.06029	14.2
117.07054	9.0
119.08585	42.9
121.06518	6.9
121.10150	26.4
123.08073	15.4
123.11730	7.6
125.09654	5.1
128.06244	4.2
129.07030	7.5
131.08594	23.3
133.06528	6.9
133.10146	27.8
135.07164	3.0
135.08107	10.4
135.11719	11.9
137.09729	4.0
141.06969	4.5
142.07822	3.0
143.08571	10.9
144.09377	4.3
145.10133	30.0
147.08092	4.6
147.11694	15.6
149.09665	6.3
149.13271	5.8
155.08525	5.3
156.09363	2.4
157.10214	14.2
158.10941	2.5
159.08148	5.3
159.11673	28.8
159.12663	2.4
160.21057	2.3
161.09697	10.3
161.13254	20.1
163.11168	3.7
163.14893	7.4
169.10207	7.1
170.10880	3.0
171.11696	14.6
171.13060	2.3
173.09518	2.8
173.13304	31.9
175.11223	6.4
175.14793	12.9
177.12762	6.2
177.16440	5.4
181.10017	3.9
183.11755	8.9
185.13300	10.4
187.11159	3.3
187.14856	14.4
189.12799	9.5
189.16418	7.9
191.14392	10.2
193.12358	2.6
197.13257	5.5
199.11226	9.4
199.14851	9.6
201.12814	12.1
201.16464	3.7
203.14287	18.7
203.17894	2.4
205.15894	17.4
209.13359	2.9
211.14915	5.0
215.14314	6.2
215.18123	3.0
217.15961	6.3
219.13815	61.3
219.17337	3.8
221.13297	2.8
221.15419	3.4
223.14864	2.7
225.16429	6.0
229.15875	5.5
243.17570	6.8
247.17091	2.9
253.15916	2.7
269.18973	3.1
314.34241	2.6
385.28751	2.8
391.29776	4.8
403.30063	9.8
409.31201	10.6
421.31070	24.6
439.32028	31.2
457.33249	100.0
478.30948	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	457.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01885	5.0
55.05524	12.5
57.07067	4.9
67.05504	23.8
69.07070	17.8
69.37952	5.3
69.38359	14.0
71.08620	2.7
73.41600	2.1
79.05482	18.5
81.03407	4.1
81.07059	32.2
83.04989	3.5
83.08626	7.9
85.06557	5.4
91.05482	26.5
93.07043	35.6
95.04982	4.0
95.08612	50.8
97.06567	4.1
97.10175	4.8
97.81149	2.2
99.08105	18.9
103.05479	2.5
105.07040	43.9
107.04962	3.2
107.08604	45.3
109.06580	6.5
109.10161	20.8
111.08100	9.3
117.07029	12.5
119.08593	51.8
121.06537	5.5
121.10136	32.9
123.08127	5.9
123.11711	6.7
127.07555	11.7
129.06990	5.7
131.08591	18.2
133.06462	2.8
133.10141	37.3
135.08066	7.9
135.11679	18.0
137.09642	5.9
141.07034	3.3
142.07765	3.7
143.08575	13.6
144.07831	2.2
144.09215	2.5
145.10126	40.4
147.08072	6.5
147.11688	20.8
149.09663	4.2
149.13287	9.9
151.11241	2.7
155.08592	3.0
157.10115	12.9
158.10992	2.6
159.11713	27.7
161.09680	2.8
161.13277	18.5
163.11186	4.8
163.14833	9.6
169.10164	4.4
171.11757	10.8
172.12582	2.4
173.09760	3.2
173.13309	20.0
175.11266	3.8
175.14798	17.5
177.12823	3.9
177.16403	15.5
183.11748	6.6
185.13219	11.3
187.11198	3.9
187.14828	55.3
189.12865	3.1
189.16382	31.7
191.14392	9.0
193.15707	2.4
197.13327	5.6
199.14943	6.3
201.12814	3.3
201.16403	28.0
203.14346	13.4
203.18077	10.6
205.15877	24.1
205.71228	2.5
213.16447	8.7
215.14227	3.4
215.17940	5.8
217.15930	5.6
217.19568	2.4
219.17464	3.9
223.15045	2.8
225.16362	2.9
227.17989	4.7
233.15421	2.9
235.17000	7.1
239.18178	3.1
241.19585	4.2
243.21196	5.3
247.17043	6.6
269.19022	3.5
292.82132	2.4
365.21149	4.0
375.30655	6.3
383.22354	3.4
393.31564	22.7
403.30145	4.7
409.31204	2.9
421.31012	16.5
439.32062	20.0
455.83203	2.8
457.27478	7.4
457.33325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25328	1.3
53.03943	1.6
55.05513	6.9
57.07059	1.6
67.05514	10.2
69.03428	2.3
69.07079	7.7
71.04976	1.7
71.48950	1.6
79.05492	11.0
81.03371	2.2
81.07054	17.4
83.04973	2.5
83.08627	2.7
84.18669	1.2
85.02892	2.0
85.06520	2.5
87.04998	1.3
91.05492	11.5
93.07042	20.7
95.04981	3.6
95.08607	19.3
96.19078	1.3
96.84116	1.3
97.06528	4.4
97.10194	2.4
99.08096	2.3
105.07030	29.5
107.04943	3.5
107.08591	25.3
109.06523	2.3
109.10168	13.7
111.08105	5.1
113.06036	1.5
117.07040	4.6
119.08588	26.6
121.06541	2.8
121.10141	19.9
123.08072	4.6
123.11671	3.2
125.09635	5.0
128.06273	1.7
129.06973	4.4
131.08553	12.4
133.10138	19.2
135.08101	3.1
135.11739	7.1
137.09598	2.9
142.07794	2.5
143.08563	11.0
145.10135	23.3
147.08049	4.6
147.11716	11.2
149.09631	4.7
149.13287	5.5
151.11186	3.5
155.08588	1.9
156.09306	3.2
157.10135	14.9
158.10931	1.9
159.11670	16.2
160.12086	2.0
161.09651	3.1
161.13268	9.9
162.89310	1.7
163.11226	3.0
163.14816	6.2
165.12743	1.5
169.10036	3.0
170.10956	2.8
171.11694	9.9
173.09683	1.8
173.13292	14.5
175.11256	3.1
175.14883	9.9
177.12720	3.1
177.16415	5.3
181.10172	1.7
183.11717	4.2
185.13312	9.8
187.14833	17.0
189.12704	1.6
189.16409	3.0
191.14360	6.0
195.11671	3.1
197.13225	3.3
199.14787	12.3
201.12737	1.9
201.16374	3.9
203.14310	10.1
205.15860	8.3
211.14877	3.4
213.16350	2.8
215.14305	3.0
217.15916	6.2
219.17480	1.8
223.14861	1.7
225.16394	3.2
227.18019	1.7
229.15977	3.1
231.17401	5.0
239.97568	1.5
243.17366	1.4
245.18835	2.1
246.61572	1.6
261.16412	1.8
267.15918	8.0
391.29886	6.5
393.31744	2.1
403.29999	5.6
409.31027	100.0
410.31375	2.6
421.31192	11.8
439.32111	12.9
450.33548	3.9
457.19519	1.7
457.26779	3.1
457.33170	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46832	0.6
56.96566	1.4
63.34881	0.6
65.03850	0.6
67.86695	0.7
69.79262	3.1
70.06590	1.3
79.05504	1.1
89.03919	4.3
91.05492	0.8
93.07037	1.5
103.05473	6.4
107.04944	2.2
111.04452	1.3
117.03404	3.5
120.08113	100.0
121.08394	1.4
131.04947	2.7
135.04417	5.0
145.02884	3.0
149.06033	1.3
163.03922	30.3
164.04283	2.7
165.51070	0.6
166.08650	45.7
167.08965	0.9
169.03484	0.7
208.80682	0.8
213.28004	0.7
213.63106	0.6
221.03052	1.7
237.00784	0.9
255.01877	1.4
269.08942	0.6
273.02710	1.0
393.04813	0.7
395.08325	1.8
437.09592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1341
Annotation	Adicardin
Peak:m/z	Relative Intensity
53.03951	0.5
57.03419	1.8
61.02925	1.3
67.01846	1.2
69.03424	3.5
70.61617	0.9
71.04986	0.5
72.47565	0.5
77.12977	0.5
79.05489	1.0
81.03436	2.7
85.02909	8.9
89.03500	0.5
89.03935	5.4
91.03931	0.7
91.05460	0.6
97.02908	3.8
99.04482	0.6
107.04937	2.5
109.02858	0.9
115.03918	1.1
117.03388	7.8
127.03947	2.7
135.04419	15.5
145.01773	1.0
145.02853	12.9
145.04890	2.6
151.03943	0.6
153.01881	0.6
161.03050	0.5
163.03911	100.0
164.04195	1.5
181.04953	6.5
233.03036	0.6
234.99002	0.6
237.84410	0.5
253.61729	0.5
295.08200	10.8
313.91879	0.6
325.03577	1.5
337.07874	0.6
380.07065	0.5
457.13864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03408	1.8
53.03941	3.3
55.01876	4.2
55.05520	18.3
57.07082	3.4
65.03956	2.6
67.05508	30.0
69.07076	19.7
70.37423	3.8
70.37817	5.8
79.05500	18.7
81.03389	3.6
81.07063	42.7
83.08631	14.7
85.06539	2.7
91.05493	22.4
93.07051	32.4
95.04971	3.9
95.08618	79.3
95.43510	2.2
97.06572	3.6
97.10172	8.7
99.04458	2.5
105.07044	31.6
107.04971	2.4
107.08604	57.5
109.06517	6.3
109.10165	49.2
109.40738	2.0
111.08076	5.5
117.07026	5.1
119.08595	100.0
121.10159	50.7
121.10994	1.9
123.08115	3.2
123.11708	19.9
125.09665	3.5
127.07538	2.7
129.06992	2.6
131.08582	20.4
133.10143	40.0
135.08110	3.2
135.11716	38.4
137.09628	4.8
137.13286	8.6
139.07570	2.3
143.08569	6.3
145.06499	2.5
145.09068	3.7
145.10147	44.8
147.11694	29.0
149.09679	2.6
149.13274	15.1
151.07600	4.2
151.11209	3.4
157.10167	11.5
159.08029	3.4
159.11716	31.2
161.13271	23.3
162.14227	2.1
163.07570	11.3
163.11147	3.9
163.14836	24.3
169.10100	2.9
170.10843	2.4
171.11685	11.5
172.12468	2.9
173.09608	3.2
173.11775	3.1
173.13284	28.9
175.11156	3.1
175.14835	15.8
177.12766	2.0
177.16382	9.4
179.14285	2.8
183.11658	3.8
185.09572	2.6
185.13295	8.4
187.14853	50.5
189.12744	6.5
189.16429	25.0
191.10675	3.2
191.14316	2.7
191.17961	64.6
193.15973	2.7
199.11125	4.0
199.14870	6.3
201.12794	4.3
201.16402	35.8
203.14287	2.4
203.17975	31.0
205.15962	4.9
205.19537	5.4
206.76537	2.2
207.17183	2.3
213.16380	8.9
215.14378	5.6
215.17957	7.2
217.12204	6.1
217.19539	9.2
219.13762	5.0
219.17542	2.1
227.17970	6.4
228.19600	5.0
229.15921	7.4
229.19568	9.3
231.21089	4.7
233.15361	6.5
245.15495	6.3
247.16957	15.9
259.17001	5.0
273.18411	2.1
275.20013	4.7
382.22128	2.1
391.33777	10.0
409.34836	30.1
409.60153	2.1
419.29352	2.9
437.34460	31.2
438.34470	2.2
455.30991	36.5
456.31949	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33932	3.5
55.05509	20.5
57.07077	4.9
62.44960	3.1
67.05508	92.6
69.07069	22.3
70.74601	9.1
71.05000	19.4
79.05499	24.6
81.03425	4.9
81.07059	68.8
83.04981	8.1
83.08602	15.1
85.06524	5.7
91.04967	4.8
91.05482	40.7
93.07041	43.1
95.04993	6.3
95.08604	66.0
97.06453	5.2
97.10158	7.2
99.08067	3.6
100.38023	3.5
105.07040	42.5
106.07401	3.4
107.08601	63.8
108.08953	4.1
109.06500	4.3
109.10165	62.5
111.08061	6.4
117.06994	8.1
119.08587	65.2
121.06506	4.1
121.10139	45.7
123.11687	16.8
125.09600	6.9
129.07001	3.9
131.08537	15.3
133.06343	3.4
133.10147	49.1
135.11665	25.1
137.09642	4.6
142.07637	4.2
143.08525	9.7
145.10097	31.8
147.11707	32.0
149.09572	3.5
149.13260	23.7
151.11151	4.6
153.09048	3.8
155.08612	3.9
155.43227	3.9
157.10167	11.3
159.08069	4.6
159.11681	28.8
160.17548	3.1
161.13289	17.8
163.11191	15.3
163.14864	21.4
171.11668	9.7
173.11699	9.7
173.13300	14.3
175.11110	4.2
175.14874	25.6
177.12733	8.6
177.16383	31.7
177.83395	3.3
183.11679	4.5
183.13705	4.0
185.13217	4.0
187.14827	29.5
189.16383	43.0
191.14211	7.6
191.17911	11.5
199.14815	5.0
201.16397	12.5
203.14299	8.0
203.17957	87.2
205.15897	83.8
205.19476	5.8
207.17325	4.6
209.11502	4.3
213.16321	7.9
215.17915	7.6
217.15813	5.3
219.17491	5.0
227.18019	4.2
231.17468	5.0
249.18538	10.2
275.19965	3.7
391.33679	8.0
409.34683	100.0
411.27365	9.8
437.34222	12.0
455.30853	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03940	4.6
55.01860	2.8
55.05516	18.2
57.07069	4.4
67.05508	29.5
69.07063	22.1
70.93577	5.2
77.66674	2.5
77.75894	2.2
79.05500	23.3
81.07059	52.2
83.04986	2.4
83.08150	2.3
83.08611	9.1
88.15254	2.5
91.05487	17.9
93.06491	3.5
93.07047	54.8
95.04948	2.8
95.08614	71.8
97.06531	3.5
97.10186	4.2
105.07027	31.6
107.08595	100.0
109.06523	3.7
109.10162	48.8
111.08082	4.3
117.07021	8.5
119.08589	60.3
121.10144	60.9
123.08002	2.7
123.11716	21.8
125.09635	3.9
129.07001	3.9
131.08595	20.5
133.10150	40.6
135.08070	5.0
135.11699	53.8
137.13217	10.4
143.08560	11.8
145.10117	28.7
147.11700	29.4
149.13260	25.5
153.09081	4.1
157.10112	13.6
159.11694	28.8
161.13269	36.9
163.11147	3.2
163.14821	65.1
167.10678	3.0
169.10158	5.0
171.11685	15.5
173.13275	24.3
175.14833	26.6
177.16391	5.8
183.11761	5.5
185.13240	13.2
187.14777	21.1
189.16376	17.7
191.10570	2.9
191.17885	6.1
197.13219	3.3
199.14848	15.0
201.16393	21.0
203.17958	16.5
207.13905	3.6
209.15417	3.7
211.14732	3.9
213.16360	8.2
215.17953	35.0
217.12253	4.2
217.19562	3.1
219.13867	3.5
227.17989	8.1
229.19478	28.3
231.21022	3.2
239.17934	10.9
241.19580	14.0
243.21024	10.7
247.16971	5.5
247.20490	4.1
253.19495	6.9
255.21078	12.3
257.22598	3.5
261.18539	14.7
261.22009	2.8
267.21027	8.2
269.22586	14.1
273.22415	4.2
275.20096	5.0
285.18835	3.0
287.20050	9.9
289.21674	4.5
295.24182	7.3
299.20032	6.2
301.21530	9.3
313.21588	6.6
315.23105	8.7
327.22922	6.1
341.24701	3.1
353.25247	2.8
391.33591	19.0
409.34711	45.5
419.33060	8.4
437.34213	92.0
455.20517	15.7
455.35410	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05513	15.1
57.07059	5.6
65.03918	2.9
67.05509	24.1
69.07073	22.1
71.04987	2.7
79.05492	20.2
81.07056	40.7
83.04962	2.1
83.08627	11.3
85.06494	2.4
91.05482	21.7
93.07052	42.9
95.04954	3.6
95.08611	68.7
97.10150	6.6
105.06404	3.4
105.07037	40.0
107.08597	65.8
109.09498	2.8
109.10164	43.8
110.80859	1.9
111.08058	7.2
117.07002	8.3
119.08582	66.5
121.09340	3.3
121.10153	47.4
123.08025	2.7
123.11704	16.7
125.09613	5.7
127.07580	1.9
129.06973	2.5
131.08560	24.5
133.10132	48.9
135.08038	5.0
135.11693	36.8
137.09625	3.0
137.13211	8.4
139.07497	2.3
143.08517	7.0
144.09305	3.1
145.10130	34.3
146.10548	2.2
147.11688	30.2
149.13239	23.3
149.87569	2.1
153.09091	4.8
156.09392	2.7
157.10103	8.1
159.08020	3.0
159.11688	35.0
161.13260	23.4
163.07550	3.9
163.14830	36.9
165.09093	2.8
169.10188	2.4
171.11658	8.9
173.09554	3.7
173.13255	20.7
175.14830	19.9
177.09114	5.9
177.16339	8.2
183.11702	3.9
185.13271	7.5
186.13921	2.5
187.14830	22.0
189.12732	2.7
189.16377	28.2
191.10629	3.3
191.14278	2.5
191.17949	67.3
193.12141	3.2
199.14777	7.5
201.16389	66.3
202.16779	2.5
203.14264	3.1
203.17952	32.8
205.15952	4.8
205.19478	5.5
207.13802	2.0
211.14874	4.7
213.16347	6.1
215.14442	2.4
215.17958	16.8
217.19505	6.2
219.17506	12.4
227.17902	4.4
229.15860	6.6
229.19493	11.7
233.15344	6.5
239.17967	5.1
241.19456	3.7
243.20963	5.7
245.22768	2.3
247.16930	31.2
253.19601	2.2
255.21075	3.9
257.22781	3.4
261.18512	8.9
265.17957	2.7
267.20956	3.2
269.22614	4.3
275.20114	4.5
287.19968	8.3
291.19144	2.7
295.24313	3.1
299.19980	3.4
301.21518	5.4
313.21527	3.8
315.23294	2.9
391.33542	7.2
409.34769	26.7
419.33313	4.2
437.29053	2.7
437.34268	40.9
455.20291	100.0
455.35806	37.2
456.20462	5.6
480.35059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
55.05503	9.7
60.31046	3.2
67.05510	16.4
69.07069	17.9
69.87795	3.4
70.98099	9.8
79.05490	9.5
81.07063	32.3
83.08615	9.3
91.05475	11.6
93.07053	25.5
95.08616	61.5
97.10185	6.5
97.79784	3.3
105.07031	23.7
107.08601	55.5
109.10166	31.3
113.96267	2.9
115.75330	3.0
117.07023	3.4
119.08590	41.8
121.10158	45.1
123.11681	11.3
131.08574	8.1
133.10135	37.9
135.11737	21.9
135.69135	3.5
143.08607	3.2
145.10121	23.9
147.11713	22.9
149.13260	25.8
159.11682	16.9
161.13261	20.9
163.11136	9.2
163.14816	21.9
173.13260	9.5
175.14772	23.1
177.16405	38.6
187.14810	28.8
189.16406	43.6
191.14424	3.3
191.17943	9.5
201.16367	11.0
203.17970	93.1
205.15887	71.3
205.19638	9.4
207.17502	6.1
213.16383	4.2
215.17943	7.5
227.17844	4.1
229.19429	4.5
231.17351	4.5
233.19006	7.0
249.18503	11.2
391.33487	8.4
409.34641	100.0
425.34399	4.7
437.34344	21.1
455.35449	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03941	4.3
55.05512	16.6
56.96544	2.6
57.07051	6.3
57.80468	2.0
58.82435	2.3
59.02944	2.0
65.03913	2.6
67.05506	31.9
69.03423	3.2
69.06739	2.5
69.07071	27.5
71.33759	3.9
79.05496	26.6
81.07058	61.3
83.08607	10.9
85.06517	2.4
91.05479	31.7
93.06493	3.7
93.07051	63.8
95.05009	3.4
95.08610	78.3
97.06561	2.6
97.10173	8.5
105.07035	39.4
107.08601	100.0
109.06506	3.5
109.10165	55.4
109.10905	2.2
111.08101	5.6
117.07013	9.9
119.08585	69.3
121.06524	2.8
121.10144	70.6
123.08060	2.5
123.11707	26.5
125.09639	3.8
128.05145	2.2
129.06981	2.4
131.08578	25.4
133.10136	46.5
135.08017	2.6
135.10718	3.4
135.11697	56.1
137.13266	12.4
141.06935	2.4
142.07780	3.1
143.08540	12.0
144.09209	2.7
145.10135	36.0
147.11685	39.6
149.09583	2.0
149.13266	26.0
151.14935	2.9
153.09096	2.9
157.10138	12.9
158.10901	2.6
159.08134	2.5
159.11690	31.9
159.12898	3.4
161.09671	2.3
161.13248	35.0
163.14828	74.1
169.10129	4.3
170.10826	2.8
171.11681	21.7
173.11806	3.3
173.13264	30.7
175.14865	25.7
177.16399	10.5
179.14270	6.1
181.12219	3.7
183.11681	8.2
185.13264	15.3
187.14836	23.4
188.15178	2.4
189.16386	18.5
191.17944	5.9
195.11711	2.5
197.13214	5.4
199.14833	13.4
201.16376	22.5
203.14267	2.6
203.17953	18.1
205.15875	4.0
205.19652	2.3
207.13799	2.9
209.15404	4.1
211.14819	7.4
213.16357	10.0
215.17975	34.3
217.12231	5.3
217.19530	6.6
225.16396	3.4
227.17915	8.5
229.19521	31.6
239.17952	12.9
240.18524	2.8
241.19530	14.0
243.21024	11.4
247.20639	2.8
253.19489	5.9
255.21088	16.2
257.22629	6.3
259.16602	2.9
259.20563	3.4
261.18497	17.9
267.21060	7.4
269.22672	14.3
273.18280	3.6
275.20114	6.2
281.22620	4.3
285.18375	3.9
287.20044	9.5
289.21622	4.4
295.24149	7.2
297.22086	3.1
299.20023	3.8
301.21646	10.1
313.21542	6.9
313.25137	2.4
315.23105	9.7
327.23093	5.1
341.24823	3.8
363.30902	2.7
367.26175	2.8
391.33691	18.8
392.34006	2.8
394.40149	2.3
401.31982	4.2
409.34711	54.2
410.34641	3.8
419.33292	11.8
437.34241	95.6
438.34439	3.2
455.20444	25.5
455.35529	98.1
456.35657	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.3
57.07082	9.4
67.05517	21.8
69.07065	20.5
69.21492	20.8
69.21913	11.6
79.05495	20.4
81.07061	40.1
83.08617	16.4
85.06565	6.3
91.05475	21.8
92.15625	3.2
93.07047	36.4
95.08613	100.0
97.10184	5.9
98.29583	3.2
105.07043	40.6
107.08597	86.8
109.10167	39.1
117.07040	9.3
119.08584	84.7
121.09328	6.9
121.10153	79.1
123.11713	21.9
131.08604	12.5
133.10141	61.8
135.08031	3.5
135.11694	34.6
137.13278	6.1
143.08488	7.9
145.10123	37.6
147.11694	41.9
149.13266	30.6
153.09099	7.8
157.10196	9.4
159.11702	29.0
161.13274	28.4
163.11191	6.3
163.14835	22.9
165.12794	3.8
171.11612	4.8
173.13301	14.9
175.14821	35.9
177.16380	55.2
187.14880	21.1
189.16386	74.9
191.17964	19.0
199.14816	6.6
201.16396	25.9
203.16115	3.6
203.17979	72.2
205.15871	76.1
205.19521	11.8
207.17511	8.7
213.16376	8.4
215.17996	14.5
217.16002	6.0
217.19432	4.9
219.17456	9.3
221.18912	3.6
227.17873	6.5
229.19485	8.5
235.16835	10.2
247.16978	7.1
249.18565	12.9
261.18497	8.2
295.24152	6.9
313.25531	8.3
315.23148	4.3
390.40665	3.5
391.33466	13.0
409.34671	68.5
437.34250	38.7
455.35492	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.0
55.89435	2.9
57.07059	7.3
65.84859	3.2
67.05499	20.4
69.07063	25.5
69.53507	10.6
69.53906	5.5
79.05493	24.2
81.06608	3.1
81.07060	45.4
83.04990	2.8
83.08635	22.3
91.05510	14.2
93.07041	36.1
95.08607	96.9
97.10148	5.8
98.20813	5.1
105.07033	48.6
107.08593	77.4
109.10153	48.0
113.09607	3.4
117.07001	3.5
119.08586	83.5
121.10140	57.9
123.11708	17.6
125.09660	3.5
129.06972	3.1
131.08572	16.5
133.10120	54.6
135.08026	4.8
135.11685	29.9
137.09630	3.3
137.13206	9.5
143.08508	4.9
144.09413	3.0
145.10135	29.8
147.11697	52.9
147.45068	2.6
149.13246	31.0
153.09099	4.5
156.71500	2.7
157.10139	5.8
159.11702	23.4
161.13258	28.4
163.11240	3.5
163.14821	69.9
165.12720	8.4
171.11661	4.6
173.13269	16.6
174.13910	2.8
175.11223	4.9
175.14842	47.5
177.16396	39.7
183.11713	3.3
185.13184	5.5
187.14835	23.6
189.16380	100.0
190.13412	6.0
191.17960	16.5
193.15884	3.7
199.14841	5.9
201.16408	30.3
203.17963	89.0
204.18213	2.9
205.15865	36.5
207.17406	9.0
213.16357	7.4
215.18018	15.0
217.15935	6.2
217.19489	9.5
219.17444	8.6
221.15289	3.0
221.18900	3.6
227.17868	8.3
229.19482	7.0
231.17502	3.8
231.21002	3.0
233.19034	4.5
235.16930	4.9
239.17960	3.4
243.20982	4.4
247.16841	5.0
249.18500	8.4
253.19475	4.3
255.21034	3.2
261.18362	5.4
391.33560	15.7
409.34631	90.5
410.35138	3.7
411.32196	5.7
413.94348	3.3
437.34207	27.6
438.34967	3.2
455.35345	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.9
57.69728	1.7
67.05508	8.0
69.07078	9.7
69.16283	16.9
72.96899	1.6
74.01084	1.5
75.46645	1.8
79.05492	7.4
81.07059	14.9
83.08624	4.6
91.05488	5.2
93.07055	16.3
95.05003	1.9
95.08614	35.3
97.10191	3.6
105.07038	17.3
107.08606	40.7
109.06478	2.0
109.10155	18.1
111.08098	3.5
117.06995	2.6
119.08587	46.8
121.10153	29.2
123.11665	9.8
131.08568	6.0
131.82491	1.6
133.10130	33.4
135.11685	11.7
135.63979	1.6
145.10144	23.4
147.11699	23.2
149.09636	1.8
149.13261	7.1
153.09105	2.9
159.11714	15.7
161.13274	17.3
163.11195	10.9
163.14839	8.3
167.10683	2.4
173.13287	6.2
175.14815	12.3
177.16406	21.1
185.13220	1.9
187.14818	30.4
189.16391	55.3
191.17993	3.9
201.16415	5.6
201.22945	1.6
203.17973	64.6
205.15881	100.0
205.19315	9.8
206.16185	3.7
207.17404	10.7
215.17943	4.3
221.18990	2.2
223.16870	1.8
227.17984	1.8
249.18515	13.0
295.24194	3.5
313.25284	6.1
391.33694	3.9
409.34689	26.5
437.34235	28.3
455.35349	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.3
57.07063	1.6
67.05500	6.3
69.07070	5.4
71.50595	1.7
79.05491	6.5
81.07053	10.4
83.08615	4.2
91.05494	3.8
93.07059	10.7
95.08614	28.6
97.10171	2.3
105.07037	12.9
107.08601	39.9
109.10167	15.3
119.08575	19.5
121.10160	24.7
123.11708	4.9
125.61047	1.6
131.08572	5.4
133.10139	16.9
135.11729	10.9
145.10149	10.4
147.11719	9.2
149.13260	8.2
157.10126	2.2
159.11719	5.3
161.13258	7.2
163.11176	10.9
163.14836	7.3
173.13274	3.6
175.14801	12.0
177.16397	30.4
183.55220	1.7
187.14825	16.5
189.16359	12.1
191.17859	3.7
197.54172	2.1
201.16397	4.3
203.17960	27.2
205.15880	100.0
206.16318	2.4
207.17497	5.1
215.17967	4.6
217.19356	2.5
241.75549	1.7
249.18425	4.8
295.24237	4.9
313.25156	8.2
386.82498	1.8
409.34616	33.7
437.34174	11.9
441.08356	1.9
455.35272	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	20.4
65.60844	5.0
67.05492	23.2
69.07074	36.2
70.11239	24.0
79.05489	25.5
81.07055	60.2
83.08631	11.2
91.05472	23.3
93.07066	59.6
95.08611	100.0
105.07038	76.9
107.08589	78.4
109.06516	9.7
109.10152	59.9
111.08084	91.0
117.06992	8.9
119.08580	75.0
120.76774	5.1
121.10157	73.0
123.11691	20.3
131.08545	20.9
133.10135	66.8
135.11678	36.6
139.11160	10.4
145.10114	41.5
147.11702	73.3
149.13283	55.6
153.09091	8.2
157.10088	6.3
159.11685	35.7
161.13283	64.0
163.14850	32.5
171.11668	6.8
173.13228	30.2
175.14844	33.5
177.16396	43.6
187.14854	30.1
189.16394	77.5
191.17937	31.6
199.14940	9.0
201.16379	54.9
203.17986	92.0
205.15901	12.2
205.19464	9.8
207.17424	22.4
215.18004	20.1
217.19385	9.4
219.17490	21.3
221.19052	5.5
229.19522	10.0
233.19058	8.4
235.17004	11.1
243.21135	10.7
247.16806	6.5
249.18504	14.7
287.20074	6.9
409.34714	84.4
425.34067	7.9
437.34125	23.2
455.35284	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13853	2.8
55.05515	20.2
57.07067	6.1
65.19160	3.1
67.05515	25.4
69.07084	26.0
69.47945	22.1
79.05498	22.4
81.07064	54.2
83.08628	21.8
91.05497	18.6
93.07050	46.0
95.08614	100.0
99.08073	3.8
105.07039	46.2
107.08601	88.3
109.10163	46.9
111.08090	6.9
117.07024	5.9
118.40759	3.9
119.08591	78.7
121.10153	75.4
123.11703	23.0
129.07088	3.2
131.08575	15.6
133.10146	57.5
135.08002	3.8
135.11699	31.9
137.08012	3.4
137.09688	5.0
137.13300	7.9
139.11226	4.4
143.08580	5.7
145.10126	33.6
147.11697	44.2
149.09590	5.4
149.13269	24.9
153.09111	5.6
157.10176	9.4
159.11688	31.7
161.13266	29.9
163.11230	9.2
163.14886	21.6
164.21405	3.2
165.12784	8.7
165.57156	2.9
171.11720	9.7
173.13280	13.2
175.14839	35.6
177.16389	45.2
180.47701	3.5
185.13171	7.1
187.14848	26.2
189.16402	71.9
191.17987	21.5
199.14919	6.8
201.12737	3.2
201.16423	26.3
202.85228	3.5
203.17992	68.7
203.19810	6.8
205.15903	51.7
205.19569	7.1
207.17470	9.2
213.16286	6.1
215.18028	18.2
217.15752	4.4
217.19446	5.6
219.17561	7.0
221.19070	4.3
229.19513	7.4
229.50650	3.2
233.15150	3.9
235.16910	7.6
236.52327	3.2
239.17967	5.7
247.16948	7.6
249.18597	10.3
253.19640	4.9
261.18600	7.4
267.21091	5.7
301.21799	3.8
313.25140	5.9
341.24841	3.4
391.33737	13.4
409.34717	64.8
410.34216	3.8
411.32642	5.0
437.34210	31.8
455.35800	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	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.2
57.07060	9.0
59.80203	2.0
64.14904	1.9
67.05508	24.8
69.07072	21.7
69.14252	11.1
69.14674	9.7
71.08633	5.0
79.05489	12.9
81.07049	32.1
83.08618	30.6
85.10193	3.3
89.06001	4.2
91.05477	13.6
93.07041	33.3
95.07987	3.8
95.08605	76.7
95.49760	2.0
97.10185	10.3
105.07031	37.8
107.08594	61.5
109.06522	3.7
109.10152	35.9
111.08096	3.6
112.82392	2.1
117.07002	2.5
119.08580	67.5
121.10141	45.9
121.10873	1.3
123.11702	14.2
125.09642	7.7
129.07013	3.1
131.08566	13.5
133.08606	3.1
133.10126	47.7
135.11702	23.8
137.13268	5.7
143.08588	3.1
145.10114	19.5
147.11682	35.4
149.13243	16.0
153.09117	5.7
157.10109	4.6
159.11716	15.6
161.13235	22.3
163.11133	3.1
163.14818	27.4
165.12762	3.5
171.11700	5.6
173.13280	9.1
175.11369	2.6
175.14816	34.3
177.16385	37.7
179.10692	2.1
182.33723	2.1
185.30457	2.2
187.14807	23.0
189.16374	100.0
191.17926	12.6
199.14833	2.2
201.16406	21.8
203.17963	73.1
205.15869	12.3
207.17444	12.9
213.16391	3.6
215.17960	12.2
217.15894	2.8
217.19464	5.8
219.17487	7.3
221.15448	2.8
227.18028	3.2
229.19556	3.5
233.15269	2.4
235.16873	13.9
239.23830	2.7
241.19479	2.5
243.21149	3.2
247.16908	5.3
249.18549	12.1
253.19640	2.2
255.21031	2.6
329.24658	3.8
355.26236	4.0
365.32220	2.9
391.33524	12.6
405.39056	2.2
409.34668	31.1
411.32623	19.1
437.34305	23.1
446.19339	2.7
451.80692	2.2
455.35535	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
54.78127	2.2
55.05512	18.2
55.90920	1.9
56.78685	2.0
57.07074	5.7
59.05042	1.9
62.57897	2.4
67.05516	20.3
67.08150	2.1
69.07082	18.9
69.99738	4.1
70.00150	8.8
71.08643	2.3
79.05494	13.2
81.07063	36.1
83.08627	9.8
85.06567	2.7
91.05483	20.8
93.07050	35.6
95.08614	64.8
97.06554	2.4
97.10180	8.8
105.07044	34.7
107.08605	59.9
109.06518	3.6
109.10166	42.1
111.08130	4.2
117.07047	5.2
119.08588	100.0
121.06558	3.5
121.10150	44.0
123.08088	7.2
123.11728	17.6
125.05992	3.6
125.09673	3.0
129.07022	3.1
131.08565	15.6
133.10146	41.5
135.08066	5.9
135.11700	30.5
137.05974	3.8
137.13231	5.5
143.08571	8.4
145.10152	39.8
147.11700	31.5
149.09631	4.4
149.13297	14.6
151.07561	53.1
153.09106	3.0
157.10133	7.4
159.11705	32.5
161.09608	4.3
161.13283	23.7
163.07588	11.4
163.11246	6.0
163.14819	27.2
165.09024	2.0
165.12839	2.4
169.10103	2.3
171.11705	8.9
172.12509	3.2
173.09769	2.1
173.13263	24.2
175.11212	4.3
175.14893	19.0
177.09157	2.7
177.12790	3.3
177.16412	14.9
179.10675	2.1
179.14374	3.5
183.11665	2.6
185.13336	6.6
187.14833	47.9
189.12877	3.5
189.16396	37.0
191.14304	3.2
191.17953	54.1
199.14854	9.1
201.12833	2.9
201.16402	39.7
203.14264	3.4
203.17961	33.3
205.12239	3.2
205.15930	3.3
205.19585	3.6
207.17487	2.6
211.14742	2.5
213.16374	6.3
215.14346	4.6
215.17986	8.8
217.19608	6.7
219.13843	18.9
219.17419	2.6
221.15392	4.0
221.19046	4.9
227.17958	6.3
229.15894	7.2
229.19536	11.4
233.15401	6.3
235.16937	3.1
239.17961	2.9
241.19583	4.4
243.21080	3.7
245.15468	2.5
247.16939	16.3
255.21127	2.9
257.18884	2.3
269.22687	2.9
273.18466	2.8
275.20251	3.5
327.97076	2.2
391.34103	12.1
409.30746	7.2
409.35324	23.8
437.34232	35.3
455.31656	26.1
455.36404	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	455.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.1
70.04185	1.1
70.04570	1.6
75.14190	0.6
81.03432	0.8
85.02888	1.4
91.05463	0.8
97.02894	0.6
98.21516	0.9
117.06985	2.0
118.50375	0.6
120.82322	0.6
129.01408	0.6
143.07350	0.9
144.08101	100.0
145.08438	1.8
146.42384	0.6
151.03943	0.6
161.10767	16.6
163.03986	1.0
174.06767	1.0
189.09120	0.7
293.13992	2.9
322.44937	0.7
413.07455	0.8
455.01410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11013	6.8
51.62214	6.6
55.01873	10.5
55.05515	37.7
57.03416	8.1
62.16132	7.3
67.05494	36.3
69.03419	24.6
69.07056	23.1
71.04996	8.1
71.49444	12.3
71.73910	7.5
78.87330	7.4
79.02646	7.2
79.05481	29.5
81.03410	12.0
81.07067	57.5
83.04971	9.1
83.08603	24.9
85.02919	36.7
85.06579	15.0
87.04480	11.0
90.65023	8.8
91.05476	31.9
93.07059	55.3
95.04964	14.5
95.08617	48.7
97.06519	14.0
97.10143	9.4
99.04444	10.0
100.11263	46.2
101.11585	17.5
103.05452	19.4
105.07050	57.6
107.08610	64.4
109.02905	10.8
109.06522	9.7
109.10149	41.7
111.08074	8.5
113.09629	8.6
119.08585	75.3
121.06505	23.8
121.10144	42.1
123.08080	50.6
123.11709	13.7
125.09606	16.9
131.04947	65.2
131.08578	24.4
133.10118	46.1
135.08061	75.7
135.11716	17.8
137.09613	32.0
143.08560	14.9
145.10103	28.3
147.04446	11.2
147.08049	21.5
147.11722	20.8
149.09659	33.9
153.01804	17.7
155.08649	6.6
156.13815	9.7
159.08115	8.4
159.11736	25.9
161.09679	14.5
161.13249	16.5
163.03862	14.6
163.11188	30.9
165.09135	55.7
171.11682	14.2
173.13222	26.5
175.11192	14.8
175.14848	12.5
182.15373	16.6
183.15649	9.4
187.14813	8.4
197.13210	8.3
199.14708	7.8
201.12816	9.9
210.14932	18.6
211.15086	12.2
215.14360	9.8
217.15973	8.3
227.17873	10.9
233.19000	14.4
249.62788	7.1
257.19025	22.1
263.20056	25.5
275.20078	100.0
293.21146	80.2
390.80936	8.6
391.31415	8.1
455.20502	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80861	0.2
69.79279	0.9
82.23270	0.2
82.99886	0.2
89.00896	0.3
101.00879	1.4
101.01473	0.2
101.01768	0.2
101.78880	0.2
115.02444	0.2
119.01921	1.2
127.02420	0.7
131.01923	0.2
139.02437	0.6
143.01848	0.9
145.03465	1.3
157.03482	1.3
159.01392	0.3
161.02977	1.4
167.01884	0.3
169.03430	1.3
171.05067	0.3
173.03104	0.2
173.13316	0.2
173.14732	0.2
185.02956	0.8
187.04488	1.0
190.42497	0.2
191.99843	0.3
197.02951	0.5
203.04005	1.4
204.00060	0.2
211.04581	0.2
215.04060	0.5
217.00801	0.2
221.05090	2.2
229.05489	0.4
234.01129	0.2
236.00711	0.3
239.06218	1.3
240.01100	0.4
243.76117	0.2
248.00888	0.3
249.01613	0.8
263.06128	16.5
264.06329	0.4
269.01254	0.3
275.06107	4.1
278.01968	0.7
278.51785	0.3
284.01883	1.0
284.38809	0.2
284.51953	0.4
287.02328	0.5
287.52380	0.3
289.07736	2.1
291.05557	2.2
293.02423	0.3
293.07092	0.4
305.02298	0.4
306.99060	0.4
314.02844	0.4
317.07169	0.8
320.02890	0.3
341.07266	0.2
365.04468	1.4
365.54468	0.3
371.00778	0.5
377.09290	2.7
395.10284	3.1
396.10532	0.3
407.00674	0.3
413.01660	0.2
414.01953	0.3
455.11618	100.0
456.11841	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	455.2042
Annotation	Diplacol 4'-methylether
Peak:m/z	Relative Intensity
52.43950	0.7
53.03934	0.9
55.05504	3.3
56.96552	1.1
57.36701	0.7
67.05511	6.1
67.95422	0.7
69.07079	4.5
70.55682	0.9
70.56013	1.5
71.05000	1.2
73.02917	0.6
77.30669	0.7
79.05495	4.1
81.03383	0.8
81.07057	9.1
83.04996	1.3
83.08607	2.7
85.02888	1.2
91.05478	5.1
93.07044	7.8
93.66496	0.8
95.04997	1.1
95.08617	12.4
96.50756	0.7
97.06541	0.8
97.10150	2.1
105.07034	7.8
107.08605	12.9
109.10159	8.3
111.08087	1.7
111.66676	0.7
116.42083	0.7
117.07006	2.2
119.08585	13.3
120.14185	0.7
121.10151	10.2
123.11700	2.7
128.06244	0.8
129.07059	1.0
131.08580	4.1
133.10149	11.0
135.08102	1.7
135.11716	5.6
137.13235	0.8
143.08534	1.4
145.10130	8.5
147.11717	6.0
149.09653	0.9
149.13268	2.9
151.07552	1.3
151.11165	1.0
153.09132	0.9
157.10199	1.1
159.08014	0.9
159.11711	6.8
161.13284	4.4
163.07567	1.1
163.11041	0.7
163.14809	3.3
169.10110	1.1
171.11719	1.8
173.09657	0.9
173.11928	0.8
173.13245	4.0
175.14876	3.5
177.09261	1.1
177.16402	2.2
179.14223	1.0
180.56331	0.7
185.13258	1.8
187.14784	5.4
189.16441	4.9
191.10719	0.8
191.17953	12.1
201.16388	13.1
203.17995	6.0
213.16396	1.3
215.17923	3.0
217.19530	1.0
219.17421	2.2
227.17992	1.4
229.15938	1.3
229.19522	2.1
241.19563	1.8
247.16982	4.1
287.20218	1.3
381.19449	1.6
391.33643	2.0
409.34796	3.6
432.96600	0.9
437.34567	4.3
440.18295	1.0
455.20380	100.0
455.30698	3.1
455.35159	3.7
456.20901	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.97943	0.7
55.05509	3.8
57.03428	3.4
57.07078	23.6
62.06091	25.4
62.06418	1.2
67.05513	4.5
69.07047	2.9
70.74640	2.3
71.08635	15.3
77.77925	0.7
79.26431	0.7
81.07070	5.3
82.07362	0.9
83.08624	3.1
85.10179	9.4
95.08618	8.8
97.10172	2.0
98.98460	6.0
103.07606	1.0
107.08561	1.2
109.10143	4.9
109.55199	0.7
123.11707	2.1
124.01609	1.9
124.82909	0.9
131.08676	0.8
142.02676	1.3
155.01030	7.7
166.35258	0.8
198.05293	1.4
201.16454	0.9
216.06299	2.1
239.23705	1.7
259.35016	0.9
282.27893	13.3
312.19672	0.8
313.27368	100.0
314.27835	2.7
393.24030	5.2
403.47833	0.9
436.27972	1.6
454.33838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82220	1.0
57.27929	0.9
70.52066	3.1
81.55867	0.9
91.06596	1.0
122.01311	1.1
143.01903	1.2
161.02995	1.3
173.02995	1.8
191.73195	0.9
197.02756	1.1
263.06171	2.0
275.06149	2.3
395.11081	1.4
455.11649	100.0
456.12112	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	454.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
67.05512	6.0
69.03437	9.1
69.64175	22.4
69.64587	6.0
71.04994	5.8
72.14189	4.7
79.05492	8.0
79.90249	4.0
83.04988	11.6
85.02906	10.5
91.05492	9.6
95.05001	7.5
97.02914	6.1
105.07016	4.9
106.83418	4.6
107.04945	18.0
113.06015	12.7
117.07031	8.2
119.21187	5.2
120.08075	4.8
123.04379	5.6
131.08589	7.9
135.04420	5.8
137.05997	7.4
144.05739	6.3
145.06496	15.1
156.05708	14.8
159.08031	13.2
163.03940	26.4
164.04338	8.1
167.07022	100.0
173.06021	20.2
187.07571	21.6
190.06236	9.5
205.08601	23.3
208.05176	4.6
217.08565	55.1
219.08138	6.8
219.10187	13.8
229.08640	7.0
235.09625	5.3
247.09673	18.5
248.08246	5.7
293.10519	5.2
330.10913	14.8
339.12302	7.6
371.14929	14.2
383.14926	55.8
394.08966	5.1
401.15912	18.3
454.01230	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	453.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61091	3.9
53.03938	7.5
55.05514	27.3
57.07068	5.6
66.14434	4.6
67.05508	55.7
69.07072	20.8
71.04975	6.3
71.49010	4.8
75.39604	4.0
77.67906	4.0
79.05505	26.8
81.03416	11.3
81.07064	95.2
83.04995	20.4
83.08616	12.1
85.02917	5.2
85.06536	7.4
89.70798	3.4
91.05489	40.0
93.07050	59.7
95.05003	9.3
95.08614	100.0
97.06498	6.2
97.10168	9.7
99.08107	4.0
105.07035	72.5
107.04952	4.2
107.08596	85.8
109.06518	7.4
109.10168	59.3
111.08073	12.0
117.07014	12.1
119.08587	98.8
121.06561	3.8
121.10141	62.7
123.08073	10.7
123.11744	28.9
125.09595	11.0
129.07008	6.5
131.08597	37.9
133.10143	75.6
135.08046	5.9
135.11720	27.4
137.09599	5.1
137.13232	6.3
143.08530	19.5
144.09328	3.8
145.10127	71.7
147.11717	34.7
149.09586	5.9
149.13235	14.5
153.09131	4.1
156.09326	4.2
157.10201	19.2
159.08037	4.1
159.11717	46.9
159.26450	3.7
161.13271	31.2
163.11186	6.0
163.14854	12.4
169.10115	5.8
171.11713	10.6
173.13312	35.3
175.14835	30.6
177.09088	6.0
177.16396	27.7
183.11743	8.2
183.64812	4.0
185.13223	9.9
187.14876	45.2
189.16414	45.2
191.14340	37.1
191.17998	19.1
193.12178	8.0
199.14861	15.8
201.14619	5.1
201.16396	60.2
203.14340	9.7
203.17941	37.6
205.15869	51.4
205.19585	6.1
210.14490	3.7
211.13249	9.6
213.16364	26.3
215.17899	22.5
217.15933	14.1
217.19385	7.1
219.17444	35.1
225.16408	6.3
227.17833	8.5
229.15895	12.8
231.17424	8.9
233.19051	4.5
235.16959	21.4
241.19519	6.2
247.16881	10.8
255.21097	5.6
267.21048	9.0
271.34607	4.4
281.22797	5.3
311.23590	11.5
389.32007	10.6
407.33044	68.5
423.32553	5.3
435.32501	16.2
453.28839	10.2
453.34018	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43238	2.0
53.03941	3.2
55.05515	17.6
57.07066	5.0
65.03932	2.7
66.50794	2.1
67.05504	27.1
67.41816	1.8
68.62262	1.9
69.03420	4.6
69.07068	20.4
69.67406	11.7
69.67825	4.2
79.05493	19.8
81.07055	60.3
83.04987	17.2
83.08601	12.6
91.05479	28.7
93.07049	44.9
95.04948	8.1
95.08608	86.9
97.06532	6.5
97.10188	7.6
105.06329	3.0
105.07035	78.8
107.08592	78.9
109.06489	8.5
109.10155	51.1
111.08077	6.6
115.05440	2.6
117.07019	10.6
117.70111	2.1
119.08588	100.0
121.10144	66.1
123.08049	6.4
123.11703	19.4
125.09628	7.2
129.07005	8.3
130.07768	3.6
131.08574	40.0
133.10135	75.4
135.08098	3.9
135.11702	23.5
137.09622	5.9
137.13275	2.9
141.07022	2.6
143.08565	16.1
144.08067	2.3
144.09343	7.0
145.10129	70.4
147.11688	44.8
149.09564	4.7
149.13249	20.7
151.11191	6.5
153.09009	4.8
157.10138	19.9
158.10875	3.9
159.11691	59.7
161.09546	2.8
161.13264	34.3
163.03857	4.0
163.11142	4.3
163.13596	3.0
163.14850	26.7
166.38144	2.4
169.10089	2.9
171.11710	13.2
172.12482	4.2
173.13249	35.2
175.14830	41.3
177.16403	34.0
183.11679	4.1
184.12494	3.0
185.13251	9.4
187.14807	70.2
188.15201	2.7
189.16386	83.3
191.10591	2.2
191.14287	22.4
191.17970	19.7
193.15820	4.5
197.13336	2.4
199.14848	16.4
201.16380	75.4
202.16725	2.3
203.14346	6.4
203.17947	44.2
205.15883	34.3
205.19563	4.7
207.17461	3.7
211.14876	3.3
213.16393	30.1
215.17993	31.0
217.15918	19.7
217.19470	12.7
219.15474	3.5
219.17439	39.9
221.15401	3.5
227.17986	7.1
229.16107	2.3
229.19493	4.1
231.17482	10.6
233.19035	7.5
235.16896	15.2
239.17882	4.6
241.19556	10.7
243.21019	4.8
247.16885	9.8
249.18494	6.6
253.19530	4.0
255.21004	5.4
259.20624	3.8
261.18631	11.3
267.20996	7.8
269.22723	2.6
281.22794	2.4
283.24179	2.4
293.22672	2.9
311.23596	2.5
379.33298	2.8
389.32016	15.1
391.34094	2.5
395.33142	3.2
407.33090	67.0
408.33588	3.6
409.34680	5.9
423.32678	5.4
425.34030	6.2
435.22940	3.5
435.32712	14.6
453.27924	3.8
453.33667	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63348	2.1
51.64531	2.1
53.03953	4.9
55.01848	2.2
55.05513	18.9
57.07081	5.4
67.05511	29.0
69.07078	16.6
71.04987	3.5
71.49940	2.4
79.05496	23.2
79.86208	2.0
81.07060	61.0
81.07535	4.0
83.04984	19.4
83.08635	12.0
91.05473	28.4
91.82917	2.1
93.07053	50.2
95.04451	1.9
95.04969	9.2
95.08616	79.8
97.06535	3.0
97.10178	5.6
99.08147	2.7
105.07041	64.0
107.08607	80.6
109.06532	6.3
109.10165	50.1
111.08089	10.2
111.11700	1.9
115.05453	3.0
117.07032	10.6
119.08592	100.0
120.08891	2.5
121.10159	62.3
123.08067	6.1
123.11725	18.2
125.09670	9.6
129.07016	6.7
130.07787	2.8
130.74692	2.4
131.08585	34.4
132.88876	2.1
133.10143	63.6
135.08054	3.2
135.11696	25.9
137.09608	5.0
137.13255	2.4
142.07802	2.9
143.08542	15.4
144.09364	4.4
145.10133	69.1
147.11700	33.2
149.09645	5.0
149.13268	16.8
151.11180	9.2
153.09096	4.2
157.10127	19.0
158.10938	3.5
159.11719	56.8
161.13283	31.7
163.11134	3.9
163.14871	20.9
165.16351	2.4
169.10126	3.9
171.11743	11.5
172.12462	3.9
173.09624	2.9
173.13275	31.3
175.11357	2.2
175.14839	38.2
177.12823	2.3
177.16397	22.5
183.11722	3.5
184.12482	4.6
185.13269	6.6
187.14847	57.1
189.16411	72.4
191.14391	15.5
191.17975	17.3
192.38914	2.8
193.15909	5.8
197.13287	4.6
199.14874	17.7
201.16403	77.3
203.14316	3.0
203.17987	27.6
205.15901	23.6
207.17435	6.4
209.13272	2.8
211.14864	2.5
213.16415	32.4
215.17999	32.2
217.15971	16.1
217.19524	11.3
219.17459	42.3
227.18054	5.6
229.15892	3.1
231.17496	4.6
233.18976	3.6
235.16989	15.8
241.19469	8.2
243.21048	7.1
247.14798	2.0
247.16849	11.4
249.18474	3.3
253.19545	2.2
255.21080	6.1
257.22568	3.7
261.18494	11.1
267.21222	9.5
269.22733	3.8
321.25656	2.5
389.32278	12.3
407.33136	59.9
408.33127	2.1
409.34521	6.7
423.32578	4.2
435.32596	16.4
453.33789	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.4
57.07080	4.2
65.03944	3.2
67.05512	27.8
69.07076	25.4
70.17784	3.2
70.31335	5.1
70.31705	13.1
79.05505	26.4
81.07070	68.8
83.04978	20.0
83.08606	7.9
86.09705	5.5
87.10054	5.0
91.05490	29.1
93.07056	57.6
95.04964	13.4
95.08070	6.0
95.08620	87.5
97.10195	3.6
104.10755	28.9
105.07044	81.5
105.11098	6.6
107.08606	81.8
109.06516	14.9
109.09610	3.7
109.10181	47.5
111.08085	7.8
111.13148	3.8
117.07011	10.5
118.73735	3.0
119.08593	100.0
121.10154	68.6
123.08067	5.5
123.11720	17.7
125.09642	11.5
128.51428	3.3
129.06995	4.8
131.08577	36.6
133.10141	75.7
135.11703	31.0
137.09642	4.2
137.13199	4.6
142.07826	4.4
143.08598	20.4
145.10138	69.7
147.10696	3.9
147.11726	48.9
149.09662	5.2
149.13293	25.1
151.11151	5.2
153.09171	6.2
155.08498	4.2
157.10132	19.7
159.11710	67.5
161.13280	49.5
163.11156	5.6
163.14836	23.7
169.10167	6.3
171.11723	10.7
173.13268	36.9
175.14836	38.8
177.16402	23.6
184.07362	7.1
185.13257	10.0
187.14841	58.9
189.14799	5.7
189.16400	77.7
191.14314	14.2
191.17966	10.8
193.15829	3.6
197.13315	5.5
199.14828	25.3
201.16399	95.2
203.14391	5.3
203.17987	42.5
205.15936	22.5
207.17458	5.9
211.14780	4.1
213.16414	42.4
215.17989	52.9
217.15932	26.6
217.19572	8.6
219.17479	46.1
221.15266	3.5
221.19011	3.5
227.17931	6.6
229.19550	8.0
231.17427	8.3
233.18993	8.9
235.16968	23.2
239.17957	4.9
241.19550	10.7
243.21016	10.8
247.16943	10.1
249.18512	6.8
253.19606	3.5
255.21046	8.2
261.18555	23.7
267.21158	9.3
281.22476	4.0
301.21686	3.6
351.26672	3.7
389.32162	17.0
395.29449	8.5
407.33182	80.4
409.34528	6.0
423.32861	4.8
435.32611	20.1
453.33786	76.5
454.33932	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.47115	2.4
55.05511	14.2
55.93316	2.7
57.07064	3.8
65.03925	3.1
67.05511	26.1
69.03440	3.2
69.07075	21.2
70.66351	5.9
79.05505	18.8
81.07060	57.9
83.04993	20.2
83.08636	13.2
84.48942	2.6
91.05477	24.5
93.07051	44.0
95.04957	10.5
95.08615	72.2
97.10159	6.6
105.07040	69.7
107.07882	4.7
107.08599	76.4
109.06515	6.5
109.09479	3.7
109.10169	40.7
111.08091	8.2
111.11757	3.8
117.07038	15.5
119.08586	100.0
121.10147	52.5
123.08022	5.9
123.10950	2.7
123.11659	15.4
123.62818	2.8
125.09637	11.0
129.07079	4.2
130.07826	5.7
131.08545	36.4
133.10146	54.9
135.08101	3.9
135.11713	27.6
137.09534	3.3
137.13235	5.2
143.08565	15.3
144.09358	3.8
145.10132	61.0
146.10968	3.0
147.11691	38.4
149.09616	5.0
149.13269	15.8
149.89224	3.5
151.11185	7.2
157.10159	16.2
159.08119	3.3
159.11691	58.0
161.13254	35.9
163.11133	7.7
163.14790	19.4
165.12834	5.0
171.11708	10.1
173.13263	30.8
175.14851	32.5
177.12854	3.2
177.16440	24.2
183.11699	3.7
185.13203	8.7
187.14835	54.3
189.16405	75.4
191.14311	13.5
191.17926	14.6
193.15916	3.4
199.14886	14.6
201.16391	86.9
203.14287	4.0
203.17969	36.9
205.15825	15.0
207.17465	4.7
211.14774	3.5
213.16422	23.3
215.17976	35.1
217.15884	22.6
217.19479	10.9
219.17458	40.1
225.16434	4.0
227.17996	6.9
229.19600	3.5
231.17511	5.7
233.19022	7.8
235.16946	18.7
239.17966	6.4
241.19505	12.4
243.21016	8.4
247.16899	8.1
248.92946	3.0
249.18459	5.8
255.21182	6.6
259.20538	3.4
261.18594	19.9
267.21078	7.4
287.00180	2.9
333.25562	3.3
351.27042	4.1
389.32050	13.3
395.29822	3.6
407.33115	62.3
409.34659	5.9
423.33054	3.9
425.33954	3.3
435.32697	18.4
453.33716	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.6
63.09244	4.5
67.05502	32.9
69.07076	26.9
69.38000	29.4
78.90556	4.1
79.05489	21.7
81.07059	73.4
83.04984	24.8
83.08608	11.1
91.05463	30.2
93.07038	67.4
95.08609	81.9
97.10217	7.9
101.67704	4.0
105.07034	79.9
107.08603	91.8
109.06514	8.1
109.10163	47.5
111.08040	10.7
114.21840	4.0
117.07030	14.3
117.31825	4.0
119.07808	8.3
119.08591	100.0
121.10152	67.2
123.08045	6.2
123.11742	20.9
129.07001	6.6
130.07745	5.3
131.08540	38.1
133.10136	76.3
135.11696	36.7
143.08528	21.5
144.09404	9.0
145.10127	75.9
147.11708	34.9
149.13239	15.9
151.11183	7.8
153.09042	4.5
157.10112	14.1
159.11693	58.9
161.13237	33.6
163.11192	7.3
163.14818	19.4
171.11641	17.0
173.13268	34.1
175.14824	37.2
177.16400	31.3
185.13245	7.7
187.14835	55.7
188.15167	5.6
189.16360	63.7
191.14261	23.8
191.17969	17.4
199.14850	19.1
201.16396	89.7
203.17953	19.5
205.15875	32.7
207.17564	5.5
211.14862	5.0
213.16399	37.1
215.17967	38.2
217.15901	11.9
217.19511	8.8
219.17465	59.2
227.17810	6.1
229.19502	5.4
231.17447	8.8
233.19150	7.1
235.16936	24.8
241.19537	10.5
243.21123	9.5
247.16966	14.4
255.21152	9.3
261.18466	8.7
267.21127	16.7
326.05841	4.6
389.32114	11.7
407.33118	86.7
435.32541	17.9
453.33664	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07683	5.1
55.05510	13.4
57.07076	6.9
67.05492	20.1
69.03416	7.7
69.07059	18.8
70.94225	10.1
79.05502	25.2
81.07057	49.2
82.43383	4.6
83.04986	29.2
83.08625	9.2
85.12782	4.9
91.05481	33.6
93.07046	59.1
95.04953	7.5
95.08609	82.7
97.10164	6.8
102.89542	4.7
105.07040	74.6
107.08598	70.1
109.06559	6.1
109.10150	55.5
111.08096	8.0
112.20238	4.9
117.07011	10.2
117.92806	4.8
119.08590	100.0
121.10144	58.0
123.08046	5.0
123.11679	17.7
125.09596	7.5
129.07025	6.1
131.08586	41.9
133.10146	76.8
135.11723	29.1
143.08549	16.1
145.10144	69.3
145.74571	4.9
147.11658	25.7
149.09619	6.1
149.13272	14.6
151.11118	7.3
156.09317	5.8
157.10147	14.8
159.11705	69.4
161.13264	31.9
163.11122	6.4
163.14818	19.6
171.11642	9.8
173.13254	45.5
175.14821	39.3
177.16362	18.2
185.13243	7.2
187.14812	64.5
189.16364	69.7
191.14238	19.4
191.17964	14.9
199.14835	18.1
201.16379	83.7
203.17967	29.7
205.15884	32.5
211.14952	5.9
213.16383	29.6
215.17911	43.5
217.15858	15.7
217.19533	12.0
219.17435	45.3
227.18117	6.7
231.17445	11.7
235.16911	13.7
241.19354	7.5
243.21016	7.5
247.16960	9.2
255.21147	8.2
261.18530	8.3
267.21072	8.9
389.31955	15.0
407.33167	73.0
409.34689	8.8
435.32507	20.6
453.33670	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91985	3.0
53.03948	3.5
53.74123	3.4
55.01854	3.0
55.05505	13.9
57.07069	8.6
59.05012	3.0
60.92971	3.3
67.05512	27.1
69.07059	14.2
79.05500	18.8
81.07056	57.6
83.04977	12.2
83.08612	14.5
84.22327	3.3
88.18307	2.9
91.05491	31.4
93.07056	43.5
95.04964	9.1
95.08625	57.6
99.85345	3.7
105.07034	59.7
107.08605	65.1
109.06556	8.5
109.10162	37.6
111.08100	9.3
117.07049	7.3
119.08597	51.1
121.10154	57.3
123.11689	18.6
125.09631	7.9
129.07014	6.6
131.08589	26.6
133.10138	54.7
135.11694	28.0
137.09558	3.4
137.13324	3.6
143.08574	13.7
145.10146	39.6
147.11700	28.5
149.09570	5.4
149.13264	15.6
151.11209	9.4
157.10124	8.6
158.64539	3.2
159.11700	35.9
161.13301	16.1
163.14844	8.7
165.12709	5.3
171.11685	9.5
172.12517	6.6
173.13277	26.7
175.14812	33.1
177.16399	20.3
183.11685	4.2
185.13271	7.7
187.14857	27.3
189.16382	20.4
191.14380	5.0
193.12187	4.8
193.15932	9.1
197.13242	5.0
199.14774	19.2
201.16406	34.7
201.24324	3.1
203.17973	13.1
205.15880	8.8
211.13161	4.0
213.16348	36.1
214.17105	8.2
215.17935	31.0
217.15887	4.0
217.19516	5.8
219.17451	9.0
229.19389	3.6
241.19482	9.1
255.21082	9.6
265.08478	3.5
267.21124	10.2
389.32071	6.4
407.33148	100.0
435.32739	7.8
453.28458	5.3
453.34579	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03945	2.1
55.01873	2.8
55.05514	19.3
57.07086	4.6
67.05511	33.2
69.07069	20.4
70.01585	1.7
71.05002	2.1
71.48933	2.3
79.05500	26.0
81.03422	6.1
81.07063	45.6
83.04998	4.5
83.08635	12.1
85.06544	3.5
91.05480	30.5
93.07050	34.4
94.88579	1.8
95.04986	7.8
95.08612	51.3
95.09182	3.7
97.06559	2.6
97.10181	7.3
103.05460	1.9
105.07030	47.2
107.04941	2.5
107.08600	57.4
107.09313	3.1
109.06535	5.4
109.10168	29.8
111.08086	5.7
117.07031	9.9
119.08586	100.0
121.06512	3.1
121.10152	43.6
122.50424	1.9
123.08094	4.4
123.11724	13.8
125.09655	2.6
128.06200	2.4
129.06998	4.4
130.07776	3.3
131.08563	26.3
133.10132	54.8
133.11101	3.6
135.08078	7.9
135.11687	17.1
141.07033	2.4
142.07820	3.7
143.08598	8.1
144.09349	2.8
145.10126	68.7
147.08015	2.8
147.11696	30.2
149.09637	5.1
149.13268	11.9
151.11201	5.2
156.09372	1.9
157.10112	11.8
158.10904	3.0
159.08151	2.2
159.11688	54.0
160.12415	2.6
161.09639	2.9
161.13268	22.7
163.07568	5.6
163.11188	13.2
163.14825	12.5
165.09148	3.3
165.12866	2.6
169.10207	3.9
171.11687	13.2
173.02422	3.2
173.13283	32.4
175.11217	4.4
175.14842	22.2
177.12772	3.6
177.16364	14.3
179.14392	2.6
183.11758	5.0
185.13326	8.1
187.13249	2.9
187.14815	54.8
189.16397	59.5
191.14349	4.7
191.18047	3.7
193.12300	5.4
193.15878	2.7
197.13292	4.6
199.03865	1.9
199.14824	10.4
201.16394	77.4
203.14394	5.1
203.17967	19.0
205.15903	45.2
205.19408	1.9
207.17529	6.8
211.13232	4.0
211.14975	4.5
213.16406	12.6
215.14403	3.4
215.17963	10.0
217.15919	3.0
219.17441	8.9
227.17995	4.2
229.15918	4.7
229.19537	4.4
231.17482	3.3
233.15477	3.1
241.19635	3.5
242.75601	2.0
245.15363	2.1
247.16913	9.0
253.19525	3.1
255.21095	2.8
267.21030	2.7
291.19781	2.2
389.32019	8.8
407.33060	69.6
408.33307	2.9
417.31711	2.9
425.34265	4.7
435.32675	16.1
453.01172	4.1
453.23746	3.1
453.28891	5.4
453.33826	79.8
454.33932	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58228	3.4
53.03954	5.1
55.01866	7.9
55.05513	23.3
56.06099	3.4
57.07079	6.2
62.83131	3.2
65.03904	3.5
67.05503	34.1
69.03425	7.4
69.07076	48.4
69.39941	7.0
69.40336	25.5
71.04999	3.9
78.02553	3.9
79.05493	30.5
80.05839	4.5
81.03421	5.9
81.07056	57.0
83.05003	17.6
83.08609	11.7
85.02926	6.6
89.03915	9.3
91.05487	33.9
93.07052	41.6
95.04953	12.6
95.08613	52.9
97.02902	5.5
97.06523	32.5
98.06859	9.6
100.11267	6.2
105.07030	64.4
107.04952	10.1
107.08593	64.1
109.06527	8.2
109.10161	48.7
111.08101	7.5
117.03374	9.0
117.07027	12.1
118.03686	5.7
119.08583	83.2
121.06535	4.4
121.10154	53.2
121.98697	3.9
123.08074	6.7
123.11733	16.8
125.09605	10.2
129.06990	8.0
130.06535	4.8
131.08565	30.8
133.10133	60.8
134.03656	4.2
135.04460	28.0
135.08031	4.7
135.11702	16.2
136.04741	8.4
137.09605	7.6
143.08577	11.0
144.08083	26.6
145.02863	18.3
145.10132	58.8
146.03185	10.1
147.11662	33.4
149.09596	5.3
149.13249	16.4
151.11214	5.9
156.08107	5.6
157.10110	13.9
158.10904	6.2
159.11688	44.0
161.09592	4.5
161.13271	25.7
163.03909	100.0
163.11156	10.1
163.14832	11.8
164.04242	59.3
165.04456	34.8
169.10097	5.9
170.09644	15.1
170.10907	4.0
171.11700	10.6
173.13284	21.1
175.11345	4.0
175.14842	35.1
177.12794	4.8
177.16403	23.0
183.11713	5.0
184.76550	3.7
185.13390	6.5
187.14825	52.9
189.16399	46.6
191.14334	4.2
191.17998	5.2
193.12256	7.8
199.14749	8.3
201.12776	3.9
201.16428	66.4
203.17978	31.3
205.15855	30.6
207.17355	4.1
211.13310	4.4
213.16348	23.2
215.17973	16.5
217.16032	6.9
217.19513	7.8
219.17451	10.9
227.17969	6.1
241.19707	6.6
243.20996	4.1
245.19051	4.1
253.74049	4.0
253.92317	3.6
259.09695	62.9
260.10004	49.3
261.10248	81.1
267.21088	5.2
304.80487	3.7
389.32355	8.2
407.33322	24.8
409.34476	9.7
435.22827	41.2
435.32678	11.3
436.23074	4.2
453.00867	13.4
453.15460	9.6
453.24341	11.6
453.34195	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	453.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58228	3.4
53.03954	5.1
55.01866	7.9
55.05513	23.3
56.06099	3.4
57.07079	6.2
62.83131	3.2
65.03904	3.5
67.05503	34.1
69.03425	7.4
69.07076	48.4
69.39941	7.0
69.40336	25.5
71.04999	3.9
78.02553	3.9
79.05493	30.5
80.05839	4.5
81.03421	5.9
81.07056	57.0
83.05003	17.6
83.08609	11.7
85.02926	6.6
89.03915	9.3
91.05487	33.9
93.07052	41.6
95.04953	12.6
95.08613	52.9
97.02902	5.5
97.06523	32.5
98.06859	9.6
100.11267	6.2
105.07030	64.4
107.04952	10.1
107.08593	64.1
109.06527	8.2
109.10161	48.7
111.08101	7.5
117.03374	9.0
117.07027	12.1
118.03686	5.7
119.08583	83.2
121.06535	4.4
121.10154	53.2
121.98697	3.9
123.08074	6.7
123.11733	16.8
125.09605	10.2
129.06990	8.0
130.06535	4.8
131.08565	30.8
133.10133	60.8
134.03656	4.2
135.04460	28.0
135.08031	4.7
135.11702	16.2
136.04741	8.4
137.09605	7.6
143.08577	11.0
144.08083	26.6
145.02863	18.3
145.10132	58.8
146.03185	10.1
147.11662	33.4
149.09596	5.3
149.13249	16.4
151.11214	5.9
156.08107	5.6
157.10110	13.9
158.10904	6.2
159.11688	44.0
161.09592	4.5
161.13271	25.7
163.03909	100.0
163.11156	10.1
163.14832	11.8
164.04242	59.3
165.04456	34.8
169.10097	5.9
170.09644	15.1
170.10907	4.0
171.11700	10.6
173.13284	21.1
175.11345	4.0
175.14842	35.1
177.12794	4.8
177.16403	23.0
183.11713	5.0
184.76550	3.7
185.13390	6.5
187.14825	52.9
189.16399	46.6
191.14334	4.2
191.17998	5.2
193.12256	7.8
199.14749	8.3
201.12776	3.9
201.16428	66.4
203.17978	31.3
205.15855	30.6
207.17355	4.1
211.13310	4.4
213.16348	23.2
215.17973	16.5
217.16032	6.9
217.19513	7.8
219.17451	10.9
227.17969	6.1
241.19707	6.6
243.20996	4.1
245.19051	4.1
253.74049	4.0
253.92317	3.6
259.09695	62.9
260.10004	49.3
261.10248	81.1
267.21088	5.2
304.80487	3.7
389.32355	8.2
407.33322	24.8
409.34476	9.7
435.22827	41.2
435.32678	11.3
436.23074	4.2
453.00867	13.4
453.15460	9.6
453.24341	11.6
453.34195	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	453.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11461	1.0
55.26629	1.0
56.43053	1.0
56.96568	70.5
70.93640	1.1
71.48576	1.8
71.95275	2.4
74.97604	1.2
76.44825	1.2
84.96040	3.7
85.02914	2.7
89.03920	6.4
94.80319	1.0
97.02889	1.4
98.97591	21.2
100.62540	1.0
101.00875	1.8
103.86016	1.2
110.97592	1.3
112.99117	7.4
113.00881	1.7
115.00632	1.4
116.98611	5.7
117.03373	3.5
119.01925	3.7
121.02847	1.2
123.01228	1.4
124.99133	16.6
127.00672	2.9
127.02434	1.4
128.98636	2.0
131.00150	5.4
131.01884	2.3
133.03499	1.5
135.04436	8.3
139.00705	3.4
139.02481	1.1
140.47879	1.1
140.98529	1.3
141.02234	14.7
143.00169	24.3
143.01933	3.4
145.01758	2.1
145.02882	5.2
148.99089	1.2
149.01257	1.7
151.00679	3.3
152.98544	1.3
155.01923	3.4
157.01801	3.3
159.03336	10.2
159.05040	2.0
161.01245	12.2
161.02985	3.2
162.58681	1.1
163.03900	40.4
164.04262	3.0
167.00191	7.0
167.01730	1.2
168.98093	2.7
169.01749	11.3
169.03169	1.6
170.99677	4.7
171.05132	2.6
173.02974	3.3
175.00687	13.4
176.98633	1.8
177.04288	1.1
179.35507	1.1
182.20135	1.0
185.01291	16.8
185.02977	3.1
186.99146	3.0
187.02777	14.0
187.04329	1.9
189.00780	2.6
189.06088	1.8
191.00232	7.3
193.01762	15.8
194.99675	8.9
195.01323	2.4
197.02972	1.7
200.98616	2.8
201.06149	1.2
203.02307	23.1
203.04048	2.8
204.98186	1.5
205.00345	1.6
205.03862	2.7
206.99680	3.3
209.01184	9.8
211.02769	10.8
211.04549	1.7
213.00717	16.3
213.02690	1.5
215.04012	1.3
218.99609	14.0
219.01498	1.1
221.03250	5.0
221.05116	2.6
225.00677	2.2
227.02272	2.3
229.03804	1.7
231.01784	27.2
231.03920	1.8
237.00684	33.3
237.03020	1.7
240.98376	1.2
245.05141	6.6
247.06628	1.4
249.02809	19.5
254.03273	1.5
255.01778	100.0
256.02185	1.8
267.03964	2.0
273.02820	78.9
274.03101	1.5
275.06256	2.2
278.03400	2.2
279.09299	4.4
291.03738	1.3
294.96603	1.0
305.03345	3.0
305.06973	1.2
323.04428	9.9
323.07809	1.6
331.04810	3.4
333.02643	1.2
347.04395	2.1
349.02155	3.4
349.05997	4.5
353.78961	1.2
357.02911	2.1
361.06210	1.1
365.05301	5.4
367.03366	7.6
367.07343	2.4
371.00983	1.3
375.03857	8.7
383.06400	1.7
385.04498	1.4
393.04929	28.0
394.05295	1.2
411.05997	48.4
412.06058	1.8
429.07080	27.2
434.07800	1.6
435.13431	1.5
436.42093	1.1
453.00958	1.9
453.07068	9.8
453.12820	1.4
471.08307	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	64.9
57.24961	0.9
58.81579	0.8
59.38414	0.8
60.01622	1.0
63.74357	0.9
66.37698	1.0
70.05025	3.6
71.95280	0.9
74.97625	1.3
84.96021	4.1
89.03914	1.9
97.10740	0.9
97.59243	0.9
98.97581	16.2
101.00842	1.0
105.00148	0.9
110.97554	2.7
112.99142	7.6
113.00882	1.5
115.00687	1.9
116.98598	2.8
117.03374	3.6
119.01865	1.1
123.01219	1.1
124.99121	19.1
127.00686	1.7
128.98592	2.4
131.00136	5.8
131.01895	1.3
135.03540	0.9
135.04370	5.6
138.29820	0.9
139.00667	2.9
141.02237	14.0
143.00169	22.6
143.01836	1.9
144.98036	1.1
145.02852	2.8
148.47357	1.2
148.99107	1.8
149.01245	1.4
151.00635	2.9
152.98645	1.6
155.01950	1.1
157.01735	1.6
159.03275	9.1
159.05020	1.0
161.01210	7.7
163.00641	1.2
163.03893	16.4
167.00180	6.3
168.98135	2.5
169.01741	8.2
170.99602	4.6
171.05055	2.0
173.02960	1.4
175.00674	14.1
176.98595	1.5
185.01241	15.6
186.99146	2.2
187.02823	10.0
189.00740	4.3
189.06110	1.1
191.00122	8.1
193.01733	15.0
194.99692	8.5
200.98680	2.0
203.02274	16.0
203.04050	1.7
204.98254	1.1
205.00246	2.0
205.03807	2.1
206.99652	3.2
209.01202	7.1
211.02751	9.6
213.00713	17.4
218.99635	15.1
219.01607	1.7
221.03281	3.7
221.05064	2.0
225.00641	2.3
229.03790	1.7
231.01765	27.8
237.00691	35.9
249.00487	1.6
249.02844	16.1
255.01772	100.0
261.08243	2.1
267.03732	2.1
273.02817	68.3
274.03064	1.1
279.09195	7.6
291.03662	1.9
297.02914	1.3
305.03146	2.0
307.04813	1.5
311.04257	1.5
323.04321	7.5
331.04843	3.3
341.05328	2.1
347.04352	2.9
349.02194	3.5
349.06012	4.3
357.02823	2.1
365.05338	6.0
367.03256	7.8
367.07175	1.4
375.03931	9.8
385.04324	1.5
393.04904	24.9
411.06021	50.5
412.06168	2.4
429.07098	24.8
435.13327	2.8
453.07040	10.8
471.07797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.2
57.06834	2.6
57.07080	30.3
62.54047	1.5
67.05502	5.4
69.07064	8.5
71.08640	19.1
71.41940	3.7
78.38307	1.4
81.07050	11.6
83.08618	5.0
84.72359	1.9
85.10183	6.7
89.06030	3.2
90.21943	1.8
91.05482	2.1
95.08605	9.5
97.10184	3.0
105.03410	16.9
109.10149	5.7
111.11728	2.4
115.05437	2.4
128.06265	4.2
129.06999	6.2
130.56363	1.6
131.08565	10.0
133.02856	4.7
137.13252	2.0
138.75931	1.5
141.06990	4.6
143.08566	4.6
145.06436	1.9
147.04410	3.1
153.07033	5.8
155.08591	5.3
157.06493	8.3
157.10121	3.0
159.04378	3.7
159.08070	11.3
161.06018	3.8
165.07072	3.8
166.07739	2.6
167.08609	3.1
171.08073	20.7
173.06032	2.3
179.08472	2.3
181.06528	4.6
181.10100	5.5
183.08069	4.0
184.05061	1.6
185.09622	20.9
187.07555	100.0
189.84283	1.6
193.10149	2.7
195.08067	5.4
195.11739	2.8
196.08870	2.8
197.09682	15.0
198.06718	3.9
199.07527	13.8
199.11264	3.6
208.08902	4.7
209.09581	8.5
211.07364	2.4
211.11171	8.1
212.08302	2.5
213.09114	11.0
222.10448	1.8
223.11172	9.1
225.09175	4.2
225.12758	6.5
226.09879	3.1
227.10670	12.3
237.12807	4.9
239.14421	2.0
240.11693	1.7
241.12343	8.9
255.13701	3.4
325.21613	2.3
339.23227	1.6
433.34518	3.7
451.35794	48.9
452.36029	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	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.13686	3.0
53.82709	2.9
54.77687	4.1
55.01864	4.7
55.05510	23.6
57.07067	14.2
57.10789	3.0
57.86290	2.9
67.05506	40.7
69.03413	4.4
69.07079	27.6
71.04975	10.3
74.79229	3.3
79.05488	31.7
81.03416	3.6
81.06599	4.0
81.07060	79.0
82.98962	6.3
83.04983	49.5
83.08631	15.8
85.06536	4.2
87.06666	3.3
91.05481	39.5
93.07050	55.4
95.04945	9.5
95.08006	3.8
95.08605	62.1
95.32591	3.3
96.06566	2.9
97.06548	5.8
97.10168	4.1
98.39995	3.2
105.07035	77.0
106.03888	3.1
106.40689	3.1
107.08596	81.8
109.02843	3.6
109.06513	10.7
109.10162	36.9
111.08085	10.2
112.50267	3.3
117.01032	14.1
117.07013	10.8
119.08585	100.0
121.10144	52.6
123.08038	6.7
123.11716	17.7
125.09622	6.9
128.06244	5.3
129.06975	13.4
130.07846	3.3
131.08551	33.9
133.10120	50.0
135.11703	18.9
135.47977	3.1
137.09610	7.8
137.13292	4.6
141.06985	5.4
142.07785	8.3
143.08562	24.1
144.09351	5.0
145.10120	65.0
147.02043	3.5
147.11693	43.3
149.13307	19.5
151.11177	3.9
155.08546	7.8
156.09315	7.7
157.10117	33.9
159.11699	30.8
161.09674	5.8
161.13248	22.3
163.11232	8.9
163.14821	24.2
165.03152	6.8
165.12778	16.5
167.08514	3.4
169.10156	14.1
170.10869	5.3
171.11687	31.3
172.12396	3.9
173.13274	38.1
175.01614	30.8
175.14813	48.7
177.16402	13.9
181.02608	3.9
183.11705	9.4
185.13271	16.4
187.13222	6.7
187.14799	45.4
189.16399	21.8
191.14247	5.5
193.15929	4.0
195.11676	5.4
197.13293	10.6
199.14824	29.8
201.16376	33.9
203.17934	7.1
203.52496	3.7
205.15837	7.7
211.14801	12.3
213.16402	32.0
215.17845	8.2
217.15852	13.0
218.61090	2.9
221.13272	3.4
223.14949	4.5
225.16316	10.2
227.12714	5.8
227.17955	9.7
229.15898	7.0
229.19478	4.4
231.07899	3.7
231.17450	12.6
237.16457	5.2
239.17915	15.6
241.19565	48.6
243.17491	4.3
243.21082	8.7
245.15211	3.4
253.19414	15.1
255.21101	7.1
259.17120	5.1
259.20435	4.9
267.17712	3.6
267.20959	16.5
269.89993	3.5
271.24149	3.9
275.06653	5.3
281.22748	3.5
285.18539	4.1
287.20154	3.9
299.20044	6.2
331.12979	16.6
339.03510	4.5
349.25323	3.5
362.64218	3.6
387.19138	15.4
387.30444	14.7
393.28214	4.2
395.10236	22.2
405.31543	88.2
407.33093	28.8
423.32376	4.3
433.15457	7.0
433.31100	15.1
451.16742	17.7
451.26929	13.1
451.32373	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03941	7.0
55.05499	20.9
57.03421	4.7
57.07081	5.2
65.03943	4.8
67.05505	49.6
69.03416	4.5
69.07065	21.5
70.61409	10.9
70.61771	9.2
71.04984	8.0
71.58568	4.4
79.05498	37.7
81.03419	5.9
81.07056	91.2
83.04989	32.2
83.08609	15.9
85.06547	7.8
91.05476	43.7
93.07051	63.4
93.11559	4.1
95.04969	17.1
95.08607	56.9
97.06492	5.3
97.10148	5.6
105.07032	86.0
107.04945	8.2
107.08600	79.3
109.06479	8.4
109.10169	37.7
111.08096	8.6
117.07017	13.8
119.08594	87.5
121.06473	6.6
121.10139	48.6
123.08066	6.0
123.11711	18.9
125.09580	7.8
129.06969	10.8
131.08551	35.2
133.10146	62.2
135.08052	6.2
135.11653	18.5
137.09625	10.7
142.07793	7.3
143.08563	17.1
145.10141	69.7
147.11728	29.8
149.13234	19.4
151.11198	7.4
155.08530	7.1
156.09381	6.4
157.10129	33.9
158.10970	5.6
159.11684	34.2
161.09608	5.1
161.13242	16.3
163.11203	9.8
163.14806	28.7
165.12753	9.5
169.10141	18.2
170.10893	11.4
171.11687	26.5
173.13257	40.1
175.14853	48.7
177.16408	12.2
183.11638	17.9
185.13271	16.5
187.14778	45.6
189.16333	19.2
197.13237	13.2
199.14825	35.2
201.16331	34.6
203.14305	5.2
203.17885	11.3
205.15912	5.6
211.14835	9.3
213.16414	33.6
215.14290	6.8
215.17879	12.8
217.15904	12.7
225.16342	7.0
227.17981	13.0
229.15857	10.7
231.17455	7.9
239.18047	8.5
241.19485	46.0
243.17500	6.0
243.21140	8.4
247.16963	6.7
252.09506	4.9
253.19386	7.1
255.21109	7.3
267.21024	12.0
313.21780	6.4
349.25485	7.1
387.30478	13.1
389.32202	8.4
405.26639	8.1
405.31494	100.0
407.33270	22.6
421.30972	8.7
433.31030	20.3
451.26849	19.0
451.31967	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	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03944	3.5
55.05507	19.5
56.48126	2.4
57.03421	2.7
57.07062	4.3
60.46666	2.7
62.34064	2.2
67.05509	26.4
69.07063	13.0
71.50475	2.7
79.05499	22.9
81.07056	64.6
83.04972	14.3
83.08624	10.9
84.93971	2.7
85.06538	3.0
90.74650	2.3
91.05472	38.0
93.07040	50.9
95.04941	6.0
95.08612	64.9
97.06559	4.8
99.08098	3.8
105.07029	73.7
107.08591	77.6
109.06522	11.5
109.10147	38.7
111.08073	7.6
117.07019	12.2
119.08579	100.0
121.10143	59.6
121.10948	5.1
123.08071	4.7
123.11710	27.5
123.63005	2.6
125.09616	9.9
128.06190	5.9
129.07028	7.3
131.08563	43.8
132.49025	2.5
133.10133	67.1
135.11713	24.3
137.09671	5.4
137.13248	2.9
141.06903	3.5
142.07799	9.3
143.08572	21.5
144.09338	4.9
145.10124	71.7
147.11685	31.4
149.13275	9.2
151.11198	12.0
155.08539	10.4
156.09306	6.1
157.10129	39.6
158.10892	4.2
159.10481	4.5
159.11703	57.5
161.09627	4.2
161.13284	22.8
163.07561	5.4
163.11203	2.6
163.14832	10.6
168.05647	3.3
169.10112	11.7
170.10864	4.6
171.11684	31.9
173.13278	41.3
175.14853	33.4
177.16394	9.2
181.10123	3.6
183.11719	11.8
184.12450	3.5
185.13301	24.7
187.14816	52.9
189.16298	15.4
191.14331	9.0
193.15909	3.9
195.11652	3.3
197.13217	18.3
199.14822	49.4
201.16386	51.8
203.18237	3.7
205.15894	28.6
207.17535	2.9
209.13264	9.2
211.14777	13.9
213.16370	49.0
215.14325	3.3
215.17918	7.5
217.15833	6.6
219.13782	5.6
219.17422	9.2
223.14888	5.2
225.16400	7.4
227.17909	6.4
229.15952	4.5
229.19493	5.5
231.17477	8.3
233.15402	6.0
237.16360	4.9
239.17960	8.3
241.15984	3.1
241.19492	11.6
245.15428	13.2
251.18050	3.1
253.19550	11.7
255.21043	8.1
258.16351	3.2
259.16946	9.4
259.20377	2.9
265.19577	7.6
267.21078	7.1
279.20999	4.9
281.22601	5.2
283.20401	3.9
291.99988	2.7
293.22501	3.1
299.20267	3.7
317.22543	3.1
343.97314	3.7
377.31924	4.2
387.30374	8.9
405.31528	89.1
406.31802	4.1
407.33066	18.7
421.30972	4.2
433.31052	25.0
451.26755	6.3
451.32162	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02952	2.5
53.03941	4.0
55.05505	18.5
57.03424	4.0
57.07066	4.3
60.69736	2.7
67.05503	28.1
69.07063	20.5
71.04971	3.0
79.05159	2.5
79.05507	28.8
79.48026	2.5
81.03416	4.4
81.06601	3.3
81.07064	61.1
83.04990	28.8
83.08622	12.9
85.02895	3.0
85.06566	3.0
87.96918	2.6
91.05489	40.4
93.07047	52.8
94.05673	2.5
95.04959	8.8
95.08617	52.4
97.06523	10.0
97.10165	3.3
103.60583	2.7
105.07034	71.6
107.08597	78.4
109.06499	7.5
109.10167	32.8
111.08056	9.4
117.07024	14.6
119.08586	100.0
121.10140	41.3
123.08042	6.8
123.11697	19.5
125.09636	7.2
128.06233	3.0
129.06996	8.1
131.08572	30.2
133.10138	47.2
135.08046	5.1
135.11685	17.1
137.09619	10.0
137.13272	5.4
141.07010	4.8
142.07741	6.2
143.08626	20.1
144.08131	3.1
145.10126	60.9
147.11696	39.4
149.09650	3.9
149.13243	18.6
151.11150	3.8
151.92175	2.6
155.08543	7.4
156.09308	6.1
157.10135	30.9
159.08069	3.5
159.11699	34.7
161.09653	5.2
161.13280	17.2
163.03955	4.1
163.11159	4.4
163.14839	20.6
165.12801	5.4
169.10123	15.0
171.11691	30.7
173.00301	2.7
173.09644	3.1
173.13293	33.6
175.11185	4.9
175.14856	42.7
177.16382	10.4
181.10185	3.5
183.11693	8.7
185.13264	14.9
187.14819	48.9
189.16362	28.5
191.14284	5.3
195.11716	4.6
197.13249	11.8
199.14839	27.3
200.15646	2.8
201.16397	39.6
203.14302	6.1
203.17892	12.5
205.15884	12.6
209.13243	4.1
211.14758	12.1
212.15584	3.0
213.16376	24.8
215.14288	4.2
215.17894	13.7
217.15903	12.0
223.14821	4.1
225.16379	8.4
227.17975	9.9
228.93365	3.3
229.15866	6.2
229.19525	4.3
231.17439	7.8
237.16255	4.2
239.17924	10.6
241.19536	32.4
243.17424	3.8
243.21089	10.6
245.15446	6.0
247.16994	3.0
253.19531	10.3
255.17409	3.6
255.21092	6.3
259.09793	4.2
259.16891	5.0
259.20471	3.4
265.19495	3.2
267.21063	8.2
279.20999	5.2
293.22186	4.0
341.24588	4.1
349.25165	3.4
367.26370	3.3
387.30392	11.4
393.27682	6.3
405.31555	80.0
407.33237	22.2
421.30811	4.6
433.31192	15.0
451.26807	7.6
451.32117	65.9
452.32339	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	451.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
67.05492	2.0
69.07072	18.3
71.34765	1.1
71.56818	1.0
79.05493	5.3
81.07068	1.8
83.04956	1.4
89.03927	5.7
95.04984	1.3
95.08607	1.0
95.42961	0.9
96.96964	1.2
97.06525	21.5
98.54500	1.1
105.07084	1.1
107.04946	1.8
107.62591	0.9
117.03389	8.6
119.08568	1.0
134.03609	4.1
135.04404	15.3
145.02849	12.6
161.02345	2.1
163.03908	100.0
191.03409	1.6
204.04807	2.2
217.05045	2.4
241.08606	1.3
248.66989	1.1
259.09671	91.6
260.09967	1.6
266.05573	1.0
344.52072	1.3
389.09201	1.2
395.38354	1.0
423.14081	1.3
447.72775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.7
67.05491	2.3
69.07076	12.8
79.05495	9.6
81.28699	1.2
89.03896	6.8
91.05463	1.8
95.04989	1.7
97.06536	57.2
98.20775	3.8
99.97311	1.2
103.62271	1.2
105.07036	2.0
107.04941	2.8
108.92605	1.5
117.03379	8.0
123.95515	1.3
133.02806	1.7
134.03645	4.0
135.04419	10.6
135.29465	1.1
145.02852	10.5
161.02362	7.7
163.03914	70.5
173.02359	13.8
212.47125	1.3
215.07043	20.0
259.09671	100.0
260.10159	1.7
312.09384	1.3
451.32651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13523	2.2
59.68295	2.0
67.05499	9.6
69.03440	3.3
69.07066	3.3
69.42332	16.1
79.05495	3.9
83.04978	4.9
85.02921	4.6
95.04980	22.6
97.06547	18.6
111.04493	2.7
115.05495	2.0
117.03412	2.6
121.02876	2.4
123.04411	2.6
129.07054	2.8
139.03888	3.5
141.07013	4.6
142.07811	2.8
143.08664	2.5
145.02878	2.5
145.06595	2.6
147.04411	2.2
149.05901	2.1
153.01877	2.8
157.04903	2.3
157.06609	2.4
157.10208	2.5
160.05222	11.2
161.02396	3.5
161.06006	36.1
163.03941	15.9
165.05525	4.6
167.08609	11.2
169.06488	2.5
171.08052	2.5
173.02354	4.2
173.06071	3.7
175.03882	2.2
175.07590	5.3
185.05978	3.0
185.09650	2.6
187.07610	5.0
189.05481	3.9
189.09135	48.0
195.08034	17.1
198.06804	2.6
201.05536	3.8
203.10780	2.7
209.04323	2.8
213.09152	22.8
215.07021	34.9
215.10500	2.3
217.08646	9.2
231.10211	9.0
236.44138	2.0
241.08646	9.1
249.11227	3.6
259.09683	100.0
277.10803	11.3
287.05560	12.1
288.05933	16.9
289.06088	30.9
298.27606	2.6
392.76340	2.1
424.96033	2.6
433.15164	3.2
437.04419	2.1
451.15979	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	450.249
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64383	4.5
67.05495	3.9
71.05034	3.6
71.33482	6.4
72.55895	4.9
81.07080	6.4
88.51448	4.0
91.05486	5.2
138.06761	12.6
148.05246	6.8
149.02330	5.3
154.06252	16.1
162.04884	3.5
166.06277	9.1
169.08632	25.6
173.09618	15.9
181.08601	47.3
193.05002	5.0
195.10190	13.3
197.08105	14.1
201.09088	15.2
209.11719	9.1
216.11470	64.7
216.13367	5.5
217.08554	9.8
232.11000	13.5
247.13306	100.0
251.91782	4.1
258.01187	5.4
265.14328	28.3
364.21286	4.1
425.77930	4.3
450.32019	8.6
468.42935	4.5
477.23947	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
58.93919	0.2
68.99759	0.3
70.46582	0.5
70.89859	0.2
79.01848	0.3
89.69062	0.2
94.91142	0.2
103.31207	0.2
111.00774	0.2
115.05448	0.2
121.02847	0.2
123.04408	0.3
137.02354	2.5
137.03371	0.2
141.06972	0.3
143.04948	0.3
147.04419	0.3
149.02332	0.4
150.03094	0.3
153.01819	2.3
157.06442	0.3
161.05936	0.4
165.01872	0.3
167.04929	0.2
171.04457	0.2
175.03906	0.3
185.05971	0.7
189.05492	0.3
196.66759	0.2
203.07184	0.2
213.05432	2.4
216.04042	0.2
217.04935	0.2
231.06531	0.7
241.04955	1.1
242.05777	0.2
269.04404	0.4
287.05490	100.0
288.05811	2.1
315.98120	0.2
383.12476	0.2
449.10721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01867	0.9
55.05510	7.8
55.36219	0.7
57.03422	1.5
57.07080	22.7
65.03944	7.5
67.05512	7.6
69.07057	1.9
71.04991	3.4
74.47351	0.7
79.05499	5.5
81.03414	2.1
81.07047	7.1
83.04981	63.7
83.08620	1.3
85.02900	1.7
85.06553	1.4
91.05491	9.0
93.07039	6.4
95.04966	3.0
95.08604	3.1
97.06511	1.0
97.10169	1.0
98.98471	5.9
105.07025	5.0
107.04954	1.5
107.08593	3.7
109.06546	0.8
109.10143	1.1
115.05497	1.4
117.07031	2.5
119.08563	4.3
121.06526	1.1
121.10165	1.7
128.06187	1.8
129.07008	3.9
131.08572	3.3
133.00507	1.6
133.06502	1.2
133.10150	1.6
135.08076	0.9
135.11687	2.5
141.07013	4.0
142.07732	1.0
143.08521	1.2
145.10110	2.0
147.08040	1.4
147.11673	8.3
149.13272	1.3
151.01547	8.4
153.01843	2.9
157.10129	1.2
159.08084	2.8
159.11607	1.9
161.09647	0.8
161.13295	0.9
163.01570	5.3
163.11197	1.0
169.07639	2.0
171.11713	1.2
175.01546	7.2
181.02600	1.5
181.12215	1.1
187.01559	1.3
199.11275	1.1
209.13167	1.0
213.12773	1.0
221.03615	1.0
227.04732	3.5
254.98210	0.8
260.99319	7.4
287.05545	9.8
303.05063	3.3
337.02356	57.2
339.23141	1.1
357.24094	1.4
393.08627	100.0
394.08939	2.1
431.27597	1.3
434.11343	1.9
449.14990	12.7
449.28412	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	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.40703	0.4
51.65236	0.4
57.03437	0.5
59.91274	0.4
61.02934	5.6
63.61220	0.4
68.99797	0.6
69.03419	1.3
70.03102	1.2
70.03515	0.7
73.02905	1.4
85.02913	4.3
91.03967	2.7
97.02898	1.9
98.21550	0.5
100.57855	0.3
107.04970	0.6
109.02876	0.4
110.27653	0.4
111.00829	0.6
111.95351	0.3
115.03936	0.5
121.02863	3.7
124.58759	0.4
127.03928	0.7
133.02884	0.6
137.02374	0.8
143.17537	0.4
145.04936	0.8
153.01852	4.9
165.01877	2.1
169.11711	0.5
170.20020	0.4
183.02943	0.8
213.05446	1.6
231.06537	0.8
241.05032	0.7
258.05264	1.5
259.06223	0.6
287.05536	100.0
288.05975	2.2
299.05475	0.7
353.07291	0.5
372.15030	0.4
449.17938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Quercitrin
Peak:m/z	Relative Intensity
52.34665	1.9
56.87162	1.7
57.03429	4.0
60.56884	1.6
69.03439	1.7
69.97855	7.9
71.04999	28.4
81.34106	1.6
84.13096	1.7
85.02920	26.4
98.20907	2.3
100.99139	2.0
129.05478	5.7
137.02364	5.5
165.01811	2.1
196.47775	1.8
201.05473	2.4
229.04977	6.4
257.04425	2.6
285.03894	2.4
287.05814	2.6
303.05032	100.0
304.05310	5.2
387.68634	2.0
413.08328	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.4
56.60133	0.6
57.07070	6.4
58.06586	1.4
63.04014	0.5
64.47674	0.5
65.03937	0.7
67.05472	2.7
69.03423	0.7
69.07037	1.7
69.59811	3.9
70.06592	15.9
71.08602	2.7
74.06069	0.7
75.60323	0.6
78.38947	0.8
79.05493	3.0
81.03419	1.4
81.07051	3.2
83.04959	0.8
83.08618	0.7
85.10160	1.1
88.07116	1.3
88.07629	20.9
91.05463	3.0
92.40855	0.6
93.07021	2.6
95.08578	1.4
98.21456	0.8
102.08584	0.9
102.09183	13.3
104.02615	2.3
105.07000	1.0
107.08584	2.0
109.10114	1.0
118.04150	0.7
119.04919	2.7
121.10136	0.9
132.02069	8.2
135.11679	1.7
136.01564	7.3
146.03310	0.6
147.04419	25.7
147.11687	0.7
148.05154	2.3
149.02325	2.2
149.13258	0.8
153.01849	0.7
153.97440	0.6
175.03908	47.8
176.04625	2.9
180.04169	9.7
191.07053	2.0
193.05013	0.9
219.06523	83.2
220.06859	1.3
237.09108	0.9
256.26361	55.7
287.05530	2.4
303.05011	0.9
360.93408	0.7
448.30600	100.0
449.30533	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	448.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.5
57.07066	12.1
64.27892	4.7
69.07050	7.6
71.08633	7.3
75.96014	5.4
78.35960	5.0
81.07067	8.5
83.08621	6.0
97.10177	6.1
109.10162	9.4
111.53447	4.3
121.06505	8.3
136.08858	12.0
137.09596	13.8
137.86183	5.0
149.02391	9.7
164.08354	38.5
165.09129	100.0
234.01299	4.8
371.74265	5.4
381.18704	5.2
430.38132	68.7
448.38654	7.1
453.88855	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	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32177	4.3
58.27755	4.4
69.03447	7.1
69.07094	5.3
69.94798	4.7
71.05013	9.8
71.49889	9.5
75.04498	6.0
79.05480	12.7
81.07054	9.4
83.04972	15.3
85.02914	15.1
91.05472	7.9
93.07043	16.8
95.04951	6.4
97.06523	10.1
103.28748	5.5
105.07055	23.8
107.04953	8.3
107.08620	10.0
119.08598	7.9
121.06490	13.1
125.05974	29.9
143.07036	15.5
145.10120	31.2
153.01830	6.1
159.11681	6.8
163.11200	84.4
173.09628	19.4
177.12787	6.2
180.89505	4.8
181.20265	4.9
187.11189	18.3
191.10695	19.0
205.12228	9.9
215.10703	21.4
229.04974	6.0
233.11798	51.5
251.12730	10.3
287.05524	100.0
303.05014	48.6
304.05350	14.2
309.44611	5.7
324.81219	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	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05517	49.2
57.07080	78.7
59.09262	2.2
67.05505	5.9
69.07073	100.0
69.29154	4.8
69.29553	13.7
71.08640	49.6
79.05499	4.5
81.07053	11.7
81.69992	2.0
83.08625	64.2
85.10180	28.0
91.05467	4.4
93.07037	5.7
95.08606	9.8
97.10180	55.6
98.20753	5.2
98.53157	2.3
99.11736	6.6
105.07024	3.0
107.08614	10.0
109.10179	6.0
111.08099	3.1
111.11727	44.3
111.12448	3.5
119.08531	2.4
121.06551	4.3
121.45137	2.2
123.08085	4.0
125.13293	15.9
135.08069	12.8
137.09586	11.0
137.70377	1.9
138.06732	4.7
139.07535	25.5
139.14841	3.4
139.97321	2.4
141.71529	2.1
149.02370	19.6
149.06027	2.1
149.09625	9.6
150.53763	2.1
151.07550	16.5
153.09090	17.1
153.16327	2.1
157.99257	2.1
159.11758	3.3
163.07562	3.6
163.11176	4.1
165.09126	68.0
166.06253	3.8
167.07063	5.1
169.08649	7.7
175.11229	2.2
177.09120	9.9
179.10696	3.6
181.08607	37.1
184.21048	2.4
187.11136	2.1
191.09201	2.3
191.10733	8.2
205.12256	9.0
210.12100	2.1
289.11734	2.1
402.87003	1.9
429.37381	14.5
430.37918	4.7
447.38391	67.5
448.38620	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	447.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.6
55.01867	7.8
55.05518	28.8
57.03439	13.7
57.07064	2.5
65.03938	2.7
67.05511	72.7
69.03410	2.0
69.07072	18.4
70.02159	3.2
71.01357	4.8
71.05006	5.1
75.83625	2.0
79.05496	67.1
81.03423	98.8
81.07064	40.7
83.04992	13.9
83.08624	24.4
83.27213	1.8
85.02936	2.3
85.06522	3.2
91.04904	3.1
91.05483	50.2
93.06492	3.1
93.07056	53.1
95.04977	46.8
95.08607	16.0
97.02882	2.8
97.06541	12.4
97.10191	17.1
99.08096	2.5
103.05490	2.4
105.04536	2.6
105.07037	28.8
107.04953	12.5
107.08601	30.6
109.06528	7.1
109.10162	9.5
111.08092	10.2
115.05480	3.0
117.07040	14.3
119.08612	20.9
121.06522	11.4
121.10189	10.1
123.08061	4.2
124.64555	1.8
125.09648	9.8
128.06244	2.0
129.07018	23.4
131.04996	3.0
131.08551	18.0
133.06519	5.4
133.10139	10.5
135.08084	5.2
135.11700	41.1
137.09653	3.7
141.07011	3.4
142.07771	4.3
143.08585	7.0
145.06505	7.0
145.10152	14.9
147.08051	6.4
147.11668	9.2
149.02374	3.1
149.09642	7.4
153.12708	2.0
155.08614	3.6
157.10124	12.3
159.08124	2.0
159.11722	3.5
161.09634	3.0
163.11235	12.4
169.10117	2.9
171.07903	1.8
171.11647	3.4
175.11197	13.1
181.12265	4.4
183.11743	2.9
185.13246	4.8
187.11183	4.2
189.11272	4.7
193.12274	33.0
197.13258	2.3
201.12811	2.6
203.14372	5.3
209.13182	2.3
213.12854	2.1
225.12868	3.8
249.15002	5.9
292.29401	2.0
327.23227	2.4
329.21280	6.7
337.21698	7.4
347.21951	2.2
353.00693	2.1
355.22672	17.3
373.23819	9.7
390.72226	2.1
403.24820	7.7
429.26453	12.9
447.27469	100.0
448.27945	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	18.1
55.05515	42.6
57.03439	63.9
57.07084	16.7
66.65540	1.3
67.05504	14.6
69.07076	43.3
70.57323	3.2
71.04993	1.5
71.08628	8.9
73.02903	1.6
73.11729	1.4
75.71571	1.3
79.05491	8.8
81.03429	2.2
81.07061	16.9
83.04974	1.3
83.08624	38.0
85.10188	2.6
91.05453	2.1
93.07038	9.9
95.08621	10.7
97.06525	4.3
97.10183	24.6
98.98471	86.4
105.07076	2.2
107.08594	5.6
109.10142	4.2
111.08088	2.5
111.11730	4.5
117.06979	1.7
119.08561	1.6
121.10159	7.7
123.11709	2.5
125.09765	1.3
126.87613	1.3
129.05513	2.1
135.11705	5.5
136.99997	85.6
137.13266	1.8
149.13234	2.7
155.01056	59.9
193.02647	14.7
211.03688	15.4
215.51863	1.3
237.22130	16.3
265.04752	2.1
293.24789	2.0
311.25803	62.4
341.36151	1.6
352.97208	1.1
353.02072	1.2
385.38217	1.7
447.25073	100.0
447.42044	7.2
448.25458	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	447.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07092	2.0
51.40802	1.9
51.72016	1.8
53.03939	8.9
55.01871	7.9
55.05262	3.5
55.05515	32.0
56.75799	1.8
57.03437	12.7
65.03931	3.2
67.05513	72.9
69.03430	5.4
69.07076	22.2
70.00028	5.0
70.00423	3.5
71.01347	6.3
71.05006	6.2
73.46143	2.0
75.47690	1.8
77.68327	2.3
79.05501	75.0
81.03428	94.9
81.07070	46.0
83.04990	13.4
83.08630	26.3
85.02965	2.1
85.06541	5.4
91.05495	56.9
92.98753	2.0
93.07056	66.3
94.84398	2.1
95.04980	43.2
95.08608	16.8
96.11294	2.0
97.02902	2.3
97.06550	13.0
97.10186	18.3
98.20761	2.3
103.05537	2.4
105.07040	36.5
107.04979	14.5
107.08608	38.7
109.06534	8.4
109.10148	11.6
111.08083	11.6
114.12259	2.1
115.05477	4.9
117.07031	18.7
119.04916	3.0
119.08601	25.7
121.06519	11.3
121.10152	11.4
123.08086	3.2
125.09645	7.9
128.06252	3.9
129.07019	17.3
131.04955	3.2
131.08586	20.1
133.06519	6.7
133.10152	13.6
135.08087	4.4
135.11702	46.3
137.06084	2.3
137.09657	5.0
141.06943	3.1
143.08577	5.1
145.06494	8.6
145.10133	15.6
147.08083	8.3
147.11644	11.1
149.09641	7.8
155.08556	3.0
157.10167	12.6
159.08110	4.4
159.11723	4.8
161.09605	2.9
163.11263	10.9
165.12772	4.9
169.10107	3.4
171.11667	3.0
175.11195	14.5
181.10161	2.6
181.12201	6.5
183.11732	4.4
185.13292	6.5
186.13672	2.5
187.11264	4.6
189.11244	5.0
193.12263	48.8
195.15752	2.1
201.12846	2.6
203.14371	4.9
209.13361	2.4
219.13760	3.1
223.13425	2.7
231.13733	2.5
249.14958	5.3
319.20636	2.4
327.23288	3.0
329.21326	5.0
337.21777	6.0
347.21671	2.4
355.22672	18.8
373.23785	11.5
403.24658	7.0
429.26639	13.7
447.27478	100.0
448.27939	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31789	2.6
53.03966	2.4
55.05507	8.5
57.03410	2.8
57.05162	2.6
67.05484	8.9
69.07043	3.5
69.43196	10.9
69.43604	8.5
77.48539	2.5
79.05480	12.4
81.03431	15.3
81.07050	9.6
82.05401	2.7
83.04964	6.1
83.70928	2.9
91.05460	16.3
93.07030	13.0
95.04942	9.7
95.08588	3.6
105.07024	8.2
107.08607	5.2
107.48231	2.7
111.08028	2.9
117.06992	3.3
117.75866	3.1
119.08582	6.7
121.06509	4.1
129.07007	4.1
133.10107	2.9
135.11691	8.5
145.06476	5.3
145.10178	4.5
148.05203	5.0
151.07434	3.1
159.08022	4.0
163.11147	5.7
166.06276	17.0
175.11244	3.3
181.08606	53.6
182.09105	3.0
187.07594	3.4
188.08272	9.9
189.05392	5.4
193.12274	4.0
201.05405	4.4
202.09926	6.9
204.07817	12.4
212.88470	3.0
219.10147	17.6
221.08109	3.9
231.10152	13.0
233.11731	4.8
241.08543	5.2
255.33307	3.1
257.08121	4.1
261.11182	6.3
269.08066	10.8
271.09689	6.1
284.10373	26.3
285.07553	8.2
297.07773	3.6
299.09137	5.5
300.09863	12.0
313.10754	4.4
314.11545	4.7
315.12305	11.8
328.09442	5.6
328.12860	3.7
337.14435	5.3
341.10034	5.0
343.11871	29.9
353.13574	4.0
358.14105	100.0
359.14575	8.6
365.13980	6.1
371.14886	8.4
380.16205	11.2
388.07126	3.5
406.24045	3.3
411.18015	12.1
429.18707	6.6
429.26105	3.6
447.27057	15.0
472.66562	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	447.15
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
53.03939	8.6
53.37785	2.1
55.01874	4.6
57.12799	1.9
59.11031	1.9
59.89400	2.2
60.39147	2.3
61.66788	2.0
65.03934	2.8
67.05519	12.8
69.03435	11.9
70.54195	5.0
70.54567	4.0
70.82205	2.0
71.04998	3.8
77.03951	2.7
79.05491	16.9
79.83968	2.0
81.03417	10.2
81.07060	5.2
83.01341	2.4
83.04980	9.3
85.02924	4.4
87.04470	6.6
91.05478	24.1
93.03445	2.4
93.07050	5.1
95.04972	63.0
95.08599	5.9
97.02901	6.7
99.04460	2.7
103.05475	7.8
105.03405	5.7
105.07040	28.4
107.04945	18.5
109.02892	3.2
109.06528	7.2
111.04432	6.2
115.03883	2.2
115.05485	5.1
117.06998	5.9
119.04974	2.6
119.08572	14.7
121.06506	6.6
123.04414	31.0
123.08075	2.4
125.02351	17.7
127.03946	4.1
128.06223	8.5
129.05492	3.6
129.07004	26.3
131.04945	7.2
131.08559	7.3
132.05663	3.3
133.02849	11.5
133.06496	25.2
135.04431	9.3
137.05925	2.4
139.03896	4.1
141.06920	2.2
142.63937	2.2
145.06502	8.0
147.04425	4.5
147.08054	37.3
149.05977	8.9
151.03909	100.0
151.07561	9.2
153.05461	23.7
157.05119	4.7
157.06517	16.0
159.04411	15.5
159.08104	3.4
161.02350	6.1
161.06012	9.6
165.05515	2.8
169.04950	12.1
175.07533	30.9
177.05478	8.1
179.03488	4.0
179.07082	8.0
185.05971	9.2
189.05360	2.1
193.08617	8.8
195.06592	5.0
197.04411	15.8
197.08121	5.4
203.07054	28.8
207.18909	2.1
213.05559	3.5
215.05544	6.1
221.08118	41.4
231.06483	6.7
239.09123	37.0
249.07649	28.2
267.08640	74.9
269.99750	2.3
285.09692	42.8
285.12534	3.3
424.61475	2.1
447.10989	2.3
447.17007	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	447.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05510	2.8
56.96564	1.4
60.87342	1.0
63.02359	1.1
65.03932	4.8
67.05498	5.4
68.45038	0.9
69.03435	2.5
70.28859	4.3
73.04767	1.3
79.05475	2.1
81.03396	2.1
83.04980	15.4
85.02893	3.6
89.03924	10.2
90.04249	1.0
91.05422	2.1
91.05874	1.1
91.82144	1.0
93.03390	3.3
95.04969	6.8
97.02898	1.6
98.97574	1.6
107.04956	4.1
109.02895	1.5
111.04431	14.7
115.05482	1.5
116.98632	1.7
117.03379	12.1
119.04911	2.5
119.90649	1.1
121.02805	1.4
123.04394	3.1
128.06178	3.3
129.05476	1.7
129.06966	2.2
135.04413	23.7
137.02319	2.6
139.03893	5.0
143.08569	1.9
145.02838	15.2
147.04395	4.3
149.02313	4.6
152.06174	5.1
153.07002	18.4
155.08548	2.9
157.05029	1.3
157.06470	4.1
163.03908	82.7
164.04231	3.1
165.06973	1.9
168.05675	1.4
169.06502	2.3
171.08009	6.6
173.02385	7.4
173.05879	1.1
181.04999	1.7
181.06483	16.4
183.08035	6.2
184.05177	2.9
185.05966	7.1
191.03401	19.2
199.07564	15.8
208.54861	1.1
209.06009	4.6
211.07547	2.4
213.05478	17.0
221.02998	6.0
227.07030	100.0
228.07498	3.9
229.08572	4.7
237.05496	3.4
255.06534	71.0
257.07990	1.9
271.04440	1.5
273.07587	18.5
274.07950	1.2
277.03583	2.0
285.09579	1.8
300.50015	1.1
337.09116	4.3
361.02646	2.9
370.47528	1.1
377.07257	2.7
395.08081	2.7
424.03036	1.3
447.12949	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96872	0.3
53.03937	0.4
53.88010	0.4
55.01866	0.8
55.05513	0.9
63.13371	0.3
65.03943	1.0
65.38385	0.4
65.74047	0.3
67.05505	2.0
68.99792	1.0
69.03417	1.5
70.22257	0.4
71.49895	0.5
73.02924	12.8
79.05495	0.7
81.03423	0.9
81.07030	1.1
83.04994	2.2
85.02898	1.3
86.09734	0.3
87.04473	1.4
91.05461	1.1
93.03417	1.5
93.07050	1.0
95.05003	1.6
95.08566	0.6
96.37984	0.3
96.43291	0.3
97.02889	0.7
99.00829	0.5
99.04458	0.5
100.11335	0.4
102.29436	0.3
103.05421	0.5
105.07027	0.9
107.04952	1.2
107.08624	0.5
108.08112	0.5
109.02866	1.1
109.10144	0.5
111.00799	1.1
111.04433	2.5
117.07026	0.4
119.04941	0.5
119.08582	0.5
121.02852	1.6
121.10173	0.4
123.04417	0.7
127.03931	0.9
129.05489	1.2
131.04900	0.8
132.34697	0.4
133.10106	0.4
137.02341	3.9
137.05995	0.9
139.03893	1.3
144.08073	2.0
145.06474	0.5
145.10117	0.5
147.04413	1.3
149.02359	1.3
151.03989	0.4
153.01840	4.4
155.04996	0.5
157.05020	1.0
159.04510	0.4
160.15854	0.4
161.05974	0.6
163.03932	1.3
165.01866	2.1
166.06281	0.4
167.07037	0.8
173.06050	0.6
181.05005	0.5
183.02904	1.1
187.03882	1.0
189.05522	0.5
195.02863	0.5
201.05475	2.3
204.10258	0.3
207.02910	0.6
213.05516	0.6
219.06445	0.4
223.08624	0.9
227.07146	0.4
229.04979	4.8
247.06277	0.8
257.04504	3.0
267.11301	1.5
273.06067	0.8
274.04788	1.1
285.04059	1.6
285.12201	0.4
303.05008	100.0
304.05334	2.4
315.04889	0.4
327.04987	0.4
355.15472	0.5
369.09720	0.4
397.09158	0.4
415.10370	0.6
429.11536	0.9
429.16644	1.0
447.12277	1.0
447.19016	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	447.0922
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
50.31143	0.6
51.41278	0.5
51.87568	0.6
55.05505	0.6
57.03437	0.6
61.02918	0.8
67.01819	0.7
68.00255	0.5
68.99783	2.0
69.03411	1.1
69.71556	1.9
69.71959	1.3
71.04987	0.6
79.05500	0.6
83.04976	1.2
95.04960	0.6
98.21497	0.8
109.02917	0.7
111.00782	1.1
117.07070	0.6
129.06950	0.6
137.02330	1.0
139.03876	0.8
145.02905	0.6
145.15839	0.6
149.05937	0.6
153.01831	12.4
155.04921	1.0
159.04349	0.8
161.02356	1.1
161.05945	0.6
163.03883	1.4
173.06097	0.8
175.03943	2.4
183.04375	0.6
185.05984	1.3
187.03880	1.5
188.04436	0.6
189.01822	1.9
191.03334	0.8
197.06036	1.0
201.05449	1.3
203.03404	5.9
207.02783	0.6
211.03918	1.2
213.05461	2.6
215.03297	0.8
221.05797	0.6
225.01794	0.7
225.05544	1.0
227.03317	0.9
229.04973	1.8
231.06671	1.1
239.03416	1.2
241.05052	2.6
243.02913	2.7
245.04358	0.6
253.04863	1.7
255.02898	3.4
257.04489	1.6
258.05225	1.0
259.06064	2.3
266.05658	0.6
267.06512	1.7
268.03720	1.2
269.04401	3.8
273.03934	3.3
281.04480	1.9
283.02420	2.5
285.03986	4.7
286.04764	5.7
287.05579	1.0
291.06415	0.8
293.04260	0.8
294.05203	0.8
295.06015	3.7
296.03070	4.7
297.03928	14.9
298.04605	1.1
301.03476	5.2
303.04929	1.1
305.04404	1.0
311.01889	1.5
313.03424	25.6
314.04230	8.5
315.04953	2.5
321.04089	0.7
322.04715	1.2
323.05566	3.0
325.03427	2.5
326.04343	0.7
327.05173	1.6
329.02917	9.5
333.03796	1.2
337.07254	0.7
339.05063	0.9
341.02972	1.5
341.06607	7.8
343.04495	100.0
344.04938	1.7
347.05597	2.9
350.04218	1.0
351.04968	3.7
353.02966	3.2
365.06848	0.9
367.04361	1.0
369.06070	7.8
375.04752	1.1
385.05524	4.4
393.06042	36.0
394.06000	1.3
411.07123	17.4
429.08218	1.9
447.09265	19.1
448.09464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33216	1.4
51.47483	1.5
53.03944	5.6
55.01856	1.9
59.09172	1.7
67.05490	4.6
68.05026	3.0
69.03426	4.2
69.78782	2.5
69.79182	4.9
70.06596	14.8
74.02040	2.3
74.02444	31.4
75.81898	1.4
79.05492	9.4
80.05025	10.1
81.03400	3.5
85.02898	5.8
90.94893	1.9
91.05473	8.4
93.07037	3.2
94.06562	2.9
95.04983	38.3
95.08620	5.2
97.02894	4.8
103.05465	2.3
103.51855	1.4
105.04565	2.0
105.07032	9.2
106.06567	2.6
107.04961	17.0
109.02902	5.7
109.06520	5.6
112.29976	1.7
114.05492	1.9
116.07070	1.8
119.08601	4.3
121.06560	1.9
122.06071	3.5
123.03564	2.1
123.04430	18.8
123.08080	3.4
124.90110	1.7
125.02376	11.2
126.04706	1.9
126.05527	19.2
128.06206	2.5
129.07010	5.6
131.04944	3.8
131.08566	6.5
132.08121	7.3
133.02852	1.6
133.06502	3.0
135.04388	6.2
141.05510	4.2
145.05035	1.7
146.09674	2.3
147.08102	12.3
148.07579	1.6
149.05992	6.3
150.05513	9.2
150.09129	3.8
151.03915	62.7
152.07069	5.4
153.05492	11.2
156.08095	1.8
157.06493	3.9
159.04457	4.5
168.06627	2.2
174.09177	5.5
175.07542	8.7
176.10750	3.6
177.05466	6.5
177.09157	3.2
178.08617	5.4
179.07025	2.0
185.05986	2.1
191.07065	4.3
192.10211	5.4
193.08638	9.3
194.11758	5.9
195.06516	10.6
196.06050	7.6
202.08575	7.4
203.07040	4.5
209.08173	2.8
210.11288	1.6
211.09584	3.1
213.07568	6.2
214.07143	6.1
220.09703	28.4
221.08099	2.0
222.11229	6.0
238.10765	71.1
248.09219	7.5
256.11862	2.4
266.10254	38.2
284.11310	100.0
408.17847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01860	10.0
55.05278	2.8
55.05515	42.9
57.07079	47.5
63.39230	2.4
66.26927	2.2
67.05509	22.8
69.07074	76.7
70.55061	2.4
70.74043	7.9
71.08640	26.7
79.05509	17.4
81.06600	3.5
81.07065	58.7
82.07377	2.5
83.04964	5.9
83.08620	49.6
85.10181	17.6
91.05468	10.1
93.07054	32.5
95.04954	3.6
95.08614	41.1
97.06521	6.2
97.10177	29.2
105.07028	5.6
107.08618	24.1
109.06490	5.5
109.10165	22.5
111.08109	12.6
111.11734	22.0
119.08557	8.4
121.06492	7.7
121.10176	14.1
123.08052	4.4
123.11700	13.6
124.05206	9.1
125.09612	3.6
125.13261	7.3
133.10146	3.6
135.08026	4.3
135.11714	15.7
137.05975	7.0
137.09595	3.7
137.13202	3.0
139.07547	100.0
140.06876	2.5
147.11714	4.1
149.09581	7.1
149.13327	14.7
149.14378	2.9
151.07518	9.1
157.10078	4.2
161.09607	5.2
161.13280	3.6
163.14847	14.4
165.05466	16.6
165.09135	28.7
165.16304	4.3
175.07578	3.5
175.11250	6.3
177.09097	5.6
180.99896	3.1
181.08557	4.1
189.12721	5.2
191.10622	2.6
193.08606	14.9
199.11151	3.7
203.10652	8.6
203.14204	3.1
203.18242	2.3
213.12775	3.1
217.12282	8.1
221.11679	5.9
231.13844	5.6
289.28836	18.3
307.30017	24.4
333.24240	2.7
399.36301	5.5
409.34314	2.7
417.37064	4.1
427.35666	8.7
445.02896	2.5
445.36874	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	37.7
57.07079	67.5
67.05504	15.9
69.07074	72.9
71.08640	52.3
71.20023	4.4
75.20266	3.7
79.05503	13.6
81.07069	31.7
83.01335	11.4
83.08621	42.4
85.10190	24.9
86.33144	3.7
88.53190	3.3
91.05487	10.5
93.07047	14.2
95.08613	35.9
97.02928	4.6
97.10180	24.8
99.04438	4.4
105.07035	19.0
107.08591	17.5
109.06519	66.1
109.10168	18.6
110.39179	3.7
111.08099	6.5
111.11720	14.8
119.08573	11.3
121.06553	7.9
121.10170	10.0
123.08098	14.4
123.11709	8.5
125.05976	5.5
125.13309	5.4
131.08563	14.7
133.10208	7.1
135.08081	21.0
137.05984	100.0
137.09634	12.4
139.07533	25.4
142.07800	3.9
143.08615	6.2
145.10161	5.9
147.08112	3.8
147.11710	10.4
149.06059	5.1
149.09671	18.5
151.07574	46.6
153.09113	6.2
157.10158	6.7
159.08089	8.9
159.11740	6.8
160.08882	5.0
161.09633	21.8
161.13269	5.1
163.07570	11.1
163.11288	5.4
165.09122	49.0
169.08749	5.9
171.11787	12.0
173.09644	7.1
174.10452	4.5
175.11200	21.0
177.09164	23.3
179.10710	12.4
181.08679	6.2
185.13220	5.3
187.11241	5.0
188.11931	4.8
189.09047	5.6
189.12733	19.1
191.10687	7.4
193.08574	7.6
193.12315	19.0
202.09923	6.5
203.10733	8.7
203.14319	7.8
205.12244	9.4
207.13843	20.1
219.13907	4.2
221.15468	11.4
231.13803	8.0
235.17043	8.5
249.18466	5.3
259.20621	4.4
263.20010	9.4
270.26874	4.3
273.21912	5.0
277.21545	9.0
279.22919	3.8
291.23221	10.3
305.24710	5.8
333.27988	6.3
385.34683	29.0
399.36240	32.1
403.35648	18.7
417.37271	60.1
427.35693	23.3
445.36960	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05273	0.8
55.05514	11.2
57.07076	3.8
58.06467	0.5
65.03934	0.6
67.05516	4.9
69.07075	17.6
69.33414	4.6
71.08628	1.9
79.05486	2.0
81.07063	10.2
83.04981	0.7
83.08628	9.2
85.06504	0.6
85.10168	0.5
87.58855	0.5
91.05473	2.0
93.07057	2.2
95.04943	0.9
95.08611	8.1
97.10190	5.0
105.07028	2.4
107.08591	4.4
109.06578	0.8
109.10159	6.6
110.67353	0.6
111.04425	0.7
111.11702	2.1
117.48827	0.5
119.08588	3.7
121.06492	1.5
121.10134	2.2
122.07280	0.8
123.08060	0.9
123.11714	1.3
125.13248	0.6
129.07022	0.6
131.08568	1.8
133.10133	1.9
135.08070	3.2
135.11664	1.6
137.09625	10.0
137.13264	1.0
139.07585	1.1
139.14807	0.7
143.08569	1.1
145.10127	2.2
147.11696	0.9
149.00476	0.5
149.09631	8.2
149.13249	1.0
151.07542	1.0
152.25093	0.5
153.09073	1.1
157.10217	1.2
159.11745	1.6
161.09625	0.9
163.11174	10.9
165.09122	100.0
166.09412	0.8
173.09616	1.7
173.13292	1.2
174.10400	0.7
175.07480	0.6
175.11185	2.9
176.08273	1.0
177.09140	6.5
177.12772	1.3
179.10669	1.4
185.13373	0.8
186.10432	0.8
187.11224	1.4
189.09106	2.4
189.12808	1.8
190.09933	0.8
191.10689	5.1
199.11131	2.9
201.12732	2.0
203.10689	4.3
203.14256	0.9
205.12234	7.3
217.12239	1.1
219.13837	1.9
222.95047	0.6
233.15410	0.7
245.15349	0.6
247.16934	0.9
247.74181	0.5
289.21646	0.7
303.23059	0.6
373.14655	0.5
387.16022	1.7
394.86948	0.6
399.32349	0.7
401.17526	1.7
402.18478	0.9
415.15356	3.1
417.20892	1.2
427.35547	3.5
429.17368	1.3
430.17435	3.3
430.34750	0.6
431.18802	1.1
445.20178	28.1
445.30646	1.1
445.36844	7.7
446.20813	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01862	8.8
55.04760	2.0
55.05516	35.6
57.06829	3.1
57.07083	38.0
67.05516	22.1
69.07073	83.9
69.25306	7.0
69.25726	12.2
71.08636	28.2
74.06699	2.3
79.05502	14.8
81.07062	55.3
83.05014	5.2
83.08627	52.3
83.09116	3.3
85.10197	14.1
91.05473	9.0
93.07048	36.1
95.08612	48.0
97.06543	5.4
97.10180	32.5
105.07027	7.3
107.08607	29.2
109.06490	5.6
109.10163	27.5
111.08082	9.1
111.11736	22.4
119.08578	5.0
121.06500	6.5
121.10156	15.8
123.08060	7.9
123.11707	13.4
124.05180	7.0
125.09633	3.6
125.13271	6.8
133.10144	2.6
135.11714	13.6
137.05969	10.0
137.09645	4.3
137.13278	5.5
139.07550	100.0
149.09615	4.4
149.13293	13.2
151.07574	9.9
151.14847	3.4
161.09604	3.4
161.13338	2.9
163.14825	14.7
165.05487	15.4
165.09140	20.1
175.11169	3.9
177.09163	6.2
177.16499	3.1
181.08502	2.2
189.12827	4.8
193.08644	17.2
203.10732	5.0
217.12210	5.8
219.13866	4.6
221.11768	4.5
231.13846	3.1
235.36191	2.4
289.28909	15.6
307.29950	21.7
333.23984	2.6
409.34744	2.4
417.37216	5.9
427.35843	9.9
445.36798	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19822	3.4
53.03943	4.5
55.01871	6.5
61.51492	3.1
65.03945	4.6
67.05505	5.6
69.03413	6.4
70.87909	6.2
70.95828	4.2
71.01305	3.5
72.93781	11.1
73.04767	4.2
74.05054	3.3
78.20654	3.3
79.05482	12.6
85.02908	5.5
90.94810	6.6
91.05448	19.6
92.07410	4.0
93.07046	18.3
95.04973	66.4
96.23482	3.5
97.02866	9.5
103.05473	10.1
105.07027	12.5
107.04978	30.9
109.06498	6.4
115.05483	6.4
117.07018	16.6
119.08561	4.9
121.02853	14.3
121.06538	29.9
123.04489	17.8
125.02365	44.6
128.24628	3.5
128.96365	4.3
129.07013	4.3
131.04958	7.7
132.95874	19.7
135.04269	3.7
135.08041	5.2
137.05930	3.7
139.03922	4.9
144.95837	10.8
145.06503	18.5
147.08025	6.9
149.02412	22.4
149.05966	22.3
150.51120	3.4
151.03906	59.5
153.05489	9.8
158.97438	35.6
159.04396	5.5
163.07588	8.6
167.03296	4.2
168.95874	8.2
173.05989	22.5
174.96919	10.5
175.07591	9.1
176.98402	6.2
177.05432	10.7
184.60393	4.0
186.96931	7.1
191.07043	15.9
195.02820	9.5
195.06554	8.1
201.05511	17.5
213.04016	8.8
216.97911	26.0
219.06491	22.7
222.96962	4.1
234.99014	100.0
237.07515	6.3
247.06003	11.0
253.00081	4.7
254.95953	8.5
264.97836	6.9
265.07077	21.5
283.08142	69.3
287.02087	23.8
313.00119	22.8
325.00061	6.0
331.01071	16.4
356.99295	6.2
359.02774	5.6
398.08203	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3525
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05517	28.5
57.03425	11.4
57.07063	6.9
61.86946	6.0
67.05511	37.9
69.03412	10.8
69.07072	28.5
69.76435	12.0
69.76850	22.2
71.04996	6.5
79.05499	34.4
81.07064	74.8
82.07394	8.4
83.08620	23.0
83.09101	6.8
85.52695	6.8
91.05476	37.4
93.07047	61.1
95.04948	9.2
95.08615	100.0
97.10162	7.7
98.20776	7.8
101.06067	5.9
104.46446	6.9
105.07043	64.8
107.08605	83.3
109.10179	62.5
111.08063	8.0
117.07024	12.1
119.08591	76.6
121.06490	8.6
121.10143	72.7
123.08062	8.9
123.11713	22.9
129.06955	6.8
131.08594	34.2
133.10152	57.1
135.08067	8.0
135.11726	38.0
137.09663	8.0
137.13219	11.7
139.11159	6.6
143.08609	15.3
145.10150	58.0
147.11703	52.0
149.09659	8.6
149.13297	30.4
151.11142	8.7
157.10182	13.1
159.11693	30.4
161.09694	6.9
161.13264	28.8
163.14833	36.6
165.09145	6.9
171.11711	7.3
173.13248	35.1
175.14838	20.1
177.12810	7.9
177.16409	23.1
179.14340	15.1
185.13222	10.1
187.14816	57.8
189.12746	7.0
189.16429	20.2
191.14377	7.9
191.17972	25.5
199.14806	15.3
201.16374	45.7
203.18013	18.9
205.15895	70.5
213.16460	11.1
215.17940	17.3
217.15907	19.1
219.17415	14.9
223.16963	14.1
227.17979	9.9
229.19492	14.8
231.20901	6.7
235.16939	20.0
241.19482	13.5
245.22693	14.7
255.21059	7.5
269.22421	6.8
273.22244	6.5
311.24170	6.3
379.33722	22.7
389.32016	13.9
397.34628	20.5
407.33197	76.7
415.35931	15.3
425.34070	54.6
434.37006	6.3
439.22931	5.8
443.35236	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1916
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
51.70779	7.1
69.03416	10.3
70.87130	17.7
119.08545	7.2
120.78178	8.0
133.06488	7.5
135.08072	100.0
135.85300	8.0
137.05940	8.9
159.11656	9.6
161.91507	8.5
172.08722	7.1
173.09669	18.7
187.11172	39.2
215.10696	30.6
227.10570	9.5
233.11700	48.1
245.11859	39.3
263.12881	24.3
313.54440	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	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.72398	0.3
52.59761	0.4
55.01867	0.5
55.05510	2.9
57.03424	0.4
57.07075	0.8
59.04990	0.5
67.05502	4.2
67.83060	0.4
69.03436	0.4
69.07064	4.9
71.04987	0.5
71.27598	0.4
71.49818	0.4
77.14210	0.4
79.05482	3.9
81.07054	8.6
83.04965	0.8
83.08620	2.8
85.06555	0.6
85.84642	0.3
87.04461	0.5
90.41539	0.4
91.05461	4.7
93.06490	0.6
93.07040	8.0
95.04972	1.2
95.08607	14.7
97.06531	0.8
97.10178	0.8
102.95277	0.3
105.07031	8.6
107.08595	14.0
107.09313	0.9
109.06519	2.5
109.10157	8.6
111.08103	1.6
117.07035	2.0
119.08578	9.1
120.03582	0.4
121.06514	2.0
121.10145	10.5
122.72828	0.4
123.08062	7.0
123.08954	0.5
123.11711	2.6
129.06978	1.0
131.08568	6.4
133.06500	0.5
133.10136	8.2
135.08035	2.6
135.11681	4.1
137.09613	1.2
137.13290	0.9
142.07733	0.4
143.08531	1.6
145.10120	8.8
147.11681	8.8
149.09605	1.9
149.13263	5.3
151.03937	1.6
151.11211	1.3
155.08548	0.7
157.10120	2.3
159.11687	7.3
161.13293	4.0
163.11180	1.0
163.14813	6.0
165.09100	0.5
170.10916	0.5
171.11714	1.2
173.13263	3.3
175.11240	1.0
175.14856	2.4
177.12784	0.9
177.16389	5.1
183.11740	0.9
185.13298	2.1
187.14815	12.0
189.12767	0.6
189.16351	2.2
191.14378	0.6
191.17973	1.3
195.11649	0.4
199.14793	2.4
201.16379	5.3
203.14386	1.0
203.17947	4.3
205.15884	23.6
207.17532	0.5
211.14812	0.8
213.16405	1.2
215.17972	2.3
216.80153	0.4
217.15976	0.6
219.17474	1.9
223.16901	2.5
227.17982	1.1
229.19481	1.1
241.19595	1.1
245.04272	0.4
253.19470	0.5
255.21091	1.5
267.21234	0.6
269.22690	1.2
303.23309	0.5
330.26862	0.5
347.25800	7.8
373.27301	6.9
389.31906	0.5
397.63959	0.4
407.33124	1.7
425.34207	5.6
443.35220	100.0
444.35422	3.7
444.40384	0.4
444.57614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.7
57.03444	13.8
61.02932	12.8
69.03433	32.7
69.81979	8.6
71.04983	2.8
71.08614	2.1
71.39137	1.8
73.02924	53.3
79.05496	2.6
81.03419	8.4
81.07084	2.7
83.04955	2.4
85.02914	100.0
87.04458	3.9
91.03974	4.1
92.85141	1.8
93.07045	4.5
95.08632	2.4
97.02902	49.6
98.21104	5.4
99.04454	3.3
103.03956	2.5
105.07014	4.0
109.02892	9.1
115.03944	23.9
119.08540	2.0
127.03934	30.7
133.04982	26.1
145.04987	55.6
163.06027	22.3
167.07076	5.6
176.32713	2.3
191.76953	2.0
223.06006	3.4
241.07072	5.1
259.08087	4.5
277.09158	2.2
442.25180	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.72391	2.5
52.06973	2.5
55.05512	10.6
57.07070	6.6
59.04996	2.5
65.03947	3.7
67.05503	24.1
69.07071	15.3
70.26749	2.2
71.04980	3.1
71.08638	4.2
73.06569	2.2
79.05491	20.8
81.07060	52.9
83.08620	10.8
85.06539	10.7
89.06041	3.6
91.05476	15.6
93.07044	47.4
95.08613	100.0
97.06517	3.5
97.10183	7.5
99.08062	4.2
105.07035	44.6
107.08599	65.9
108.84001	2.0
109.10165	53.3
111.08080	5.9
113.09644	5.5
117.07056	6.0
118.73847	2.5
119.08585	57.2
120.08989	2.1
121.06509	6.0
121.10156	55.9
123.11713	22.8
125.09686	2.4
131.08571	6.7
133.10130	36.6
135.11699	47.3
137.09598	4.1
137.13251	8.5
139.11165	3.8
143.08556	3.9
145.10126	26.9
146.10873	2.5
147.11688	30.1
149.13257	30.8
151.11198	3.1
155.08621	2.8
157.10150	6.0
159.11697	29.3
161.13251	36.7
163.11143	4.0
163.14835	31.7
165.12753	3.8
171.11708	7.0
173.13277	17.5
175.14844	28.7
177.12791	4.4
177.16406	17.5
179.14325	3.6
182.31802	2.3
185.13213	2.9
187.14857	16.7
189.16389	25.5
191.14326	8.8
191.17950	55.5
193.15923	5.2
199.14880	5.7
201.16367	20.8
203.17986	24.3
205.15903	6.5
205.19518	9.4
207.17456	9.4
213.16382	6.2
215.17926	25.9
217.15852	2.4
217.19502	12.0
219.17477	8.6
221.19057	3.4
227.17982	4.8
229.19527	5.6
231.17505	3.0
231.21115	4.8
233.18956	20.6
241.19643	4.2
243.21074	5.1
245.18918	2.6
245.22630	3.7
247.20650	5.0
257.22647	3.5
261.22147	2.6
283.24182	3.7
285.25931	2.4
287.23666	2.7
301.25275	3.1
395.37015	4.7
405.35165	7.7
413.37363	2.8
423.36334	67.7
424.36658	2.9
441.37671	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	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
50.87275	0.6
55.05505	2.4
57.07079	1.4
67.05504	4.1
69.03434	1.6
69.07076	5.7
79.05482	2.3
80.75266	0.5
81.07062	9.6
83.04981	3.0
83.08627	1.8
91.05479	2.1
93.07040	5.0
95.04985	1.5
95.08609	18.5
97.06551	0.8
97.10168	1.5
98.21478	1.2
103.71380	0.5
105.07019	4.1
107.04952	0.7
107.08596	11.9
109.06519	1.3
109.10167	9.5
111.08079	1.7
111.11700	1.1
113.02914	0.6
117.07046	1.1
119.08576	6.9
121.06506	1.7
121.10143	8.9
123.08096	1.9
123.11736	4.8
125.09653	0.6
131.08557	1.3
133.10153	4.8
135.08058	2.3
135.11703	9.6
137.09641	1.4
137.13235	3.8
139.11212	0.8
143.08582	0.7
145.10168	2.8
147.11681	3.7
149.09628	11.8
149.13263	3.3
151.11194	1.0
157.10155	0.7
159.11678	3.2
161.09602	1.0
161.13232	1.9
163.11194	1.8
163.14857	1.6
165.12805	0.8
171.11716	1.0
173.13307	1.9
175.11223	0.8
175.14842	3.4
177.16422	2.7
179.14256	0.7
185.13246	0.9
187.14764	1.0
189.16354	3.6
191.17928	4.6
202.21715	0.9
203.17992	1.1
205.15938	0.6
205.19502	1.1
207.17511	1.1
213.16316	1.2
215.17995	2.4
229.19427	0.6
231.17496	1.2
233.19061	4.3
235.16908	1.6
245.19006	1.0
261.22296	0.7
269.22583	1.3
287.23685	5.7
301.25125	0.6
405.35175	1.0
423.36481	2.6
441.37299	100.0
442.37750	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03934	2.4
53.41541	2.5
55.05516	11.3
57.07062	7.1
59.05000	2.1
67.05503	29.7
69.07074	34.6
73.24805	2.1
79.05496	20.5
81.06608	4.3
81.07063	81.5
83.04947	2.8
83.08616	6.5
85.06528	6.3
91.05488	17.2
93.06496	2.7
93.07050	42.6
95.08611	100.0
97.10181	7.6
97.39259	2.0
98.20718	5.5
102.50636	2.0
105.07030	35.7
107.08599	70.9
109.10161	55.6
111.08056	6.7
113.09646	6.7
117.07030	4.3
119.08588	55.8
121.10140	61.5
123.08031	3.5
123.11708	25.8
125.09631	3.2
131.08554	14.4
133.10130	36.6
135.08061	7.7
135.11702	51.9
137.09592	9.7
137.13274	9.4
139.07523	4.6
143.08562	2.8
145.10138	26.1
147.11699	37.4
149.09566	2.1
149.13280	27.5
157.10095	2.8
159.11691	25.9
161.13261	30.3
163.07559	9.4
163.14815	32.5
165.07811	4.4
165.09122	61.2
165.12781	4.1
169.10074	2.7
171.11717	3.4
173.13304	19.0
175.14854	27.9
177.12718	4.4
177.16423	19.1
179.14258	5.3
181.08583	5.5
185.13298	3.9
187.14867	15.0
189.12769	3.5
189.16414	22.2
191.10693	2.5
191.14233	6.9
191.17961	55.7
193.15929	5.2
199.14781	4.5
201.16370	21.3
203.10669	2.6
203.14131	2.5
203.17996	28.3
205.12210	8.8
205.15854	4.4
205.19507	12.6
207.17484	6.6
215.17955	28.7
217.15950	2.4
217.19563	14.7
219.17490	12.8
221.19202	2.8
227.17888	3.0
229.19455	5.8
229.33344	2.5
231.17470	6.3
231.21071	6.1
233.19029	23.7
241.19455	2.8
243.21107	5.6
245.18996	2.5
245.22771	3.3
247.20621	2.5
257.22641	3.4
260.81464	2.2
261.22073	3.6
269.22684	3.0
271.24228	2.9
301.12265	2.1
327.26721	2.7
360.22690	2.7
395.36694	7.5
405.35376	11.5
413.37585	3.7
423.36331	81.0
441.37387	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	441.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	27.6
67.05498	40.6
69.07060	18.3
69.23753	11.6
69.24171	24.6
74.27415	3.7
74.30292	4.5
77.03907	3.5
78.75600	3.7
79.05501	27.6
81.03408	6.1
81.07057	56.5
83.04974	12.8
83.08623	13.3
87.87503	4.6
90.37214	3.6
91.05477	29.4
93.07043	65.1
95.04980	8.8
95.07986	5.2
95.08609	100.0
97.06524	14.4
97.10165	8.9
98.24962	3.3
103.05412	3.6
105.07030	73.2
107.04934	5.0
107.08599	85.2
109.06516	9.8
109.10167	53.1
111.08070	6.4
117.06986	10.3
119.08585	99.6
121.06551	11.0
121.10139	70.3
123.08056	11.1
123.11678	18.2
125.09628	8.5
129.07047	4.5
131.08557	27.6
133.10118	63.4
135.08054	13.2
135.11690	28.3
137.09605	6.6
143.08565	19.5
144.09372	5.1
145.06490	5.9
145.10117	54.2
147.08003	5.4
147.11700	34.3
149.09555	6.8
149.13228	25.5
151.11276	6.0
157.10129	16.7
159.08006	4.3
159.11691	37.7
161.09581	9.5
161.13229	26.7
163.11180	4.9
163.14810	27.1
169.10130	10.9
171.11656	20.3
173.09581	5.0
173.13235	24.2
175.11160	7.1
175.14854	27.5
177.12715	11.0
177.16446	14.9
179.14314	5.3
183.11700	11.1
185.13283	18.2
187.14803	41.4
189.16328	30.7
191.14430	20.6
191.16058	4.7
191.17967	14.8
197.13268	5.8
199.14847	12.3
201.12682	5.0
201.16397	24.1
203.14354	15.3
203.17937	22.1
205.12294	5.1
205.15840	13.0
209.13301	5.0
211.14862	6.3
213.16380	18.3
215.14330	8.4
215.17934	18.1
217.15883	7.8
219.17442	7.3
223.14818	4.4
225.16385	4.7
227.17912	7.3
231.17563	5.0
231.21043	4.6
233.15536	5.9
243.21075	5.0
244.58470	4.7
253.19632	4.1
267.21307	5.6
309.22177	4.5
372.71558	4.2
405.31613	18.7
407.33182	21.9
423.32727	29.3
441.27930	5.9
441.33752	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.05501	13.2
57.07076	5.7
65.03926	3.0
67.05503	25.3
69.07075	18.2
71.50133	3.5
79.05502	26.9
81.06595	4.0
81.07054	51.7
83.04999	6.2
83.08607	9.0
91.05473	36.3
93.07041	55.1
95.04955	6.0
95.08611	62.2
97.06541	3.5
97.10159	4.1
99.08094	35.8
105.07029	66.4
107.07884	5.8
107.08594	100.0
108.02125	2.6
109.06525	7.7
109.10156	32.3
111.08071	7.5
117.07018	13.7
119.08583	81.4
121.06485	3.4
121.10149	46.9
123.08033	6.4
123.11700	15.7
125.09635	11.4
127.07539	8.2
129.06967	5.1
131.08574	42.4
133.10127	53.8
135.08035	4.3
135.11691	18.1
137.09630	5.1
137.13255	4.3
142.07776	5.8
143.08572	20.0
144.09329	6.7
145.10126	47.5
147.08066	4.2
147.11687	39.9
149.09543	3.6
149.13261	12.2
151.11121	4.1
155.08630	5.6
156.09329	5.8
157.10135	23.2
159.11717	47.3
161.09633	4.2
161.13275	35.4
163.14822	10.4
169.10118	10.7
171.11696	18.4
171.65540	3.5
173.09624	2.8
173.13248	34.3
175.11269	3.8
175.14835	23.7
177.16376	12.1
181.10098	3.0
183.11714	11.4
185.13219	22.1
187.14839	50.4
189.12833	3.4
189.16429	24.6
191.14284	14.3
195.11734	5.2
197.13248	10.2
199.14851	20.8
201.16385	47.2
203.14282	7.8
203.17969	7.3
205.15874	20.3
209.13254	5.5
209.15294	4.6
211.14864	14.6
213.16328	9.1
215.14345	3.7
215.17958	7.6
217.15929	7.5
217.19386	4.0
219.17464	3.7
221.13313	4.2
221.15356	3.7
223.14796	4.4
225.16356	7.1
227.17911	9.5
229.15900	6.2
229.19391	3.4
231.17395	3.2
237.16275	4.2
239.17969	4.1
241.19516	5.2
245.18922	4.1
253.19514	6.4
257.19055	4.6
259.20575	4.5
271.20453	4.4
277.19345	4.0
279.21082	3.3
283.20468	3.7
305.87131	2.8
333.26083	2.8
351.26764	10.4
369.28104	4.4
405.31580	25.4
423.32663	47.6
441.33710	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3366
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.27255	0.7
53.03930	0.6
54.16745	0.6
55.05518	3.3
57.03414	0.7
57.07081	0.9
67.05507	4.2
69.03429	2.2
69.07054	4.2
70.19157	2.8
79.05502	3.7
81.07064	10.4
83.04976	1.7
83.08614	3.2
85.06542	0.8
88.32292	0.6
91.05477	4.6
93.07056	9.3
95.04957	1.5
95.08613	10.6
97.06552	0.8
97.10161	1.1
99.08118	0.8
101.62067	0.6
105.07048	9.8
106.59768	0.7
107.04946	1.0
107.08601	13.8
109.10159	7.4
111.08053	1.5
117.07018	1.6
119.04915	0.7
119.08592	10.5
121.06542	0.8
121.10146	10.6
123.08064	1.3
123.11729	3.6
125.09614	0.9
128.06226	0.7
129.07016	0.8
130.34491	0.7
131.08598	4.7
133.06514	8.6
133.10135	8.9
135.08080	4.4
135.11694	5.5
137.29715	0.6
141.20483	0.7
142.07788	1.1
143.08560	2.7
145.10139	7.5
147.08031	4.0
147.11670	6.3
149.09657	1.1
149.13271	3.7
151.11227	1.2
155.08632	0.9
156.09386	0.7
157.10172	3.4
159.08185	0.7
159.11697	6.9
161.09615	2.0
161.13255	5.8
162.10419	2.2
163.11179	1.7
163.14871	3.0
165.09164	0.7
171.11681	2.6
173.13307	4.3
175.11176	3.4
175.14792	3.8
177.12733	2.2
177.16476	3.0
183.11670	1.5
185.13226	4.0
187.14842	4.0
189.12752	2.6
189.16463	4.1
191.14359	1.8
191.17949	1.5
197.13312	0.7
197.82158	0.7
199.14822	3.0
201.12685	1.3
201.16449	3.3
203.14331	18.6
203.17888	3.9
205.15878	12.6
213.16441	1.9
215.14334	1.8
215.17877	1.5
217.15872	5.7
219.17448	1.0
227.17892	1.0
229.15892	1.0
229.19397	1.1
230.16750	0.7
231.17447	1.4
241.15845	0.7
243.17274	0.7
255.21300	0.8
267.21207	0.6
271.20657	1.2
302.19107	0.6
318.79477	0.7
322.05511	0.6
322.18533	0.6
405.31586	1.9
423.32474	21.6
441.22589	7.8
441.33655	100.0
442.34222	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01863	6.1
55.05517	13.7
57.03438	1.7
57.07060	1.6
67.05522	14.5
68.05807	1.4
69.07067	4.9
70.01093	5.5
71.04973	1.6
71.95509	1.2
79.05501	19.1
81.03407	2.1
81.07060	17.2
83.04980	2.4
83.08622	4.8
91.05486	11.7
93.07060	10.9
95.04951	2.2
95.08630	14.9
97.06522	2.6
97.10159	6.4
98.20800	1.5
98.73803	1.3
105.00666	1.3
105.07029	12.9
107.04974	2.7
107.08615	7.8
109.06561	1.6
109.10182	7.3
111.08150	1.6
112.88582	1.2
115.05473	4.2
117.07010	7.3
119.08595	8.4
121.06534	10.8
121.10149	3.6
123.08108	2.5
125.09633	3.3
128.06244	3.1
129.07018	15.8
131.04938	12.8
131.08578	10.3
133.06540	6.5
133.07480	1.3
135.08069	1.8
135.11674	2.7
137.09601	3.1
141.06975	5.1
143.08586	10.7
144.05722	6.5
145.06500	88.7
145.10178	3.4
147.08072	7.3
155.08534	7.4
157.06561	12.8
157.10127	3.5
157.73277	1.6
159.08098	10.3
159.11757	2.3
161.05975	6.9
165.07071	1.9
167.07285	1.6
167.08527	7.6
169.06488	8.6
169.10170	5.1
170.07300	1.6
171.08043	18.4
171.11667	3.7
173.09610	3.2
179.08656	1.9
181.06512	4.7
181.10144	5.5
183.08049	8.5
184.08754	1.9
185.09644	8.4
185.13348	3.9
185.29950	1.5
187.14873	1.9
191.14200	1.4
195.08041	7.1
195.11737	14.3
197.09612	2.8
197.13213	6.9
198.10434	2.0
199.14781	1.9
203.14305	1.6
205.10167	1.5
207.08142	2.2
207.11771	2.2
209.09610	3.2
209.13309	3.0
211.11169	7.0
211.14813	2.3
213.12709	3.0
219.11824	1.9
223.11153	3.7
225.12735	4.5
227.14355	5.9
235.11234	3.6
235.14915	1.6
237.12750	10.7
239.14201	3.4
249.12660	2.4
255.13841	18.3
257.15399	3.5
273.14877	38.8
275.14413	1.9
281.15448	3.9
283.16971	2.7
287.16382	2.2
297.18652	3.4
299.16504	2.7
305.32031	1.6
311.16495	4.8
312.56866	1.6
321.22189	2.8
323.19916	2.2
325.18063	2.1
331.20740	3.0
339.23169	8.9
349.21692	35.2
351.43121	1.8
367.22702	69.0
368.22998	2.7
377.24847	3.4
385.23770	7.2
387.23309	4.2
395.25995	2.0
405.24228	13.0
423.25275	6.6
441.21274	4.9
441.26422	100.0
442.26794	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
51.40834	0.5
52.22001	0.6
69.07053	0.6
70.56891	1.8
79.05498	0.7
80.35493	0.5
81.07057	1.5
84.16665	0.6
85.02894	0.6
93.07062	1.0
96.22380	0.6
96.40131	0.7
135.11726	0.6
155.97534	0.6
185.04297	1.1
193.11958	3.0
203.00914	0.6
214.45653	0.5
216.77130	0.5
227.05228	1.0
235.13121	0.7
245.06326	3.9
289.05380	3.6
342.91193	0.7
355.17264	11.6
397.18338	34.8
398.18671	0.6
441.17355	100.0
442.18015	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2026
Annotation	Ibrutinib
Peak:m/z	Relative Intensity
55.05516	0.6
67.05494	1.1
68.05006	0.8
69.07069	0.6
69.83611	0.9
69.84000	1.3
79.05488	2.1
80.05015	1.7
81.03448	0.5
81.07059	2.3
83.08614	0.6
85.06528	0.5
91.05482	1.5
93.07027	1.0
95.04998	1.4
95.08617	1.1
96.04480	0.6
97.06538	1.5
100.03976	2.0
105.07036	1.1
107.04945	0.6
107.08604	1.4
108.08137	0.8
114.05530	1.5
115.05458	1.2
117.07025	6.4
118.05117	0.6
119.08605	1.2
123.53320	0.5
124.03966	4.0
125.06018	0.7
126.05540	2.9
128.04895	0.6
128.06216	0.6
129.07024	1.5
130.06525	2.9
131.08569	0.6
132.06610	1.3
132.08110	0.8
133.06509	0.5
136.57793	0.5
143.07318	4.4
143.08475	1.1
144.06566	3.1
144.08102	100.0
145.06514	2.9
145.08441	1.2
149.05998	1.0
152.28082	0.5
153.05476	1.2
155.06091	0.6
155.07233	1.6
156.08134	1.0
157.10176	0.7
158.09669	6.8
161.08470	0.5
167.07147	1.0
168.06693	0.8
168.08134	1.3
170.09673	7.2
176.07300	0.5
180.08171	1.0
183.09331	0.9
195.11729	0.6
196.09801	2.2
197.10789	0.7
222.13002	0.9
238.70485	0.5
248.08975	0.6
251.15401	0.5
255.11404	0.7
266.10181	3.5
273.14832	0.9
298.12915	15.2
298.16147	1.1
299.13400	0.7
310.12878	1.6
339.23511	0.5
349.21606	0.6
367.22867	1.8
391.16791	0.9
423.19464	1.0
441.20294	81.2
442.20810	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03937	1.3
55.05505	4.7
57.07067	3.5
59.04995	1.6
67.05511	12.5
69.03419	1.7
69.07072	8.6
69.51420	7.3
71.08645	1.3
79.05495	4.6
81.07058	14.4
83.04994	1.7
83.08598	4.4
89.06021	3.4
91.05479	3.3
93.07053	9.4
95.04977	2.3
95.08611	58.6
97.10139	1.4
105.07020	6.6
107.08592	12.6
109.06493	1.7
109.10165	12.6
111.08060	1.2
111.11747	1.4
119.08575	11.2
121.06483	1.8
121.10156	14.0
123.08060	3.8
123.11722	7.5
131.08580	4.8
133.08585	1.9
133.10149	10.3
135.08075	3.1
135.11687	8.0
137.09612	1.9
137.13269	4.0
143.08586	1.5
145.10132	6.5
147.08052	1.4
147.11656	5.9
149.09633	7.7
149.13260	4.4
157.10143	3.9
159.08095	1.4
159.11711	3.6
161.09706	2.1
161.13251	3.2
163.11267	1.3
163.14908	2.3
171.11723	2.8
173.09659	2.7
173.13275	3.2
175.11307	2.8
175.14851	3.2
177.12833	1.5
177.16336	1.2
183.11765	1.9
185.13248	2.0
187.14832	3.3
189.12747	1.7
189.16393	4.8
191.17961	4.5
197.13309	1.6
203.17963	2.2
205.19550	1.5
207.17438	1.8
213.16423	2.0
215.14313	2.9
215.18092	3.1
217.15967	2.1
231.17448	1.8
233.15488	1.3
233.18974	1.4
239.14923	2.2
243.17633	1.3
255.17432	1.3
283.20599	1.8
287.23706	1.8
313.25208	2.0
327.26825	4.7
342.93036	1.3
357.28082	1.9
381.31454	1.4
393.31589	1.6
421.34677	33.6
439.35757	100.0
440.36307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50129	1.4
54.83137	1.2
56.96561	4.1
69.64013	1.2
70.06596	2.0
70.07775	5.7
81.03415	3.0
89.03975	1.4
91.05503	3.0
97.96867	2.0
98.20851	2.1
98.97600	11.7
99.04456	1.6
109.02958	1.7
110.97578	4.2
116.07099	2.1
116.98675	1.5
117.03381	3.0
127.03973	2.1
128.98619	2.4
135.04448	2.7
143.00185	1.5
145.02794	1.7
147.04327	2.0
158.99699	2.3
163.03938	20.3
164.04262	3.3
207.03455	3.0
219.01877	4.6
237.02890	3.4
309.06696	3.1
327.07477	9.5
328.18707	2.0
423.14310	2.4
441.11557	100.0
442.11700	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.6
57.07067	7.5
59.05009	2.3
60.17822	1.9
62.01384	1.8
67.05508	20.7
69.07073	21.4
69.60882	12.3
71.08625	2.5
79.05499	16.0
81.07059	45.2
83.08616	12.6
85.10207	2.2
89.06027	19.8
90.06367	3.1
91.05016	2.7
91.05483	14.5
93.07045	35.3
94.30312	2.5
95.04963	1.7
95.08613	83.0
96.84029	2.0
97.10184	6.9
105.07035	31.1
107.07882	3.4
107.08598	56.6
107.83490	1.7
109.06518	2.7
109.10166	47.1
117.07007	3.9
119.08584	51.7
121.10162	46.0
123.11710	18.3
125.09647	2.5
131.08560	7.7
133.08629	10.6
133.10130	42.6
134.08955	4.2
135.08092	2.0
135.11697	37.3
137.13254	22.6
145.10121	12.3
147.11705	43.3
149.13280	30.7
151.14877	3.1
153.09103	4.3
159.11678	13.0
161.13261	27.3
162.41733	2.0
163.14853	22.2
165.09218	2.5
165.12686	2.3
167.10764	2.9
171.11716	2.1
173.13319	7.8
175.14847	16.4
175.95920	2.0
177.11247	2.3
177.16428	8.0
185.13350	2.7
187.14894	9.7
189.16391	54.0
189.18164	2.7
191.17958	70.2
193.12288	4.1
199.14862	2.5
201.16414	12.6
203.17961	100.0
205.19540	16.7
207.13699	3.8
207.17360	4.0
213.16365	2.8
215.17998	4.9
217.19475	15.3
221.19016	5.7
227.17909	2.0
229.19351	2.9
231.17552	2.5
231.21118	6.3
235.16992	4.4
239.14886	12.0
240.15292	6.1
241.19463	2.3
243.21092	4.9
245.22632	13.6
247.16925	3.0
249.18483	19.7
255.21141	2.7
257.22705	9.7
261.18451	3.8
269.22659	2.8
283.24057	2.0
287.20023	3.2
289.21686	4.7
301.21667	4.6
305.73703	2.2
315.23434	2.3
355.26453	1.9
393.35327	15.2
421.34726	3.0
439.35977	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91131	1.9
53.78029	1.7
54.18827	1.8
55.05510	11.1
57.07076	3.6
59.32852	1.7
61.59273	2.0
67.05498	10.2
69.07074	12.6
69.15372	2.2
69.15610	4.9
69.16013	15.7
74.28249	1.8
79.05485	7.4
81.06664	2.3
81.07063	26.1
83.08616	6.9
87.87463	1.8
91.05479	8.9
93.07053	21.3
95.08610	48.9
95.86054	1.8
97.10173	3.1
98.20766	5.5
105.07038	26.9
107.08596	38.7
107.42802	1.9
109.10159	31.1
112.64116	2.0
119.08578	42.8
121.10147	33.8
123.11690	10.0
131.08583	3.6
133.10133	34.1
135.11710	21.2
143.08519	2.0
145.10117	5.4
147.11700	37.4
149.13240	14.0
153.09102	7.1
159.11729	3.7
161.13269	17.6
163.14835	16.2
167.10730	3.0
173.13300	3.4
175.14839	14.6
177.16402	8.2
187.14816	4.1
189.16402	47.7
191.16214	4.0
191.17949	63.6
201.16331	5.9
203.17967	100.0
205.19563	10.7
207.17386	3.9
215.18001	2.8
217.19452	12.4
221.19057	3.9
231.17441	3.8
235.16927	5.3
249.18581	19.0
261.18628	2.7
261.95056	2.2
278.15695	2.0
393.35165	6.7
421.34253	2.2
439.35754	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70824	0.9
53.03932	1.2
55.05512	10.1
56.05844	1.0
57.07079	10.1
67.05506	24.4
67.31873	1.0
69.07069	18.8
71.08620	2.0
78.34030	0.8
78.94981	1.0
79.05142	1.1
79.05502	11.1
81.07060	79.1
83.08614	9.7
89.06021	1.5
91.05482	6.0
93.07048	11.4
93.87359	0.8
95.08612	100.0
97.10162	5.9
98.21534	2.2
105.07036	13.6
107.08592	13.1
109.10160	38.7
111.11734	2.3
116.07027	1.1
117.07017	2.8
119.08618	8.7
121.10159	8.8
123.11712	37.5
126.37334	1.0
129.07021	1.6
131.08583	7.3
133.10155	9.2
135.11693	7.1
137.13266	52.4
143.08580	4.2
145.10158	10.0
147.11699	7.5
149.13271	5.4
151.07512	1.0
151.14845	3.9
157.10162	6.2
159.11705	6.1
161.13277	3.8
163.14711	1.4
171.11684	7.7
173.13226	6.3
175.14857	5.1
177.16417	1.6
179.17966	9.4
183.11642	1.2
185.13342	4.9
187.14853	7.1
189.16325	3.1
191.10825	1.2
191.17957	2.4
199.14854	9.5
201.16388	6.3
203.17912	1.6
205.19539	1.3
213.16405	12.6
215.17944	8.4
217.12331	1.3
219.13690	1.2
225.16458	1.4
227.17912	3.6
229.15985	1.0
229.19614	1.3
241.19513	9.0
243.21091	6.8
245.15393	2.7
255.21088	6.1
257.22574	1.7
259.17035	7.3
261.18484	1.6
269.22699	5.0
287.20187	2.1
289.21487	1.2
323.27551	1.0
355.39377	1.1
393.35187	21.2
439.36011	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	439.3209
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03956	3.6
54.23718	2.1
54.41948	1.6
55.05518	11.0
56.76464	1.9
57.07078	1.9
57.08466	1.8
57.31720	1.6
67.05507	34.3
69.03416	3.4
69.07070	31.4
69.07426	3.6
69.41841	12.3
69.42249	2.7
71.04998	3.4
79.02253	2.1
79.05507	9.1
81.03418	5.2
81.07058	26.5
83.04999	10.6
83.08625	7.4
85.02900	2.4
85.06562	5.5
91.05488	17.9
93.07042	28.6
95.04969	7.8
95.08614	35.5
97.06544	15.8
97.10193	3.5
105.07031	27.1
107.08597	32.3
109.06541	6.8
109.08640	2.0
109.10161	29.6
113.06030	15.4
115.07558	2.8
117.07053	4.7
119.08583	31.2
121.06509	5.6
121.10145	30.5
123.08076	12.0
123.11690	7.2
125.09608	3.9
129.07028	4.2
131.08563	19.2
133.06429	2.0
133.10147	26.9
135.08067	4.2
135.11671	13.0
137.09645	6.9
142.07822	2.9
143.08560	9.5
145.10126	16.0
147.11674	14.5
149.09659	3.7
149.13277	5.7
151.11194	3.9
155.08577	6.5
156.09314	3.6
157.10135	13.3
158.10847	2.4
159.08093	4.0
159.11699	20.8
161.09641	4.0
161.13293	8.9
163.11214	2.5
163.14888	6.4
169.10208	7.1
171.11711	11.2
173.09615	2.8
173.13242	19.3
175.11172	5.2
175.14847	6.5
177.12773	4.6
177.16391	4.4
181.10155	2.9
182.10994	2.2
183.11737	6.7
185.13351	5.9
187.14873	11.7
189.12772	4.5
189.16389	14.2
191.14395	7.0
193.12239	6.6
195.11723	3.3
197.13283	6.2
199.14893	6.6
201.12746	9.4
201.16441	3.2
203.14366	5.4
205.15906	6.4
209.13376	4.0
211.13274	4.9
211.15038	4.1
213.16420	3.9
213.57758	2.2
215.14388	3.9
215.18033	2.5
217.12520	2.2
217.15892	4.8
219.13814	48.6
219.17375	3.7
221.15515	3.1
227.14279	4.5
229.15878	2.9
231.17528	3.5
233.15549	5.1
243.17464	2.5
247.16890	3.7
257.19153	4.5
269.19049	2.8
271.20822	2.6
283.20538	2.3
403.30127	4.7
409.31140	2.9
421.31021	25.4
439.27036	7.9
439.32144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.9
55.05511	26.9
57.03431	10.7
57.07070	5.9
62.69414	3.0
65.03938	4.0
67.05510	70.7
67.32959	4.0
69.07072	24.2
69.75531	3.8
71.10282	8.3
73.13123	4.1
77.03937	4.2
79.05489	31.4
81.03403	20.4
81.07062	62.7
83.05003	5.7
83.08643	16.6
85.02888	8.6
91.05495	35.6
93.07057	45.9
95.04942	13.3
95.08614	87.4
97.06539	16.6
97.10179	8.1
102.64041	4.2
105.07037	56.2
107.04970	4.3
107.08599	67.7
109.06517	4.7
109.10159	61.7
111.08090	25.7
112.51299	3.6
114.26637	4.5
117.07012	6.5
119.08592	73.6
121.06524	25.8
121.10154	56.4
123.08075	16.0
123.11721	12.5
125.09612	4.6
129.07014	4.9
131.08598	25.5
133.10152	51.4
135.08060	29.1
135.11716	22.8
137.09628	11.4
143.08559	12.3
145.10097	35.0
147.08054	29.6
147.11713	32.0
149.09601	10.2
149.13235	15.6
155.08577	5.2
157.10114	14.4
159.08102	7.6
159.11716	23.6
160.08777	3.7
161.09642	59.9
161.13240	34.3
163.11148	6.5
163.14851	20.2
169.10094	7.6
170.10872	8.7
171.11760	9.4
173.09619	5.9
173.11856	7.4
173.13286	17.2
175.11211	30.7
175.14807	30.8
177.12810	4.5
177.16399	44.9
183.11711	7.1
185.13240	23.4
187.11209	7.5
187.14856	41.5
189.12738	51.5
189.16385	46.6
191.14348	27.9
191.17986	40.0
193.12234	13.0
199.14919	7.5
201.12755	16.4
201.16443	22.6
203.14323	62.1
203.17885	20.6
205.15892	11.9
205.19641	4.8
207.17516	5.0
211.13292	12.5
213.16344	6.2
215.14296	38.7
215.17816	5.9
217.15894	19.0
219.17505	10.2
227.17982	4.0
229.15982	9.1
231.17499	5.8
243.17433	5.1
267.21042	6.0
269.18930	4.0
297.22009	9.9
375.30414	11.8
393.31528	100.0
394.31665	5.2
421.30969	11.7
439.26788	15.1
439.31903	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31328	4.1
53.03942	6.3
55.01867	5.9
55.05517	30.5
57.03426	4.9
65.03900	5.6
67.05192	5.9
67.05511	63.2
69.03438	7.0
69.07072	31.0
71.49557	5.8
79.05491	43.6
81.03414	14.9
81.07051	65.1
83.04963	4.9
83.08614	18.5
85.02917	7.3
91.05476	40.4
93.07043	47.7
95.04962	9.6
95.08607	93.7
97.06535	6.9
97.10162	13.7
105.07030	73.0
107.05012	5.7
107.08598	90.5
109.06558	9.4
109.10163	59.3
111.08094	8.8
117.06961	11.8
119.08585	100.0
121.06501	20.2
121.10139	51.1
123.08071	7.6
123.11700	13.4
128.06242	5.7
129.06963	8.3
131.08559	27.4
133.10130	69.9
135.08086	22.6
135.11693	26.3
137.09634	22.3
137.13303	6.5
141.06987	8.4
143.08527	12.9
145.10159	36.0
147.08076	33.9
147.11687	42.1
149.09700	7.2
149.13275	19.7
155.08627	5.8
157.10121	19.7
159.11693	32.0
161.09624	95.4
161.13264	55.4
163.11162	5.4
163.14848	34.7
169.10065	6.7
170.10924	6.1
171.11722	11.4
173.09666	6.1
173.11870	6.8
173.13246	31.6
175.11157	20.0
175.14815	37.1
177.16362	19.7
179.14311	6.5
183.11633	6.4
183.87759	4.7
185.13269	33.1
187.11256	5.0
187.14839	43.4
189.12732	58.7
189.16370	35.6
191.14247	17.2
191.17932	13.3
193.12225	9.5
199.14748	9.6
201.12694	7.7
201.16409	22.6
203.14299	19.2
203.17970	85.2
205.15924	7.1
205.19667	5.0
207.13765	26.3
209.13303	5.9
211.13167	9.2
213.12508	7.0
213.16316	12.7
215.14314	25.2
215.17847	10.0
217.15836	7.2
219.21140	6.9
221.90620	4.9
227.17947	6.0
233.15280	5.6
236.21324	4.8
249.18573	8.0
251.17845	4.9
322.83893	4.9
367.17947	10.9
375.30505	9.9
393.31497	49.9
411.32523	18.5
421.30704	22.6
439.26740	18.5
439.31937	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01859	3.0
55.05517	13.4
57.03445	6.5
57.07067	1.2
59.04998	5.7
65.03931	4.2
67.05509	100.0
68.07445	1.1
69.03428	3.8
69.07059	5.8
71.05003	6.1
77.03896	1.0
79.05498	18.3
81.03423	35.0
81.07060	32.0
83.04980	9.8
83.08625	18.1
85.02903	19.4
85.06549	5.0
87.97183	1.3
91.05479	20.5
93.07040	14.2
93.54584	1.1
95.04977	15.2
95.08609	10.3
97.02911	3.2
97.06544	1.7
97.10210	2.3
98.21539	2.1
99.08079	1.2
105.07037	13.2
107.04962	3.1
107.08601	7.8
109.06525	3.2
109.10164	64.8
111.04472	1.4
111.08077	11.7
113.05997	1.9
117.07026	1.4
119.08600	17.0
120.08110	1.0
121.06559	1.3
121.10153	9.6
123.08100	2.7
123.11705	2.8
125.09659	1.8
129.06998	5.4
131.08598	6.5
133.10107	8.4
137.09686	5.5
145.10138	1.7
147.08064	2.0
147.11716	8.2
149.09625	3.9
155.10646	7.6
157.10155	8.0
161.09711	1.2
161.13283	1.7
165.09204	1.1
165.12743	2.1
173.11742	17.3
173.13184	1.5
175.11211	9.1
175.14851	3.0
193.12259	35.3
211.13289	36.3
229.14375	2.0
236.47870	1.1
267.15961	2.2
270.12521	1.3
277.21741	4.9
310.54999	1.1
421.25873	2.6
439.27029	47.3
440.27344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.01860	1.4
55.05509	16.2
57.03443	6.6
57.07075	2.2
59.05009	4.4
65.03944	2.3
66.99310	0.7
67.05506	100.0
69.03432	3.0
69.07073	5.4
69.13171	7.8
71.05003	5.2
79.05496	15.1
79.58386	0.6
80.20624	0.6
81.03420	31.2
81.07059	27.2
83.04990	8.0
83.08623	15.7
85.02909	16.8
85.06552	3.2
87.04488	0.8
91.05486	21.4
93.07050	11.7
95.04975	15.6
95.08608	11.6
97.02897	1.3
97.06543	2.5
97.10178	3.8
99.04421	0.9
99.08119	1.4
105.07038	14.0
107.04976	2.5
107.08589	7.2
109.06536	2.9
109.10160	67.9
110.10513	1.1
111.04485	1.8
111.08079	9.3
113.06006	2.2
115.05447	1.0
117.07045	1.6
119.08593	17.2
121.06538	0.7
121.10149	6.8
123.08072	2.1
123.11728	1.2
125.06103	1.2
125.09662	1.7
127.03899	0.8
129.07014	4.1
131.08578	7.2
133.06516	0.9
133.10127	6.8
135.08086	1.3
135.11690	1.5
136.88480	0.7
137.05928	0.7
137.09680	3.6
138.57483	0.6
142.07742	1.6
143.07484	0.7
145.10162	2.2
147.08061	1.1
147.11693	9.7
149.09607	4.2
149.13321	1.0
151.07607	0.8
151.11214	1.0
152.46866	0.7
155.08665	0.8
155.10663	5.4
157.10139	7.5
159.11705	1.9
161.09637	0.9
161.13257	1.0
163.11171	0.8
165.12807	2.2
171.11777	0.9
173.11751	18.0
173.13193	1.4
175.11197	9.7
185.13304	0.9
187.14845	1.5
193.12251	32.3
201.16357	1.3
211.13295	34.7
212.13718	0.7
218.09869	0.7
229.14365	1.6
267.16013	2.1
361.87640	0.8
421.26184	1.7
421.30981	1.3
439.26932	53.3
440.27515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01868	1.9
55.05272	1.1
55.05515	16.0
57.03445	8.0
59.05009	5.5
65.03933	2.6
67.05509	100.0
68.05827	1.1
69.03419	3.5
69.07080	4.3
71.02033	0.8
71.04990	5.5
79.05077	1.1
79.05500	13.8
81.03423	31.5
81.06595	1.6
81.07062	25.5
83.04992	6.6
83.08618	14.1
85.02448	1.3
85.02912	18.3
85.06537	3.8
91.05490	18.4
93.07056	12.1
95.04966	14.2
95.08605	8.1
97.02905	1.8
97.06527	2.3
97.10149	1.6
98.21500	1.5
105.07023	10.1
107.04948	2.6
107.08640	5.1
109.06504	2.1
109.10165	61.9
110.10533	0.9
111.04494	1.2
111.08093	8.8
113.06055	2.0
117.07017	1.5
119.08588	13.0
121.06494	1.0
121.10163	4.7
123.03142	0.9
125.09640	1.4
129.07016	7.0
131.08574	5.6
133.06555	1.2
133.10158	5.2
137.09621	3.6
142.07803	1.3
145.10106	1.1
147.08095	1.5
147.11690	7.5
149.09628	2.9
155.10680	8.2
157.10133	6.2
173.11763	14.7
175.11209	7.7
193.12254	32.7
194.00830	0.9
211.13310	32.5
229.14380	1.8
267.15964	2.2
421.26007	1.7
439.26968	50.5
440.27185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.2
57.03438	5.7
58.65924	3.1
59.05004	5.6
64.34882	3.1
65.03922	4.4
67.05507	100.0
69.03423	9.3
69.07059	14.2
71.04987	5.6
71.11078	7.2
76.75038	4.1
78.06114	3.0
79.05492	19.3
81.03411	27.6
81.07054	42.8
83.04978	16.4
83.08613	19.0
85.02907	20.2
85.06551	6.1
90.47154	3.3
91.05481	33.4
93.07054	29.7
95.04955	15.6
95.08611	22.9
97.02934	3.8
97.06537	9.4
97.10197	5.1
99.04429	3.6
105.07045	23.7
107.04952	4.3
107.08596	19.7
109.06516	7.3
109.09481	5.2
109.10162	69.1
111.08073	10.4
113.09630	4.4
119.08584	32.0
121.06492	3.8
121.10140	23.1
121.82947	3.2
123.11698	3.7
125.09572	3.9
129.07010	7.5
131.08569	10.8
131.73145	2.9
133.10136	39.8
135.11673	5.7
137.09605	29.5
143.08540	5.5
145.10101	10.2
147.08025	5.2
147.11676	14.5
149.09641	5.5
149.13193	3.6
151.11162	7.3
155.10648	4.6
157.10133	8.1
159.11647	5.5
161.09566	5.0
161.13289	4.4
165.12675	3.6
171.11642	4.0
171.70895	3.2
173.11760	8.9
173.13205	6.9
175.11147	9.2
175.14899	15.7
182.73129	3.1
185.13257	5.8
193.12209	28.3
203.14395	5.2
211.13303	28.0
250.44589	3.7
254.88565	3.0
259.20587	19.9
277.21649	54.9
322.87808	3.3
324.61850	3.7
421.25842	3.9
439.26913	41.5
439.32159	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	1.8
55.05512	14.5
56.30270	0.9
57.03442	6.8
57.07087	1.3
59.04999	3.4
65.03941	3.7
66.32304	0.9
67.05508	100.0
69.03433	2.8
69.07068	6.9
69.85065	1.0
70.81025	2.0
71.05000	5.4
79.02647	0.9
79.05495	14.3
81.03425	30.3
81.07061	32.4
81.07537	1.9
83.04997	4.1
83.08622	16.9
85.02435	1.6
85.02911	18.3
85.06548	3.6
91.05489	23.7
93.07050	15.6
95.04980	15.0
95.08614	13.5
97.02900	1.3
97.06532	2.4
97.10153	1.4
99.08101	1.2
105.07039	15.8
107.04985	2.5
107.08599	9.8
109.06521	4.6
109.10162	67.1
110.10516	1.1
111.08093	10.3
113.06023	1.6
116.34972	1.0
117.07025	2.2
119.08588	18.9
121.06509	1.2
121.10132	8.3
121.96114	1.0
123.08087	3.7
123.11703	2.1
125.09676	1.1
129.06999	5.0
131.08589	8.6
133.06468	2.2
133.10139	8.5
135.11707	2.4
137.09634	3.5
142.07770	1.5
143.08582	1.5
145.10126	2.3
147.08038	2.9
147.11697	8.3
147.20970	0.9
149.09648	3.9
149.13246	1.9
155.10677	5.6
157.10173	8.1
159.11714	2.7
161.09561	1.1
161.13239	1.4
163.11209	1.1
163.14888	1.1
165.12801	2.3
171.11771	1.3
173.11768	17.5
173.13271	2.7
175.11200	9.1
175.14816	1.3
177.16307	0.9
183.11885	1.3
185.13277	1.5
187.14842	2.1
189.16417	1.8
191.14388	2.1
193.12257	35.1
199.14876	1.8
201.12909	0.9
203.14375	1.8
205.15985	0.9
207.17487	4.0
211.13304	37.6
217.12212	5.7
229.14304	1.1
253.59717	0.9
267.15912	1.8
393.31604	2.4
397.87869	0.9
421.26105	1.4
421.31155	1.9
439.26944	48.0
439.32312	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	439.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03951	6.6
55.01861	2.2
61.02917	1.5
65.03944	2.6
67.05506	4.4
69.41850	5.2
71.01352	1.5
77.03931	1.5
79.05488	2.6
81.03408	1.8
91.05486	1.9
95.04975	59.6
105.04514	3.6
107.04965	3.1
108.02077	2.2
111.04454	1.0
123.04439	68.7
125.02336	1.5
125.05970	1.8
127.07562	1.1
133.02902	1.0
135.04446	4.2
137.05957	1.5
140.04695	19.9
141.05484	1.7
147.04387	2.7
149.06001	2.3
151.03918	28.9
151.05008	1.6
151.07416	0.9
153.01915	1.2
153.05467	2.4
155.05777	2.0
155.07047	40.0
161.06042	1.2
163.03876	2.7
165.05434	3.1
167.07047	20.3
177.05482	3.3
178.06317	3.0
179.07069	2.6
183.06543	100.0
184.06789	0.9
187.59596	0.9
193.04922	1.4
195.06569	6.1
196.07248	2.5
225.07570	14.9
227.09193	0.9
263.42545	0.8
329.10226	1.1
399.09512	0.9
439.16263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.5
53.03949	2.6
55.05520	13.0
57.07084	9.6
60.10792	1.3
63.76775	1.6
65.03940	2.0
67.05515	23.2
69.07075	22.9
71.08635	3.0
71.49316	1.5
73.14226	1.6
79.05099	1.9
79.05491	12.3
81.06591	3.2
81.07063	61.1
83.08633	11.9
91.05486	11.0
93.07050	26.0
95.05002	2.8
95.08613	86.1
97.10193	4.4
98.65885	1.4
100.41113	1.6
105.07040	26.5
106.39890	1.4
107.08604	41.2
109.10166	40.3
111.11727	1.8
117.07040	3.4
119.08594	51.8
121.06530	2.2
121.10149	32.8
123.11716	18.4
129.07004	2.1
131.08577	17.0
133.08681	2.2
133.10139	26.6
135.11700	17.4
137.13255	14.9
139.07570	1.9
141.98259	1.5
143.08543	9.8
144.09340	2.0
145.10135	45.0
147.11694	21.6
149.13278	17.8
151.14801	7.6
153.09167	2.5
155.08621	3.6
156.09358	2.6
157.10167	9.4
159.11702	24.3
161.13252	18.1
163.14848	15.8
169.10196	6.6
170.10953	1.7
171.11681	17.0
173.09546	1.6
173.13284	20.5
175.14839	28.2
177.09077	2.6
177.16443	9.7
183.11710	5.1
185.11755	1.6
185.13205	7.8
187.14867	12.3
189.16418	28.6
191.17969	17.5
193.15932	1.8
197.13310	5.0
199.14848	11.3
201.16402	38.9
203.17964	25.7
205.19527	2.4
211.14807	3.8
212.15688	2.1
213.16426	13.5
215.17992	19.4
217.19563	8.2
221.15436	4.0
223.14842	2.1
225.16415	4.7
227.17909	7.6
229.19582	8.7
233.15366	2.2
235.16965	1.7
237.16451	2.2
239.17992	13.1
241.19522	20.0
243.21121	13.6
245.15349	2.7
247.16998	6.8
251.17963	1.9
253.19525	7.5
255.21175	5.2
259.16995	4.0
259.20483	2.5
267.20923	7.3
269.22675	2.9
271.17194	1.8
273.18845	2.5
281.22711	4.4
285.18481	11.9
287.20099	5.3
289.21368	1.6
295.24237	6.4
299.20093	6.3
307.24158	1.8
309.25876	1.9
313.21725	4.4
321.25867	2.7
335.27286	6.6
339.23056	2.4
353.24738	2.0
367.26468	2.4
391.33603	30.7
403.42139	1.7
437.34229	100.0
438.34415	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05509	8.9
57.07067	4.0
61.17079	1.1
66.38511	1.1
67.05178	1.5
67.05505	12.1
69.07069	13.2
79.05505	10.0
79.05930	1.5
81.07061	24.6
83.04974	1.1
83.08614	8.4
91.05470	11.5
93.06493	1.4
93.07049	22.7
95.08611	42.1
97.10170	1.4
97.65485	0.9
105.07034	34.3
107.07879	2.3
107.08594	38.9
109.10162	19.8
112.45748	1.1
117.07043	5.7
119.08585	60.8
121.10142	32.3
121.10850	0.8
121.11021	1.4
123.11699	12.5
129.07019	2.1
131.08557	16.0
133.10133	41.4
135.11682	17.0
137.13239	4.4
143.08577	4.0
144.09349	2.1
145.09064	2.2
145.10121	28.6
146.10919	1.7
147.11688	32.0
149.13239	10.1
151.14740	1.4
153.09097	3.2
157.10144	6.0
158.10840	2.2
159.11702	29.2
160.12418	2.5
161.13269	21.6
163.14847	8.3
167.10739	1.2
171.11719	4.0
173.13266	16.1
175.14830	26.1
177.16383	17.5
179.10732	2.0
183.11670	1.7
185.13255	4.2
187.14818	9.9
189.16382	58.9
191.17937	9.4
193.15967	2.0
197.13246	2.1
199.14932	5.2
201.16388	51.2
203.17960	64.2
204.18323	1.5
207.17535	1.9
211.14827	1.2
213.16460	7.3
215.17960	27.9
217.19513	5.4
221.15421	1.9
221.19174	1.2
225.16409	2.4
227.17921	4.3
229.19467	6.8
235.16870	3.4
239.18097	1.4
241.19530	5.4
243.21088	6.9
247.16919	6.0
249.18468	3.0
253.19586	2.4
255.21094	3.6
259.16977	2.5
261.18497	4.4
267.20920	1.4
269.22604	2.9
281.22504	1.7
285.18442	1.9
287.20032	2.4
299.20206	2.1
301.21527	2.0
315.23172	2.1
321.26071	1.7
327.23230	1.8
335.27325	2.1
391.33627	18.0
394.28699	2.8
437.34146	100.0
438.34433	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
54.23797	0.8
55.01879	6.8
55.05515	19.9
57.03446	4.2
57.07070	1.7
59.05000	6.4
65.03925	2.3
67.05508	100.0
68.05817	1.4
69.03418	2.3
69.07071	4.8
71.05005	4.4
73.85460	0.7
77.03903	0.9
79.05495	19.9
81.03416	8.6
81.06596	1.2
81.07059	23.2
83.01347	5.3
83.04988	8.5
83.08617	10.7
85.02893	2.9
85.06532	2.5
88.07585	0.8
91.05486	17.8
93.07047	20.1
95.04967	5.9
95.08608	12.5
97.02895	1.7
97.06517	4.0
97.10149	1.5
98.20797	1.8
99.04436	2.1
99.08048	1.1
105.04516	1.0
105.07051	8.1
107.04978	4.1
107.08612	10.9
109.06536	4.2
109.10160	68.7
110.10499	1.2
111.04443	1.9
111.08043	4.7
113.05995	0.8
115.05473	0.9
117.07027	5.7
119.07722	0.8
119.08585	14.5
121.06530	2.0
121.10154	6.7
123.08068	5.1
125.06001	2.2
125.09653	1.7
130.07758	1.3
131.08551	3.2
133.10109	2.2
135.08040	2.2
135.11702	8.2
137.09579	5.9
145.10124	12.0
147.08046	1.8
147.11592	1.0
149.09572	0.9
153.12727	3.8
154.97998	0.9
155.08598	1.2
155.10664	6.5
159.97997	0.8
163.11186	17.7
173.09538	2.3
173.11752	19.2
175.14766	1.5
181.12273	3.3
187.14919	1.5
191.10689	2.2
207.06540	1.5
209.11751	6.7
227.12766	2.9
270.44229	0.8
437.25348	40.9
437.30463	2.4
438.25586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.6
55.05501	7.5
61.46361	1.7
66.72946	1.8
67.05514	14.5
69.07069	13.1
70.11378	7.9
73.24610	1.8
79.05483	10.3
81.07059	22.8
83.08629	5.3
91.05483	8.2
93.07034	18.3
95.08607	40.7
97.10181	5.6
98.20953	4.3
105.07026	33.6
107.08598	31.4
109.10160	26.0
117.07018	5.1
119.08583	58.0
121.10143	26.9
123.11674	9.5
129.07050	2.5
130.07721	2.0
131.08582	15.7
133.09129	4.1
133.10123	47.0
134.29666	2.0
135.11693	18.4
137.13278	6.1
143.08598	4.2
144.09357	3.6
145.10127	26.8
147.11710	32.1
149.13281	10.0
153.09149	4.6
157.10132	4.9
158.10834	2.0
159.11688	40.5
161.13254	22.1
163.14827	7.8
171.11702	5.3
173.13269	17.3
175.14821	22.1
177.16408	23.8
185.13300	4.6
187.14845	14.7
189.16388	94.9
190.16762	2.2
191.18008	7.8
199.14871	7.9
201.16396	58.7
203.17966	64.4
203.19781	4.2
213.16426	12.4
215.17973	22.3
217.15839	2.1
217.19508	2.7
227.17931	2.0
229.19577	6.7
231.17555	2.2
235.16997	5.6
241.19601	2.4
243.21141	5.7
247.16971	5.2
249.18614	7.7
255.21048	4.5
259.17038	4.0
261.18634	2.1
335.27109	1.9
391.33563	13.5
395.29498	2.1
437.34180	100.0
438.34589	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76845	0.8
53.03935	1.9
55.01873	6.3
55.05514	16.9
57.03447	4.3
57.07061	1.8
59.05012	5.1
60.43224	0.9
65.03935	2.8
67.05508	100.0
69.03428	1.4
69.07053	3.5
71.01358	1.0
71.05001	5.5
74.03428	0.8
77.70385	0.8
79.05495	17.2
81.03410	7.8
81.07060	24.9
83.01334	5.0
83.04986	9.1
83.08623	11.9
85.02911	1.8
85.06548	2.1
91.05482	16.4
93.07046	18.7
95.04967	5.4
95.08617	9.3
97.02916	1.6
97.06526	2.8
97.10163	1.7
99.04459	1.8
103.05508	0.9
105.07044	6.7
107.04959	5.9
107.08589	9.5
109.06519	3.9
109.10159	70.9
110.10537	1.1
111.04408	2.6
111.08074	3.5
117.07041	6.5
119.08591	8.4
119.09383	1.1
121.06517	2.9
121.10164	6.5
121.63091	0.8
123.08069	4.1
125.06016	1.3
125.09628	1.8
129.07034	1.9
131.08594	2.3
133.10153	2.2
135.08052	1.5
135.11694	9.3
137.09621	4.0
145.06412	1.0
145.10132	11.2
147.08022	1.8
149.09610	0.9
153.12750	1.7
155.08530	1.5
155.10667	11.4
163.11182	21.3
173.09567	2.2
173.11751	15.5
181.12210	3.1
191.10622	2.3
209.11723	5.5
227.12718	4.3
244.88451	1.0
268.73502	0.9
275.20041	1.4
299.78473	0.8
340.05917	1.0
437.25363	49.7
438.25687	1.5
440.94083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10271	0.4
59.60166	0.4
63.02359	0.7
64.93089	0.4
65.03939	0.6
67.05500	0.8
79.05501	1.7
83.04964	0.5
89.03915	12.1
95.04948	1.1
101.00877	3.4
104.30628	0.5
107.04979	3.5
113.00872	0.5
115.02348	0.4
117.03385	16.4
119.01926	2.9
121.02855	1.3
127.02449	0.9
127.12032	0.5
131.01903	0.7
135.04414	25.5
139.02386	0.6
143.01939	1.3
145.02805	19.0
151.02394	0.5
155.01860	1.0
157.03441	0.9
161.02887	0.5
163.03903	100.0
164.04234	0.9
169.03520	3.1
171.05025	1.4
173.02946	0.9
185.00780	2.0
185.02965	2.6
187.04506	2.4
191.01843	0.6
193.03516	1.5
195.05026	1.4
197.02957	1.3
203.01889	5.9
209.02972	1.0
211.04562	1.0
215.04048	1.3
221.02953	47.7
222.03342	0.9
229.05614	1.7
239.03995	5.7
243.05075	0.8
245.02942	1.0
245.05132	2.2
247.04562	1.1
257.05045	3.2
259.04477	0.8
263.03891	3.2
263.06128	0.4
271.04501	16.3
272.04651	0.8
273.06049	2.3
275.06128	5.6
277.05606	0.7
281.05011	1.1
287.04013	2.4
287.07248	0.7
289.05585	6.7
293.07037	0.9
295.04492	1.1
297.02673	0.5
297.05988	1.2
299.03928	6.3
305.05182	1.1
307.06516	0.7
313.05521	2.6
315.03442	1.5
315.07062	0.9
317.05142	1.3
323.04019	1.5
331.06635	6.0
333.04547	0.7
335.06107	0.5
341.05035	1.8
349.07721	5.3
359.06116	3.0
367.08548	0.7
377.07169	44.1
378.07431	1.4
392.53397	0.6
395.08215	7.9
418.09402	0.7
419.08371	1.2
437.09320	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.6
54.57282	1.1
55.01875	7.3
55.05512	19.9
57.03444	5.0
57.04174	0.9
57.07069	1.8
59.05010	5.8
64.54886	0.9
65.03923	3.7
67.05508	100.0
68.05833	2.1
69.03421	3.0
69.07070	5.5
69.70096	6.0
71.04996	6.2
72.00735	0.9
79.05494	20.1
81.03428	9.0
81.07061	27.8
83.01327	4.7
83.04984	9.4
83.08629	14.3
85.02898	2.5
85.06536	3.7
91.05486	18.2
93.07049	22.9
95.04932	4.8
95.08604	13.4
97.02914	2.4
97.06537	4.6
97.10133	1.4
98.21471	1.9
99.08067	1.4
103.05502	1.2
105.07037	10.5
107.04971	7.0
107.08594	12.7
109.02844	1.1
109.06516	4.4
109.10158	74.7
110.10483	1.3
111.04437	2.5
111.08078	3.7
117.07023	8.0
119.08582	13.6
121.06505	3.9
121.10155	5.5
123.08080	6.5
125.09624	1.9
127.03950	1.1
129.07024	1.5
131.08603	5.3
133.10106	4.1
135.08046	2.7
135.11693	11.2
137.09610	4.3
143.08554	1.5
145.10127	11.0
147.08052	2.2
147.11678	1.8
149.09624	1.9
151.11191	1.0
153.12740	3.0
155.10678	8.7
159.11694	2.0
163.11180	22.7
171.11655	1.1
173.09572	2.7
173.11758	19.9
173.13223	2.0
181.12234	4.5
191.10645	2.8
209.11670	5.1
227.12781	6.6
242.56282	1.0
275.20059	2.8
405.67465	1.1
434.23651	1.2
437.25317	47.2
437.30121	2.2
438.25275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57950	2.0
71.05002	10.9
71.41370	3.2
73.06577	2.8
81.07059	15.5
85.02896	2.3
93.07059	9.3
105.01846	3.0
107.08590	8.1
135.11703	17.1
153.12761	100.0
185.40541	1.9
235.39322	2.1
371.12976	2.7
372.32892	2.2
405.74014	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	17.5
57.81208	15.0
65.03921	19.5
67.05506	31.7
69.07069	23.1
69.62975	100.0
79.05495	33.4
81.07041	60.1
85.02868	18.8
91.05474	19.9
93.07036	45.5
95.08612	33.7
98.21497	35.2
105.07022	48.3
107.08566	23.6
109.10146	25.4
119.08578	37.5
120.44745	17.0
122.16890	16.5
123.04453	29.6
133.10071	23.9
135.11682	51.0
137.05989	22.9
143.85081	17.1
144.08034	21.3
147.11668	18.9
167.07011	49.5
168.07423	27.6
171.94662	18.1
181.04990	66.4
182.05338	23.0
203.17964	53.3
221.18999	22.8
233.08046	32.3
234.08371	21.9
263.17487	31.2
418.15717	29.7
436.27817	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	437.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75906	0.4
66.96893	0.5
67.05496	0.7
71.03271	1.2
79.05479	1.4
82.54764	0.4
83.04988	0.4
89.03916	11.8
94.47598	0.5
95.04956	1.4
96.68681	0.4
101.00884	3.0
107.04956	4.0
111.04490	0.5
117.03382	15.4
117.69518	0.5
119.01900	2.4
121.02859	1.3
127.02414	1.1
130.35413	0.4
135.04416	25.0
137.02910	0.4
145.02817	18.8
153.58931	0.5
157.03519	1.1
163.03903	100.0
164.04230	1.6
169.03452	3.1
169.04852	0.7
171.05014	0.8
185.00958	1.9
185.02930	1.2
187.04553	2.2
193.03500	1.0
195.05095	0.9
203.01910	7.0
209.02945	0.6
215.03944	0.7
221.02954	49.4
222.03159	1.9
229.05594	1.7
239.04008	3.9
243.05191	0.5
244.04454	0.6
245.03012	2.1
247.04497	1.7
247.06789	0.6
257.05029	2.1
259.04449	1.2
263.04099	3.1
269.03018	0.8
271.04504	19.7
273.06100	2.5
275.06058	4.7
285.06049	0.8
287.04074	3.4
289.05597	6.3
293.07101	0.7
294.57257	0.4
295.04431	1.5
297.02921	0.5
297.05945	2.2
299.03992	7.4
307.06863	0.8
313.05548	2.4
315.03491	1.3
315.07028	1.0
317.05072	1.8
323.03970	1.9
331.06650	6.6
341.04984	1.9
349.07657	5.3
359.06155	2.5
367.08826	0.5
377.07169	46.0
378.07498	1.9
395.08255	5.4
419.08405	0.5
437.09320	8.1
438.09476	0.5
455.10522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.347
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01857	1.1
55.05494	0.6
57.07075	0.5
58.69146	0.3
65.03930	0.4
67.05482	1.3
67.05795	0.3
69.07049	1.3
71.04993	0.4
71.10690	0.3
71.50069	0.5
79.05479	1.3
81.07048	1.0
81.26132	0.3
83.04980	0.5
83.08614	0.6
85.06529	0.3
91.05489	0.8
93.07023	1.4
95.08612	1.1
99.00798	0.8
99.04462	3.7
105.07027	0.8
107.04998	0.4
107.08553	0.6
109.06533	1.5
109.10154	0.7
111.04453	3.2
117.07027	0.4
119.08574	0.7
121.10122	1.0
125.05073	0.5
125.05995	10.8
131.08531	0.7
135.08054	0.4
135.11691	0.4
141.05460	5.7
143.08549	0.4
145.10123	0.6
153.05473	100.0
154.05844	1.2
167.07133	0.3
171.11691	0.6
183.11823	0.4
209.13402	0.4
417.33646	11.8
418.33881	0.7
432.19028	0.3
435.34760	25.9
436.35178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3261
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03944	3.6
55.05510	9.0
57.07062	2.2
65.03934	2.1
67.05508	35.7
69.07072	13.1
70.02128	4.6
71.04967	1.6
79.05495	18.4
81.03420	2.0
81.06594	1.6
81.07060	27.7
83.04984	3.4
83.08630	7.2
85.06505	1.4
91.05483	21.9
93.07044	30.5
95.04963	3.6
95.08613	34.9
97.10161	1.4
98.20834	1.2
103.05465	1.6
105.07038	33.5
107.04942	1.1
107.07884	2.6
107.08603	41.2
109.06553	3.6
109.10164	32.0
111.08089	2.1
117.07041	7.9
119.08588	55.4
121.06506	1.2
121.10146	18.6
123.08040	1.5
123.11737	5.5
128.06261	2.0
129.06996	8.0
130.07755	2.0
131.08588	16.3
133.10135	34.5
135.11693	9.6
142.07790	4.9
143.08583	11.5
144.09363	4.6
145.10133	32.3
147.11707	19.8
149.13243	6.1
153.09096	2.5
155.08566	2.4
155.10646	1.3
156.09380	4.1
157.10129	19.8
158.10884	3.1
159.11713	45.3
161.13277	14.1
163.14828	8.5
169.10147	5.5
170.10970	3.0
171.11700	20.1
172.12448	2.3
173.11812	2.4
173.13260	23.2
175.14822	26.9
177.16394	6.2
183.11729	4.6
184.12474	3.2
185.13245	10.6
187.14838	23.0
189.16385	27.0
191.17914	2.6
195.11688	2.7
196.12558	1.6
197.13266	6.0
198.14101	3.0
199.14821	30.4
199.16603	1.7
200.15340	1.3
201.16389	58.9
203.17969	8.9
207.13834	4.2
209.13338	2.6
211.14835	3.4
213.16402	38.6
215.17972	15.4
217.15988	2.3
217.19467	3.3
223.14832	2.9
225.16423	3.6
227.17973	7.9
229.19586	3.2
231.17609	1.3
235.16994	1.8
237.16455	2.9
239.18004	1.7
241.19594	4.6
243.21103	2.4
245.15385	2.3
247.17076	1.3
251.18076	3.1
253.19553	4.1
255.21126	1.6
259.16971	2.9
261.18539	2.5
265.19534	5.2
267.21143	2.8
277.19492	1.3
279.21069	1.8
281.22650	2.6
285.18533	2.1
293.22656	2.4
295.24228	2.2
299.19995	1.2
319.24252	2.2
325.21637	1.8
327.23132	2.0
341.24408	2.1
353.24741	2.1
379.26190	1.3
389.32065	25.7
389.36932	1.8
407.33270	6.0
417.31723	2.7
435.27570	7.2
435.32645	100.0
436.33005	4.1
446.85077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01877	1.6
55.05510	8.5
56.34995	1.3
56.39197	1.4
57.03446	1.4
57.07066	5.1
59.05002	2.4
65.03951	1.6
67.05508	18.9
69.03410	3.5
69.07059	4.4
70.00174	5.8
71.04981	6.1
79.05499	12.6
81.07062	22.6
83.04971	3.7
83.08604	4.0
85.06548	2.6
91.05480	21.8
93.07045	23.9
95.04946	8.1
95.08609	19.6
97.06521	3.3
98.98464	3.4
103.05506	1.9
105.07037	32.2
106.07788	1.9
107.08601	18.8
109.06521	100.0
109.10140	6.4
111.08097	6.9
115.05469	4.6
116.06255	1.9
117.07028	7.8
119.08587	24.2
120.18081	1.5
121.06510	5.4
121.10142	9.7
123.08079	18.1
123.11696	2.8
123.42070	1.5
125.05976	1.9
128.06203	5.2
129.07004	5.8
130.07800	2.6
131.08571	16.6
132.09396	1.6
133.06471	3.7
133.10144	17.8
135.08073	13.5
135.11685	2.3
137.09612	5.9
139.07628	1.7
141.06978	4.1
142.07759	7.5
143.08560	18.3
144.09320	2.2
145.10112	16.5
147.08022	7.3
147.11697	5.8
149.09631	5.7
151.06418	1.3
151.07556	25.0
151.11195	1.5
153.07045	2.6
154.07826	1.6
155.08580	9.6
156.09312	5.5
156.74651	1.4
157.10149	20.8
158.10847	2.1
159.08064	3.2
159.11705	8.1
161.09563	7.5
161.13252	3.8
163.11186	5.9
165.07057	2.8
165.09135	8.7
167.08563	3.8
168.09274	2.9
169.10104	10.6
170.10809	1.8
171.11694	13.3
173.09674	3.0
173.13272	4.9
175.11261	2.1
175.14911	2.0
177.09070	3.3
179.08630	2.5
180.09163	1.5
181.10133	4.4
181.12273	4.0
182.10915	4.2
183.11697	11.4
184.12265	1.4
185.09624	4.7
185.13222	6.4
187.11128	3.9
189.12700	9.2
191.14291	4.2
193.10201	2.7
193.12370	2.1
195.11711	6.4
197.13246	11.7
199.11133	3.0
199.14824	2.4
201.12755	2.9
203.14349	4.7
207.11867	3.1
207.13812	7.2
209.13220	5.0
209.15158	1.8
211.11288	1.7
211.14844	5.0
212.15585	2.2
213.12689	2.9
213.16438	4.0
214.64423	1.3
215.14352	3.8
221.13377	2.9
221.15350	14.4
225.12770	1.9
227.14258	5.8
229.07486	3.8
233.15291	2.1
237.16483	2.3
247.08560	1.3
253.15765	1.5
255.17529	9.7
268.18137	2.1
271.16934	2.9
285.18658	1.6
286.19284	11.4
300.20996	2.2
312.20847	2.8
337.27322	5.9
343.22531	2.2
389.96118	1.5
417.27835	5.7
435.28564	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2747
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.04790	1.1
51.02374	1.1
53.03960	7.0
54.50250	1.1
55.01876	2.1
55.05270	1.6
55.05516	22.6
57.03447	9.9
57.07074	1.6
59.04986	3.1
60.09697	0.9
65.03933	4.6
67.05511	100.0
67.44173	1.0
69.03429	1.7
69.07072	15.5
70.53407	3.3
70.55717	0.9
71.01348	4.4
71.05004	5.2
77.03923	1.1
79.05500	59.6
81.03428	7.6
81.06596	2.1
81.07063	41.3
83.04990	11.6
83.08640	8.1
85.02876	0.9
85.06541	4.8
91.05490	36.4
93.07052	62.9
95.04974	10.7
95.08612	17.5
97.02878	1.3
97.06541	10.9
97.10181	8.7
99.04451	1.7
99.08112	1.6
105.04517	1.6
105.07037	17.3
107.04971	4.8
107.07880	2.2
107.08607	35.9
109.06535	3.5
109.10165	36.6
111.08138	2.8
115.05532	1.7
117.07018	7.3
119.08595	14.5
121.06535	2.0
121.10112	6.8
123.08047	2.3
123.68833	1.1
125.09594	1.7
128.06201	1.1
129.07011	6.0
131.08595	3.0
133.10133	9.2
135.08038	2.1
135.11703	52.5
137.09605	2.6
143.08600	4.7
145.10149	11.7
147.08066	1.6
147.11690	10.0
153.12738	2.5
155.10686	1.5
157.10164	2.4
158.15269	1.0
159.11702	1.3
161.09616	1.9
161.13297	4.0
163.11201	8.2
168.94769	1.0
169.10109	1.2
170.09607	1.2
171.11729	8.4
173.11794	8.3
173.13210	1.8
174.64978	1.1
181.12296	10.4
189.12773	4.2
193.12190	1.1
199.13358	1.8
207.13829	7.9
225.14915	1.4
257.93103	1.2
263.16580	1.2
343.22906	2.5
417.26569	2.1
435.21570	2.6
435.27509	49.4
435.32639	2.9
436.27829	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
54.31790	1.2
55.01858	1.3
65.03954	10.2
67.05504	2.3
69.03423	4.1
69.39019	12.1
79.05493	11.0
81.03410	4.3
81.07062	4.8
82.04189	2.2
85.02893	4.6
85.16081	1.7
91.05496	5.2
93.03403	2.6
93.07063	2.1
95.04961	1.5
97.06557	2.8
98.20789	3.0
103.05449	1.8
105.07023	2.4
106.04177	3.3
107.04973	19.7
109.06525	1.8
110.03649	3.3
111.08070	1.5
115.05460	5.1
117.07020	4.1
121.06490	3.8
123.04436	3.9
123.08076	1.4
124.05244	4.3
125.05984	3.8
127.03918	5.6
128.06227	1.6
129.06970	3.7
131.04950	3.0
131.08623	2.9
133.06465	3.0
138.03198	1.6
142.02621	2.6
144.05708	3.4
144.08046	1.8
145.06488	10.0
147.04372	1.6
147.08046	1.9
149.05997	2.4
151.07530	1.7
153.01863	2.4
153.05472	3.8
153.12802	10.1
155.04976	1.6
155.06079	2.9
157.06528	2.8
159.08087	2.2
161.05977	4.8
165.05525	1.5
167.07057	57.1
171.06561	2.5
172.05261	8.0
173.06032	6.9
177.05457	3.1
181.04979	100.0
182.05502	1.7
183.06610	2.3
187.07521	7.0
189.05473	3.3
190.06285	2.1
191.10683	3.9
200.04723	3.5
201.05484	6.7
205.08574	5.0
206.05719	2.5
209.08073	4.2
213.05479	1.9
217.08588	3.0
218.05753	6.6
219.06595	3.0
219.10193	5.1
221.08066	8.5
233.08099	58.8
235.09612	2.4
245.08044	2.4
251.09315	2.0
263.06854	1.8
263.09213	13.9
277.08624	1.5
281.07916	1.3
295.09723	1.9
307.09814	2.1
355.11807	4.6
367.11832	2.3
371.15103	2.0
372.11746	2.1
381.13141	2.8
387.14389	9.7
399.14505	7.0
417.15509	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1655
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03948	2.5
55.05518	3.1
56.03283	1.5
65.03943	9.3
67.05510	3.2
69.03427	4.6
69.07066	1.7
71.49545	1.6
79.05496	7.6
81.03419	5.7
81.07038	3.4
82.04196	3.1
83.05003	1.8
85.02904	8.4
91.05488	6.2
92.04181	1.8
93.03400	3.9
93.07001	2.0
95.04966	5.1
97.06516	4.2
100.11259	3.7
105.07024	1.9
106.04163	3.2
107.04967	17.6
108.52807	1.9
110.03675	3.1
115.05470	6.8
116.38881	1.5
117.07040	6.6
119.04947	3.3
120.02105	2.1
121.02890	1.7
121.06511	3.6
123.04440	4.3
123.96228	1.4
124.05215	3.9
125.05997	4.3
127.03922	5.4
129.07025	2.7
131.04935	3.0
131.08635	3.3
133.06479	3.7
137.06029	3.0
138.03114	3.6
141.07011	3.1
142.02603	2.9
144.05650	4.2
145.06459	8.0
147.04411	10.1
147.08090	1.9
149.05986	5.8
152.96767	1.6
153.01839	19.5
153.05453	3.0
153.12755	2.4
155.05971	2.2
157.06470	2.8
159.08083	4.5
161.06020	6.9
163.03867	3.1
163.79579	1.5
165.01813	2.3
165.35721	1.5
167.07054	50.8
171.06544	2.3
172.05220	12.0
173.06010	6.1
177.05458	4.4
180.45570	1.5
181.04965	100.0
182.05492	2.2
182.15413	2.1
185.05861	2.1
185.77953	1.6
187.07553	6.7
189.05571	4.8
191.07024	2.2
195.06575	2.7
200.04677	5.0
201.05484	6.1
205.08603	5.9
209.08156	6.5
210.14854	2.5
218.05653	8.2
219.03015	2.0
219.10091	7.4
221.08080	7.9
228.16042	2.2
233.08107	62.7
234.08348	2.0
241.60263	1.7
245.08371	2.5
251.09122	2.4
263.09167	11.9
273.07523	23.8
277.08139	1.8
279.09930	2.0
281.07785	2.0
307.09592	2.2
339.12317	3.1
355.11938	3.6
367.11694	3.4
381.13297	3.3
387.14603	7.4
399.14490	6.2
417.15475	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	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.99554	0.4
55.01898	0.5
57.03202	0.6
57.03439	6.4
61.02914	2.1
68.54066	0.6
68.99794	1.0
69.03413	0.7
69.63830	0.5
71.33852	1.2
73.02920	14.1
93.03338	0.5
108.93571	0.5
111.00771	1.3
115.03960	0.7
116.26412	0.5
121.02847	3.4
133.45752	0.5
137.02365	3.4
149.02339	0.5
153.01839	8.0
161.05997	0.5
163.03874	0.7
165.01819	2.2
173.05960	1.1
183.02937	0.6
183.04381	0.6
183.94334	0.6
187.03854	0.6
194.57721	0.5
201.05455	2.1
229.04922	5.2
247.05927	0.7
257.04468	3.0
274.04782	0.7
285.03976	1.6
303.04996	100.0
304.05402	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	434.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	15.0
55.05511	28.7
59.14358	9.1
61.02914	11.6
67.05503	42.0
69.03437	23.1
69.07054	33.7
71.04993	41.8
71.49816	13.0
79.05492	47.8
81.03425	12.9
81.07069	58.2
83.08621	19.3
85.02894	47.5
91.05474	50.0
91.05967	11.0
93.07057	80.4
95.04998	14.0
95.08620	96.3
97.02898	14.0
97.06498	16.6
105.07043	97.7
107.04969	29.4
107.08629	78.0
109.10153	33.5
115.05415	12.5
117.07025	21.6
119.08589	42.9
121.10163	49.3
123.11665	13.3
125.09618	28.7
131.08546	26.3
133.10153	100.0
135.11726	22.1
143.10698	32.2
145.10135	35.2
147.11688	38.3
149.13293	66.2
153.01773	11.0
155.07074	14.0
159.11717	47.4
161.13251	14.5
163.11195	13.5
167.07054	64.6
167.14355	85.7
173.06081	12.1
173.13292	17.8
181.04985	74.3
201.16362	41.5
219.17467	68.1
221.08160	13.4
233.08090	46.8
241.08784	13.8
417.15567	22.8
434.15677	22.5
435.06860	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	434.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.05509	26.5
57.07067	13.2
59.05001	58.0
59.64074	3.5
62.05651	3.1
67.05508	18.2
69.03439	3.9
69.07064	8.7
71.04990	6.4
73.06572	3.7
75.35583	3.5
79.05482	24.8
81.07046	26.6
83.04975	4.2
85.06544	74.9
87.99984	3.7
89.06026	6.7
91.05486	63.0
93.07041	50.9
95.04958	7.9
95.08596	37.6
96.08876	3.8
97.06532	4.9
98.07368	5.0
105.07026	70.8
107.08595	48.4
108.09419	4.2
109.06517	25.1
109.10163	17.7
111.08066	8.5
115.05474	7.7
116.06209	5.5
117.07042	34.9
119.04935	4.5
119.08584	85.3
121.10135	23.9
123.08088	36.1
125.09642	27.9
128.06238	11.4
129.06993	18.1
130.07771	7.7
131.08562	54.1
132.09332	6.3
133.10141	36.7
135.08057	24.1
135.11714	10.6
137.09634	12.0
138.10420	18.9
141.06989	11.3
142.07761	23.1
143.08582	50.7
144.09332	12.3
145.10132	52.2
147.08058	8.7
147.11697	11.4
149.09615	27.2
150.10370	8.0
151.11179	19.0
153.06999	9.5
155.08607	23.7
156.09338	21.7
157.10146	45.1
158.10910	10.7
159.08121	5.5
159.11713	28.1
160.12196	5.2
161.09621	6.3
161.13274	4.6
163.11194	11.6
165.07001	7.0
166.07703	4.8
167.08586	12.1
168.09343	11.2
169.10121	25.9
170.10921	10.2
171.11703	31.2
173.09561	6.3
173.13332	22.0
174.62102	3.7
175.11177	15.9
175.14751	19.2
177.12749	11.5
179.08533	16.2
180.09322	5.4
181.10149	17.3
182.10881	10.4
183.11691	39.4
184.12280	4.6
185.13232	17.3
187.14812	8.8
189.12743	13.5
191.14232	6.2
193.10139	6.4
194.10915	11.6
195.11746	20.0
196.12517	8.3
197.13257	21.0
199.14832	5.9
201.12843	8.6
201.16409	4.8
203.14325	13.0
206.10912	4.7
207.11732	14.5
208.12431	5.9
209.13239	33.3
210.13953	3.9
211.14844	17.1
213.12682	7.1
215.14290	15.2
217.15924	10.5
221.13217	12.1
221.15262	6.2
222.13966	4.9
223.14841	8.1
225.16370	7.0
227.14301	5.6
231.17479	6.9
233.13179	5.0
235.14755	5.0
236.17752	4.9
237.16328	10.7
239.14362	4.7
239.17969	7.7
247.14659	5.8
249.16321	6.1
255.17441	6.8
263.20346	4.6
265.19836	4.3
277.19531	9.6
281.18848	6.0
295.20499	8.8
309.22079	5.1
327.23093	12.8
328.24048	11.2
342.25574	100.0
354.21811	8.9
389.17093	4.6
403.19040	6.4
404.19742	13.9
405.20477	8.4
406.21271	4.8
419.22162	10.9
434.24301	52.9
434.31662	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84813	8.2
51.72824	8.2
55.05509	21.2
59.61564	8.1
65.03958	10.4
67.05508	32.0
68.95010	10.3
69.07061	20.3
71.04990	34.8
71.49629	12.2
79.05473	21.7
80.34569	9.4
81.07059	55.1
83.08633	8.8
85.02898	12.1
91.05495	32.4
91.58923	9.3
93.07051	27.4
95.04982	17.2
95.08617	53.2
96.96940	8.6
97.06537	24.5
98.15190	8.1
105.07032	38.2
107.04949	19.9
107.08614	38.1
109.10171	28.4
112.39537	10.3
119.08585	20.3
121.06530	10.8
121.10126	28.6
125.09634	24.3
127.03973	12.4
127.11181	11.8
131.08580	22.6
133.10135	100.0
137.05983	11.5
143.10684	46.1
145.10170	17.5
147.11671	19.3
149.13260	27.7
153.01862	16.3
159.11678	14.0
163.03851	18.5
163.87511	9.1
167.07027	22.7
167.14317	69.7
173.06055	9.1
179.07047	8.7
181.05034	42.8
198.69324	8.6
201.16426	23.9
214.09468	13.2
217.05022	9.3
219.17476	71.5
233.08136	12.1
240.55513	8.5
259.09790	9.9
285.17545	9.6
326.07285	11.8
372.08005	15.2
416.10553	25.5
417.15802	12.7
434.11313	94.4
434.15536	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	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51907	2.5
55.01879	12.3
57.03444	28.3
59.24134	3.2
61.02932	16.1
69.03427	38.8
70.06582	2.5
70.81611	7.2
71.01344	6.5
73.02514	4.9
73.02921	100.0
79.05484	6.5
81.03410	10.9
81.87960	2.2
85.02909	95.0
87.04449	4.0
91.03931	3.7
91.05470	3.5
92.04996	3.6
97.02895	65.4
99.04461	5.0
103.03941	3.7
105.03416	3.1
109.02927	4.7
109.38983	2.7
110.06033	9.8
114.27708	2.9
115.03938	32.9
123.04419	11.7
127.03933	28.7
133.04964	48.2
135.04413	3.9
144.06575	4.7
145.04970	54.2
145.61385	2.5
150.07600	4.2
162.07587	3.9
163.03908	30.0
163.06015	17.8
164.04228	10.7
180.08678	4.0
181.05011	3.5
241.07184	7.7
259.08200	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.5
56.48487	1.3
56.83907	1.4
57.03440	15.7
59.05002	1.4
61.02928	13.9
65.03922	1.6
69.03086	2.2
69.03432	26.9
69.94945	4.5
69.95358	2.1
71.01353	4.2
71.04979	1.8
73.02920	65.2
73.28535	1.4
79.05483	1.8
81.03400	5.7
85.02908	100.0
87.04459	4.5
91.03934	4.0
91.12655	1.4
95.04984	1.2
97.02895	47.9
99.04459	3.7
103.03936	3.3
105.07035	31.7
107.04971	1.9
109.02903	8.4
113.19788	1.5
115.03937	26.1
119.08604	2.2
120.04454	1.6
127.03919	33.2
131.00430	1.3
133.04961	31.1
133.06459	1.6
145.04964	49.7
147.08072	2.7
149.05965	1.6
150.07594	3.9
153.01852	1.7
163.06020	22.5
167.06963	1.8
168.07491	1.5
181.04924	4.3
182.05345	4.2
201.09084	4.4
201.37321	1.2
217.07133	1.3
219.10239	3.5
223.06032	2.8
241.07004	6.6
259.08093	6.2
277.08969	2.5
285.13409	3.3
295.10248	3.6
404.14069	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03058	1.6
53.03962	4.9
54.94239	1.3
55.05514	31.7
58.13152	1.5
59.05003	64.1
62.35614	1.4
65.03952	2.6
67.05508	18.0
69.03440	4.8
69.07081	8.9
71.05009	2.9
73.06564	2.4
79.05493	16.2
81.07060	22.0
83.04984	3.8
83.08627	3.7
85.06549	100.0
91.05490	40.1
91.06026	2.8
93.07043	31.4
95.04997	7.2
95.08615	22.2
97.06555	3.7
99.08116	3.2
103.05497	4.6
105.07036	37.7
105.07689	2.2
107.08606	22.8
109.06523	11.0
109.10166	15.2
111.08082	12.4
115.05491	5.2
117.07018	18.0
119.08588	67.3
121.06512	3.6
121.10149	23.0
122.07336	5.1
123.08053	10.2
123.11703	2.9
125.09635	27.9
128.06273	6.9
129.07019	9.0
130.07828	6.0
131.08569	22.9
133.06586	1.7
133.10136	23.3
133.11096	2.0
135.08063	5.9
135.11674	9.8
137.09637	23.2
141.07036	5.2
142.07782	11.2
143.08571	22.3
144.09467	2.9
145.10141	34.8
147.08084	6.4
147.11697	9.7
149.09624	9.9
151.11192	31.0
151.12364	2.1
153.07031	2.2
155.08545	8.5
156.09337	10.4
157.10139	29.8
157.11325	2.2
158.10916	3.1
159.08099	3.2
159.11716	13.5
161.09691	3.4
161.13289	4.2
163.11163	7.9
165.07103	4.3
165.12779	3.1
166.07848	2.5
167.08606	5.0
168.09380	6.1
169.10124	10.1
170.10948	5.4
171.11693	19.6
173.09697	3.9
173.13316	5.9
175.11227	6.4
175.14882	3.2
177.12791	1.6
179.08652	5.7
180.09445	4.0
181.10124	8.2
182.10904	4.7
183.11708	14.6
185.13217	10.0
187.11272	2.0
187.14828	4.6
189.12784	7.3
192.09334	2.6
193.10202	7.0
194.10956	5.0
195.11734	10.1
197.13245	9.7
199.14868	2.7
201.12770	3.4
203.14308	7.6
205.10205	1.9
206.11014	4.5
207.11766	6.9
208.12552	2.0
209.13261	13.7
210.14093	1.9
211.14891	6.7
215.14380	7.0
219.11745	4.1
220.12511	2.9
221.13252	8.0
222.14194	2.7
223.14877	6.9
225.12703	2.6
225.16426	4.9
227.14284	3.3
230.24854	5.6
233.13322	4.6
235.14839	3.4
237.16435	4.2
241.15987	2.4
247.14803	2.9
249.16391	2.5
261.16351	2.7
265.19623	3.1
267.17615	2.2
281.18848	1.7
291.21136	2.5
295.20590	2.0
341.24811	3.1
354.25604	2.6
415.30243	2.1
433.24280	2.0
433.31058	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	433.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09370	2.1
53.03942	5.0
55.05518	28.9
57.07076	3.0
59.05008	69.0
67.05506	13.0
69.03429	4.4
69.07060	6.1
71.77168	2.2
76.88312	2.2
79.05501	20.3
81.07069	17.9
83.05005	5.3
83.08651	3.4
85.06551	100.0
91.05488	44.2
93.07045	29.1
95.04987	5.9
95.08609	20.8
97.06503	4.5
98.20748	5.9
99.08105	3.4
103.05469	2.6
105.07042	42.9
107.04980	2.2
107.08610	24.0
109.06532	11.4
109.10161	16.4
111.08080	15.2
115.05472	5.4
116.06273	2.7
117.07021	18.6
119.08589	64.8
121.06548	3.9
121.10146	23.5
122.07253	3.6
123.08091	7.5
123.11683	3.5
125.09633	28.9
128.06241	9.2
129.07022	8.6
130.07820	2.1
131.08598	24.6
133.10133	28.5
135.08073	8.5
135.11671	10.2
137.09615	26.3
141.06984	3.8
142.07808	15.7
143.08545	17.9
144.09335	4.7
145.10133	30.9
147.08067	6.2
147.11674	6.9
149.09647	7.5
149.13155	2.6
151.11200	30.1
153.07005	3.3
155.08542	6.7
156.09377	11.3
157.10147	29.3
159.11668	13.9
163.11238	10.4
167.08606	4.8
168.09360	3.7
169.10158	14.6
170.10922	3.3
171.11667	17.7
173.09671	4.8
173.13301	8.2
175.11237	4.9
175.14862	2.9
179.08562	6.6
180.09364	3.5
181.10143	9.8
182.10936	3.4
183.11702	14.9
185.13217	10.4
187.11079	3.4
187.14812	3.5
189.12787	5.5
193.10146	4.4
194.10994	5.7
195.11728	13.6
197.13316	10.1
199.14963	4.1
203.14304	7.0
206.10924	4.1
207.11702	6.5
208.12621	2.2
209.13261	11.7
211.14818	5.0
215.14383	6.1
221.13257	9.2
223.14824	6.9
225.16409	5.3
233.13338	3.4
235.14803	4.3
236.15608	3.3
241.15720	2.8
247.14745	2.2
249.16360	4.8
261.16495	3.1
265.19412	3.1
281.18918	2.4
309.22147	2.3
341.24670	3.3
351.49164	2.0
351.53540	2.3
354.25256	3.5
401.28601	2.5
403.19263	2.3
433.23767	6.7
433.31067	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	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	10.6
55.05281	1.9
55.05517	28.8
57.03440	9.7
59.33865	1.4
60.72449	1.5
65.03931	3.3
67.05505	39.2
68.16866	1.3
69.03419	4.3
69.07072	9.7
69.68894	8.7
71.04979	3.3
76.45518	1.3
79.05495	47.1
81.03421	5.9
81.07063	27.5
83.04975	5.0
83.08619	14.0
85.06544	1.9
91.05488	37.6
93.07048	33.6
93.07639	1.9
95.04967	30.2
95.08597	13.7
97.06513	2.9
97.10163	21.7
99.08089	1.7
103.05495	3.4
105.03424	1.7
105.07031	29.2
107.04980	16.2
107.08603	21.0
109.06540	7.0
109.10147	7.2
111.06149	1.6
111.08102	3.2
115.05452	2.3
117.07013	17.3
119.04928	4.2
119.08584	17.2
121.06506	13.8
121.10144	16.1
123.08051	6.2
125.09663	16.2
128.06215	5.9
129.05536	2.3
129.07008	25.9
131.04945	11.9
131.08575	26.8
132.49144	1.4
133.06543	7.2
133.10135	8.4
135.04456	1.9
135.08069	9.4
135.11736	1.8
141.07013	9.7
142.07797	2.1
143.08560	14.0
145.06491	19.9
145.10129	12.6
147.04573	1.5
147.08084	8.4
147.11668	2.9
149.09633	21.3
153.09062	1.8
154.07791	2.0
155.08533	9.6
157.06493	4.3
157.10165	8.1
158.07257	1.8
159.08087	6.6
159.11729	8.4
161.09633	4.4
161.13280	4.5
163.11177	3.6
165.07016	1.7
166.07750	2.2
167.08604	6.0
169.10091	11.7
171.08083	3.9
171.10287	2.9
171.11685	16.4
173.09654	6.1
173.13292	1.9
175.11154	5.0
177.12759	1.9
179.08572	2.3
181.10149	4.7
183.08069	1.6
183.11725	6.1
185.09642	4.1
185.13254	6.0
187.11234	11.1
189.09230	2.8
189.11205	9.4
189.12772	12.5
193.10240	2.0
193.12248	2.9
195.11714	3.2
197.09644	5.2
197.13306	2.7
199.11230	4.5
201.12801	2.9
203.10718	3.2
205.12270	7.0
207.11769	3.0
209.13298	2.2
211.11166	6.9
213.12741	2.7
215.10751	5.3
215.14355	1.5
221.13409	2.4
223.13393	5.3
225.12770	4.0
227.12721	3.7
229.12296	4.7
231.13867	2.6
241.15729	1.5
243.13835	2.8
249.14867	2.8
257.15390	3.2
267.16068	4.3
273.14920	3.7
295.20654	4.3
305.19016	2.8
313.18326	2.1
313.21512	7.4
323.20050	24.2
331.22455	1.9
341.21118	100.0
342.21542	3.5
359.22241	10.8
379.22787	1.8
397.23718	4.3
415.24832	39.7
433.25867	72.4
433.30670	3.0
434.26205	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01875	11.1
55.05516	31.4
57.03445	7.1
59.04984	1.5
65.03941	3.0
67.05511	37.0
69.03423	4.6
69.07074	12.1
70.00255	2.6
70.00645	2.5
71.05003	3.9
77.03936	1.3
79.05497	53.4
81.03419	6.6
81.07057	32.4
83.04984	8.4
83.08626	16.2
85.06550	3.6
91.05486	42.0
93.03415	1.3
93.07051	30.9
93.35300	1.3
95.04977	31.5
95.08611	16.2
97.06538	9.6
97.10178	22.0
103.05472	4.6
105.04556	1.5
105.07040	29.4
105.33271	1.2
107.04958	16.5
107.08600	22.3
109.02914	2.1
109.06525	7.0
109.10174	9.5
111.08100	3.8
115.05455	3.8
117.07021	15.6
119.04951	4.2
119.08603	15.5
121.06518	16.9
121.10153	16.1
123.04432	1.5
123.08062	6.0
125.09638	16.2
128.06226	5.6
129.05505	2.5
129.07010	21.8
130.07721	2.1
131.04948	14.9
131.08572	25.2
133.06499	8.8
133.10123	8.0
135.04442	3.6
135.08072	8.7
135.11685	3.3
137.06021	2.9
137.09636	1.9
139.03816	1.3
141.07002	10.5
142.07751	1.9
143.08571	14.9
145.06490	21.3
145.10143	15.2
147.04448	1.5
147.08051	9.7
147.11720	4.4
149.09637	20.6
151.07632	2.9
151.11136	1.7
153.07007	2.2
153.09158	1.9
154.07756	2.5
155.08586	10.4
157.06526	4.6
157.10146	6.6
159.08073	8.3
159.11682	9.2
161.06007	2.1
161.09612	6.1
161.13278	3.0
163.03957	2.7
163.11230	4.6
164.32962	1.3
165.07062	1.6
167.07108	3.1
167.08597	4.9
169.10089	12.7
169.11180	1.2
171.08089	3.3
171.10257	2.6
171.11679	17.9
173.09624	6.4
175.11234	3.3
177.12767	3.2
179.08551	3.7
181.04999	4.4
181.10176	4.5
183.08057	1.4
183.11697	5.7
185.09618	3.2
185.13290	5.2
187.11221	10.1
189.09151	4.6
189.11211	10.0
189.12799	14.1
191.10655	1.5
193.10265	1.6
193.12247	1.7
195.06531	1.5
195.11736	4.1
197.09558	2.3
197.13266	3.2
199.11200	3.4
201.12784	2.7
203.10605	1.9
205.12222	8.4
211.11255	6.6
213.09206	1.9
213.12791	4.5
215.06995	1.7
215.10698	3.8
219.13802	1.6
221.13380	2.6
223.13350	4.6
225.12814	4.3
227.12794	4.9
229.12244	5.8
231.13853	2.8
239.14456	2.0
243.13815	3.8
249.14876	1.8
257.15442	4.5
259.09714	4.1
261.14801	2.0
262.67215	1.2
262.78339	1.3
267.15805	2.1
273.14807	2.8
275.16544	1.5
295.20660	3.5
301.73892	1.3
305.19095	2.3
313.21664	7.5
321.17175	2.0
323.20059	25.6
331.22784	1.6
335.18298	1.6
341.21130	100.0
342.21591	2.4
359.22217	10.5
377.23410	1.6
389.23288	1.4
397.23923	2.3
415.24820	37.5
433.15314	5.1
433.25919	65.7
433.30991	2.3
434.26193	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.2
55.01878	5.7
55.05513	25.9
57.03440	16.1
59.05009	2.3
61.02934	43.6
65.03948	7.3
67.05518	38.3
69.03443	22.6
69.07072	19.6
69.14239	2.4
69.77604	2.7
69.77898	13.9
70.48353	3.0
71.01369	3.4
71.04987	11.5
73.02931	20.8
79.05495	44.5
81.03417	15.7
81.07065	65.7
83.05004	6.2
83.08642	14.8
83.57009	2.8
85.02402	1.8
85.02908	52.7
85.06564	7.0
90.81120	2.4
91.03967	30.1
91.05489	30.9
93.07056	31.8
95.04972	14.2
95.08617	74.7
97.02908	40.0
97.06547	34.0
97.10185	7.8
98.20789	3.3
98.21362	5.7
99.04474	4.0
99.08118	4.2
100.77864	2.5
101.02372	7.9
103.03921	2.7
103.05511	3.4
105.07048	46.8
105.58218	2.7
107.04960	17.9
107.08604	29.1
109.02888	7.1
109.06535	7.1
109.10168	12.4
110.03624	2.7
111.04429	4.2
111.08112	6.6
115.05468	5.3
117.07054	5.3
119.08599	41.2
121.06525	4.2
121.10153	21.8
123.04441	6.6
123.08068	6.2
123.11718	2.9
125.06025	3.4
127.03945	16.3
129.05527	6.7
129.06999	5.2
131.04939	3.0
131.08586	10.5
133.06516	8.9
133.10162	30.9
135.04408	2.8
135.11650	12.1
137.05978	15.3
137.09641	5.0
137.13260	8.2
141.07025	3.9
143.04999	2.9
143.08594	8.5
144.09239	2.6
144.18787	2.5
145.04984	5.9
145.06497	5.1
145.10138	21.2
147.08086	4.5
147.11678	6.6
149.09695	3.0
149.13202	3.6
153.05435	3.2
155.08615	5.5
157.10130	11.7
158.11026	2.9
159.04533	2.5
159.08069	4.0
159.11729	14.9
161.06010	14.8
161.13284	45.5
163.03860	18.9
167.07071	24.8
167.08456	5.4
169.10130	4.7
171.06581	5.4
171.11719	10.8
173.02396	7.1
173.06024	3.4
173.13254	13.1
175.07582	2.6
175.14847	9.2
179.14317	29.8
181.04982	100.0
181.08504	5.0
183.06572	4.5
183.11720	7.6
185.13260	7.3
187.14835	13.1
189.05620	2.6
191.07172	2.7
193.08655	7.6
195.11786	4.2
197.13373	4.9
197.15305	3.6
199.14803	15.7
201.07553	2.8
201.16443	8.3
207.06474	4.6
208.12535	2.7
209.10701	2.8
209.13246	2.5
211.14926	4.3
213.16451	11.4
215.07094	10.2
221.08138	22.6
221.20158	2.5
233.08066	5.8
235.09711	3.5
237.16315	3.2
241.08580	16.1
249.07585	11.3
251.17999	2.5
253.18024	11.4
259.09656	22.3
265.09985	8.7
271.10611	2.8
271.19083	52.1
285.07767	3.9
287.05441	5.6
295.09503	3.9
325.11734	8.2
341.21057	5.5
387.30350	8.9
401.13565	4.4
403.13870	42.5
405.31540	4.5
415.14215	5.5
433.15668	18.6
433.25037	10.8
433.31058	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03944	3.2
55.05507	12.0
57.03431	12.6
57.07061	2.6
58.59906	2.0
59.27047	2.1
67.05508	63.9
68.77477	1.8
69.07082	13.7
71.04982	3.1
71.49200	3.8
79.05073	3.9
79.05494	43.1
79.88824	2.0
81.07056	70.2
83.04984	2.5
83.08633	10.7
87.64610	2.0
91.05481	23.9
93.07045	48.0
95.04963	4.2
95.08606	53.2
97.06522	4.3
97.10164	4.4
98.98467	100.0
100.86742	2.1
105.07021	18.6
107.08591	37.6
109.06506	5.4
109.10173	25.4
111.08101	2.3
117.07011	8.4
119.08604	15.3
121.10152	22.1
123.11725	10.6
129.07001	2.1
131.08563	15.1
133.10156	15.7
135.11679	15.5
137.13219	6.7
145.10130	13.7
147.11676	7.9
149.13310	13.6
151.11214	2.3
155.01050	8.9
155.08519	3.2
157.10294	2.8
159.11682	8.1
161.13268	6.6
163.14838	7.9
173.02080	16.2
173.13327	10.6
175.14841	3.1
177.16374	2.6
181.05005	4.2
181.08627	2.2
187.14912	4.1
189.12865	2.1
191.14261	2.8
195.06558	13.0
196.06876	14.2
197.07095	11.2
203.08556	1.8
209.11519	2.1
233.22746	2.3
243.21059	17.1
252.51814	2.2
261.22147	53.2
308.57172	2.1
317.24838	10.3
328.89417	3.1
329.28214	2.0
335.25821	94.8
336.26431	2.6
403.14151	3.8
419.03088	2.3
433.29678	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	433.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23167	15.4
75.98049	1.8
83.05030	3.2
90.09997	1.8
121.06519	3.1
123.04475	4.2
136.05194	3.6
137.06050	3.5
138.06781	12.0
139.07521	3.9
146.07295	2.1
147.04445	2.3
148.05217	8.3
151.07593	4.1
152.04770	2.5
154.06239	15.5
162.06761	2.2
163.07492	2.3
165.05493	2.3
166.06291	19.0
167.07127	2.2
169.08632	22.3
173.09695	11.4
178.09938	6.3
179.07137	3.1
180.07877	3.9
181.08609	100.0
186.10417	2.1
187.11194	3.6
189.09134	2.2
192.07901	2.7
194.09433	7.5
195.06548	25.6
195.10204	14.3
197.08147	12.3
201.09210	14.5
206.55923	2.0
209.11758	21.3
216.11476	50.3
217.08591	9.5
217.12177	3.2
232.10963	15.7
237.14914	5.5
247.13319	56.2
265.14389	32.8
332.98914	2.0
354.62448	1.8
401.19690	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	433.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	2.1
69.95419	7.8
80.14767	1.8
91.05476	3.2
95.04981	3.1
108.05727	1.9
111.04441	2.5
121.06512	3.7
123.04415	4.3
129.60445	2.2
133.10135	2.0
135.08018	2.7
136.05193	4.1
138.06761	24.4
139.03876	3.0
139.07555	3.1
148.05171	7.9
151.03876	3.6
151.07547	6.9
154.06273	23.3
158.07289	3.6
165.05473	5.1
166.06270	18.4
167.07124	2.9
169.08618	32.7
171.08012	2.8
171.61742	2.5
172.08949	3.1
173.09615	28.1
174.06761	2.2
178.09943	3.3
179.07072	3.9
180.07805	2.8
181.08606	73.4
181.10220	3.7
187.11226	4.1
189.09142	7.8
190.09706	2.2
192.07919	3.6
194.09377	6.3
195.06517	12.0
195.10167	21.9
197.08112	19.3
201.09123	23.0
202.09904	6.3
209.11784	11.6
216.11473	91.1
217.08600	14.4
217.12169	5.0
225.11223	2.8
232.10933	20.4
237.14742	3.2
247.13301	100.0
265.14352	24.3
433.30444	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
61.02911	1.0
61.37879	1.0
62.99082	6.2
65.00631	3.4
69.03426	3.3
71.49020	1.7
72.02218	1.0
73.02932	1.2
79.05503	1.8
81.03410	3.1
82.43599	0.9
85.02900	4.3
89.03920	4.7
91.02155	1.6
91.05495	1.2
97.02880	3.4
107.04946	3.3
109.03233	30.2
115.04027	1.1
117.03369	5.2
123.04484	1.9
127.03922	3.1
133.05074	1.4
135.04417	15.0
137.02362	4.5
145.02858	12.2
147.04446	1.5
153.01830	1.9
161.06065	1.2
163.03914	100.0
164.04279	2.4
181.04973	7.0
234.75163	1.0
254.73145	0.9
266.11002	1.0
271.05951	9.2
275.21097	1.0
287.05484	3.3
307.08112	3.6
325.09238	5.5
327.08774	1.2
389.12146	2.2
403.13593	1.2
415.10275	1.0
433.11133	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	433.1495
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03946	1.3
55.01868	1.5
55.36708	0.7
56.71703	0.6
59.17420	0.6
60.58925	0.7
64.23888	0.8
65.03941	7.3
67.05498	3.5
69.03454	1.2
69.67175	3.4
73.02922	0.8
76.30437	0.7
79.05494	8.5
81.03404	0.9
81.07066	1.1
82.04182	2.1
85.02902	6.4
91.05484	1.7
93.03414	1.8
94.04133	0.9
95.04972	5.1
97.02898	1.2
97.06532	2.8
103.05460	1.4
105.04524	1.6
105.07032	7.2
107.04956	16.8
108.02097	0.9
110.03662	3.2
111.04427	1.2
115.05485	1.7
121.06519	0.7
122.03628	0.8
123.04423	5.5
124.05207	2.2
125.06010	2.6
131.04945	1.3
133.06509	8.5
137.02382	1.6
137.05981	1.4
137.19122	0.8
138.03127	2.5
140.04613	0.9
141.97697	0.8
142.02609	3.0
144.08052	0.9
151.03937	1.1
151.07614	0.8
152.04694	2.0
153.01851	1.1
153.05429	2.5
155.07018	1.8
161.05988	11.4
163.03889	1.3
163.07553	1.1
167.07037	20.9
171.06517	3.2
178.06264	0.8
181.04958	100.0
183.06557	3.2
186.74309	0.8
189.05482	2.1
193.08623	14.4
206.05827	1.2
213.09174	1.4
221.08075	34.0
222.08574	1.1
231.10089	0.9
233.05931	1.1
233.08037	1.4
241.08652	2.3
249.07585	17.3
259.09610	1.0
265.08804	0.8
267.69772	0.7
287.05524	5.4
342.11041	1.2
362.11893	0.7
373.12619	1.1
403.13892	62.1
404.14276	2.4
433.15439	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	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.74960	1.1
57.03440	5.2
64.40469	1.1
68.89612	0.9
69.03394	1.3
69.35286	9.7
71.04997	28.4
85.02910	22.8
101.47216	1.0
105.47149	1.1
121.02896	3.0
127.09358	1.0
129.05482	5.5
153.01855	4.6
159.56004	1.2
165.01849	2.4
221.22391	1.1
239.64397	1.1
241.05003	1.2
287.05515	100.0
288.06076	2.4
299.05377	1.5
329.06534	2.8
331.26770	1.0
379.07935	1.3
397.09229	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
53.03945	1.2
55.01868	1.5
57.03432	1.0
65.03941	1.2
66.16725	0.9
67.05497	1.8
68.30814	0.9
69.03443	1.7
71.48280	1.3
79.05530	1.0
83.05003	1.6
84.30049	0.9
85.02913	1.9
91.05485	1.3
93.03429	0.9
95.04971	1.8
97.02873	1.1
97.06562	1.6
105.07029	1.7
107.04965	1.7
109.02899	1.2
117.06910	0.9
117.28368	0.9
117.32211	0.9
119.04951	4.2
121.02892	11.8
131.04936	1.2
137.02367	1.1
137.06042	1.4
141.01846	1.8
144.08159	1.6
145.02870	2.9
149.02382	2.3
151.03954	1.0
153.01866	1.7
161.05959	2.5
163.03918	4.4
165.00569	1.2
165.01866	14.3
167.03438	3.3
167.07196	1.8
167.08525	1.1
177.01874	2.2
181.05009	5.4
181.06401	1.1
183.02931	3.0
187.03960	1.3
190.17032	1.0
195.02856	2.3
195.08005	1.7
197.05942	1.1
200.04723	1.1
205.04973	1.2
213.05588	1.6
213.09169	2.9
215.03612	1.0
215.07086	3.2
223.07555	1.4
225.18190	0.9
229.05026	1.4
233.08162	1.3
240.83807	1.0
241.08653	3.6
243.02844	1.9
255.06567	1.9
256.07281	2.2
259.09665	3.1
267.06403	5.5
270.05350	2.8
271.05991	6.9
279.06476	2.2
281.08072	7.5
283.06055	100.0
284.06787	15.7
285.07239	1.4
287.05515	1.5
295.06143	12.6
295.09488	2.3
297.07556	5.7
305.08191	2.4
307.06088	2.6
308.06778	2.7
309.04108	1.5
309.07590	19.8
311.05588	1.6
313.07095	81.4
314.07483	2.8
321.07541	2.6
323.05588	1.2
323.09213	15.7
325.07101	2.4
327.08768	1.3
333.07535	3.4
337.07114	36.2
338.07321	1.4
349.07086	10.0
351.08710	2.7
361.07004	8.0
367.08215	19.4
379.08145	18.0
397.09241	21.2
398.09961	1.0
403.13937	1.2
415.10336	17.0
433.10919	14.5
433.16110	1.1
433.20288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
51.29803	0.6
53.03947	1.5
57.24432	0.5
65.03950	0.7
69.03433	3.6
69.77729	2.8
69.78108	1.0
71.05009	1.0
78.03455	6.9
78.75094	0.5
80.05027	0.7
81.03425	5.5
85.02919	3.2
91.05490	8.7
95.04945	1.1
96.04477	1.2
97.02891	2.1
99.04469	0.9
106.02927	20.8
109.02895	3.2
119.04955	23.9
121.06523	9.1
123.04421	4.9
124.03966	37.3
127.03924	1.7
137.02342	1.5
147.04424	100.0
148.04729	0.8
160.88812	0.6
163.03825	0.9
165.05479	1.4
166.05013	1.8
196.42342	0.5
241.08401	0.6
250.07181	8.2
255.06830	0.6
268.08176	19.1
303.04849	0.7
304.05368	0.6
315.05005	1.9
316.05356	4.2
328.05338	0.7
342.06943	1.1
370.06592	1.8
396.07834	1.3
414.08163	0.8
414.11801	2.6
432.13168	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	432.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41898	1.3
52.27731	1.4
53.03946	2.9
54.24258	1.5
55.05520	2.3
57.03436	1.4
67.05505	5.0
69.03439	2.7
69.07073	2.2
70.98718	2.8
76.46122	1.6
79.05502	7.6
81.03428	3.0
81.07059	1.8
83.05023	1.8
85.02910	8.9
86.09726	1.4
89.03933	2.9
91.03953	1.5
91.05489	5.7
93.07102	2.1
95.04984	4.5
97.02901	1.9
97.06579	1.6
103.05507	2.7
105.07045	5.2
107.04976	30.2
109.02870	1.5
115.05503	2.6
117.03424	1.7
119.04935	2.1
119.08605	3.0
120.05717	3.8
120.69958	1.7
127.03875	2.0
131.04996	2.0
134.03677	1.7
135.04472	2.2
135.08070	11.5
137.05992	2.7
145.02852	3.2
145.10118	1.9
147.04431	2.9
148.05173	2.6
149.06007	1.6
163.03905	11.7
163.07556	31.1
165.05495	5.4
167.07092	4.4
178.39378	1.6
180.07837	71.0
181.04892	2.1
195.10196	100.0
226.73802	1.5
241.08603	17.4
244.11105	1.4
253.14407	3.4
259.09848	3.2
432.13791	2.4
433.15225	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04758	3.0
53.03928	6.3
55.01866	8.0
55.05519	17.7
57.03447	22.4
57.07071	3.6
61.02617	4.2
61.02932	65.5
67.05511	73.6
69.03426	31.0
69.07069	21.4
70.59903	10.6
71.01330	4.4
71.04994	6.5
73.02931	27.9
77.34250	3.1
79.05505	39.1
81.03432	29.0
81.07063	100.0
83.04972	13.8
83.08607	17.2
85.02447	5.0
85.02914	50.9
85.06549	8.5
91.03962	32.3
91.05483	30.4
93.07055	65.4
95.04959	7.5
95.08588	26.0
97.02896	50.5
97.06524	20.5
99.04456	8.4
99.08080	9.7
99.39191	3.3
100.11267	3.2
101.02367	11.5
103.03889	3.7
105.07013	12.9
107.04950	6.3
107.08599	41.0
109.02873	16.3
109.10166	4.9
111.08144	5.8
113.43592	3.3
115.03961	5.0
117.07027	14.1
119.08601	9.6
121.06523	6.7
121.10150	25.9
123.11726	4.2
127.03920	29.0
129.05418	4.4
129.06984	3.1
130.25392	3.1
131.08533	10.8
133.10112	10.5
135.08046	3.8
135.11717	16.0
137.05994	4.0
137.09589	3.8
139.11151	3.3
145.04999	7.1
145.06421	3.3
147.11681	5.1
149.13269	64.6
159.11728	30.3
167.07039	5.9
173.06020	4.2
177.12772	21.8
181.05003	4.6
181.08513	5.8
183.06537	6.2
188.08235	3.6
195.13832	45.4
201.07637	4.2
213.14793	5.5
263.74997	3.2
269.17505	85.2
311.05411	6.3
311.18579	7.4
413.21829	4.7
431.13556	3.9
431.22443	6.6
453.48935	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	431.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
54.07120	0.3
55.01874	0.3
55.05515	0.6
65.03929	0.7
67.05496	0.9
69.03429	0.5
69.07062	0.4
69.52885	0.5
69.53296	1.5
79.05075	0.4
79.05504	4.8
81.03421	3.5
81.07075	2.7
81.66145	0.3
89.37685	0.3
91.05461	0.4
93.03406	0.4
93.07055	0.8
94.04185	0.7
95.04989	1.6
95.08627	0.4
96.05775	2.0
98.20825	0.5
98.98479	0.8
104.66081	0.4
105.04502	0.4
105.07027	0.5
107.04899	0.4
107.08527	0.3
108.05722	0.5
109.02838	0.7
109.06524	3.0
109.10129	0.3
111.08118	0.9
113.05997	0.6
117.07017	0.4
121.02895	0.8
122.03683	2.0
123.04420	0.3
123.25322	0.3
124.05232	3.9
128.04700	0.6
130.13849	0.3
131.08586	0.4
133.10138	0.6
137.02321	1.5
139.06560	0.4
139.07573	6.2
141.01859	0.6
145.10152	0.6
151.03917	1.8
152.04704	9.3
156.04150	1.5
161.13164	0.4
167.03429	0.3
167.07057	1.1
180.04243	0.3
181.08661	0.7
184.03740	0.5
185.08150	1.0
189.09096	0.9
195.06554	100.0
196.06877	1.3
203.10619	0.4
204.11479	0.7
206.09335	0.4
217.08557	0.4
231.10162	0.4
232.10913	1.1
235.13336	2.0
235.41965	0.3
244.93431	0.3
249.11311	0.6
263.12827	3.4
339.23135	0.3
431.20767	1.3
431.28262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.05508	0.7
65.03939	0.7
66.30814	0.3
67.05499	0.9
69.03412	0.3
69.65392	1.3
75.04465	0.3
79.05492	4.8
81.03413	3.6
81.07059	2.3
83.04984	0.4
83.08607	0.4
91.05478	0.4
94.04181	0.7
94.07381	0.3
95.04967	1.4
96.05276	0.2
96.05761	2.0
105.04520	0.4
105.88448	0.3
107.04983	0.4
108.05714	0.5
109.02841	0.9
109.06520	3.0
111.08057	0.9
113.02354	0.4
113.06046	0.7
121.02847	0.8
122.03673	1.9
123.04383	0.4
124.05218	4.1
128.04692	1.1
137.02342	1.7
139.06532	0.4
139.07544	5.7
141.01859	0.9
151.03900	1.9
152.04692	9.7
156.04184	0.9
165.05428	0.3
167.03514	0.3
167.07033	1.0
180.04100	0.4
181.08609	0.7
184.03535	0.3
185.08084	0.9
189.09154	0.7
195.06538	100.0
196.06856	1.2
204.11487	1.5
205.08528	0.3
217.08627	0.3
231.10243	0.3
231.15889	0.5
232.10988	1.2
235.13326	2.6
249.11203	0.8
263.12814	2.6
399.17661	0.3
431.20444	2.2
431.27942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00969	1.5
55.01871	1.6
56.96568	1.6
67.85459	1.6
68.98292	3.5
71.48212	3.3
77.00935	2.6
79.05486	2.4
79.67628	1.7
85.01411	2.2
85.02888	3.7
86.99326	2.9
89.03908	6.8
95.04941	4.2
95.90160	1.6
97.02898	2.5
101.00893	16.5
103.02434	4.3
105.00353	3.3
107.04961	100.0
111.02966	1.9
113.00886	3.5
115.02426	4.7
117.03368	5.7
119.01929	20.7
121.06492	3.4
127.02473	2.0
128.07596	1.7
129.03979	24.7
131.01900	7.9
133.03479	3.8
135.04416	9.5
137.04463	4.8
139.02443	1.9
141.03960	3.6
143.01930	6.6
143.05577	2.4
144.99838	3.2
145.02823	6.0
147.05025	9.9
149.02959	3.0
153.03986	5.7
155.01888	4.6
155.05531	34.1
157.03468	4.8
159.05093	3.9
161.02963	4.9
163.03903	55.1
163.06065	4.2
164.04248	4.8
165.04044	2.4
165.05472	2.1
169.03540	2.2
169.07050	2.4
171.01361	2.3
171.05023	16.5
172.99321	3.6
173.02991	7.3
173.06612	12.2
177.02380	2.7
179.05547	3.8
181.05493	3.4
181.07111	59.1
182.07423	2.5
183.05020	7.8
185.03038	2.8
185.06708	2.4
187.04549	2.5
189.05928	2.4
195.05153	3.1
197.02965	7.2
197.06589	3.4
199.08165	35.4
203.04126	2.9
207.05055	6.7
211.08191	1.8
213.06110	6.5
213.09711	1.9
215.00430	2.1
215.04034	4.4
221.05006	3.1
223.04539	2.4
223.08125	8.6
225.02553	14.0
225.06050	37.3
229.05614	2.2
241.03751	1.9
243.03418	3.5
243.07175	18.0
247.06726	2.6
249.06071	4.0
251.03998	3.7
257.05084	5.8
257.08652	5.5
265.07782	2.7
267.07159	48.7
275.04001	5.9
279.07108	7.3
281.08771	2.3
285.08170	3.4
293.05084	42.0
294.05258	2.9
295.06653	2.5
297.08237	8.2
299.09543	3.3
303.03613	4.2
307.06622	3.1
311.06146	8.3
315.81171	1.9
317.07205	2.1
321.04501	8.7
323.06201	2.9
325.07709	18.5
325.11258	3.3
327.09293	3.1
335.05960	4.9
339.05511	2.3
341.07428	3.3
353.07138	57.2
354.07208	3.4
365.06982	1.9
369.10458	3.1
371.08301	16.1
389.03497	1.8
413.12839	5.2
431.01508	15.3
431.13937	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	430.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91752	0.4
54.95396	0.4
55.05504	0.9
57.07080	2.7
58.07392	0.5
61.89398	0.3
62.95588	0.4
65.96957	0.3
67.05190	0.4
67.05505	3.0
68.05865	0.4
68.66682	0.3
69.07051	0.7
70.63137	1.0
71.08636	1.8
72.08958	0.3
73.35327	0.4
79.05488	0.9
81.07063	2.2
83.04971	0.7
83.08605	0.7
85.10172	1.0
91.05473	1.1
93.07025	1.5
95.08575	1.4
96.08930	0.4
105.07017	0.4
107.08598	0.9
108.09409	0.5
109.10163	5.7
117.06963	0.4
119.08584	3.0
121.06508	10.1
122.07314	1.3
123.08060	0.8
125.05946	0.5
131.08507	0.5
135.08038	1.6
136.08856	12.7
137.09622	13.0
137.17812	0.4
138.09935	0.6
145.10083	0.4
149.06026	0.7
149.09622	3.1
150.09962	0.9
151.07539	0.9
152.08284	1.2
159.11726	0.5
163.11206	2.1
164.08339	30.8
164.11287	0.8
165.09113	100.0
166.09467	8.2
173.09631	0.4
175.11163	0.7
177.09091	2.3
177.12767	0.7
178.09521	0.8
178.13081	0.4
179.10687	0.4
187.11134	0.9
190.09856	1.1
191.10655	1.8
192.11023	0.9
205.12242	7.9
206.12599	1.3
311.66104	0.5
430.38031	61.3
431.38428	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	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.0
56.67186	1.7
57.03442	14.4
57.07080	19.4
59.04993	2.3
61.02935	11.3
63.04494	18.5
69.03428	24.3
69.83627	4.5
69.84049	4.9
70.06587	9.5
71.01344	4.1
71.04993	2.2
72.08141	2.4
73.02922	58.2
81.03396	1.9
85.02910	56.8
86.09689	6.6
87.04453	5.2
91.03933	2.1
97.02299	2.8
97.02899	40.3
99.04417	3.7
103.03928	2.8
109.02876	7.0
115.03937	21.8
115.18025	1.7
119.10705	100.0
127.03928	19.5
133.04976	25.0
145.04965	24.1
163.06017	6.5
166.76785	1.8
182.05159	1.9
199.06049	2.9
223.05949	3.0
238.39769	1.8
241.07068	5.9
259.08148	5.7
268.12549	2.4
277.09177	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05501	1.9
57.07077	5.1
67.05511	3.3
68.55424	0.4
69.07073	2.5
69.82504	0.9
69.82912	1.9
71.08643	3.3
79.05495	0.8
81.07058	5.3
83.08620	1.6
85.10175	1.5
91.05479	1.3
93.07059	1.0
95.08618	3.8
96.37197	0.4
97.10150	1.2
98.20784	0.6
105.07026	1.2
107.08614	0.8
109.10164	3.6
111.11725	0.7
117.07021	1.0
119.08603	2.5
121.10149	1.2
122.07294	0.8
123.08070	0.4
123.11735	0.8
125.05988	2.0
128.11723	0.4
128.18172	0.5
130.26991	0.4
131.08574	0.9
133.10097	0.6
135.08061	2.0
135.11665	0.8
136.08846	0.8
137.09627	8.6
137.13208	0.4
145.10158	1.3
147.11623	0.6
149.09630	6.9
149.93864	0.4
151.07562	1.8
159.11739	2.1
161.09599	0.4
162.06770	1.0
163.11205	2.3
165.09122	100.0
166.09428	1.7
167.71458	0.4
172.08807	0.5
173.09610	1.6
175.07495	1.2
175.11195	0.5
176.08315	1.7
177.09135	4.3
177.12735	1.7
179.10667	1.4
187.11125	2.2
189.09100	0.4
189.12813	0.5
190.09857	3.3
191.10658	4.7
203.10655	0.7
205.12256	20.6
260.17252	0.4
401.33954	0.7
411.36325	0.5
422.94598	0.5
429.31992	1.1
429.37341	9.7
430.37674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.8
55.01864	4.6
55.05317	1.4
55.05516	13.9
56.53330	1.3
57.03159	1.6
57.03441	20.2
59.42373	1.3
61.02925	1.6
64.53864	1.4
65.03931	1.8
67.05509	19.5
69.03101	2.4
69.03433	33.1
69.07067	4.0
69.23034	3.9
69.23438	8.2
71.05003	7.8
73.02896	2.1
79.05499	16.5
81.03423	88.7
81.07060	21.5
83.01329	2.1
83.04991	25.1
83.08624	18.4
83.47586	1.3
85.02916	25.6
87.04457	3.2
88.25836	1.4
91.05485	21.8
93.07049	13.8
95.04980	19.5
95.08606	8.4
97.02898	51.0
97.06521	4.2
97.10169	3.9
99.04479	6.6
99.08046	1.6
101.00491	1.4
101.02383	2.2
103.05446	2.2
105.07040	16.2
107.04945	6.2
107.08591	7.6
109.02893	16.7
109.06505	3.3
109.10132	4.6
111.04459	11.5
111.08090	11.2
115.05455	1.9
117.06939	1.4
119.08608	16.2
121.06506	2.4
121.10156	9.2
123.08076	2.4
123.11668	3.1
127.03936	14.0
129.05466	5.9
129.07010	7.7
131.04936	2.3
131.08592	9.1
133.06508	3.4
133.10110	7.1
135.11691	1.7
137.05936	2.0
137.09564	2.9
142.07739	1.7
145.10106	3.1
147.08046	3.4
147.11697	14.4
148.85255	1.4
149.02315	3.6
149.09605	7.2
153.06958	1.5
153.12756	2.2
155.08510	1.5
157.10182	8.3
159.04449	2.8
161.05968	2.1
163.03908	6.7
163.11165	4.2
163.24480	1.4
165.09140	17.4
165.12802	4.1
173.02426	2.0
173.05992	7.1
175.03922	1.8
175.11203	13.7
181.06483	1.7
181.12222	5.6
185.05942	1.7
187.03880	4.5
189.05429	2.1
189.11171	1.8
191.10687	4.0
193.04948	4.1
193.12265	64.4
197.06001	2.2
199.03845	5.1
201.05420	2.6
211.13304	100.0
212.13562	2.9
213.05524	4.1
217.05016	2.3
225.05180	1.7
225.08942	1.5
227.12746	5.3
229.14369	4.2
239.06949	1.7
249.14919	7.1
269.12289	3.8
283.15610	2.0
285.17041	9.4
311.12714	2.6
327.16104	1.6
337.13702	1.4
355.17416	4.5
411.19705	2.5
429.21051	58.7
430.21414	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01862	3.3
55.05520	13.6
57.03437	10.9
61.02903	2.3
67.05508	21.0
69.03442	22.0
69.07025	4.9
69.26984	14.4
71.04951	5.6
79.05498	22.6
81.03423	71.9
81.07058	22.8
83.04984	17.9
83.08626	13.4
85.02905	14.6
85.06542	2.0
87.04395	1.6
89.03910	2.6
91.05480	22.9
93.07046	18.5
95.04983	17.1
95.08596	9.6
97.02897	34.5
97.06481	5.0
97.10132	3.7
99.04410	5.2
105.06386	1.9
105.07027	19.6
107.04898	5.0
107.08553	6.9
109.02882	10.3
109.06454	4.6
109.10105	6.6
111.04405	4.7
111.08031	5.7
115.05441	2.3
117.03342	4.3
117.07029	3.2
119.08586	14.7
121.06490	2.1
121.10152	12.3
123.08047	2.3
123.11671	3.1
125.09599	1.9
127.03924	9.2
128.06232	3.0
129.05415	4.5
129.06927	6.8
131.04860	3.1
131.08578	8.5
133.02795	2.3
133.06445	2.7
133.10143	8.1
135.04349	6.3
135.11668	2.3
137.09563	2.9
139.72986	1.3
141.06969	1.9
143.04843	2.6
145.02798	4.4
145.10074	3.2
147.04361	2.8
147.07971	2.2
147.11705	13.9
149.02304	1.7
149.09537	6.3
151.11061	1.7
157.06447	2.4
157.10139	11.1
159.04335	5.6
159.11536	1.9
161.02303	5.2
163.03918	35.8
163.11153	3.3
165.12645	2.6
173.02376	9.0
173.05930	3.9
175.03781	1.7
175.11203	9.1
181.12218	2.4
185.05914	3.1
187.03909	13.8
191.10629	2.0
193.04881	2.1
193.10432	2.3
193.12247	44.6
199.03970	7.9
199.05487	1.6
201.05469	3.8
211.13293	74.5
213.05501	9.5
225.05223	1.9
227.06990	3.2
227.12711	3.4
229.14235	2.7
239.06882	1.6
249.14790	3.4
267.13651	5.2
285.16867	4.5
293.11658	2.6
311.12671	3.8
337.14014	2.4
355.15405	6.0
359.02585	2.3
429.19125	100.0
430.19525	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.5
55.01862	4.3
55.05519	14.9
57.03196	1.6
57.03440	19.0
57.07051	1.6
59.04995	1.3
67.05514	14.1
69.03093	2.3
69.03436	33.9
69.07052	5.2
71.04996	8.7
73.02879	1.8
79.05497	13.9
81.03424	87.3
81.07060	17.2
83.04983	22.2
83.08627	16.6
85.02447	1.8
85.02914	26.0
85.03439	1.8
87.04473	1.4
91.04010	1.4
91.05486	18.2
93.07045	11.1
95.04967	18.0
95.08605	6.6
97.02895	53.5
97.06513	3.1
97.10159	4.0
99.04443	6.5
101.02408	1.5
104.46403	1.7
104.66359	1.7
105.07039	13.2
107.04954	4.6
107.08601	6.6
109.02882	14.8
109.06515	3.5
109.10140	3.1
111.04465	8.9
111.08086	12.7
113.06002	1.6
117.06990	2.1
119.08587	12.5
121.06534	1.9
121.10166	7.5
123.08046	2.5
124.06314	1.6
125.09655	2.2
126.91382	1.3
127.03937	12.1
129.05524	8.3
129.07019	7.8
131.08571	9.9
133.06493	2.7
133.10130	6.1
135.04439	1.8
137.09659	1.9
142.07758	2.2
145.02895	2.1
147.11720	11.8
149.09621	6.4
153.12775	2.1
157.10133	11.4
163.03903	8.1
163.11160	3.6
165.12770	2.7
173.09537	1.5
175.11215	11.9
181.12299	2.8
189.11287	1.8
191.10703	4.5
193.12263	58.9
209.11807	1.6
211.13307	100.0
212.13646	1.7
227.12746	6.3
229.14355	4.9
249.14821	7.5
265.14236	2.0
267.15930	1.7
285.17020	6.8
313.36044	1.4
330.29373	2.1
355.17438	5.9
406.82474	1.3
411.19476	2.1
429.21304	57.5
429.31638	6.0
430.21292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.1
54.21936	1.1
55.01870	2.9
55.05514	11.3
55.71904	1.1
56.30424	1.2
57.03441	14.9
57.16525	1.2
62.96366	1.2
65.86372	1.4
67.05508	17.7
69.03095	1.8
69.03433	31.2
69.07047	6.0
70.16223	4.0
70.16623	2.0
71.05003	8.1
72.47726	1.2
73.02896	2.2
79.05499	17.9
81.03422	89.2
81.07060	22.6
83.04977	22.0
83.08228	1.6
83.08624	15.6
85.02907	18.9
85.06557	1.8
87.04459	2.2
91.05489	20.8
93.07045	14.4
95.04967	22.5
95.08619	7.1
95.09118	1.4
97.02895	49.1
97.06522	3.7
97.10161	5.4
99.04433	5.5
105.07037	12.8
107.04947	4.8
107.08616	9.1
109.02878	15.2
109.06490	4.6
109.10149	4.2
111.04448	8.8
111.08070	7.1
115.05418	1.4
117.03377	2.7
117.07023	2.3
119.08589	15.3
119.27518	1.3
120.08748	1.2
121.06498	1.6
121.10175	6.6
123.08051	1.9
123.11674	2.0
125.09543	1.4
127.03912	12.1
129.05434	4.5
129.07048	6.5
131.08569	9.8
133.02866	2.2
133.06488	1.7
133.10132	7.2
135.04388	4.2
135.11679	1.5
137.09624	1.5
142.07735	1.9
145.02785	1.6
145.10094	1.9
147.04428	1.5
147.07977	2.1
147.11702	13.2
149.09599	5.9
153.12680	1.9
155.08508	1.8
157.06419	2.2
157.10159	11.2
159.04385	2.3
163.03914	19.0
163.11142	3.1
165.12729	3.6
173.02342	5.9
173.05940	2.9
175.11211	11.5
181.12242	3.6
187.03865	3.9
191.10612	3.2
193.12253	58.3
199.03925	3.0
201.05507	2.6
211.13298	100.0
213.05440	5.8
227.12718	5.4
229.14297	4.6
249.14870	5.3
259.62332	1.4
267.13651	2.2
285.17047	7.7
311.12781	2.7
337.16672	2.0
355.17188	5.3
392.58792	1.4
411.20212	1.5
427.44788	1.5
429.19830	70.5
430.20953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	10.7
55.01865	4.3
55.05518	16.4
57.03444	17.7
66.01183	2.1
67.05521	20.3
69.03436	35.7
69.07056	6.5
71.04980	6.5
71.48441	2.4
75.10820	1.8
79.05491	18.7
81.03428	82.5
81.06678	2.0
81.07063	22.4
83.05000	24.4
83.08627	16.5
85.02905	22.2
85.06511	2.0
91.05479	23.5
93.07039	13.3
95.04983	23.5
95.08631	10.3
97.02905	43.1
97.06516	3.9
97.10133	3.8
99.04427	7.6
105.07042	17.8
107.04944	5.3
107.08567	7.9
109.02882	11.7
109.06495	2.8
109.10145	5.7
111.04410	7.2
111.08046	8.8
111.48446	1.8
113.68702	2.3
117.06979	2.9
119.07931	1.9
119.08595	18.6
121.06477	3.7
121.10117	9.2
123.04382	2.4
123.08022	3.2
123.11705	2.3
125.09599	2.7
127.03925	11.6
129.05481	4.3
129.06982	8.5
131.08539	9.1
133.10091	6.9
135.04449	2.7
135.11710	3.3
141.07019	2.8
143.08423	2.1
145.02798	2.8
145.04933	2.0
145.10097	6.0
147.11728	10.2
149.09573	7.0
157.10132	11.9
161.02318	2.1
161.05965	2.3
163.03975	9.8
163.11168	4.3
165.12685	3.0
169.06421	2.1
173.04781	2.3
173.05998	20.0
175.03816	1.9
175.07439	2.5
175.11186	10.4
181.12201	3.6
185.05894	3.6
187.03876	5.0
187.07526	2.4
189.05452	4.7
193.10422	3.3
193.12247	62.7
197.05923	3.3
199.03897	4.7
199.07509	7.2
201.05536	9.4
205.79071	2.1
211.07549	3.9
211.13315	100.0
213.05371	4.7
215.07066	3.6
217.05025	6.0
227.06956	2.6
227.12766	4.8
229.14409	4.7
238.85287	2.3
249.14948	3.0
283.13113	2.9
285.17172	5.0
311.12762	5.4
313.14200	7.6
329.13812	3.3
337.14331	3.2
355.15051	5.1
429.19678	77.5
429.30719	2.7
430.19446	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75650	1.5
53.03954	13.7
54.53315	1.9
55.01854	7.8
55.05516	17.7
57.03440	20.7
57.40052	1.7
61.02913	1.6
67.05508	22.5
69.03433	40.6
69.07045	6.5
69.13721	1.6
69.14014	18.8
71.04970	6.6
73.02929	3.1
79.05070	2.4
79.05497	23.1
81.03423	99.2
81.07064	28.7
83.04578	2.1
83.04986	27.3
83.08630	18.0
85.02450	2.4
85.02910	28.2
89.03967	2.0
91.05488	22.7
93.06496	1.7
93.07042	18.9
95.04976	22.9
95.08623	11.8
95.09150	2.4
97.02902	54.7
97.06503	3.6
97.10163	4.0
98.20804	4.0
99.04424	6.7
99.75340	1.6
105.07034	20.0
107.04926	4.9
107.08609	8.9
109.02882	15.8
109.06497	5.3
109.10136	6.8
111.04456	9.1
111.08097	9.5
115.05395	2.2
117.07002	3.6
119.08580	18.3
121.06451	2.1
121.10166	12.1
123.08009	3.3
125.09621	2.7
127.03937	12.9
129.05446	6.0
129.07022	12.9
131.04950	2.7
131.08568	10.3
133.02803	3.0
133.06436	2.1
133.10146	9.7
135.04384	2.4
142.07724	2.7
145.10098	2.6
147.08060	2.6
147.11670	13.3
149.09592	7.9
157.10129	12.2
159.04390	7.6
161.02303	4.9
161.05923	2.2
163.03903	20.3
163.11172	3.0
165.12695	3.2
173.02301	7.5
173.05991	8.4
175.03807	2.0
175.11214	12.7
181.12213	3.2
185.05919	3.1
187.03909	11.5
187.07497	1.9
191.10721	3.3
193.10486	3.0
193.12256	67.0
199.03860	6.4
201.05403	5.9
211.13301	100.0
212.13718	2.4
213.05498	11.7
215.06990	2.0
217.04948	2.1
227.12695	6.3
229.14240	3.5
241.43848	1.5
249.14783	7.0
267.13684	3.5
283.13095	2.6
285.16876	7.1
293.11642	2.2
311.12637	6.5
327.15717	3.0
355.15277	6.4
419.11301	2.0
429.19647	77.3
429.30688	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	429.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55330	34.3
56.96557	42.1
69.71854	89.0
69.72239	83.5
74.30023	33.4
75.39680	29.9
77.76029	30.7
98.97598	43.0
211.89742	36.2
293.90320	44.6
351.69852	33.4
359.02179	36.1
407.33286	41.1
410.22922	39.2
426.34644	36.2
429.07874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03958	1.8
54.29330	0.7
55.01863	1.4
55.05322	0.6
55.05518	7.9
57.03429	3.5
57.07063	0.8
58.01350	0.8
65.03937	1.0
67.05508	14.3
69.03422	3.8
69.07062	3.9
71.04977	1.1
71.49918	1.1
79.05501	14.1
79.90851	0.7
81.03422	23.6
81.07062	14.9
83.04988	5.4
83.08614	4.9
85.02902	2.5
85.06535	1.0
89.03901	2.3
91.05479	13.9
93.07050	14.7
95.04990	6.2
95.08607	7.8
97.02901	5.8
97.06564	1.7
97.10163	1.7
99.04435	1.3
103.05477	1.8
105.07039	11.5
107.04944	3.4
107.08591	4.9
109.02835	1.2
109.06505	2.1
109.10163	3.3
111.08077	1.6
115.05446	2.3
117.03394	2.1
117.07037	2.6
119.08601	6.9
121.06498	1.0
121.10149	7.4
123.11713	1.9
127.03896	1.3
129.05475	0.9
129.07016	4.6
131.04906	1.7
131.08566	5.0
133.02859	3.2
133.06534	1.4
133.09258	0.7
133.10109	4.6
135.04420	5.9
135.11676	1.0
145.02898	3.6
145.06496	1.1
147.04442	2.2
147.08055	1.0
147.11711	4.1
149.09627	3.3
151.10988	0.8
157.06454	3.0
157.10152	2.6
159.04460	6.7
161.02437	3.6
161.05952	1.1
163.03915	30.3
165.12735	1.4
169.06490	1.6
171.04404	1.2
171.08064	1.0
173.02368	11.9
173.05994	6.0
175.03809	1.3
175.11256	1.6
177.05466	1.1
181.06509	1.7
181.10081	0.8
183.04410	1.3
183.07990	1.4
185.05994	3.7
187.03909	10.9
189.05527	1.2
193.04956	0.9
193.12234	8.0
199.03917	6.5
199.07570	1.2
201.05518	4.4
211.13313	10.7
213.05470	11.2
213.43564	0.8
215.06984	1.7
217.04933	2.1
225.09206	1.0
227.06969	1.3
229.04982	1.4
229.14325	0.8
231.06316	0.9
237.12906	0.8
267.13834	5.5
283.13226	2.1
285.14667	1.4
293.11700	2.3
309.14932	1.3
311.12814	5.4
313.14273	1.2
327.15967	2.0
337.14093	1.6
355.15396	6.0
429.19104	100.0
430.19559	4.0
440.86722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.4
57.07080	6.0
57.75499	0.8
67.05508	5.9
69.07073	33.0
69.97904	0.7
71.08624	2.5
71.49133	1.4
77.67802	1.0
79.05477	2.6
81.07064	9.6
83.05003	1.1
83.08616	11.4
83.43642	0.7
85.10195	2.2
89.06193	0.7
91.05469	2.5
93.07037	4.6
95.08614	10.3
97.10172	5.8
105.07025	2.9
105.35948	0.7
107.08597	7.1
109.06538	1.2
109.10155	10.7
111.11711	3.3
115.08782	0.7
117.08389	0.8
119.08605	4.9
121.10139	4.9
122.07287	1.3
123.11708	3.6
125.13204	1.2
131.08571	1.8
133.10124	1.9
135.08054	3.3
135.11673	2.0
137.09624	8.0
137.13254	2.1
139.07568	1.7
145.10135	2.0
147.11632	1.8
149.09645	10.9
149.13246	1.8
151.07545	1.1
157.10164	1.3
159.11729	2.4
161.09607	1.3
161.13316	1.0
163.07553	1.0
163.11206	6.0
163.14801	1.3
164.08293	1.4
165.09117	100.0
173.09633	1.8
173.13278	1.1
174.10451	0.8
175.07542	1.3
175.11188	4.1
176.08304	1.3
177.09129	4.6
177.12749	0.9
179.10622	1.4
186.02930	0.8
187.11127	1.2
189.09096	3.7
189.12747	2.1
190.66130	1.0
191.10629	7.0
191.17967	1.7
201.12796	1.5
201.16393	0.9
203.10684	7.9
203.14319	2.6
205.12224	9.6
217.12251	3.0
219.13814	3.2
229.12302	0.8
231.13773	2.4
233.15250	1.1
245.15581	0.9
275.27328	0.9
289.21573	1.0
301.21539	1.0
309.66339	0.9
317.24670	0.8
345.27890	1.3
385.34695	2.1
399.36282	2.3
409.34479	1.1
412.33398	1.1
427.35663	14.7
428.36148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05513	8.2
57.07078	4.8
59.23729	0.7
59.24042	0.6
65.03933	0.8
67.05508	5.5
67.83590	0.6
69.03444	0.6
69.07072	27.0
71.08633	2.4
71.50663	0.8
79.05479	2.6
81.03435	1.0
81.07068	11.3
83.04972	1.5
83.08621	10.0
85.10190	1.4
91.05490	2.2
93.07047	4.0
95.08614	8.1
97.06464	0.6
97.10162	6.4
105.07029	2.2
107.07973	0.6
107.08589	4.0
109.10170	8.0
111.11712	2.8
117.06998	0.8
119.04967	0.7
119.08582	4.7
121.06554	1.2
121.10146	2.5
122.07299	0.8
123.08032	0.9
123.11726	2.6
125.13255	1.1
129.06981	0.8
131.08551	1.5
133.10141	1.6
135.08025	3.5
135.11681	1.8
137.08661	1.2
137.09621	11.6
137.13303	1.5
139.07587	1.0
141.60603	0.7
145.10158	1.4
147.11684	0.7
149.09627	11.0
151.07529	2.7
159.11751	1.5
161.09625	1.0
162.06798	0.9
163.07553	1.2
163.11171	6.1
163.14819	0.8
165.09123	100.0
166.09485	1.6
169.10031	0.8
171.11800	0.9
173.09645	1.3
173.13200	1.0
175.07532	2.0
175.11166	2.8
177.09117	7.5
177.12695	0.9
179.10730	2.1
187.11186	2.3
189.09052	3.1
189.12851	1.5
191.10643	7.1
201.12807	1.8
203.10672	8.0
203.14366	1.2
205.12273	10.8
207.59177	0.7
213.12738	0.9
217.12251	1.7
219.13795	2.6
231.13805	2.1
233.15436	1.5
317.24731	0.8
331.26392	0.8
345.27905	1.3
399.32535	1.1
409.35037	1.7
412.33191	1.2
427.19699	0.9
427.30682	1.0
427.35873	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	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.0
57.07063	3.8
61.47331	3.5
61.67892	2.9
67.01709	3.8
67.05508	31.4
69.07075	21.7
69.25948	31.3
69.26226	2.6
73.17499	3.1
77.12434	3.5
79.05490	25.4
81.07071	43.5
83.08607	9.7
91.05466	19.8
93.07047	41.1
95.08617	100.0
97.10154	5.7
99.08086	3.5
101.14706	3.1
105.07032	43.2
107.08603	82.7
108.61864	3.2
109.10167	63.3
111.07373	3.0
111.08121	3.5
117.07020	4.3
117.45186	3.8
119.08585	63.5
121.10156	62.1
123.11747	19.2
131.08569	11.6
133.10136	42.7
135.08057	7.3
135.11705	37.7
137.13332	5.4
145.10149	20.8
147.08154	3.9
147.11720	36.3
149.13275	33.2
157.10143	8.1
159.11763	20.6
161.13269	28.9
163.14850	31.6
171.11786	6.7
173.13283	15.1
175.14822	47.4
177.12811	3.9
177.16379	25.1
185.13326	4.6
187.14885	22.5
189.12581	4.1
189.16336	23.9
191.17950	14.2
201.16423	10.5
203.17986	58.9
205.15898	31.9
205.19487	6.5
207.17493	5.4
213.16350	6.0
215.17986	7.0
219.17398	5.1
223.16901	12.3
227.18010	3.7
229.19547	4.5
231.21130	8.1
239.86964	3.6
295.24271	10.4
313.25327	14.5
331.26218	13.7
339.26715	3.7
391.33508	10.7
407.06516	3.6
409.34613	21.2
427.35617	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44889	3.6
53.03948	17.1
55.01863	11.0
55.05515	26.5
57.03430	15.9
57.07074	5.3
67.05514	50.2
67.78779	4.1
68.51706	3.7
69.03438	33.6
69.07084	27.4
70.01044	15.3
70.16445	3.6
70.74397	4.9
71.04995	13.7
72.36596	3.9
79.05501	41.8
81.03427	80.0
81.07071	68.4
83.01337	4.5
83.04980	24.2
83.08623	23.9
85.02942	10.5
91.05490	32.2
91.47641	3.6
93.07045	57.7
95.04996	7.5
95.08619	100.0
97.02895	31.5
97.06560	9.3
97.10178	9.4
98.20837	5.8
99.04453	15.9
105.07041	42.7
107.04992	7.4
107.08597	97.2
109.02895	15.2
109.06531	6.7
109.10174	67.4
109.10856	6.6
111.04487	20.6
111.08083	8.0
117.07027	10.8
119.08588	63.5
121.06525	5.7
121.10149	56.8
122.00159	3.8
123.08062	9.2
123.11707	15.2
125.09660	5.5
127.03928	22.8
131.08582	17.1
133.10143	52.1
135.08144	8.3
135.11703	49.3
137.13293	4.9
143.08572	4.6
145.10158	33.4
147.11690	32.1
149.09656	8.4
149.13300	23.1
153.12764	19.6
159.11688	21.5
161.13237	34.8
163.11212	30.9
163.14825	23.6
165.12749	4.8
165.16141	4.2
166.62257	4.1
169.74541	3.9
171.11768	6.7
173.09802	4.3
173.13289	11.1
174.46172	4.0
175.14825	38.0
177.16435	24.0
178.61159	4.1
181.12311	17.0
187.14925	25.7
189.16403	22.1
191.10669	11.6
191.14296	5.9
191.17894	18.4
195.13934	3.9
201.16382	15.2
203.17989	76.0
205.15868	26.5
209.11798	12.8
215.17998	5.0
217.19522	7.4
219.17450	7.4
221.85870	4.3
223.16972	17.2
227.12799	40.4
229.19641	6.4
231.21138	5.1
243.17482	4.7
249.18567	4.4
295.24323	5.5
299.05588	4.8
307.47446	4.1
313.25217	10.6
353.16040	17.1
409.34708	26.4
417.01978	4.4
427.19742	71.2
427.35770	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
55.05511	15.5
67.00433	2.2
67.05504	29.6
69.07061	27.9
70.11208	11.9
79.05489	20.6
81.07059	54.1
83.04949	3.2
83.08616	9.4
86.09713	23.5
91.05482	22.3
93.07045	47.0
95.04967	3.0
95.08612	100.0
97.06570	2.7
97.10179	6.9
98.21432	3.3
105.07028	48.6
107.04907	3.0
107.08594	81.1
109.06523	3.2
109.10163	57.9
111.08070	4.3
111.11676	2.6
117.06998	5.1
119.08584	55.0
121.06554	3.3
121.10146	76.0
123.08059	4.8
123.11705	19.8
131.08577	13.3
133.10135	39.2
135.08070	5.6
135.11685	34.3
137.13293	6.1
143.08556	5.1
145.10126	19.7
147.11678	44.0
149.09598	5.3
149.13266	37.7
151.11139	2.7
157.10152	5.3
159.11723	18.5
161.13254	33.3
162.32704	2.8
163.11234	6.0
163.14825	38.4
169.10271	2.9
171.11696	5.8
173.13271	10.7
175.11273	2.4
175.14853	32.1
177.12776	6.6
177.16373	35.6
179.14203	3.2
179.17918	3.6
186.14888	19.4
187.14824	22.2
189.16388	39.8
191.14566	2.7
191.17966	29.4
195.13821	4.6
199.14853	4.3
201.16350	16.3
203.17957	83.4
205.15904	23.5
205.19525	6.0
213.16501	7.8
214.14417	5.4
215.17914	4.8
217.15849	2.6
217.19487	5.8
219.17509	6.5
223.16959	9.2
227.17862	3.2
231.17462	9.1
231.21094	9.5
239.17761	2.4
249.18484	7.3
257.22668	4.3
276.69464	2.8
291.92429	2.4
381.08853	2.6
391.33600	8.6
409.34583	30.2
427.17859	3.2
427.35751	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48462	4.3
55.05505	19.9
57.03418	10.1
57.07056	5.2
57.30818	4.9
67.05508	34.7
69.03411	9.4
69.07070	27.1
71.04999	5.8
79.05499	22.1
81.03413	17.2
81.07061	53.2
83.04973	9.6
83.08602	14.3
91.05465	31.8
93.07044	54.7
95.08613	100.0
97.02857	8.0
97.06519	6.7
97.10156	5.6
105.07041	42.8
107.08609	67.4
109.06459	5.2
109.10159	57.9
117.06999	8.2
119.08593	66.8
121.10139	55.8
123.08012	4.8
123.11703	19.1
131.08556	20.1
133.10133	50.2
135.08058	6.6
135.11707	36.3
143.08522	8.7
145.10161	27.7
147.11691	31.8
149.09621	8.7
149.13257	34.9
155.08461	4.9
157.10126	8.4
159.11703	27.3
161.13284	28.7
163.11145	9.7
163.14853	32.1
165.16295	5.4
171.11621	6.5
173.13264	10.0
175.14853	33.6
177.16397	31.7
187.14801	18.6
189.16437	32.0
191.17949	33.5
201.16412	22.1
203.17957	79.1
205.15834	17.5
207.17479	5.9
213.16409	15.4
215.17920	10.1
217.19481	5.2
223.16931	7.4
229.19521	5.4
231.17381	12.8
231.21040	12.0
243.20895	4.9
249.18394	7.6
391.33496	9.3
409.34659	22.3
427.19281	17.1
427.36038	48.3
433.08853	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	427.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01866	8.3
55.05513	100.0
55.09910	2.3
56.87695	1.9
57.03440	22.0
67.05506	42.8
69.03434	17.0
69.07066	22.7
71.04993	7.3
79.05493	67.6
81.03416	90.5
81.07052	53.7
83.04987	22.6
83.08154	3.6
83.08622	53.0
85.02905	33.4
85.06551	2.4
87.04454	2.4
89.83844	1.9
91.05485	39.4
93.07046	19.5
95.04974	29.2
95.08614	10.0
97.02883	9.1
97.06510	5.5
97.10174	48.9
98.21518	5.4
105.07030	23.8
107.04938	9.8
107.08595	31.6
109.02876	3.2
109.06507	7.1
109.10165	6.2
111.04452	4.0
111.08054	12.6
113.06004	3.8
117.07088	2.6
119.08585	22.1
121.06550	2.0
121.10170	11.6
123.08077	5.7
123.11758	3.4
125.09624	35.0
127.03877	3.0
129.07004	9.8
131.08611	15.1
133.10155	10.9
133.10992	1.9
135.04434	2.6
135.11687	2.7
139.11139	2.9
142.07790	3.7
143.10686	8.2
145.10092	4.6
147.08055	4.9
147.11703	17.2
149.09624	5.5
152.36346	2.0
157.10127	16.8
163.11168	2.1
165.12810	5.6
175.11227	22.5
178.37056	2.2
181.12167	2.6
193.12251	87.3
199.13370	13.2
211.13283	73.6
217.14349	12.9
267.15906	15.9
285.17010	10.8
299.20001	2.2
317.21075	7.4
335.22134	8.2
355.21976	2.1
409.26080	16.2
427.19492	7.0
427.26883	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.6
57.07073	2.3
67.05504	18.2
68.37201	1.6
69.03421	1.8
69.07063	18.2
71.05026	2.1
72.30593	1.5
79.05495	22.3
81.07062	36.7
83.08620	10.1
86.09705	5.1
91.05475	15.2
93.07053	35.0
95.04974	2.1
95.08610	79.9
97.06494	2.8
97.10156	4.3
97.61854	1.8
98.21632	3.3
105.07036	38.1
107.08594	83.4
109.06528	2.7
109.10157	48.0
117.06999	4.0
119.08587	44.7
121.06481	2.1
121.10151	53.7
122.10432	1.9
123.08113	1.8
123.11713	11.5
131.08545	12.9
133.10127	40.4
135.08022	3.6
135.11697	23.9
137.13240	3.5
143.08549	5.1
145.10114	21.9
147.11690	34.2
149.09552	2.4
149.13271	26.7
151.11215	2.5
157.10150	3.8
159.11736	16.9
161.13249	26.3
163.11136	6.2
163.14824	20.3
171.11716	4.3
173.13266	8.5
175.14809	23.9
177.12737	5.7
177.16397	19.0
179.17868	2.2
185.13281	4.2
186.14909	4.9
187.14864	17.1
189.12785	2.3
189.16376	18.4
191.14265	2.1
191.17970	15.4
195.13794	7.7
199.14822	4.0
201.16394	8.0
203.17969	100.0
205.15895	34.8
205.19362	2.0
213.16406	4.2
215.18021	5.5
217.15984	2.1
217.19550	4.3
219.17450	6.8
223.16942	22.6
231.17455	4.8
231.21011	4.0
241.19632	2.2
243.20912	1.9
249.18719	1.9
257.22787	1.9
283.48926	1.7
295.24109	3.0
304.64264	1.7
313.25333	5.0
391.33661	7.0
409.34708	22.8
427.35867	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
53.03949	14.4
55.01666	1.8
55.01878	16.4
55.05513	17.3
57.03442	22.1
57.07089	2.3
59.04993	2.3
61.02924	2.5
65.03951	1.7
67.05505	23.9
69.03432	45.3
69.07067	8.2
71.05001	16.7
73.02927	2.1
76.85158	1.4
79.05497	28.6
81.03422	100.0
81.07056	20.6
83.01353	3.5
83.04986	34.9
83.08622	9.1
85.02903	15.3
85.06537	2.1
86.98386	1.5
87.04473	3.0
91.05500	14.8
93.07047	32.3
95.04993	8.5
95.08623	16.0
95.41798	1.5
97.02892	38.6
97.06533	9.7
97.10188	4.2
98.21516	5.0
99.04461	17.4
101.02399	2.0
105.07037	9.3
107.04957	6.7
107.08604	21.3
109.02892	21.0
109.06516	3.9
109.10143	9.1
111.04449	20.8
111.08066	8.6
117.07037	5.7
119.08563	10.0
121.06512	1.8
121.10148	10.1
123.04457	3.1
125.05943	2.5
125.09639	4.0
127.03920	30.7
129.07033	2.1
131.08571	5.0
133.10146	3.0
135.08064	2.7
135.11717	22.4
137.09669	2.5
139.07626	2.0
145.05069	2.0
145.10130	14.2
147.08069	2.4
149.09628	3.0
153.12749	24.9
155.08588	2.4
159.11763	2.6
163.11188	28.3
173.09659	5.3
181.12231	19.4
183.06516	1.9
189.11214	2.6
191.10677	11.3
209.11790	14.5
223.13181	2.3
227.12798	42.5
263.12872	2.9
283.15378	3.9
353.15948	16.6
409.18762	2.2
427.19678	83.9
428.19943	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	427.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17089	30.8
56.99237	29.7
58.10001	26.2
62.46600	27.2
65.61730	30.1
67.19579	28.0
70.06578	53.4
81.03410	31.9
104.59600	32.0
105.49391	26.4
107.04965	48.0
109.06479	33.9
161.09625	42.7
163.11046	35.2
180.52438	33.6
294.61188	30.4
344.65186	34.6
381.44861	35.5
427.09891	41.4
427.18588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03750	1.5
53.03947	18.5
55.01870	14.9
55.05510	17.9
57.03437	20.0
57.07075	2.3
59.04985	3.6
61.02921	3.0
62.88190	1.6
67.05504	21.0
68.75280	1.8
69.03436	45.0
69.07059	7.6
69.86436	3.2
69.86826	4.6
71.04995	16.1
76.72813	1.6
79.05489	23.9
81.03422	100.0
81.07062	23.7
83.01314	3.8
83.04987	34.0
83.08624	10.3
85.02910	15.6
87.04446	3.7
88.07592	2.3
91.05492	12.8
93.07046	35.0
93.69690	1.8
95.04958	5.7
95.08621	13.0
97.02895	38.4
97.06536	8.8
97.10145	5.1
97.37189	1.7
99.04459	14.1
99.08110	2.3
105.07037	7.2
107.04944	6.1
107.08601	18.6
109.02882	22.9
109.06512	4.4
109.10173	4.9
111.04453	21.5
111.08074	10.9
117.07034	5.4
119.08575	9.6
121.06505	4.1
121.10157	9.0
122.75480	1.6
123.04422	2.8
123.08080	5.6
123.11670	1.9
125.05977	1.6
125.09657	3.7
127.03927	23.2
129.07022	1.7
131.08553	4.4
133.10165	2.5
135.04399	1.6
135.11714	25.8
143.08597	2.2
145.06517	1.9
145.10098	14.1
147.11644	3.0
153.12752	27.0
163.11192	27.3
173.09662	4.4
181.12282	19.7
189.11217	2.8
191.10641	10.4
209.11687	13.4
227.12794	37.9
263.12839	2.2
283.15445	3.0
283.88440	1.8
353.16125	11.7
422.91092	1.6
424.69009	2.1
427.19672	83.8
439.27267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03948	4.0
55.05506	22.8
57.07069	9.6
57.66114	2.0
63.08941	2.0
65.03928	3.8
67.05177	3.7
67.05505	33.0
69.07073	54.3
69.84792	5.7
69.85204	6.4
71.05002	6.2
71.08640	4.1
79.05496	17.1
81.07059	100.0
83.04976	2.5
83.08632	18.7
85.06514	2.3
85.10151	2.5
86.09721	6.3
89.06058	3.3
91.05481	15.9
93.07052	50.9
93.07644	3.2
95.04968	3.2
95.08611	87.3
97.10174	9.3
105.07032	34.7
107.08604	66.1
107.12688	2.3
109.10166	68.0
111.00550	3.1
111.11762	7.6
114.96271	2.2
117.06984	3.3
119.08588	40.3
121.10146	54.1
123.11700	27.0
125.09644	4.7
127.11179	6.2
131.08574	10.8
133.08687	2.7
133.10133	24.8
135.11696	37.2
137.13271	18.9
139.11208	3.1
141.06982	2.7
143.08592	3.5
145.10118	19.3
147.11687	29.1
149.13263	38.3
151.11101	3.1
151.14825	2.7
157.10132	6.3
157.98770	2.1
159.11731	19.8
160.12520	4.0
161.13275	23.5
163.14818	14.4
171.11702	4.0
173.13245	17.2
175.14854	19.2
177.16437	18.0
184.07411	5.9
185.13353	3.2
187.14830	13.3
189.16441	16.4
191.17975	15.7
195.17421	3.0
197.13232	2.6
199.14775	5.5
201.16412	10.1
203.17990	16.0
213.16473	3.9
215.17943	8.4
217.19467	12.7
221.19330	2.4
227.18015	6.2
229.19473	11.8
231.21153	5.4
241.19411	2.6
257.22601	8.0
259.24200	4.5
269.22635	3.5
271.24365	4.2
285.25751	4.7
299.27280	3.2
318.01456	3.1
327.79260	2.6
407.36908	15.7
425.38025	55.0
426.38156	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	10.8
57.07070	8.9
67.05506	28.4
67.08304	1.8
69.07074	25.9
69.14388	4.2
69.14794	19.3
71.08646	2.9
73.64000	1.9
79.05501	14.8
80.58830	2.0
81.07056	55.8
83.08604	10.0
85.06567	2.5
89.06054	2.6
91.04874	1.7
91.05461	10.9
92.64023	2.1
93.07047	31.5
95.08614	97.9
97.06525	3.6
97.10159	6.5
105.07015	20.0
107.08601	52.2
108.49181	2.2
109.10166	68.1
111.08103	3.5
111.11710	7.4
117.07076	3.1
119.08588	30.4
121.10156	40.4
123.08093	4.1
123.11707	22.1
131.08559	4.0
133.10149	21.6
135.11691	30.4
137.09654	3.1
137.13263	18.0
145.10158	10.3
147.11670	16.9
149.13277	16.7
151.14861	2.9
155.12691	2.0
159.11690	11.0
161.13286	18.3
163.14822	13.3
173.13249	6.2
175.14865	10.1
177.16455	8.6
179.14296	4.0
185.00143	2.2
187.14841	6.7
189.16379	14.4
190.16910	2.9
191.17934	24.7
200.13730	2.5
201.16406	7.2
203.17963	10.8
205.19560	7.9
207.17471	5.1
213.16478	2.4
215.17854	10.8
217.19516	7.2
219.17390	3.3
229.19629	6.3
231.21109	6.3
243.21135	6.3
245.22723	6.2
247.20584	13.1
247.60275	2.1
255.21265	3.8
257.22678	2.7
259.24344	2.2
261.22241	5.2
269.22650	3.9
271.24295	8.8
287.23538	2.9
350.94177	2.1
407.36813	17.9
425.37900	100.0
425.46005	4.0
426.38214	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05514	13.6
57.07068	6.6
63.35597	2.1
67.05510	26.3
68.46289	2.5
68.53815	2.6
69.07073	21.5
71.00601	4.1
71.08620	4.7
79.05486	19.7
81.06599	3.6
81.07060	60.1
81.50717	2.3
83.08616	9.8
89.06023	4.1
91.05467	17.3
93.07048	40.9
95.08613	100.0
97.10185	9.8
105.07032	37.8
107.08599	59.8
109.10159	59.4
109.10851	5.4
111.11694	5.6
114.66172	2.6
119.08588	36.2
121.09338	4.3
121.10151	52.1
123.11715	29.1
131.08589	7.5
133.10144	20.1
135.11700	29.3
137.13274	15.7
139.11176	4.9
141.07069	2.4
145.10141	11.8
147.11714	23.1
149.13269	38.7
151.11151	2.5
157.10068	3.5
159.11710	10.7
161.13287	26.8
163.14850	26.9
165.09093	4.9
165.12711	2.9
171.11711	2.6
173.13266	8.4
174.04079	2.5
175.14842	15.7
177.16347	22.3
179.14331	11.0
187.14813	9.4
189.16388	18.1
191.17972	40.7
201.16400	8.1
203.17926	22.8
205.19507	13.0
207.17480	4.0
213.16438	3.3
215.17960	8.1
217.19522	35.4
229.19568	7.3
231.21060	4.3
233.18979	12.2
235.20512	5.3
241.70178	2.6
243.21155	3.5
245.22617	3.9
257.22601	5.6
269.22842	2.6
299.27377	2.2
315.43784	2.3
358.30579	2.5
407.36731	15.6
425.22101	2.4
425.38110	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03945	6.2
55.05515	24.4
57.07080	12.8
65.03965	3.9
67.05506	39.3
69.03450	2.9
69.07073	46.6
69.50091	18.5
71.04984	5.9
79.05503	22.7
81.07059	94.2
83.04985	3.3
83.08629	20.9
86.09728	8.8
89.06049	3.4
91.05475	21.5
93.07049	52.6
93.45204	3.5
94.22959	3.0
95.04982	4.4
95.08610	100.0
97.06539	5.9
97.10173	11.7
98.21535	5.1
105.07034	32.1
105.92094	2.6
107.08601	58.0
109.06522	3.9
109.10159	75.2
110.33595	2.3
111.11713	6.8
112.68159	2.5
117.07047	6.4
119.08593	43.5
121.10152	44.7
123.08118	4.1
123.11717	31.8
124.99974	4.1
125.09654	3.4
127.11220	5.3
131.08562	8.6
133.10118	29.8
135.11700	37.7
135.12617	4.2
136.12050	2.6
137.13234	15.9
139.11194	2.7
142.07741	2.8
143.08624	4.2
145.10136	16.2
147.11696	36.7
148.35649	2.7
149.13275	35.8
151.07565	5.3
157.10162	7.4
159.11722	19.1
161.09637	3.3
161.13252	24.9
163.14827	24.7
165.09167	3.0
167.07022	37.7
171.11685	5.6
173.13275	15.7
175.14796	17.6
177.16388	17.5
179.14282	3.2
183.11818	4.8
184.07367	22.0
185.13254	4.8
187.14848	10.9
189.16443	14.5
191.17957	10.7
193.15854	3.5
199.14861	4.8
200.15323	3.1
201.16391	12.6
203.17963	16.3
211.14784	3.4
213.16431	4.2
215.18008	12.8
217.19603	10.4
227.18013	5.7
229.19591	12.0
231.21049	7.5
239.14592	4.1
245.22607	5.2
255.21170	5.3
265.92700	3.7
269.22525	3.0
271.24268	4.4
273.25723	2.9
283.61182	2.6
285.25800	5.3
301.21426	3.2
325.28949	5.4
337.28488	3.0
343.29926	4.8
369.31531	3.0
407.36737	16.6
425.38165	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.2
55.10656	4.5
57.07076	8.8
64.32321	5.8
67.05505	23.9
69.07066	33.2
69.41981	10.6
69.42386	31.2
71.04979	7.3
79.05495	21.1
81.07075	56.1
83.08620	16.6
89.06081	6.9
91.05492	21.8
93.07055	65.2
95.08618	95.5
97.10177	8.6
105.07034	43.5
107.08609	78.8
109.06518	4.8
109.10155	70.0
119.08589	67.0
120.53403	4.6
121.10162	65.7
123.11717	30.2
127.11232	12.6
133.10115	51.7
135.11705	59.8
137.13307	16.6
145.10161	18.8
147.11713	48.4
149.13283	63.3
159.11694	28.4
161.13260	27.3
162.25957	4.9
163.14841	14.9
173.13264	5.8
175.14836	18.0
177.16420	8.8
182.83665	5.2
187.14871	11.0
189.16403	27.5
191.17950	100.0
201.16388	14.0
203.17982	45.1
205.19574	16.1
215.18027	10.1
217.19516	38.1
219.20926	5.3
233.19022	8.3
239.14719	7.5
257.22690	11.7
365.31680	5.9
407.36603	14.0
418.28815	6.3
425.38144	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	425.3417
Annotation	Maragenin II
Peak:m/z	Relative Intensity
52.53083	3.5
53.03933	3.9
53.27899	4.1
55.05514	21.5
67.05503	42.1
69.07079	34.5
70.09256	9.9
70.09646	11.3
74.66455	4.5
78.77521	4.1
79.05494	33.6
81.03410	4.7
81.06591	5.7
81.07061	75.6
83.04961	15.7
83.08597	12.2
91.05486	37.5
93.07042	71.2
95.04965	9.8
95.08612	100.0
96.42826	3.9
96.54899	4.0
97.10165	8.3
105.07031	73.6
107.08600	91.1
107.20577	4.0
109.06543	5.0
109.10165	56.2
111.08089	6.2
117.06995	14.3
119.08595	84.0
121.10160	76.5
123.08063	9.3
123.11750	26.7
125.06078	4.8
125.09612	7.2
129.07033	5.5
131.08594	39.6
133.10139	64.8
135.11685	39.9
143.08528	20.3
145.10130	54.9
147.11705	39.0
149.13266	36.4
151.11169	11.0
155.08508	4.4
156.09361	4.3
157.10141	23.4
158.10652	4.8
159.11725	41.0
161.09683	4.7
161.13266	26.7
163.11215	5.1
163.14883	35.0
165.12727	4.8
169.10059	7.2
171.11688	15.9
173.13245	38.8
175.14854	40.6
177.16356	16.7
183.11729	8.1
185.13321	8.8
187.14813	53.1
189.16418	24.2
191.14278	12.1
191.17963	12.8
197.13197	5.1
199.14807	16.8
201.16382	38.5
203.17950	22.1
205.15901	13.2
211.14665	5.8
213.16342	33.0
215.14619	5.0
215.18002	34.3
217.15887	8.9
219.13837	12.7
225.16490	8.0
227.17984	11.4
229.19511	6.9
239.18076	6.6
241.19533	6.6
243.21088	12.7
245.18866	4.6
248.49751	4.4
253.19357	6.0
255.21046	18.1
267.20990	13.2
269.22714	9.7
271.20782	4.6
281.22534	4.5
283.24274	5.8
335.27313	5.2
379.33490	4.8
385.09213	5.0
389.31995	10.4
407.33109	73.3
425.34369	84.8
426.34756	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05519	7.9
55.05725	1.2
57.03445	1.7
57.07063	5.8
59.07546	1.2
59.52418	1.3
65.03917	2.0
67.05505	20.6
69.03414	5.7
69.07072	17.4
69.13582	13.7
71.08620	1.4
77.03973	1.1
79.05505	14.3
81.07056	32.7
83.04975	2.1
83.08602	7.6
85.06535	1.6
89.06038	2.7
91.05483	13.7
93.07044	30.5
94.07850	1.4
95.04938	2.7
95.08610	39.4
97.06502	2.5
97.10196	2.9
100.30848	1.4
103.05444	1.6
105.06406	1.8
105.07040	22.6
107.04954	2.2
107.08594	45.9
109.06508	3.7
109.10163	33.1
111.08088	2.6
117.07051	4.3
118.37009	1.2
119.06104	1.6
119.08588	38.5
121.06575	1.8
121.10147	37.1
123.08062	6.7
123.10954	1.8
123.11720	19.1
124.99076	1.1
125.09602	3.3
129.07002	2.9
131.08559	10.9
133.06488	3.3
133.08633	2.2
133.10144	24.3
133.98033	1.5
135.08087	2.2
135.11694	25.8
137.09669	2.5
137.13239	5.8
139.11192	4.2
142.07744	1.7
142.19337	1.5
142.25092	1.3
143.08563	8.1
144.09276	1.7
145.10123	17.7
147.08075	4.4
147.11700	20.5
149.09636	2.8
149.13252	14.0
150.05901	1.4
151.11174	12.1
155.08543	2.6
156.09381	2.5
157.10141	13.8
158.10957	1.8
159.11707	17.0
161.09615	2.3
161.13269	15.4
163.11163	7.3
163.14851	9.9
165.12756	20.5
167.14288	5.4
169.10152	3.3
171.11696	9.5
173.13255	14.7
175.11220	4.1
175.14830	10.7
177.12718	6.5
177.16353	2.8
179.14331	9.2
183.11714	4.6
185.13383	6.5
187.11205	2.1
187.14825	12.8
189.12732	8.5
189.16394	9.4
189.22191	1.5
191.14270	9.6
191.18018	1.9
197.13239	5.5
199.14908	7.2
200.15587	1.5
201.12808	2.1
201.16432	5.8
203.14297	12.1
203.17967	3.5
205.15892	4.6
209.13287	2.4
211.14758	2.8
213.16423	4.3
215.17976	8.3
217.15912	18.1
217.19444	1.9
219.17442	2.3
223.14761	2.5
225.16417	1.4
227.17978	5.7
229.15936	1.6
229.19579	4.5
231.17413	4.0
233.19035	1.8
237.16336	1.6
239.17981	2.3
241.15828	2.4
241.19553	4.8
243.17413	2.2
243.21106	19.5
245.18968	4.8
253.19522	6.6
255.20988	1.8
257.19061	5.4
259.20673	2.1
261.22144	17.0
265.19562	1.8
267.21060	3.8
269.22635	4.0
271.20554	9.9
273.22226	2.6
285.22177	6.0
389.31924	4.2
407.33011	21.9
425.21765	2.9
425.34149	100.0
426.34485	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.93370	1.9
53.03936	2.7
55.05515	14.7
57.07068	3.8
60.64842	1.8
67.05508	27.0
69.07072	16.2
70.68996	5.0
79.05488	21.2
81.07061	79.0
83.08618	12.2
84.74776	1.7
91.05482	22.1
93.07050	48.9
95.04974	2.1
95.08613	78.5
96.08981	1.9
97.10151	5.0
105.07033	42.0
107.08603	59.8
109.06544	2.8
109.10165	61.7
111.11721	2.1
117.07021	6.1
119.08586	59.2
121.06552	2.3
121.10146	52.1
123.08025	3.3
123.11713	42.5
125.09636	2.8
127.05099	1.8
129.06978	2.7
131.08557	17.9
131.38644	1.6
133.10133	42.3
135.08058	3.9
135.11697	52.4
137.09618	2.9
137.13263	6.0
143.08575	9.4
145.10126	30.1
147.11707	37.3
149.13283	21.7
151.07512	2.0
153.09103	4.7
157.10129	7.8
159.11682	20.5
161.09743	2.8
161.13257	17.3
163.11230	2.5
163.14848	24.1
165.16414	4.2
167.10675	2.8
169.10143	2.2
171.11707	8.1
172.12534	2.2
173.13277	15.7
175.11317	1.9
175.14850	27.3
177.09160	1.9
177.12953	1.9
177.16397	40.5
177.17842	2.5
179.14249	1.9
185.13281	6.9
187.14838	22.5
189.16374	43.8
191.17987	14.0
195.11732	2.1
197.13240	2.4
199.14848	7.8
201.16373	24.2
203.14276	9.2
203.17987	34.9
205.15875	15.5
205.19594	6.5
207.17540	2.3
213.16429	6.3
215.17970	34.9
217.15913	3.3
217.19559	5.7
219.13788	2.1
221.15366	3.2
223.17021	3.0
227.18008	7.2
229.19566	5.9
235.16962	2.1
240.94841	1.7
241.19550	8.8
243.21144	19.5
243.75446	2.2
247.16902	3.8
249.18678	4.8
253.19470	3.3
255.21074	11.1
257.22897	4.7
261.18481	25.1
269.22684	8.3
271.24292	2.6
287.20148	3.7
289.21603	10.3
301.21701	6.6
303.22986	1.9
309.25729	1.8
329.24869	2.2
355.26077	3.6
379.33636	15.7
389.32089	3.5
407.33249	12.5
425.34213	100.0
426.34436	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	425.3419
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03954	1.9
55.05513	15.9
57.07082	3.5
65.03958	2.2
67.05515	29.2
68.05828	2.7
69.03462	1.9
69.07075	20.5
77.03923	1.8
79.05502	23.9
81.07067	58.9
82.07396	2.3
83.04996	2.9
83.08633	10.1
85.06563	1.9
91.05495	25.5
93.07053	50.4
95.04948	1.7
95.08615	100.0
96.08972	2.0
97.06541	3.2
97.10181	6.8
98.20761	5.2
105.07043	52.4
107.04935	1.6
107.07881	3.8
107.08610	73.6
107.29245	1.6
109.06537	3.7
109.10172	49.7
110.10491	2.8
111.08111	3.2
117.07011	10.0
119.08595	62.9
120.08921	2.4
121.06525	2.8
121.10155	56.1
123.08093	2.3
123.11740	13.6
125.09623	3.4
128.06218	1.6
129.07051	3.1
131.08582	20.9
133.10146	42.1
135.08023	2.2
135.11705	23.0
137.09613	2.8
137.13281	6.6
142.07805	2.4
143.08607	11.6
144.09337	1.7
145.10138	32.6
147.11728	32.0
149.09636	2.7
149.13278	31.4
151.11115	1.8
155.08522	2.2
156.09351	2.5
157.10129	10.8
158.10905	2.1
159.11702	30.4
161.09622	3.2
161.13275	24.1
163.11169	3.6
163.14836	34.9
163.16112	3.2
165.09096	2.8
165.16484	2.8
167.10739	1.7
169.10161	4.5
170.10927	2.3
171.11700	7.8
173.09590	1.6
173.13274	19.6
175.11317	2.0
175.14839	32.0
177.12746	4.6
177.16412	31.0
179.10681	1.6
183.11678	5.0
185.13286	10.0
185.14705	1.6
187.14830	27.4
189.12753	2.6
189.16389	28.8
191.14317	12.0
191.17961	9.1
193.12329	3.1
197.13371	3.1
199.14948	8.4
201.12935	1.8
201.16415	18.8
203.14340	15.8
203.17984	30.4
203.71886	1.6
205.15918	3.9
205.19518	3.4
207.17574	2.1
211.14868	3.7
213.16391	7.1
215.14453	2.7
215.17996	13.2
217.15849	4.1
217.19537	5.2
219.13872	6.4
221.15341	8.7
225.16447	2.0
227.17998	5.2
229.16026	3.8
229.19627	9.7
231.17374	2.6
231.21254	2.8
235.17076	4.4
237.16338	2.1
241.19591	4.9
243.21262	4.0
247.16920	3.7
255.21130	13.7
257.22644	3.0
261.18509	2.7
269.22717	5.9
275.20081	2.1
279.21112	1.8
283.24228	3.8
284.17322	1.8
295.24280	2.0
301.21637	5.9
311.23737	4.5
329.24829	5.1
333.42917	1.9
340.23575	3.2
355.26367	2.9
379.33423	6.2
389.32101	6.9
403.69147	1.9
407.33191	20.0
425.28287	3.8
425.34180	89.3
426.34488	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03927	3.3
55.05508	13.8
57.07063	5.9
62.07821	1.9
67.05505	26.4
69.03414	3.0
69.07065	26.7
70.02287	9.3
79.05489	24.1
81.07059	50.3
82.07365	2.9
83.04974	3.9
83.08632	11.6
91.05486	28.1
93.07044	62.4
95.04934	3.5
95.08608	85.1
97.06562	2.8
97.10169	6.8
99.08086	9.3
105.07033	70.5
107.08593	89.0
109.06487	5.7
109.10159	48.3
111.08073	4.9
117.06972	12.5
119.08585	88.2
121.06472	4.0
121.09330	4.8
121.10146	61.6
123.08098	6.6
123.11679	12.6
125.09629	4.9
129.06999	3.9
130.07803	4.3
131.08574	36.9
133.10129	59.8
135.08089	6.7
135.11684	33.9
137.09641	5.9
137.13283	5.5
141.06967	3.0
143.08554	9.6
144.09322	3.3
145.10130	64.1
147.11693	63.3
149.09657	4.2
149.13278	38.7
151.11188	3.3
156.09396	3.3
157.10112	14.7
158.10915	4.8
159.11694	55.7
161.09634	2.3
161.13257	29.8
163.11195	12.6
163.14827	36.5
169.10204	5.3
170.10796	3.6
171.11673	16.6
172.12457	4.4
173.13252	37.4
175.11179	5.7
175.14810	32.2
177.12769	5.5
177.16393	26.7
179.14337	2.4
183.11691	6.9
185.13306	15.0
187.14844	65.0
189.16396	36.3
191.14311	6.2
191.17921	3.8
197.13293	2.9
199.14786	13.4
201.16386	96.4
203.14276	3.9
203.17932	40.8
205.15887	46.6
206.73230	2.5
207.17381	6.3
211.14856	4.0
213.16415	7.3
215.14452	3.8
215.17987	13.5
217.15958	7.2
217.19443	3.6
219.17494	10.5
223.15044	4.0
223.16887	17.5
227.17984	9.9
229.19627	7.6
231.17535	5.2
233.18990	3.1
241.19559	7.6
243.20987	2.6
245.18990	3.8
251.17938	2.7
255.20961	13.9
257.19058	2.9
259.20627	3.0
269.22739	4.9
301.21692	6.2
335.27350	3.0
389.32034	4.8
395.32935	4.7
407.33176	30.9
425.34192	100.0
426.34396	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	425.3419
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05516	8.8
57.07081	2.2
67.05519	14.3
69.07066	7.3
69.07401	1.8
79.05495	13.9
81.03401	2.0
81.07069	34.1
82.06583	2.3
83.04984	5.2
83.08630	7.2
85.06553	3.0
90.99294	1.6
91.05477	12.5
91.86903	1.6
93.07059	21.3
94.49447	1.8
95.04960	2.3
95.08623	39.6
96.04503	1.7
97.06538	2.0
97.10180	4.0
103.91019	1.5
105.07047	29.1
106.06565	3.4
107.08605	34.9
109.06467	1.8
109.10161	25.3
111.08128	3.4
115.05466	3.0
117.07024	10.6
119.08597	25.7
121.10166	25.0
123.08119	2.3
123.11719	10.5
124.03978	3.1
125.09659	2.4
128.06262	2.1
128.07112	6.3
129.07042	2.5
130.06541	1.6
131.08600	13.6
133.10121	22.7
135.08107	2.5
135.11700	13.5
137.13272	3.1
142.07808	2.2
143.07419	3.0
143.08574	9.0
144.08101	100.0
145.10141	17.7
147.11703	14.9
149.13255	15.7
151.11255	3.3
157.10153	7.8
158.09731	2.6
159.11659	17.6
161.13293	13.8
163.14879	18.3
167.13985	1.7
170.09651	9.7
171.11755	6.7
173.13316	11.3
175.14835	11.2
177.16411	8.0
180.10228	3.0
183.11797	2.9
185.13269	4.3
187.14859	19.8
189.16376	12.0
191.14340	4.1
191.17982	2.7
197.10765	3.0
199.14882	5.2
201.16444	11.8
203.14386	3.6
203.18007	5.2
205.15923	3.2
208.09612	2.0
211.14859	2.1
213.16420	12.7
215.14432	2.0
215.17949	12.1
217.15996	1.8
219.13881	5.5
219.17479	2.8
220.09723	3.2
222.09225	2.7
223.14975	2.1
224.13008	1.9
225.16470	2.4
227.17998	5.1
229.19594	6.5
241.19666	5.9
242.20477	1.9
243.17557	2.2
243.21179	5.2
250.10971	4.0
251.17886	1.9
253.19682	2.1
255.21158	8.8
267.21118	4.5
269.22641	2.1
282.13547	19.6
294.13428	2.4
301.21710	3.1
311.23749	4.1
319.14584	3.6
329.24933	2.0
351.17041	26.6
355.26392	2.0
389.32043	4.6
407.33185	28.8
425.20822	63.4
425.34195	38.1
426.21182	2.9
426.34695	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03937	4.3
55.05517	22.0
57.07075	5.7
63.35539	2.4
64.16888	2.5
67.05511	30.7
69.03435	6.0
69.07066	24.4
69.41693	6.7
69.42105	12.4
71.04984	4.0
79.05495	26.8
81.03403	3.5
81.07059	41.7
83.04984	5.1
83.08604	10.9
91.05470	29.6
93.07042	53.7
95.04965	6.7
95.08610	75.0
97.10198	7.0
98.21529	3.8
105.07030	73.2
105.07698	5.2
106.07384	2.4
107.08598	85.8
109.06512	5.6
109.10164	43.9
111.08076	4.4
115.05334	3.6
117.07033	11.5
119.08584	85.9
120.08892	2.7
121.06516	5.4
121.10151	63.2
123.08083	4.1
123.11716	15.9
125.09621	6.8
128.06332	2.4
129.07054	3.8
130.07770	3.5
131.08565	48.3
133.09138	3.2
133.10136	57.0
135.08054	10.0
135.11699	33.1
137.09610	7.4
137.13281	5.1
139.11134	2.4
143.08572	10.6
144.08076	9.3
144.09259	4.0
145.10121	70.3
147.10646	4.4
147.11690	40.2
149.09581	4.3
149.13264	27.3
151.11208	8.1
153.14557	2.3
156.09363	3.0
157.10127	11.9
158.10933	2.8
159.11700	59.3
161.09633	5.0
161.13275	35.9
163.11220	14.6
163.14822	26.8
165.12782	3.7
171.11621	12.7
172.12508	4.6
173.05905	2.3
173.13277	33.3
175.14838	36.8
176.15292	3.0
177.12758	9.5
177.16373	29.4
179.14359	4.1
183.11726	6.8
185.13237	14.9
187.14821	47.6
189.16402	37.2
191.14316	17.5
191.17950	9.4
193.15994	4.5
197.13228	4.6
199.14821	10.9
201.16396	84.6
202.16576	2.8
203.14423	4.5
203.17946	38.1
205.15903	60.4
206.16557	3.9
207.17462	7.5
213.16435	11.1
215.14522	5.6
215.18036	16.9
217.15979	3.9
217.19569	8.1
219.17450	41.7
221.19046	4.3
223.15044	3.0
223.16934	15.2
225.16560	3.0
227.18036	4.3
229.15833	4.3
229.19580	3.1
231.17445	2.9
233.19164	4.4
235.20612	3.2
241.19533	42.3
243.21086	4.3
255.21181	5.2
389.31995	6.9
395.33170	7.6
407.33133	34.8
408.33487	3.2
425.20822	4.1
425.28073	5.5
425.34149	100.0
426.34689	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
69.29307	0.5
71.49018	0.6
81.03438	0.5
91.05467	1.9
101.00908	0.5
104.03355	0.5
107.04912	0.5
108.94333	0.4
143.01764	0.4
159.35187	0.4
164.31389	0.4
293.09836	1.8
295.11514	1.2
311.09827	1.2
379.03082	0.4
425.14178	100.0
426.14584	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2071
Annotation	Benazepril
Peak:m/z	Relative Intensity
54.03460	1.3
55.05496	1.2
67.05490	1.8
69.07056	0.7
70.14259	0.9
70.14652	0.9
76.10502	0.4
77.04622	0.4
79.05479	1.5
81.07051	1.4
82.02917	0.5
82.06590	2.5
84.04501	0.5
85.06557	2.8
86.09684	0.4
89.00773	0.4
91.05482	0.9
92.81155	0.4
93.07044	1.1
95.04961	1.5
95.08591	1.4
96.04488	2.9
103.05482	0.7
105.07030	2.4
106.06591	3.1
107.08598	2.2
109.10184	1.2
114.05550	0.5
115.05434	1.2
116.07077	1.1
117.07016	7.3
119.08591	1.8
120.08091	0.6
121.10141	1.5
124.03985	3.8
125.00018	0.4
127.07543	1.1
128.06212	0.6
128.07079	5.8
129.06993	1.0
130.06514	1.8
131.08614	0.7
133.10121	1.6
135.11684	0.5
139.03888	0.5
143.07306	4.1
143.08554	1.4
144.08087	100.0
145.06525	0.4
145.08427	1.5
145.10104	1.4
146.05994	0.6
147.11690	0.6
149.13245	0.8
153.05476	1.1
155.06081	0.9
155.07271	1.5
155.08459	0.5
156.08031	0.6
158.09659	1.7
159.11598	0.4
161.13229	0.6
167.07173	0.8
168.08078	1.3
170.09668	8.1
173.13161	0.6
175.14876	0.6
180.08122	1.5
180.10191	3.4
182.09671	0.9
183.11664	0.6
184.07376	1.4
187.14850	0.9
194.08113	0.6
194.09679	1.9
197.10762	2.6
202.08655	0.8
203.14410	0.8
204.08134	0.8
205.15907	1.0
208.09668	0.9
209.10661	0.9
215.17920	0.5
218.08130	0.7
220.09656	3.2
222.09135	4.2
222.12852	0.7
223.12309	1.5
224.13113	1.6
250.08562	2.0
250.10808	3.0
255.20950	0.5
258.27341	0.5
282.13483	21.9
283.13708	0.5
294.13422	2.2
319.14502	2.4
323.17545	0.7
349.16928	0.6
351.17065	21.5
352.17111	1.0
407.33350	0.8
425.20740	59.9
426.21118	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89596	0.6
69.68486	3.8
81.03431	1.2
82.99822	3.3
89.05242	0.7
94.99853	0.7
97.02906	0.7
101.00891	20.7
109.02875	1.0
112.25938	0.7
113.00866	6.0
119.01923	12.9
127.02427	5.4
129.04016	0.8
131.01921	6.0
131.05037	0.6
137.00853	0.9
139.02400	1.9
143.01904	46.9
145.03503	7.3
153.01857	1.0
153.03951	1.2
155.01898	17.4
157.03497	4.8
161.02966	38.2
162.03070	0.8
167.01906	13.7
169.03526	4.7
171.05037	2.0
173.02972	16.2
174.96973	0.8
179.01910	7.1
185.02974	31.5
186.03148	1.0
187.04536	4.7
191.03975	3.3
197.01245	1.1
197.02962	13.1
203.04022	13.1
209.02968	1.6
215.04054	6.9
221.05132	1.5
227.04016	7.2
233.05013	0.8
245.05086	100.0
246.05203	4.0
257.05096	5.4
263.06128	25.1
264.06458	1.0
275.06134	14.1
286.89337	0.7
293.07220	3.0
295.41333	0.6
305.07169	8.5
335.08194	2.2
365.09277	5.6
425.11282	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	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99850	0.8
71.18464	1.3
76.10155	0.7
78.90437	0.6
80.01714	0.6
82.99831	4.3
93.62032	0.6
94.99828	0.8
95.63692	0.6
101.00887	21.8
109.02869	0.9
113.00878	7.7
115.02462	0.7
119.01928	17.0
127.02417	5.6
129.00304	0.9
129.03955	0.6
131.01924	7.5
137.00792	0.8
137.02995	1.2
139.02420	2.4
143.01907	47.7
144.02028	0.9
145.03482	8.4
147.01331	0.7
153.04039	1.3
155.00644	1.3
155.01900	19.9
156.01999	0.8
157.03510	5.0
161.02969	42.7
162.03102	1.4
167.01910	15.5
169.03517	4.3
171.05013	1.7
173.02979	16.6
175.04530	0.8
179.01913	7.3
181.03531	0.7
185.02968	32.8
186.03012	0.7
187.04533	2.7
191.02477	0.7
191.03972	4.4
197.02960	15.1
200.59723	0.6
203.02293	1.1
203.04039	14.1
208.04492	0.7
209.03076	0.7
215.03963	5.6
221.04985	1.5
227.04008	8.4
233.05019	0.9
239.04080	1.3
244.33762	0.7
245.05086	100.0
246.05119	3.5
248.36479	0.6
257.05090	6.2
263.06143	25.1
263.08875	1.5
264.06421	0.9
275.06137	15.5
276.06284	0.7
287.46811	0.7
293.07242	3.3
305.07187	9.5
317.07181	0.8
335.08234	2.5
346.59720	0.8
365.09357	4.9
425.11246	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33270	14.1
71.48817	23.4
77.29627	15.2
81.07049	20.8
83.08605	22.9
85.02903	24.4
86.09697	18.3
92.67599	14.6
94.97932	17.0
95.04928	20.2
107.04952	19.0
107.08612	21.1
109.06530	23.5
109.10115	17.3
119.08551	22.4
121.10181	23.7
151.11214	18.3
163.03845	38.3
191.14267	22.6
195.33545	18.6
195.99063	15.5
209.15364	100.0
260.47397	16.7
404.78574	17.5
424.20795	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	423.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01874	2.1
55.05506	10.5
57.07061	7.2
65.03922	5.3
67.05508	37.5
67.05849	1.2
69.03433	2.0
69.07067	19.8
71.04987	4.8
71.08615	4.3
71.49948	2.5
71.50356	2.1
79.05489	6.3
81.03387	3.0
81.07064	21.7
83.04960	2.8
83.08619	11.2
85.10183	2.7
89.06049	2.3
91.05476	7.0
93.07040	9.9
95.04965	15.4
95.08611	25.1
97.06516	4.0
97.10153	8.6
99.04453	7.1
104.79191	1.8
105.07035	13.4
107.04969	2.7
107.08585	11.7
109.06506	2.5
109.10153	14.0
110.60220	1.5
111.08094	2.4
111.11711	5.3
113.06003	5.2
117.07006	1.8
119.08585	8.9
121.06497	2.4
121.10150	9.5
122.24345	1.6
123.04434	29.5
123.08093	2.4
123.11707	7.5
125.05985	18.2
125.09623	1.6
125.13283	2.1
129.05492	2.1
129.07018	1.8
131.08568	6.3
133.10107	7.1
135.08092	3.5
135.11697	8.1
137.09630	2.6
137.13297	2.8
139.07545	11.4
141.05467	100.0
145.10132	6.9
147.11688	4.8
149.09651	2.4
149.13229	4.6
151.07607	1.9
151.11073	1.9
151.14819	2.1
157.10132	3.5
159.11705	4.5
161.13226	2.6
163.11208	1.7
163.14746	2.3
165.09119	3.4
167.10629	2.5
171.11760	1.6
173.13266	5.2
175.11160	2.2
175.14821	3.1
179.10600	1.9
187.14862	2.5
189.28757	1.7
199.14806	1.9
201.16449	4.0
215.17978	2.9
221.15353	2.1
246.60774	1.6
345.31433	3.9
369.31561	2.2
377.34457	2.2
387.32559	13.8
405.33621	39.3
423.28723	1.9
423.34979	28.4
423.46527	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02672	1.7
53.03938	2.9
53.60366	1.8
55.01877	2.1
55.05514	12.3
56.15974	1.7
57.07081	5.2
64.85261	1.9
65.03934	2.5
67.05511	22.7
69.03428	3.3
69.07072	17.7
71.04998	2.4
71.48270	2.8
75.99189	1.8
76.46313	1.9
79.05503	27.3
81.07061	43.5
83.04987	7.1
83.08621	6.4
85.02907	3.8
85.06548	2.6
91.05486	30.4
93.07050	40.3
95.04950	4.8
95.08614	57.9
97.06532	41.4
97.10139	2.6
99.08090	20.6
103.05462	4.8
105.07040	66.7
107.08601	57.4
109.06526	3.3
109.10160	28.6
110.14695	1.7
111.08086	4.3
115.05478	3.6
116.06294	2.6
117.07011	16.4
118.36266	1.7
119.08593	100.0
121.06502	4.6
121.10155	44.3
123.08083	6.4
123.11690	10.1
125.09637	5.0
127.68223	1.7
128.06264	3.5
129.07005	7.4
130.07742	2.0
131.04938	6.6
131.08582	64.2
133.06435	2.8
133.10144	49.9
135.08087	5.2
135.11694	17.8
137.09651	3.0
137.13278	2.8
141.07053	3.2
142.07806	5.5
143.08572	22.4
144.08101	2.9
144.09270	3.0
145.10136	56.1
147.08047	4.4
147.11699	35.5
147.70224	1.9
149.09615	4.5
149.13257	13.9
151.11163	4.5
153.09190	2.2
155.08578	4.4
156.09367	8.1
157.10133	24.3
158.10878	7.7
159.08101	2.2
159.11707	46.2
161.06023	2.2
161.09653	3.6
161.13275	20.6
163.11186	3.0
163.14885	10.5
168.09436	2.0
169.10101	13.1
170.10945	6.2
171.11713	20.5
172.12451	2.6
173.09839	2.2
173.13275	60.4
175.11221	4.1
175.14838	23.1
177.12819	3.2
177.16351	12.6
179.14282	1.9
181.10204	2.6
183.11729	14.5
185.13271	36.3
187.14832	70.1
189.12778	3.9
189.16403	22.4
191.14349	11.6
191.17911	2.1
194.09431	3.4
195.11736	7.2
196.12445	2.5
197.13313	9.3
199.14822	25.4
201.05556	2.0
201.12785	2.7
201.16391	50.2
203.14339	21.3
203.18007	7.7
205.15863	10.7
207.11743	2.3
207.17517	4.2
209.11389	2.1
209.13312	5.3
210.14014	2.2
211.07693	3.1
211.14790	15.9
213.16434	12.0
215.14278	5.3
215.17990	7.7
217.15924	7.5
219.17465	2.8
221.13446	2.5
221.15457	4.4
223.14868	4.3
225.16403	8.4
227.17995	7.2
229.15921	7.6
231.17429	4.9
237.16417	3.2
239.17957	4.7
241.04945	3.9
241.19460	2.6
243.17609	3.8
249.16280	2.7
251.17987	3.6
253.19513	3.1
255.17442	2.8
255.20932	2.2
257.19186	2.8
265.05106	3.7
265.19620	2.7
269.18936	3.4
283.20596	6.0
297.22296	3.1
307.24387	2.0
327.08624	11.4
333.25772	4.5
335.23746	2.0
351.26822	13.7
368.70947	1.9
377.32095	2.8
387.30515	4.8
393.31500	4.9
395.33011	2.6
405.31522	31.0
423.08820	2.5
423.14606	17.7
423.23712	3.2
423.26675	3.4
423.32614	73.0
424.14551	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	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01863	2.6
55.05518	23.8
57.03426	3.7
57.07075	3.4
59.05019	2.8
65.03951	4.6
67.05506	100.0
68.45344	1.9
69.03422	2.5
69.07067	16.4
71.04990	3.9
71.50130	2.4
74.72707	1.9
77.03918	2.7
79.05074	3.0
79.05497	36.9
80.05788	2.0
80.73662	2.0
81.03413	4.3
81.07057	79.1
81.07540	4.8
82.07408	2.1
83.04996	7.9
83.08630	12.0
85.06532	5.9
88.97346	1.9
89.99540	1.9
91.05483	40.8
93.07046	63.0
95.04954	8.5
95.08609	65.0
97.06542	10.7
97.10183	4.0
99.08094	22.6
105.07030	62.9
107.08600	67.1
109.06499	4.7
109.10160	76.9
111.08083	9.2
117.07047	18.5
119.08588	80.1
121.06536	4.0
121.10142	44.5
123.08053	3.7
123.11712	17.1
125.09638	3.4
128.06261	3.7
128.51996	2.3
129.07010	8.8
131.08574	44.8
133.10138	51.9
134.56212	2.1
135.08090	4.6
135.11696	16.0
137.09631	5.9
137.13271	2.9
139.11208	2.3
141.06995	3.6
142.07785	4.4
143.08580	22.3
144.09344	4.9
145.10127	51.6
147.11679	29.5
149.09586	2.3
149.13269	22.7
151.11160	6.2
155.08476	6.1
156.09308	3.7
157.10121	23.3
158.10855	6.2
159.11711	50.3
161.09717	2.7
161.13271	16.4
163.14844	12.2
165.09160	3.1
165.12738	2.4
168.09309	2.7
169.10133	10.3
170.10887	3.9
171.11687	20.4
173.11761	15.2
173.13271	48.5
175.14824	17.7
177.12726	5.1
177.16383	13.2
180.38660	2.2
181.10191	4.1
183.11696	13.5
185.13251	35.0
187.14818	41.7
189.12717	3.0
189.16385	21.6
191.14320	10.6
195.11813	2.9
195.13869	6.3
197.13261	9.5
199.14838	19.6
201.16389	30.7
203.14362	12.0
203.17982	6.7
205.15860	10.1
205.48370	2.1
209.13219	3.1
211.14839	12.7
213.16405	14.8
215.14220	3.6
215.17989	7.0
217.15894	7.7
221.15456	2.4
223.14777	4.1
225.16339	7.7
227.17975	4.8
229.15872	3.8
229.19450	3.7
231.17436	3.7
237.16429	2.6
239.17903	7.2
241.19496	4.8
243.17548	5.8
253.19415	6.2
255.21091	2.5
265.19418	4.2
267.20950	4.3
283.20547	5.4
291.98633	2.5
335.23618	3.3
351.26718	11.8
387.30307	4.7
392.29901	2.6
393.31427	3.1
405.31519	33.3
423.27213	37.1
423.32565	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05519	22.0
57.03429	3.1
57.07069	6.2
59.05001	5.3
59.54517	2.5
65.03941	5.4
65.45323	3.0
67.05510	86.4
69.03436	3.8
69.07071	20.2
69.86563	5.9
69.86976	8.5
71.04983	3.8
74.65657	2.3
79.05497	46.2
81.03429	4.4
81.07059	73.2
83.04974	10.1
83.08605	13.0
83.59077	2.3
91.05476	48.2
93.07043	78.7
95.04954	5.8
95.08607	57.2
97.06528	9.1
99.08096	29.5
103.05500	3.6
105.07035	71.9
107.08595	100.0
109.06522	7.1
109.10162	75.2
111.08086	7.3
115.05514	2.9
117.07037	18.8
119.08584	81.1
121.09245	2.9
121.10140	59.3
123.08074	7.9
123.11697	15.5
125.09637	10.0
128.06268	7.8
129.07008	11.0
130.07787	3.8
131.08575	59.8
133.10136	65.6
135.08113	4.6
135.11708	29.3
137.09656	8.6
137.13239	3.3
142.07794	6.5
143.08588	23.4
144.09326	3.5
145.10133	42.9
147.11703	29.2
149.09642	5.4
149.13239	15.9
151.11180	7.9
155.08586	8.0
155.10638	5.6
156.09354	5.5
157.10147	35.4
158.10974	3.0
159.11703	60.8
161.13246	19.7
163.11243	3.6
163.14851	10.6
169.10132	14.0
170.10872	5.9
171.11676	28.0
173.11775	9.3
173.13274	41.2
175.14879	13.6
177.16411	6.9
179.08551	3.0
181.10176	4.2
182.10951	3.5
183.11749	15.2
185.13272	36.2
187.14816	40.0
189.12769	4.1
189.16405	25.9
191.14362	9.5
195.11708	5.9
195.13748	3.3
197.13277	9.4
199.14830	25.0
201.12668	3.7
201.16409	23.1
203.14343	6.7
203.17847	5.3
205.15901	8.7
207.17435	4.2
209.13368	5.9
211.14764	14.1
213.16396	14.2
215.14362	2.7
215.17911	6.0
217.15819	5.5
221.13297	2.9
223.14754	5.1
225.16399	11.1
227.14285	3.3
227.17953	6.3
229.15924	10.9
229.19536	2.9
231.17424	11.1
237.16415	3.6
239.17989	7.7
241.19601	8.0
243.17503	5.7
251.18089	4.1
253.19595	7.0
257.18854	6.1
259.20639	5.5
265.19608	5.6
267.20999	4.3
269.19070	3.1
271.20502	4.4
283.20593	8.5
311.23584	3.1
333.25772	6.3
335.23611	5.1
351.26819	28.8
377.32306	2.8
387.30270	4.6
393.31876	4.1
395.33258	4.5
405.26596	4.8
405.31430	34.7
405.36383	3.4
423.18323	2.6
423.27332	25.2
423.32541	74.4
424.33057	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	423.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28384	1.4
53.03939	2.8
55.05513	17.1
57.03413	2.6
57.07063	4.5
59.04988	4.4
65.03926	4.6
67.05508	100.0
69.03439	1.7
69.07070	18.2
70.06581	3.7
71.04976	4.6
71.49464	2.3
79.05504	22.6
81.03387	2.3
81.07062	70.7
82.07390	1.7
83.04974	3.0
83.08629	13.3
85.04025	1.6
85.06546	4.7
88.07620	4.1
91.05476	27.2
93.06491	2.4
93.07047	40.2
95.04944	1.9
95.08611	46.1
97.06528	5.7
97.10141	2.9
101.83048	1.6
102.09157	2.9
105.07031	27.1
106.56564	1.3
107.04961	1.5
107.08595	40.6
109.06511	3.1
109.10162	68.0
110.10543	1.4
111.08086	4.2
117.07006	5.9
119.08589	46.5
121.06502	1.9
121.10149	30.0
123.08041	2.6
123.11697	7.5
125.09686	2.4
129.06999	3.5
131.08572	22.6
131.91820	1.3
133.06430	1.5
133.10135	36.4
135.08052	1.8
135.11690	13.1
137.09639	4.8
143.08542	6.2
145.10147	29.5
147.08115	1.4
147.11697	17.5
149.02370	15.4
149.03450	2.1
149.09561	2.0
149.13278	18.2
150.02650	7.1
153.09100	4.2
155.10660	5.2
156.09348	1.5
157.10118	5.8
158.10870	1.9
159.08118	1.7
159.11707	21.7
161.13263	16.8
161.63466	1.3
163.14821	7.7
167.14449	1.8
171.11699	4.7
172.12466	1.8
173.11742	16.5
173.13263	19.2
174.13606	1.6
175.14835	27.0
176.15231	2.4
177.12785	3.7
177.16367	9.0
183.11754	2.3
185.13255	5.6
187.14844	28.4
189.16399	44.5
190.16643	1.6
191.14366	1.5
191.17889	3.6
193.05006	15.2
194.05281	9.5
195.13864	8.5
199.14832	6.4
201.16403	22.9
203.14340	14.5
203.17989	13.4
205.15967	3.3
207.17441	2.7
213.16409	3.2
215.17993	8.2
216.55249	1.6
219.20930	1.7
227.17972	2.2
229.19463	3.6
235.16930	3.3
241.19420	2.2
247.16959	3.0
249.18401	1.7
255.21190	2.0
256.26337	4.7
257.26691	8.3
261.18472	2.0
269.22580	1.8
300.23196	1.5
315.23038	1.9
321.01605	1.5
377.32062	8.6
405.31427	3.7
423.27728	44.1
423.32495	52.4
424.33072	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	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01867	1.7
55.05516	11.1
55.89268	0.9
57.03429	3.5
57.07062	3.3
58.92933	0.9
61.69516	0.8
64.26896	1.0
65.03947	1.4
67.05508	25.6
69.03420	2.0
69.07072	11.8
71.04997	2.2
71.08640	1.7
71.18836	1.1
71.49105	0.9
71.49494	0.9
73.69711	0.9
79.05491	12.0
81.07062	27.4
83.04975	1.4
83.08624	5.8
85.06543	2.7
91.05485	8.3
92.78944	0.9
93.07048	19.3
94.31425	0.9
95.04959	2.9
95.08610	16.8
97.02892	1.7
97.06526	3.6
97.10160	1.4
99.08081	2.0
102.56223	1.1
105.07042	10.8
107.08600	17.9
109.06527	13.2
109.10152	14.4
111.08091	3.2
117.07007	3.5
119.08587	13.3
121.06527	1.9
121.10158	10.6
122.07256	1.1
123.08076	46.4
123.11710	3.4
125.09621	1.2
128.13281	1.0
129.07082	1.1
131.08583	5.9
133.10150	8.8
135.08067	9.8
135.11700	5.2
137.09653	3.2
143.08557	2.0
144.08112	3.5
145.10156	6.5
147.11668	4.6
149.09644	6.6
149.13266	5.3
151.11163	1.2
157.10153	2.9
159.11719	5.8
161.13271	3.3
163.11203	2.3
165.12831	1.0
169.10179	1.5
171.11728	2.1
173.11835	1.5
173.13286	4.0
175.14850	2.3
177.12744	6.1
179.14308	30.5
179.15851	2.0
183.11749	2.2
185.13304	1.3
187.14835	3.2
189.16405	1.9
195.13785	1.0
197.13292	1.2
199.14758	1.1
201.12666	2.0
201.16515	1.9
203.14363	1.2
205.15871	1.7
212.14030	0.9
225.16405	1.3
231.17366	0.9
233.18892	1.4
247.20610	2.2
253.19608	1.1
263.20200	2.0
273.18430	1.1
275.20139	6.5
289.35406	0.9
303.27005	6.7
313.25262	1.4
331.26328	40.6
332.26620	1.0
349.27695	1.4
367.24792	2.6
405.31055	2.0
423.31241	100.0
424.31470	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01873	2.6
55.05513	16.8
57.03428	4.4
57.07078	6.3
63.29234	1.3
65.03931	2.7
67.05508	59.1
68.05887	1.1
69.03419	3.0
69.07072	19.9
71.04984	4.1
71.08631	3.5
71.34079	1.9
71.76723	1.3
79.05495	21.3
81.03428	1.5
81.07062	50.2
83.04987	4.1
83.08620	8.8
85.06531	4.4
91.05478	18.6
93.07046	28.2
94.68004	1.3
95.04946	2.8
95.08606	28.9
95.09185	2.0
97.02881	4.4
97.06528	5.1
97.10138	2.6
99.04459	2.6
99.08090	3.0
105.04536	1.5
105.07034	15.5
107.08593	22.2
109.06520	20.3
109.10159	35.3
111.02030	1.2
111.08067	5.7
115.25665	1.2
117.07006	6.5
119.08577	17.3
121.10143	15.5
122.07343	1.8
123.08073	51.1
123.11713	5.6
124.37924	1.4
127.03889	2.3
129.07011	2.5
131.08582	7.4
133.10150	12.1
135.08052	11.5
135.11720	9.3
137.09639	5.0
143.08586	1.9
144.42999	1.3
145.10139	8.9
147.08015	1.7
147.11694	9.8
149.09616	4.5
149.13246	11.4
151.11172	2.6
155.10658	1.9
157.10110	2.6
159.11679	7.6
161.13287	3.9
163.11285	1.5
163.14815	3.9
165.12755	1.4
167.14365	2.0
171.11668	3.0
173.11726	7.2
173.13283	5.7
175.14853	4.0
177.12756	4.6
177.16391	2.5
179.14320	57.7
180.93919	1.5
185.13272	1.6
187.14853	3.8
189.16426	2.8
191.17999	2.4
193.15953	2.1
195.13823	2.8
199.14828	1.9
201.16408	3.8
203.18004	2.5
205.15874	2.3
207.17247	1.7
213.16399	1.3
215.17935	2.0
228.91237	1.4
233.19044	1.7
241.19830	1.7
267.21158	1.4
275.20007	3.7
289.25272	1.7
293.21127	2.0
303.26889	4.4
331.22348	2.8
331.26324	44.7
349.27451	11.9
367.24817	2.4
405.30215	3.2
405.35226	1.6
423.31442	100.0
423.36246	4.7
424.31424	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77838	2.0
53.03942	3.0
55.05500	7.9
56.06051	2.3
57.07071	7.1
59.05001	5.1
67.05513	14.3
69.03417	10.0
69.07067	8.8
71.04974	3.5
73.65626	2.1
79.05497	17.9
81.07060	22.8
83.08609	3.0
85.05987	2.1
85.06536	9.3
91.05492	18.6
92.82940	2.2
93.07050	26.0
95.04958	4.9
95.08620	16.1
97.06538	2.4
98.20633	4.1
103.05453	4.5
105.07027	40.5
107.08614	13.0
109.06515	7.5
109.10155	8.8
111.08069	14.6
117.07021	7.0
119.08595	24.5
121.06498	6.2
121.10143	11.2
123.08065	17.6
128.06245	4.9
129.07030	3.5
131.08617	11.6
133.10085	10.6
135.08069	21.8
135.11681	3.1
137.09631	27.7
141.06970	6.0
142.07805	13.6
143.08557	10.4
144.09319	4.0
145.10109	10.7
147.08069	23.7
147.11755	3.9
149.09657	4.5
151.07536	6.8
153.07039	2.9
155.08537	9.2
156.09319	5.0
157.10149	21.3
159.11697	13.0
161.09637	7.5
161.13248	5.7
163.11137	6.4
165.07802	4.6
165.09108	58.9
167.08556	4.4
168.09312	6.5
169.10161	12.6
170.10910	2.3
171.11752	4.9
173.09557	3.4
173.13336	5.0
175.11189	3.9
175.14786	4.1
179.14336	4.0
181.10114	6.0
181.12024	2.4
183.11717	14.3
185.13246	5.5
189.12758	4.7
191.14188	3.1
193.10083	2.9
195.11862	3.2
203.14363	14.6
207.11766	2.9
207.13750	3.8
211.13107	3.5
211.14871	5.1
213.12704	2.7
215.14346	4.3
215.34341	2.2
221.15366	100.0
222.15659	4.4
243.17450	2.6
251.16385	4.8
343.22864	10.5
344.23102	2.4
423.28564	22.8
423.36588	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41574	0.8
53.03935	2.1
55.05270	1.2
55.05513	15.7
57.03424	2.4
57.07073	1.7
59.04987	3.4
60.60811	0.7
65.03919	3.6
67.05506	100.0
69.03418	0.8
69.07065	9.6
71.04984	4.3
71.23586	1.2
71.24018	0.7
74.60844	0.8
79.05078	1.4
79.05497	20.9
81.03408	1.4
81.07059	44.9
82.07380	0.8
83.04963	2.0
83.08620	12.4
85.02918	1.1
85.06534	2.9
91.05484	17.2
93.07044	27.0
95.04964	3.8
95.08609	16.9
97.06540	4.4
97.10143	2.6
99.08086	1.9
105.07031	9.6
107.08592	21.5
108.93055	0.8
109.06496	1.9
109.10158	58.1
111.08099	5.2
117.07027	3.5
119.08578	10.7
119.11386	0.8
121.06516	1.2
121.10149	9.6
123.08090	0.8
123.11678	2.6
125.09674	2.1
129.06966	1.0
131.08595	6.4
133.10153	11.0
135.08043	2.2
135.11717	6.8
137.09621	2.7
143.08527	1.2
145.10100	3.3
147.11649	3.7
149.09741	1.1
149.12083	1.1
149.13264	13.3
155.10637	7.6
157.10126	1.4
159.11705	7.8
159.70761	0.9
161.13216	1.4
163.14835	1.2
171.11710	2.0
173.11746	14.6
173.13165	1.6
175.14806	2.6
177.12775	3.2
177.16406	1.1
185.13264	1.8
187.14833	2.5
195.13846	10.1
199.14856	1.0
201.16476	2.1
203.14308	7.7
205.15771	0.9
213.16586	1.0
215.18048	1.2
251.17943	1.0
281.17450	0.9
303.50229	0.9
405.31546	2.3
423.27310	41.7
423.32617	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	1.0
55.05510	12.7
57.03427	3.5
57.07072	1.7
59.04996	3.1
64.54785	0.8
65.03930	3.6
67.05509	100.0
69.07070	10.4
69.78094	1.4
69.78497	4.0
71.04998	3.9
77.03924	1.0
79.05499	19.9
81.07061	44.9
83.04974	2.8
83.08623	10.7
85.06541	3.7
91.05486	15.6
92.16051	0.7
93.07050	25.0
95.04971	2.9
95.08608	13.7
97.06520	3.4
98.21494	1.0
99.04466	1.0
99.08111	0.9
105.04503	0.9
105.07040	4.7
107.08606	14.1
109.06514	0.9
109.10164	57.8
111.08083	5.8
113.01559	1.0
117.07037	3.9
117.66057	0.9
119.08577	5.6
119.09334	0.8
121.06532	1.0
121.10159	7.8
123.11744	1.8
125.09629	1.2
131.08560	3.4
133.10121	5.4
135.08043	1.5
135.11711	4.4
137.09618	3.0
139.11140	1.0
147.11713	1.3
149.09663	1.1
149.13252	14.8
155.10677	7.8
157.09981	1.0
159.11690	5.6
173.11746	14.4
173.13171	1.2
175.14868	1.2
177.12759	2.9
187.14792	1.0
195.13828	7.5
213.14926	1.0
232.96901	0.9
302.39465	0.8
307.94583	0.8
423.27438	40.9
424.28418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65063	3.2
53.03940	12.8
55.01868	8.1
55.05307	3.4
55.05520	33.1
56.21323	3.2
57.03441	6.5
57.07075	5.3
61.75682	3.5
64.44586	3.8
65.03935	6.2
65.97980	3.5
67.05516	100.0
68.28111	3.2
69.03437	22.5
69.07079	27.7
70.18726	7.1
70.19120	6.1
71.04980	7.9
73.02908	4.5
73.13218	3.9
79.05502	58.6
81.03416	30.2
81.06596	5.9
81.07063	96.5
83.04974	13.3
83.08630	19.4
85.02900	12.6
85.06547	4.7
86.15802	3.3
91.05497	59.4
93.06488	6.1
93.07056	90.1
95.04967	13.2
95.08618	74.9
97.02908	8.5
97.06531	11.8
97.10159	9.3
98.19118	3.7
99.04471	4.4
99.08073	10.9
105.07048	66.1
107.04945	5.6
107.08606	82.5
109.06538	8.5
109.10178	61.0
111.04494	5.1
111.08087	7.2
115.05432	4.4
117.07020	20.5
119.08589	65.4
121.06550	5.0
121.10159	51.3
123.08054	5.7
123.11710	15.3
125.09671	4.8
127.03924	6.7
129.07037	17.6
131.08577	46.6
133.10146	49.4
135.08090	6.9
135.11700	31.8
137.09624	8.1
139.11154	4.7
142.07791	9.2
143.08611	21.2
145.10136	36.7
147.08032	5.0
147.11685	36.6
149.09622	5.8
149.13249	24.4
155.08554	6.8
156.09375	4.2
157.10185	21.4
159.08028	5.4
159.11719	36.2
161.13284	23.9
163.14777	6.2
167.08586	4.8
169.10130	9.6
171.11697	14.1
173.11853	6.0
173.13271	27.1
175.11160	4.3
175.14848	9.1
177.12819	7.0
177.16322	7.9
181.10208	3.6
183.11714	9.4
185.13245	14.5
187.14815	16.8
189.16415	8.8
191.14310	5.4
195.11710	5.6
197.13316	11.9
199.14824	13.5
201.16379	9.9
203.14420	4.0
205.15828	7.7
211.14882	6.1
213.12854	3.7
213.16403	3.6
215.17924	3.5
227.17984	4.3
230.20779	4.1
231.17503	4.7
241.19598	6.2
243.21011	5.6
259.20599	14.8
261.22241	19.2
273.22293	4.6
277.21719	6.1
283.20700	4.5
289.21710	5.7
297.22403	4.0
299.35291	3.6
301.21289	6.0
303.23114	14.4
315.23172	3.6
351.26901	6.5
366.01874	3.5
369.24557	17.9
387.25513	19.9
405.26248	18.6
405.31549	12.1
423.27374	27.0
423.32574	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01861	4.4
55.05280	1.3
55.05514	20.2
57.03437	6.5
57.07070	3.1
59.04993	3.3
65.03934	2.8
67.05508	100.0
69.03439	7.8
69.07073	19.6
71.01361	2.3
71.04998	6.9
71.23023	3.0
73.02921	2.3
77.03906	1.4
79.05498	48.5
81.03416	7.4
81.07058	77.1
83.04990	3.6
83.08616	12.7
85.02895	3.5
85.06531	3.0
91.05482	34.9
93.07046	58.0
93.07637	2.9
95.04961	5.0
95.08611	44.0
97.02895	29.7
97.03517	1.5
97.06511	7.1
97.10172	2.9
98.03208	1.2
99.04482	8.2
105.04520	1.5
105.07032	29.3
107.08596	41.7
107.37778	1.3
109.02888	5.7
109.06487	3.7
109.10162	55.8
111.08060	5.8
113.39585	1.3
117.07023	12.2
119.08589	32.4
121.06511	2.6
121.10140	31.8
123.08104	2.2
123.11699	6.2
125.09600	2.5
127.03894	9.9
129.07002	3.2
131.08600	16.9
133.10127	26.3
133.63594	1.3
135.08047	2.2
135.11705	17.8
137.09628	2.3
143.08549	5.6
145.10121	16.9
147.11691	15.1
149.09680	3.0
149.11018	1.1
149.13261	19.3
149.47321	1.4
151.11205	2.1
155.08557	1.8
155.10661	1.5
157.10110	5.9
159.11700	17.9
161.09590	1.7
161.13242	11.5
163.14801	5.9
169.10158	1.9
171.11711	3.9
173.09805	1.5
173.11723	10.4
173.13272	13.2
175.11176	1.5
175.14819	17.3
177.12816	2.9
177.16388	3.6
183.11604	2.1
185.13225	2.8
187.14853	14.5
188.14963	1.7
189.16373	14.7
190.22070	1.4
195.11797	1.9
195.13826	5.4
197.13319	1.8
199.14867	3.5
201.16382	8.7
203.17967	9.5
211.14903	2.4
213.16492	1.8
215.17963	3.7
217.19594	1.8
241.19435	2.2
243.21049	3.7
258.79611	1.4
259.20428	2.5
261.22189	15.1
310.99384	1.4
311.23511	1.6
327.30585	1.5
341.94739	1.5
357.24084	3.3
368.14920	1.7
377.31842	1.8
405.31287	2.7
423.27325	31.2
423.32538	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.1
57.07062	1.5
61.01159	7.6
71.38483	2.9
72.04527	12.3
73.02921	1.5
74.81242	1.3
78.03794	19.7
83.04968	2.9
85.02897	10.3
86.02799	1.4
86.06097	1.4
88.02245	6.7
88.61897	1.3
91.05479	2.6
99.04454	7.8
99.05576	4.6
102.03771	26.9
103.02167	2.5
103.03944	18.5
104.01680	1.7
109.02898	4.9
112.07627	1.6
114.03748	4.4
114.05509	2.1
115.05103	1.5
120.04807	6.5
126.05518	23.9
127.03942	6.1
131.06390	12.8
132.04791	18.2
133.44562	1.3
141.06560	2.4
142.08627	5.3
145.26306	1.4
149.07443	62.5
152.07079	3.4
154.08574	2.9
159.05870	2.5
175.05365	4.9
176.02859	1.3
180.06575	14.0
184.09743	2.8
188.66760	1.3
193.16174	1.4
198.07637	4.5
216.08707	2.6
231.11597	5.4
239.16794	1.3
257.09351	1.7
260.11426	1.9
261.12762	4.3
261.56247	1.4
275.10638	4.9
293.11670	100.0
294.12122	2.0
375.22620	1.6
405.12027	3.1
405.16934	34.1
423.13614	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	421.3678
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
53.61052	1.9
55.05516	47.2
57.03434	5.7
57.07074	35.3
60.06374	2.0
62.10108	2.0
67.05509	21.7
69.06734	3.3
69.07073	45.4
69.46227	13.5
71.08640	27.1
76.18760	1.9
79.05489	9.6
81.06602	2.1
81.07064	36.6
83.04987	60.1
83.08625	30.3
85.10180	15.5
87.11649	2.3
89.06023	8.4
91.05483	8.6
93.07056	15.9
95.04928	3.5
95.08612	39.2
97.06535	3.4
97.10178	19.7
98.38347	2.0
99.04485	2.4
99.11742	2.6
105.07041	12.0
107.08601	17.0
109.06525	13.5
109.10184	18.7
111.08103	7.1
111.11731	11.2
117.07038	1.9
119.08591	15.6
121.06503	2.8
121.10158	13.0
121.54562	2.0
123.08074	17.3
123.11720	12.6
125.06036	2.8
125.13295	2.3
127.07612	2.9
129.07094	2.0
131.08551	2.6
133.08595	5.8
133.10101	10.9
135.08066	13.6
135.11688	7.0
137.05980	34.9
137.09660	5.8
137.13248	3.4
139.07576	15.1
143.08574	2.4
145.10146	3.9
146.07364	2.4
147.08069	1.9
147.11714	9.3
149.09636	7.5
149.13246	5.3
151.07576	7.7
151.11227	5.8
151.14821	2.7
153.09119	3.6
155.07011	7.3
159.11678	4.2
160.08942	2.2
161.09636	38.2
161.13272	12.1
163.14798	2.8
165.09155	3.6
165.12762	5.7
171.11774	2.5
173.13272	3.5
175.11191	15.3
175.14839	2.1
177.12791	6.0
179.10709	6.9
179.14314	4.2
185.13231	2.3
187.14815	3.1
189.12747	29.4
191.14383	2.1
193.12311	6.2
195.13846	2.5
203.14360	3.1
207.13887	6.7
217.82832	1.9
231.21225	2.5
239.14691	2.1
245.19128	3.0
249.18536	2.5
273.27045	2.1
302.44653	2.0
357.35223	4.9
367.33261	2.8
370.55478	2.4
375.36246	52.4
385.34720	24.1
403.35727	100.0
404.36136	5.0
421.31042	4.7
421.36795	99.6
422.36984	2.8
430.73215	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	421.368
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03944	2.0
55.05523	23.5
55.52290	1.3
57.03423	3.6
57.06843	1.6
57.07087	23.7
67.05517	9.6
69.07078	33.6
69.14517	2.6
69.14914	12.3
71.08640	16.4
79.05495	6.6
81.06661	1.7
81.07069	19.8
83.04993	36.7
83.08629	18.0
85.10207	10.1
89.06045	5.9
91.05471	5.0
93.07060	10.6
95.04984	2.7
95.08620	22.0
97.06509	1.5
97.10178	12.0
99.04506	1.9
105.07055	9.4
107.08610	9.3
109.06534	7.4
109.10181	11.8
111.08099	3.8
111.11714	5.8
119.08577	9.7
121.06573	1.3
121.10155	6.9
123.08089	7.9
123.11712	5.7
125.05990	1.7
125.13295	2.7
131.08615	2.4
133.08640	2.7
133.10117	5.9
135.08037	6.1
135.11717	4.7
137.05991	21.3
137.09627	4.4
137.13216	2.8
137.98869	1.2
139.07570	8.8
145.10153	2.3
146.07309	1.4
147.11703	5.4
149.09657	3.6
149.13283	2.3
151.07579	6.9
151.11218	4.8
151.14812	1.5
153.09081	1.9
155.07025	8.7
157.10159	2.2
160.08939	1.3
161.09631	15.2
161.13254	6.3
163.14803	2.3
165.09167	5.0
165.12785	5.1
167.10646	1.4
171.11787	1.3
173.13255	1.5
175.11276	7.6
175.14839	3.7
177.12816	2.8
179.10669	4.1
179.14296	1.9
181.12390	1.4
189.12772	10.6
193.12245	4.5
195.13997	1.3
197.66425	1.2
203.14307	1.5
207.13885	4.5
221.15361	2.2
263.20132	1.6
319.26685	2.1
347.29633	1.6
357.35211	1.6
367.33923	2.1
375.36246	23.0
385.34732	13.3
403.35770	48.5
404.36060	1.4
421.36838	100.0
422.36984	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	421.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54733	1.2
53.03952	3.2
55.01866	1.6
55.05516	7.8
57.03431	3.0
57.07077	2.6
57.44212	1.1
59.20618	1.2
65.03932	2.1
66.52326	1.2
67.05512	23.3
69.03418	3.8
69.07070	9.2
70.06590	3.3
71.05016	1.6
71.48828	1.2
79.03468	1.1
79.05145	1.2
79.05499	13.5
81.03397	3.9
81.07061	24.4
83.04977	5.5
83.08604	5.7
85.02941	1.7
85.06548	1.8
88.07615	3.5
90.14442	1.1
91.05486	19.2
93.07059	19.5
95.04961	7.1
95.08617	24.4
97.06529	3.2
97.10162	3.4
99.08087	1.6
102.09179	3.8
105.07034	26.4
107.04938	2.5
107.07899	1.6
107.08601	18.6
109.06497	3.6
109.10168	18.2
111.08073	2.8
111.14649	1.4
113.06020	4.2
115.05426	1.5
116.06179	1.6
117.07020	6.5
117.15597	1.1
118.07890	1.5
119.08593	27.9
121.00846	1.2
121.06483	2.2
121.07295	1.4
121.10153	14.7
123.08077	3.1
123.11699	7.4
125.09621	5.6
128.06166	2.0
129.06992	4.7
130.07806	1.4
131.08572	22.0
133.06541	2.3
133.10143	23.4
135.08055	4.7
135.11687	5.3
137.09610	2.9
141.07036	1.7
142.07768	3.6
143.08585	9.5
144.09349	3.0
145.06488	2.0
145.10143	22.6
147.11678	8.0
149.02365	17.2
149.03488	1.7
149.09576	2.7
149.13231	4.0
151.11189	1.9
155.08557	3.8
156.09329	2.1
157.10139	13.3
158.10898	8.1
159.08063	19.0
159.11707	53.5
161.09641	2.1
161.13239	7.4
163.11249	2.4
163.14874	1.7
167.08441	1.7
169.10120	6.7
171.11719	7.2
172.08830	1.7
173.09628	3.9
173.11891	2.1
173.13271	38.1
175.11195	3.4
175.14899	3.2
177.12643	1.7
177.16429	1.9
181.10115	1.7
182.10966	1.4
183.10283	1.4
183.11697	8.0
185.09650	1.9
185.13211	7.1
187.11209	2.6
187.14818	15.5
189.12775	4.7
189.16389	7.9
191.14296	2.5
193.04985	17.7
193.12279	2.9
195.11678	2.9
197.13257	5.4
199.11211	8.4
199.14845	4.2
201.12759	34.8
201.16438	3.3
203.14348	2.9
203.18018	1.9
205.15805	2.4
207.17398	3.3
209.13222	2.9
211.14804	3.0
213.12711	3.0
213.16278	3.0
215.14360	19.3
215.17931	4.1
217.15872	2.0
219.13811	1.5
223.14951	1.7
225.16399	2.5
227.14326	4.5
229.15904	2.8
237.16364	2.0
239.14389	1.4
239.17863	1.5
241.16000	2.8
243.17302	3.1
255.17458	1.8
256.26389	9.9
257.19077	1.7
265.19586	2.0
269.19226	1.8
271.20593	3.8
281.18988	3.5
283.20618	3.4
291.20889	1.5
295.20557	2.5
309.22296	2.4
311.20041	1.5
319.19656	1.5
329.21152	6.7
385.23544	1.3
391.29855	7.1
403.24734	5.1
403.29990	13.3
421.25842	9.6
421.31009	100.0
422.28894	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03332	1.9
53.03935	6.0
55.01865	7.9
55.05510	27.9
57.03430	9.8
57.07082	3.7
59.04985	3.5
65.03938	6.5
67.05506	100.0
68.75945	2.4
69.03429	6.4
69.07079	16.2
69.48569	16.9
71.04987	4.0
79.05074	3.3
79.05499	51.6
81.03419	26.2
81.07057	50.7
83.04983	10.8
83.08639	15.4
83.31392	1.9
85.06582	2.5
88.07622	3.9
91.05479	64.2
93.07043	42.8
95.04971	48.4
95.08612	31.1
97.02895	2.4
97.06525	5.8
97.10168	12.4
100.64713	2.3
103.71355	2.2
105.04459	2.0
105.07037	37.0
107.04960	22.5
107.08591	24.7
109.06505	8.2
109.10157	61.3
111.08090	5.5
115.05514	2.7
117.07018	15.3
119.04926	3.6
119.08575	38.5
121.06498	16.3
121.10136	14.7
123.08045	5.0
125.09615	9.5
128.06200	5.0
129.06999	16.4
131.08559	26.5
133.06491	7.1
133.10101	22.3
135.08051	8.1
135.11671	6.0
137.09608	8.4
139.11194	2.7
141.07027	2.9
142.07765	2.7
143.08565	14.6
145.06482	2.9
145.10126	15.4
147.08032	8.3
147.11682	12.7
149.02368	8.3
149.09656	4.1
149.13277	3.0
155.08585	4.3
155.10744	2.9
157.06468	3.0
157.10114	14.6
159.08112	4.1
159.11707	10.1
161.09602	4.4
163.11192	10.1
163.14830	3.7
169.10159	3.5
171.11719	6.3
172.03755	2.3
173.11752	12.8
173.13271	7.3
175.11160	12.2
175.14809	6.3
177.12730	4.9
181.10150	3.4
183.11598	3.9
185.13295	6.9
187.11137	3.0
187.14810	6.4
189.09140	6.5
189.11113	4.5
189.12724	2.9
193.04980	8.9
193.12251	18.3
197.13280	4.5
199.11212	4.3
199.14867	5.9
201.16377	3.5
203.10703	4.5
203.14389	2.7
205.12236	5.4
211.13197	3.2
213.12798	2.2
223.13213	3.5
231.13693	3.3
240.07362	2.7
249.14812	6.5
256.26254	3.1
301.21640	6.4
311.19995	13.5
319.22769	2.5
329.21118	63.2
329.24756	2.1
330.21286	2.8
347.21954	12.0
364.51468	2.7
385.23535	3.7
403.24823	30.7
403.29755	4.4
406.37912	2.6
420.44208	2.5
421.25806	67.0
421.31110	15.2
422.29486	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	421.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	2.3
63.02387	1.9
68.98299	1.1
69.48510	9.7
76.22855	1.5
79.05481	2.3
85.02888	3.0
86.99316	1.9
89.03926	15.0
91.05480	2.3
95.04945	1.9
97.02911	2.7
98.97620	2.7
101.00887	11.3
107.04961	6.0
109.01409	2.3
113.00871	3.6
115.02446	5.6
117.03373	12.2
117.04058	2.3
119.01923	13.5
119.04974	1.5
121.02859	2.1
122.74217	1.3
124.99137	3.4
127.01571	2.3
127.02438	15.3
127.03975	1.4
129.00334	1.5
129.03983	4.7
131.01941	4.4
133.03481	6.6
135.04401	21.9
136.04771	2.9
141.03995	3.0
143.00194	4.9
143.01915	6.0
144.99832	1.9
145.03641	27.8
146.03326	1.7
147.01410	2.7
147.04301	8.7
151.02428	2.2
153.00369	2.2
153.03987	4.7
155.01923	4.7
155.05551	1.2
157.03474	4.4
159.01393	3.3
159.05064	4.9
161.01093	2.1
161.02991	4.7
163.03903	100.0
164.04251	13.0
168.99841	1.5
169.03473	57.9
170.03679	1.6
170.99991	2.6
171.01428	10.6
171.05011	12.9
172.99377	1.8
173.03023	5.7
175.00879	1.8
175.04510	2.3
179.01895	3.7
183.05081	3.9
185.01315	2.7
185.03015	4.7
185.06618	1.4
187.00890	2.8
187.04524	37.8
189.00900	1.8
189.02525	6.1
189.06136	2.4
195.01468	1.7
197.02972	24.2
198.03133	1.4
199.04529	5.6
201.02530	1.7
201.06102	3.6
203.04042	3.0
205.05586	2.2
207.01447	2.7
209.02980	3.0
211.04555	6.1
213.00618	1.7
213.02477	5.9
215.00572	1.9
215.04062	18.7
217.01959	4.3
217.05598	1.7
221.03014	5.6
223.00916	2.4
223.04550	5.0
225.02518	4.2
227.04047	5.7
229.05685	1.7
231.03511	2.2
233.01433	2.1
233.05148	4.1
237.02644	2.4
239.03990	7.0
241.02052	3.0
241.05583	1.6
243.03543	2.6
245.05171	3.1
247.06796	1.9
249.02843	3.7
251.02626	1.7
251.06177	5.9
253.05550	1.6
255.03531	4.3
257.01379	1.6
257.05145	2.7
265.07837	1.9
266.97910	1.8
267.03772	7.9
269.04739	1.8
269.07294	1.8
275.03079	3.5
275.06143	80.1
276.06158	1.7
283.03018	5.2
285.04642	4.3
287.05911	1.7
291.03851	1.8
293.07129	2.5
293.97885	1.6
294.93088	2.1
299.06296	1.5
301.04117	17.3
303.05649	3.5
305.07251	3.7
306.99103	2.0
307.99329	2.3
309.04852	3.8
315.05618	6.2
324.05249	1.4
327.05676	2.0
329.03311	6.1
331.05099	10.8
333.06689	5.4
345.02496	1.9
345.06644	14.1
351.18701	1.4
361.02307	1.9
361.06250	12.8
363.02396	3.1
363.07523	3.8
371.00510	2.1
372.00790	3.6
373.01401	2.1
373.06088	18.5
377.03854	2.7
385.06177	3.9
389.05667	17.6
391.07278	5.0
395.05008	2.2
407.06790	9.5
408.00949	1.9
421.07883	6.7
425.02271	1.9
426.02420	3.3
427.01880	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86073	1.5
53.03943	2.1
55.05512	2.1
57.07062	2.5
65.06693	1.5
67.05505	5.6
69.03438	3.7
69.07062	5.4
69.46599	12.5
79.05488	9.7
81.03418	3.7
81.07059	100.0
82.07400	2.1
85.02910	7.9
87.00824	4.0
91.05494	2.5
95.04955	2.0
95.08608	17.9
97.02903	5.4
99.04442	2.6
105.01884	4.9
107.08629	1.9
109.02885	3.0
109.10171	2.6
110.43712	1.4
127.03924	7.2
137.13248	19.5
145.04961	6.4
167.07175	2.1
177.93021	1.6
231.05083	2.4
333.33777	1.8
432.13901	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00118	0.3
55.01866	0.9
57.07061	0.8
59.44969	0.2
68.49168	0.3
71.08615	0.4
71.23360	0.3
71.23717	0.4
99.00816	0.8
99.04458	4.2
111.04441	3.3
111.27831	0.3
117.12930	0.3
125.05995	11.0
141.05466	4.8
149.02354	0.3
153.05475	100.0
154.05804	1.2
156.08591	0.2
165.88164	0.3
167.07028	0.5
181.08571	0.4
203.29422	0.3
237.44734	0.3
265.64352	0.4
419.35205	30.9
420.35657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
57.03442	16.9
59.05011	1.5
61.02931	11.5
65.03931	1.7
69.03433	23.0
71.00703	2.9
71.01342	4.2
73.02924	63.1
74.28973	1.2
75.18309	1.3
81.03449	2.7
84.46586	1.1
85.02909	52.4
87.04485	2.7
87.38107	1.6
91.03956	3.1
91.05488	100.0
97.02901	58.5
97.03538	2.4
99.04500	1.9
103.03979	1.8
105.07027	4.5
109.02859	4.4
110.77424	1.4
115.03933	24.2
115.05529	1.3
127.03927	19.5
129.06999	1.4
133.04976	29.1
133.06505	5.7
144.06506	1.8
145.03922	2.2
145.04968	24.2
145.06454	3.5
150.07610	3.0
157.06508	3.1
161.04497	2.0
163.06012	11.0
171.08047	1.6
175.07507	2.0
190.52650	1.2
192.61208	1.5
193.04922	1.7
204.22878	1.4
205.08662	2.9
217.06985	2.1
217.08727	2.4
223.05981	4.0
234.38321	1.3
241.07120	4.5
253.10828	1.4
259.08154	7.1
266.56378	1.5
295.10376	1.9
336.57272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
55.05517	2.3
57.07080	0.6
65.03937	1.1
65.30090	0.4
67.05494	1.7
69.07056	0.6
70.55129	1.2
70.55494	0.5
75.04456	0.7
78.04711	0.7
79.05485	3.3
81.03413	1.0
81.07054	2.2
83.08601	1.6
85.06507	0.4
91.05474	4.8
93.07039	2.0
95.04952	1.7
95.08570	2.4
105.03384	0.5
105.07040	3.2
106.04167	1.1
107.04967	4.1
107.08584	1.0
108.05731	1.6
109.06524	2.4
109.10102	0.5
117.07005	0.6
119.04951	0.9
119.08559	1.9
120.05672	0.5
121.06496	3.4
121.10141	0.8
122.07312	0.8
123.04437	2.3
123.08062	1.7
123.11713	0.4
124.05154	0.7
124.99980	0.8
125.05983	0.7
129.06963	1.1
131.04947	0.5
131.08560	1.5
133.10114	0.8
135.04401	1.1
135.08052	1.7
136.05202	5.4
137.05968	4.6
138.06815	3.1
139.03909	0.7
139.07550	2.0
143.08560	0.7
145.06503	0.6
145.10110	2.4
147.08043	0.7
148.05197	12.3
149.05968	1.8
149.09653	0.8
151.03902	2.7
151.07541	11.2
152.04718	0.5
153.01805	1.0
153.05473	1.9
153.09056	0.5
154.06264	4.2
155.08537	0.4
157.10121	0.8
159.08136	0.4
159.11729	0.9
161.05904	0.8
161.09612	1.1
163.01576	0.8
163.07527	2.6
164.08311	4.4
165.05481	2.7
165.09114	3.3
166.06265	29.8
167.07042	16.4
168.07794	3.1
169.08536	1.4
169.09900	0.7
171.11667	0.8
173.09607	1.5
173.13271	0.6
174.51747	0.4
177.09140	1.1
177.12726	1.2
178.09908	1.8
179.07024	1.5
179.10626	0.6
180.07837	2.3
181.08597	100.0
182.09309	3.4
183.10194	0.4
187.11215	1.2
189.09100	0.9
189.12704	1.4
190.10060	0.7
191.10587	0.4
193.12250	0.5
194.09430	2.3
195.10173	4.9
205.12236	7.1
209.11714	2.9
219.13748	4.0
220.14590	9.6
221.11842	2.8
221.15332	1.5
226.09865	0.4
235.13278	1.4
236.14035	1.4
237.14903	1.4
249.14893	0.7
251.16425	25.1
271.09872	0.7
275.20328	0.6
285.11240	1.0
285.89828	0.5
286.12073	1.5
317.13864	1.2
323.16412	0.6
324.17300	3.6
327.19583	3.0
355.19031	3.5
369.23709	0.5
372.19669	0.4
387.21664	2.2
404.21933	1.1
419.17181	0.8
419.24136	8.5
419.33441	0.7
419.39377	1.1
427.65805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01873	3.4
55.05507	3.2
58.06590	2.8
60.92649	2.9
64.32085	2.0
65.03930	4.0
67.05500	7.7
69.07067	5.9
69.41843	18.2
71.70991	2.1
78.04714	2.4
79.05504	13.6
81.03421	3.2
81.07050	5.7
91.05469	11.1
93.07034	5.6
95.04980	11.2
95.08620	5.3
98.20804	4.6
103.05431	4.8
105.07039	9.4
107.04970	28.1
107.08590	5.5
109.06536	5.1
115.05450	2.7
117.07034	4.6
119.08617	3.3
121.06502	8.1
122.03727	2.8
123.04445	13.7
123.08044	3.1
124.05192	5.3
129.06979	2.2
130.07780	4.8
131.08521	4.5
133.06482	2.2
135.04440	2.2
135.08055	10.2
137.05989	5.2
138.06740	9.0
140.04608	3.6
143.08638	3.0
145.10132	13.3
148.05199	8.5
149.05945	5.1
151.03838	3.1
151.07600	5.6
152.04691	3.8
153.05476	3.8
154.06274	12.2
155.07103	3.4
155.08527	4.7
158.07294	8.7
163.03941	4.1
163.07593	11.2
165.05467	5.3
166.06332	12.9
166.07512	2.7
167.07054	100.0
168.07652	4.3
169.08655	17.4
173.09624	20.5
178.09892	2.3
179.06973	3.7
180.07806	3.2
181.05003	26.5
181.08603	88.7
183.06555	8.3
191.10583	3.7
194.09395	4.7
195.06514	14.9
195.10181	27.2
197.08113	7.4
201.09091	39.0
207.10236	2.8
209.11757	17.4
216.11510	26.2
217.12204	3.0
219.10179	21.8
223.13141	3.8
229.06172	2.4
232.10944	6.5
233.11755	15.0
236.44447	2.6
237.14822	3.9
247.13330	30.6
251.12827	38.0
265.11526	4.2
265.14349	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01881	2.4
55.05499	3.1
56.66803	1.8
67.05514	2.7
69.07059	6.8
77.84236	1.7
79.05502	11.5
81.03419	2.8
81.07053	5.3
82.04202	2.3
83.05007	2.6
85.90531	1.7
91.05488	9.5
93.07047	4.0
95.04979	10.2
95.08556	1.8
98.21539	4.5
100.46581	1.9
103.05436	3.5
105.07023	5.3
105.25397	1.8
106.04187	2.5
107.04964	26.7
107.08624	2.3
117.07038	3.9
119.08585	2.2
121.06532	4.5
123.04427	13.1
124.05244	4.6
125.06004	3.8
129.06960	1.9
130.07838	2.7
131.08669	3.7
135.08066	7.8
136.05228	2.3
137.05963	5.4
138.06743	8.2
138.74539	1.8
140.04684	5.4
143.08600	4.5
145.10158	8.8
147.04417	3.6
148.05190	7.5
149.06042	2.7
151.03912	2.3
151.07542	2.4
152.04660	4.0
153.05499	2.8
154.06232	9.6
154.70105	1.8
155.07033	5.3
155.08707	2.4
158.07225	9.9
159.07999	1.9
159.11676	2.4
163.07545	8.1
163.11171	2.8
165.05469	3.4
166.06314	12.6
167.07048	100.0
168.07698	2.5
169.08649	12.7
173.09642	19.2
177.09113	3.8
178.09938	7.2
180.07826	6.0
181.05014	31.7
181.08604	94.9
182.08876	2.4
183.06511	5.5
187.07497	2.0
187.28903	2.0
191.10721	3.6
193.08536	3.2
193.39447	1.7
193.41486	2.3
194.09427	5.9
195.06505	14.0
195.10179	32.7
197.08118	5.0
201.09117	37.6
204.11520	2.2
209.11693	15.3
216.11475	26.3
217.08627	4.6
217.11879	2.3
219.10178	23.4
223.13441	2.7
225.11327	2.8
228.94807	2.2
232.10901	5.1
233.11691	14.1
235.13347	2.2
237.14781	2.2
247.13304	29.2
251.12813	32.2
265.14355	34.0
266.14682	2.5
278.49097	2.0
419.29660	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1705
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
50.82469	2.0
53.03946	5.4
55.01877	52.2
65.03938	11.7
67.05501	7.2
69.03383	2.5
69.61619	13.8
78.04722	3.6
79.05499	9.8
81.07058	4.9
82.04186	2.6
82.53918	2.3
83.04993	2.8
85.02898	8.3
91.05486	10.5
93.03419	3.3
93.07055	4.8
95.04976	8.8
97.06528	7.9
98.20773	3.9
103.05465	21.6
105.07034	13.1
107.04967	11.4
108.02168	2.3
108.08118	2.8
109.02914	2.9
109.10118	2.3
110.03680	5.6
111.04428	2.9
115.05470	7.7
116.06248	2.1
117.07052	3.7
118.04176	3.6
119.08563	2.6
121.06499	8.0
121.44486	2.0
122.03761	1.9
123.04438	12.1
125.05979	4.5
129.06947	4.9
131.04935	13.1
131.08600	3.8
133.06491	12.7
133.10133	2.3
135.04396	3.1
137.05984	4.2
138.03171	4.1
141.07011	3.1
142.02562	2.7
143.05980	2.2
144.05708	4.4
144.08130	2.5
145.06543	4.1
148.05154	5.6
149.06017	14.5
151.03970	2.7
153.05484	3.2
159.08075	6.8
159.11771	2.0
161.05984	13.3
163.03908	3.4
163.07588	10.3
167.07054	84.4
168.07423	5.3
169.07588	5.6
171.06522	3.6
173.06030	6.5
177.05481	48.0
181.04974	100.0
181.08536	3.4
182.05312	3.5
183.06561	6.0
187.07538	6.6
191.07045	59.2
192.07733	2.4
193.08621	11.0
205.08646	8.6
209.08095	76.8
217.08595	4.2
218.07483	2.4
219.08171	2.6
219.10213	7.9
221.06010	2.7
231.08072	2.3
231.10243	2.4
235.07564	2.7
235.09718	3.1
247.07504	3.4
247.09642	10.1
249.11197	15.1
263.07132	3.4
265.04892	2.3
265.08298	2.5
265.10812	4.4
267.07629	2.2
283.35468	2.4
293.07849	2.7
295.09518	2.2
307.09564	3.1
309.08575	4.7
327.09818	6.5
339.12482	2.4
341.11127	2.3
359.12173	4.0
369.13400	3.6
371.14963	3.0
383.15048	2.2
387.11731	4.2
389.15741	4.0
394.99191	2.4
401.16104	9.9
419.11542	5.2
419.17130	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	419.1707
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03932	7.1
55.01877	39.3
65.03936	12.5
67.05504	3.5
69.03409	2.2
69.95547	11.9
70.06590	2.1
70.77920	2.2
79.05490	8.9
81.03403	3.2
85.02882	8.2
91.05503	11.6
93.07037	3.6
95.04938	7.3
95.08573	3.8
97.06520	7.2
103.05475	20.8
105.03386	10.8
105.07057	12.3
107.04962	20.3
108.02112	2.7
108.49313	2.5
110.03685	4.5
115.05432	7.1
117.07005	4.7
121.06520	7.1
123.04422	14.4
124.05212	3.5
125.06052	3.2
129.06943	4.2
131.04927	15.4
131.08534	7.8
133.06462	10.1
134.03595	3.7
139.03909	3.0
140.04652	4.0
141.06987	5.0
142.02634	3.8
144.05699	4.8
145.06464	5.0
148.05167	8.4
149.05984	14.9
151.03914	3.7
153.01837	22.3
153.05412	4.3
159.08064	10.7
160.05212	3.2
161.05980	10.7
163.07564	11.6
167.07051	69.7
167.08446	4.7
168.07330	7.1
169.07625	4.3
171.06563	4.3
173.05986	6.1
174.59966	2.4
177.05504	38.0
181.04958	100.0
181.06552	5.1
181.08499	3.5
182.05386	2.9
183.06584	11.5
187.07561	12.5
191.07043	60.4
193.08565	9.8
204.07793	2.6
204.15802	2.8
205.06737	2.9
205.08578	13.2
207.10132	2.5
209.08104	69.0
217.08620	5.1
218.07220	2.7
219.08083	2.4
219.10149	10.0
221.08043	5.7
235.07436	3.2
235.09561	2.5
246.72557	2.5
247.07407	4.4
247.09724	6.8
249.11232	31.9
263.07071	4.3
264.07751	3.6
265.10699	10.5
271.09830	2.7
302.36685	2.4
307.09616	5.1
323.09082	2.8
369.13303	7.6
383.15012	3.7
389.15396	4.4
401.16058	20.9
419.11493	4.2
419.16742	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.8
56.74068	5.6
71.48332	7.2
79.05495	11.9
81.07005	4.9
85.02885	6.6
91.05481	12.6
91.82322	4.6
94.99548	4.7
95.08923	4.4
105.07014	12.4
107.04980	15.8
115.05441	8.9
123.04424	10.1
127.03883	7.9
129.07004	11.3
131.08578	9.5
133.06487	17.1
149.06012	5.3
153.05539	5.5
157.06528	8.7
159.08066	14.3
161.06009	14.5
167.07066	100.0
168.07478	6.0
173.05988	9.3
175.07610	10.5
181.04994	45.3
187.07559	7.6
191.07007	8.0
193.08650	24.4
205.08586	6.7
207.10295	6.4
208.05139	12.2
208.51900	5.7
209.08115	6.5
217.08586	10.1
219.10248	9.9
235.09735	16.8
247.09686	19.6
265.10806	12.3
269.08093	11.8
275.11581	5.1
287.05545	10.4
315.08698	47.5
330.11020	58.5
369.13327	8.0
383.14703	7.2
398.02866	5.3
401.15958	13.6
419.16965	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1702
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
55.01878	17.8
62.79734	2.6
64.95210	3.2
65.03929	8.1
67.05499	5.3
71.48754	2.8
73.87868	2.7
79.05486	12.7
85.02911	6.2
91.05482	9.3
95.04948	6.0
97.06551	3.3
100.11275	3.8
101.61092	3.0
103.05461	9.4
105.07021	10.1
107.04969	16.7
110.03658	4.8
115.05454	7.7
117.07021	5.3
121.06499	5.4
123.04431	12.9
124.05174	6.1
125.05997	4.5
128.06259	4.8
129.06996	10.8
131.04913	8.1
131.08553	9.1
133.06502	4.8
137.05980	3.9
141.06938	7.1
142.76024	3.3
144.05693	7.0
145.06506	4.1
147.08073	4.9
148.05145	4.9
149.05949	11.8
153.05544	3.4
159.08070	18.2
160.05138	3.9
161.06013	8.7
161.09628	3.5
163.07555	8.2
167.07043	96.9
169.07622	4.1
173.06009	6.0
174.06703	3.2
175.07573	12.5
177.05515	20.6
181.04968	100.0
181.06567	5.7
181.08479	8.6
182.05272	4.0
183.06551	11.9
184.88411	2.9
187.07530	17.1
189.05345	4.0
189.09056	5.6
191.07039	36.9
192.07645	3.7
193.08569	6.2
203.07014	7.8
203.10719	4.8
205.08624	9.4
206.09358	8.1
207.10101	5.0
209.06422	3.9
209.08131	24.4
215.06888	4.4
217.08623	5.7
219.08212	5.2
219.10071	16.2
219.33424	3.8
221.08099	10.6
221.11659	7.0
234.06525	4.7
235.09622	18.1
247.07544	4.3
247.09726	12.2
249.11235	41.3
264.07849	3.3
265.10736	12.5
278.61185	3.3
279.10056	4.8
307.09671	5.1
311.12912	3.7
315.08640	10.3
323.63922	3.6
330.10876	9.7
369.13330	12.3
383.14929	5.1
389.16101	5.8
401.15976	19.5
419.17139	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	418.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.15079	0.2
53.96985	0.3
55.05511	0.3
56.05043	2.7
63.30169	0.3
67.05514	2.1
69.31094	2.5
79.05502	4.0
80.05027	0.4
81.07054	3.1
82.06575	0.9
91.05482	4.1
93.07051	3.7
94.06578	0.8
95.04972	0.5
95.08612	2.2
95.63588	0.2
105.04530	0.3
105.07046	2.8
106.06599	0.5
107.07375	0.6
107.08590	0.9
108.08134	1.6
115.40225	0.3
117.07082	0.3
120.08121	0.7
121.08890	0.7
122.09679	3.1
126.68948	0.3
130.06544	2.2
134.09663	1.4
136.11227	19.2
137.11554	0.3
144.08110	1.6
152.26736	0.3
154.06499	0.6
155.07309	0.3
156.08138	1.4
158.09630	0.3
167.07178	0.7
168.08159	2.0
170.09636	0.4
180.08073	0.8
181.04901	0.4
182.09679	0.3
194.09702	1.0
197.10793	0.4
221.10770	0.3
229.46637	0.3
234.12863	0.4
247.12352	0.4
249.13910	2.1
251.15472	0.9
268.10062	0.8
269.10724	1.3
275.15405	0.4
281.10672	1.5
282.11560	5.9
283.12402	3.0
293.10651	1.3
294.11603	0.9
295.12292	3.7
296.13037	1.9
297.13867	3.4
307.12265	0.4
308.12958	0.4
309.13889	4.8
311.15488	3.3
321.13062	0.4
343.12054	0.4
345.13892	0.4
359.15527	0.4
372.16406	0.3
375.18564	0.9
418.22812	100.0
419.23129	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	418.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.05514	13.0
57.07061	2.7
65.03951	2.2
67.05514	16.6
69.03423	4.6
69.07092	11.8
69.83719	4.8
69.84110	7.5
71.04980	6.6
79.05492	23.8
80.92977	2.7
81.07052	35.8
83.04969	6.7
83.08650	4.0
84.57320	2.5
91.05485	45.2
93.07044	45.8
95.04972	10.7
95.08625	17.9
95.17226	2.4
97.06524	5.2
98.20768	3.0
103.05434	3.9
105.04583	2.5
105.07037	100.0
107.08598	37.0
109.06525	86.4
109.10158	18.3
111.08080	13.7
115.05452	3.7
116.06209	4.2
117.06992	15.5
119.06084	3.2
119.08591	78.5
120.09382	2.8
121.06484	7.4
121.10143	26.2
122.07290	7.8
123.08076	13.8
123.11691	3.8
125.09613	4.4
128.06247	12.1
129.06996	20.3
130.07765	7.1
131.08574	38.7
133.06523	3.6
133.10146	34.7
135.08130	14.4
135.11694	10.1
137.09625	24.5
140.88831	2.3
141.06979	9.2
142.07803	22.8
143.08580	42.8
144.09369	12.0
145.06419	3.4
145.10124	67.4
147.08049	17.3
147.11717	16.6
149.09605	10.2
149.13347	2.6
151.11201	4.8
153.06970	6.0
154.07803	3.4
155.08554	16.8
156.09331	19.6
157.10132	46.1
158.10912	8.2
159.08073	8.3
159.11708	30.7
161.09618	8.6
161.13260	4.7
163.11246	3.2
165.07094	9.1
167.08575	8.0
168.07446	3.6
168.09373	5.6
169.10115	20.8
170.10951	9.0
171.11707	27.0
172.12389	3.1
173.09605	5.8
173.13271	18.5
175.11194	6.9
175.14830	5.4
177.12796	4.3
179.08548	7.6
180.09317	7.5
181.10117	12.4
182.10838	5.7
183.11719	27.2
184.12503	2.9
185.09549	4.9
185.13251	12.0
187.11153	5.0
187.14796	6.1
188.12102	3.1
189.12712	6.7
191.14378	3.2
192.09402	4.2
193.10126	9.3
194.10883	8.8
195.11728	25.4
196.12453	5.1
197.09644	4.8
197.13254	13.5
198.13953	2.5
199.11246	8.7
199.14795	6.9
201.12708	8.5
203.08484	3.2
203.14388	2.8
206.11034	4.5
207.11641	13.1
208.12477	5.4
209.13228	18.0
210.14055	4.4
211.11160	6.9
211.14799	9.2
213.12743	10.7
213.16440	4.0
215.14270	4.0
219.11710	4.2
220.12387	3.6
221.13286	9.2
223.14818	11.4
225.12782	3.8
225.16393	3.8
227.14262	4.7
227.18025	3.0
235.14795	11.1
237.16400	16.6
247.14989	3.3
249.16182	2.8
253.15822	3.9
256.52652	2.8
261.16418	7.1
263.14435	2.7
263.17953	4.6
265.15826	3.3
301.19354	2.8
357.25760	4.8
385.25623	3.5
418.17419	10.1
418.28568	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.8
55.01861	10.3
55.05507	4.4
57.03430	8.2
60.86213	2.5
61.02919	7.4
65.03923	4.1
67.05492	8.1
69.03433	40.3
70.86778	5.6
71.04986	8.1
73.02901	5.3
79.05488	10.3
81.03421	32.0
81.07060	54.0
85.02913	90.7
85.03439	4.6
85.06546	100.0
87.00830	42.7
91.05475	8.6
93.07042	25.2
95.08595	12.1
97.02295	5.4
97.02895	68.2
99.04469	15.9
103.05494	2.6
105.01875	65.9
105.06988	3.4
107.04970	5.9
107.08637	14.2
109.02880	38.8
109.06503	3.0
115.03938	5.6
117.01884	2.7
117.06989	3.7
123.04403	4.1
127.03930	74.6
129.01848	2.7
131.04921	3.2
133.06383	4.4
135.11670	16.6
137.13242	10.0
145.04965	46.8
145.06108	4.6
145.06523	3.9
159.02898	12.2
167.07040	56.7
168.07390	35.3
172.81091	3.1
173.05997	7.4
174.06329	5.9
181.04982	30.1
182.05315	14.4
191.07025	9.3
193.08691	3.2
219.04805	3.5
231.05034	28.1
234.08511	6.2
249.05978	17.2
333.11703	13.3
371.26016	2.9
382.70914	3.0
388.14801	9.2
418.15707	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30309	2.5
55.84400	1.9
70.06576	2.9
71.48915	2.7
71.49290	3.1
85.02909	2.9
103.05473	6.1
107.04955	4.0
120.08111	100.0
124.03954	10.1
128.42703	2.0
135.04402	3.0
145.02870	4.3
163.03908	20.7
166.08653	51.1
202.18539	2.4
216.45692	2.1
221.03070	5.1
231.97688	2.4
258.90247	2.3
425.83011	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	417.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62453	0.5
53.03917	0.9
55.01836	0.7
64.10770	0.5
65.03894	2.0
67.05452	0.6
68.99777	0.6
69.03394	0.8
70.06563	0.5
71.04990	0.6
71.49219	0.6
78.04709	2.5
78.32906	0.5
79.05467	1.2
85.02871	1.2
86.09676	0.8
91.05437	1.1
95.04939	1.1
103.05446	1.1
105.07027	0.5
106.04137	2.2
107.04924	2.0
110.03660	0.5
115.05474	3.8
117.07022	5.8
121.02853	1.8
123.04426	7.4
124.05202	1.9
127.05387	0.9
137.05936	0.7
138.03128	0.9
144.05688	0.6
145.06477	7.7
151.03906	1.3
152.04710	2.4
153.01794	0.6
155.06026	4.0
165.05426	0.6
167.07045	100.0
168.07384	1.0
171.06511	1.0
173.06000	13.7
175.07571	1.0
181.04967	18.8
204.02588	0.5
205.08566	3.2
221.05093	0.7
233.08093	7.2
235.09698	3.9
285.12982	1.0
303.12775	0.7
357.00433	0.5
387.14386	13.7
417.17245	67.0
418.17343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01863	0.7
55.05503	0.5
57.03441	0.4
58.89581	0.3
65.03611	0.6
65.03939	6.2
67.05510	2.4
68.69386	0.4
69.03418	1.1
69.07059	0.5
78.04699	1.0
79.05504	2.3
81.03415	1.9
81.07043	1.4
82.00538	0.4
82.04207	2.0
83.04961	0.4
85.02441	0.4
85.02908	4.3
85.50413	0.3
86.17152	0.4
91.05463	1.3
93.03419	2.2
93.07047	0.8
93.64610	0.3
95.04951	1.2
95.08605	0.7
96.05749	0.8
97.02895	0.6
97.06506	1.9
100.04768	0.4
103.05482	0.4
105.04523	0.4
105.07016	0.8
107.04944	1.1
108.02083	1.5
108.08107	0.6
109.02876	0.6
109.06521	1.1
109.10136	0.5
110.03665	2.9
111.04440	1.0
115.05448	0.8
117.07037	0.8
119.08552	0.5
120.02106	0.5
121.06464	0.6
121.92799	0.3
122.03597	0.4
123.00806	0.4
123.04425	1.5
124.05222	1.9
125.05969	1.8
125.09638	0.4
129.05499	0.5
129.07011	0.6
131.04930	0.9
131.08566	0.4
133.10126	0.4
135.07994	0.4
137.02304	0.6
137.05943	0.4
138.03093	1.9
139.07574	1.6
142.02667	2.4
145.06483	1.1
151.03911	0.7
151.07500	0.4
152.04694	2.8
153.05466	1.1
155.06013	0.8
157.06508	0.6
159.08014	0.4
161.09740	0.4
163.07513	0.4
166.02641	0.4
167.07045	16.4
171.06551	2.7
173.05984	2.2
174.06769	0.5
181.04959	100.0
182.05267	1.0
189.09111	2.2
191.06993	1.4
194.52089	0.4
195.06540	28.7
204.11487	0.3
205.08629	0.8
217.08699	0.5
221.11621	1.6
233.08127	1.5
235.09743	1.1
235.13274	1.2
249.11246	2.4
251.86018	0.3
263.12750	1.3
269.23557	0.4
358.46008	0.3
368.79520	0.3
387.14432	2.0
407.01120	0.3
417.14670	3.9
417.19815	1.3
417.26529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62453	0.5
53.03917	0.9
55.01836	0.7
64.10770	0.5
65.03894	2.0
67.05452	0.6
68.99777	0.6
69.03394	0.8
70.06563	0.5
71.04990	0.6
71.49219	0.6
78.04709	2.5
78.32906	0.5
79.05467	1.2
85.02871	1.2
86.09676	0.8
91.05437	1.1
95.04939	1.1
103.05446	1.1
105.07027	0.5
106.04137	2.2
107.04924	2.0
110.03660	0.5
115.05474	3.8
117.07022	5.8
121.02853	1.8
123.04426	7.4
124.05202	1.9
127.05387	0.9
137.05936	0.7
138.03128	0.9
144.05688	0.6
145.06477	7.7
151.03906	1.3
152.04710	2.4
153.01794	0.6
155.06026	4.0
165.05426	0.6
167.07045	100.0
168.07384	1.0
171.06511	1.0
173.06000	13.7
175.07571	1.0
181.04967	18.8
204.02588	0.5
205.08566	3.2
221.05093	0.7
233.08093	7.2
235.09698	3.9
285.12982	1.0
303.12775	0.7
357.00433	0.5
387.14386	13.7
417.17245	67.0
418.17343	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
50.72957	0.6
53.03929	1.3
55.01863	1.4
58.92932	0.5
62.57365	0.5
65.03944	3.3
67.05501	1.3
69.36011	1.5
69.36423	3.1
77.03915	0.6
77.28017	0.5
78.04706	2.9
79.05494	3.5
81.07045	1.1
82.04224	1.3
85.02894	2.2
91.05451	1.6
93.03421	1.0
93.07040	0.6
95.04958	1.9
97.02910	0.6
97.06519	1.0
103.05479	5.4
105.03400	0.7
105.04540	0.6
105.07048	1.3
106.04179	1.9
106.88728	0.7
107.04980	4.9
109.02868	0.6
110.03662	1.6
110.08055	0.5
115.05443	3.2
117.07035	4.8
118.04155	1.2
123.04433	6.3
124.05196	1.3
127.05452	0.8
129.62936	0.6
130.04146	0.8
131.04938	5.0
133.06415	0.9
137.05978	1.2
138.03181	1.0
142.02617	0.6
145.06485	7.6
147.08081	0.7
148.05223	2.9
149.05841	0.7
151.03880	1.6
152.04692	1.9
153.05467	1.3
155.06052	2.9
159.08115	0.6
161.05998	0.8
163.07564	4.9
167.07045	100.0
168.07379	1.0
171.06543	1.1
172.05205	0.7
173.05998	14.6
177.05411	0.5
181.04967	43.8
187.07564	1.2
190.97580	0.6
191.07027	14.9
193.08554	0.8
195.06544	1.6
201.05421	1.2
205.08585	3.5
217.08621	0.7
219.10120	1.3
221.08061	0.6
233.08098	8.7
235.09566	3.0
301.10477	0.8
329.10226	1.2
357.13144	0.6
369.13400	0.6
371.14810	1.0
381.13522	0.7
387.14420	13.0
399.14792	1.1
417.15466	26.2
418.15967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03936	0.6
54.93229	0.3
56.68037	0.3
65.03911	1.3
67.05492	0.8
70.77232	0.7
70.77574	0.4
72.36606	0.3
77.03935	0.5
78.04720	3.5
79.05466	1.3
81.03420	0.4
81.07056	0.8
82.04197	0.8
85.02882	1.2
88.58501	0.4
89.73265	0.3
91.05464	0.9
92.54364	0.4
93.03361	0.6
95.04956	0.8
103.05463	1.6
106.04160	2.0
107.04966	1.8
110.03677	0.8
111.04414	0.5
115.05442	3.4
116.06210	0.3
117.07034	5.5
117.92924	0.3
121.02869	0.6
123.03595	0.5
123.04440	6.7
124.05216	2.7
125.05972	0.5
127.05434	1.0
134.03629	0.4
135.04375	0.4
137.06009	0.5
142.02625	0.4
142.99104	0.3
144.05759	0.5
145.05417	0.6
145.06496	8.8
148.05235	0.4
151.03894	1.7
152.04657	1.8
153.01874	0.4
153.05437	1.0
155.04913	0.5
155.06049	4.0
167.07040	100.0
168.07404	1.2
171.06540	0.6
173.05988	14.7
174.06602	0.5
175.07535	0.9
181.04959	21.7
188.17928	0.3
191.07053	1.1
195.06479	0.4
197.41296	0.4
201.05551	1.1
205.08607	3.1
217.08601	0.6
233.08070	6.8
235.09627	3.2
293.08234	0.3
347.00623	0.4
387.14407	12.0
406.49170	0.4
417.15445	25.1
418.15933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01875	3.6
55.33344	3.1
60.24261	3.2
65.03943	5.0
68.95408	3.1
70.06575	5.9
70.63748	9.4
71.04987	4.1
79.05494	5.8
81.04079	3.1
91.05474	10.3
93.03421	7.7
93.07055	9.4
95.04980	84.6
97.02882	5.8
103.05476	4.7
104.35467	3.2
105.07030	5.8
107.04968	34.5
117.07023	23.1
121.02882	24.9
121.06522	12.6
123.04432	47.2
125.02356	9.6
129.07007	7.7
131.04945	7.6
133.06474	3.4
135.08107	3.8
139.03934	6.4
145.06511	19.5
147.04459	5.0
147.08047	8.1
149.02361	9.8
149.05998	12.9
151.03908	37.1
153.05591	4.0
155.06084	3.5
163.07556	15.3
167.03410	34.3
167.07011	15.5
169.05031	8.8
173.05957	18.9
175.03906	6.7
175.07535	6.7
177.05469	8.9
185.04485	76.7
191.07071	29.1
193.08549	3.6
201.05426	3.9
219.06487	17.3
237.07518	17.4
251.37947	3.5
255.08643	100.0
255.11285	6.5
336.78598	3.4
339.75421	3.9
379.83090	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	417.1543
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
52.33394	0.5
53.03942	0.9
55.01860	0.9
62.26179	0.5
65.03928	1.5
67.05500	1.4
69.03438	0.7
70.20588	1.9
72.76460	0.6
77.56895	0.5
78.04716	4.1
78.36069	0.5
79.05495	2.1
81.07015	0.5
85.02412	0.6
85.02892	2.1
91.05480	2.1
95.04972	1.5
96.02431	0.5
97.02869	0.6
97.06550	0.6
98.21456	0.6
103.05461	2.1
105.06989	0.6
106.04179	2.0
107.04956	3.1
109.63372	0.5
110.03661	0.6
115.05442	3.1
117.07025	5.3
123.04424	7.8
124.05221	2.5
125.05982	1.0
128.06055	0.6
131.04921	1.5
133.06476	0.6
134.03664	0.6
135.11682	0.7
142.02644	0.6
143.04849	0.7
144.05655	0.7
145.06485	9.1
147.08044	0.7
149.05951	0.8
151.03902	1.4
152.04695	2.5
153.05440	1.1
155.06013	3.5
157.14517	0.6
163.07567	1.6
167.07045	100.0
168.07407	1.1
171.06538	0.7
172.05234	0.7
173.04497	0.5
173.05995	15.2
178.08658	1.9
181.04962	29.6
186.97472	0.7
191.07050	5.6
201.05544	0.9
205.08650	3.4
210.11272	1.8
217.08636	0.7
233.08098	8.4
235.09718	4.5
369.19409	0.5
378.88306	0.6
387.14429	13.3
399.14597	0.9
417.15451	31.0
418.15582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3572
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
51.89423	3.9
53.03949	5.2
55.05270	5.0
55.05515	63.8
57.07076	28.3
60.82674	3.7
66.45122	3.5
67.05513	37.8
69.07073	89.1
71.08620	8.1
73.04749	12.2
73.79121	3.9
79.05499	27.8
81.06600	4.3
81.07056	70.9
83.08617	83.0
89.06041	4.1
91.05438	12.5
91.05822	11.4
93.07047	46.8
95.08003	4.1
95.08608	60.9
97.10159	16.6
105.06542	3.1
105.07050	38.2
107.08604	36.6
109.06485	4.0
109.10162	28.4
117.07018	6.3
119.08595	42.7
121.10144	23.1
123.11696	10.7
131.08566	12.4
133.10147	26.2
135.11684	21.8
137.13275	7.0
145.10118	8.7
147.11697	17.7
149.13243	15.4
151.07626	4.8
159.11658	7.9
161.09535	5.3
161.13261	12.6
163.14822	6.7
173.13191	4.9
175.14832	12.4
189.16304	10.6
191.17892	3.4
192.25427	3.5
203.17982	6.1
231.21048	4.8
259.20560	5.3
277.21527	7.1
344.97443	18.2
345.27597	4.2
359.29193	6.7
373.31027	3.6
415.03702	5.9
415.35733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
57.03432	14.8
58.74651	1.4
59.07640	1.4
61.02709	1.2
61.02932	14.1
69.03432	28.6
71.01353	3.7
72.05314	1.5
73.02921	68.0
73.14015	1.7
81.03411	6.0
85.02909	100.0
87.04450	6.6
91.03932	4.1
97.02897	55.5
98.20749	4.8
99.04454	4.0
103.03941	2.0
109.02876	9.5
113.68167	1.5
115.03930	27.1
127.03920	24.8
133.04027	2.6
133.04971	35.2
145.04965	55.6
145.77789	1.7
149.25497	1.4
150.07614	1.5
163.06020	27.0
166.18756	1.7
199.13220	1.7
217.07054	1.8
223.06035	5.3
230.25517	1.6
241.07088	5.1
259.08139	7.3
265.16422	2.7
295.10159	2.1
326.11331	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	415.1004
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
52.63596	8.9
85.02904	17.3
97.02892	12.1
101.00854	14.5
106.41653	7.2
115.93912	8.2
127.02465	11.0
143.01889	12.9
148.38396	7.6
161.02936	9.2
173.02989	10.6
174.02960	10.6
203.04066	12.7
210.69138	8.5
211.00867	10.7
247.03076	9.9
271.37100	8.4
335.86212	8.3
355.05038	34.9
373.06039	24.3
415.10114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3778
Annotation	Poriferasterol
Peak:m/z	Relative Intensity
51.02420	2.3
53.03938	4.5
55.05512	25.9
57.07079	20.8
67.05503	36.8
69.07070	37.9
69.21439	2.3
71.08630	13.1
71.41032	3.9
79.05496	21.3
81.07056	61.0
83.08620	23.3
85.10184	11.8
85.39288	2.6
91.05482	24.5
93.07056	35.4
95.08614	53.8
97.06518	8.9
97.10168	15.0
105.07038	53.3
107.08593	36.4
109.10166	28.6
111.11724	11.9
117.07020	16.4
119.08572	31.8
121.10159	24.7
123.11709	12.5
129.07016	9.1
130.07814	2.7
131.08591	32.4
133.10136	37.1
135.11685	22.3
137.13245	7.5
143.08565	10.6
144.09343	6.8
145.10118	37.3
147.11693	25.6
149.13252	14.1
151.11198	2.8
157.10147	15.9
157.14525	2.6
159.11705	82.4
161.13277	35.4
163.11273	4.3
163.14818	8.1
165.16403	2.8
171.11681	14.9
171.88602	2.5
173.13293	25.3
175.14874	12.7
177.12747	17.2
179.14406	3.7
185.13277	12.8
187.14819	16.4
191.14360	5.1
199.14792	23.0
201.16382	15.3
213.16365	26.7
215.17961	7.8
217.15915	2.8
219.17520	3.8
221.22757	3.1
227.17941	6.3
231.17447	7.8
233.22639	4.6
241.19469	11.2
247.24197	5.2
255.21074	23.3
259.20721	2.8
273.22147	6.1
353.32062	3.9
395.36746	100.0
396.37064	2.8
413.32791	4.6
413.37802	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	413.3779
Annotation	Adiantone
Peak:m/z	Relative Intensity
51.02389	0.6
53.03935	1.0
55.01860	1.1
55.05496	3.9
57.07078	5.7
59.51353	0.7
67.05509	4.7
69.07069	9.2
69.29583	0.6
70.66807	1.5
71.08641	4.1
79.05064	1.2
79.05492	11.3
81.07061	15.1
83.04994	9.6
83.08624	3.5
85.10160	3.2
86.36003	0.7
91.05475	3.9
93.07040	5.3
95.05006	0.9
95.08615	11.9
95.65823	0.7
97.06531	100.0
97.10146	3.3
98.06907	1.0
105.07011	5.1
107.08605	6.5
109.06519	97.6
109.10155	5.8
110.06847	1.0
111.11707	2.4
117.07034	0.7
119.08575	4.1
121.06487	1.8
121.10166	4.9
123.08080	13.1
123.11707	3.5
125.13285	1.3
131.08571	2.3
133.10146	4.1
135.11710	3.7
137.09625	1.7
137.13237	1.4
145.10155	3.3
147.11682	2.1
149.09645	0.8
149.13297	1.1
151.11140	0.7
156.57108	0.8
157.10150	1.9
159.11685	3.6
161.13264	2.0
163.11177	3.0
163.14844	1.3
170.74979	0.7
171.11679	1.3
173.13281	3.1
175.14796	1.6
177.12743	1.7
185.13327	1.6
187.14859	1.5
188.45863	0.7
191.14339	1.3
193.19572	0.6
198.72435	0.7
199.14807	1.6
201.16441	0.8
203.14146	0.7
203.17871	0.7
213.16418	1.7
215.17989	1.1
227.17899	0.8
231.17378	0.8
241.19572	1.9
255.21100	2.6
259.20877	0.8
269.22617	0.9
353.32327	0.7
395.36639	8.3
413.37750	85.6
414.38055	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3415
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
50.76466	1.0
53.03936	2.9
55.05512	17.2
57.07063	5.3
63.94101	1.0
65.03897	1.2
67.05181	2.0
67.05508	26.2
69.03421	1.5
69.07073	27.0
70.68401	2.7
71.08599	1.4
75.94349	1.1
79.05495	18.1
81.03420	3.2
81.07059	45.6
83.04980	2.8
83.08619	10.9
85.10156	2.1
86.09684	1.2
91.05484	15.4
93.07050	26.0
95.04963	1.6
95.08608	48.2
97.06529	2.6
97.10169	5.1
105.07035	27.3
107.08596	25.6
109.06532	1.4
109.10159	26.6
111.08063	1.2
111.11717	2.6
114.93583	1.2
117.07024	9.0
119.08583	28.0
121.10148	19.6
123.08060	2.0
123.11698	16.3
125.09641	1.3
129.07005	3.5
131.08575	23.3
133.10130	24.5
135.11708	15.4
137.13251	5.8
143.08569	5.1
144.09332	2.0
145.09052	2.3
145.10132	25.7
147.11690	15.7
149.13281	11.0
151.14908	1.3
157.10127	6.7
159.11710	23.5
161.13269	12.6
163.14842	6.4
165.16478	1.7
169.10129	1.9
171.11697	4.7
173.13281	15.1
175.14818	7.7
177.12746	1.7
177.16412	3.8
184.07355	1.5
185.13240	5.3
185.94054	1.2
185.97404	1.1
187.14796	14.2
189.12781	1.2
189.16402	4.8
191.18118	1.4
195.13782	1.8
199.14832	2.6
201.16374	9.7
203.17970	2.4
209.13252	1.2
213.16414	1.5
215.18034	6.9
217.19490	1.7
223.16895	1.8
227.18059	2.3
229.19595	7.2
229.21637	1.3
230.86073	1.3
235.16833	1.8
237.18570	2.0
243.21126	3.9
249.18597	1.6
249.92065	1.2
251.20232	1.6
257.19122	1.5
257.22614	3.1
261.18539	1.7
263.19958	2.7
275.20111	2.9
277.21686	5.4
289.21774	4.9
291.23227	2.9
301.21677	2.8
303.23282	5.1
305.24753	2.6
311.23825	1.7
313.25122	1.4
315.23145	3.7
317.24799	4.0
329.24994	2.8
331.26431	4.0
339.26871	1.5
343.26282	6.1
354.67950	1.4
357.27908	6.0
371.29324	3.7
413.22058	3.3
413.34174	100.0
414.34537	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	413.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04568	2.0
58.99856	2.9
60.38247	1.8
65.53989	1.8
68.98291	2.6
73.85740	2.1
77.21962	1.6
79.05499	5.3
82.33598	1.8
85.01420	2.0
86.99333	3.3
89.03909	9.2
91.05505	2.5
95.04951	3.8
101.00880	13.3
103.02482	2.2
105.00346	2.1
107.04957	78.5
111.02965	5.9
113.00850	2.3
115.02435	4.4
117.03374	12.3
119.01931	13.4
121.06506	5.0
127.02406	7.2
129.04007	11.5
131.01923	5.5
133.03506	4.4
135.04408	14.9
136.75661	1.9
137.04480	3.6
141.03976	3.4
143.01880	4.6
144.99814	3.3
145.03482	9.9
147.05022	3.9
153.03972	6.9
155.05540	27.3
157.03487	3.2
161.03143	2.9
163.03912	100.0
163.06097	3.9
164.04274	7.0
165.03955	3.8
167.05495	2.4
169.03456	11.3
169.07042	4.8
171.01447	3.6
171.05103	12.2
172.99402	1.8
173.02885	2.9
173.06587	8.9
179.05598	2.4
181.03468	2.5
181.07117	34.1
183.05064	5.3
187.04530	5.6
187.08205	4.1
189.02336	3.5
195.05067	3.0
195.08694	3.0
197.02977	7.7
197.06636	5.7
199.00836	2.5
199.04550	2.0
199.08197	15.5
203.03966	2.8
207.03320	2.3
207.05104	10.8
209.02939	3.1
213.06183	4.5
213.09787	10.1
215.03966	3.7
221.02989	3.9
223.08156	11.5
225.02409	6.1
225.06052	19.0
233.02956	5.1
233.05020	3.5
239.07582	3.7
243.07202	8.3
249.06091	5.5
251.04073	3.3
257.08838	3.8
267.07135	35.9
275.04031	3.0
275.07520	3.4
279.06989	2.0
281.08817	2.0
285.08173	5.3
293.05106	23.6
293.08264	3.1
297.08151	6.8
305.05322	2.9
307.06793	2.8
307.10278	11.4
309.08163	2.9
311.06213	3.9
321.04434	2.2
325.07532	4.2
333.03177	2.6
335.09879	3.6
353.07077	12.0
361.06400	4.5
365.07208	2.2
374.53156	2.1
375.04083	3.6
381.10300	6.6
395.12158	3.5
413.08560	4.7
413.13293	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01856	1.8
55.05518	4.8
56.05037	3.8
57.07065	1.5
60.04516	2.0
65.03959	0.6
67.05508	12.3
67.53647	0.5
68.05010	0.7
69.03428	4.9
69.07076	4.5
70.95347	0.9
71.04985	2.5
79.05497	14.5
80.05016	3.2
81.03421	2.3
81.05802	3.8
81.07057	13.0
82.06581	5.4
82.07364	0.7
83.04994	0.7
83.08620	3.1
85.06535	1.7
86.06094	0.6
87.04453	2.9
91.05487	7.5
93.05771	0.7
93.07047	23.8
94.06576	19.5
94.07211	1.0
95.04993	3.4
95.08611	21.0
96.08102	2.8
97.02889	0.6
97.06543	3.6
97.10175	1.8
103.05463	0.6
105.04510	0.9
105.07034	11.7
106.06518	0.7
107.07328	3.5
107.08588	1.8
108.08130	1.3
108.08877	0.6
109.10169	1.1
110.09693	12.1
111.08085	14.3
118.27277	0.7
119.08577	2.0
120.08067	0.8
121.10155	1.8
122.09675	36.7
123.08073	25.4
128.10718	37.8
133.10193	0.8
135.11646	0.9
140.10709	100.0
141.09100	8.9
141.10930	1.1
142.25385	0.5
145.10159	0.7
149.13277	0.9
157.10199	1.0
158.11786	9.0
159.11658	1.1
184.07591	0.6
254.24867	1.6
272.25897	6.5
305.03555	0.6
364.32251	0.7
376.32242	1.1
382.33066	3.6
394.33170	12.6
395.33560	0.8
412.18274	1.0
412.34161	9.0
413.21915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0848
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
71.48306	17.5
77.53428	15.6
84.23022	13.1
90.61301	13.4
95.53931	15.0
130.85576	16.7
190.07072	15.5
306.34241	17.5
413.08255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.7
55.05509	5.9
57.03439	29.3
59.05006	4.0
60.04527	2.8
61.02925	8.0
65.35416	2.8
69.03432	91.6
69.72259	19.4
71.05009	6.0
73.02914	14.6
73.12967	2.9
75.04469	4.0
76.17066	2.5
81.03415	5.3
81.07077	3.2
83.04978	3.5
83.08624	6.2
85.02908	94.2
87.04470	51.1
91.03974	3.9
97.02899	76.9
99.04422	4.5
104.10729	3.3
109.02899	4.6
111.08086	3.9
115.03929	97.1
119.19747	3.0
127.03950	16.1
133.04964	100.0
135.08028	3.5
144.08058	3.8
145.04964	36.3
150.07617	13.7
155.39273	2.8
155.51826	3.0
163.06015	11.3
167.10695	5.0
169.04939	3.7
245.13956	4.2
263.75845	2.9
277.09167	3.0
301.09464	3.0
408.58902	2.9
412.21561	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.6
58.06610	1.6
67.07146	0.8
69.33599	6.5
70.06593	7.7
72.04514	1.8
80.65668	0.8
81.07049	0.9
82.06586	1.5
84.04510	2.5
88.07632	3.8
98.06043	1.2
100.07629	5.2
102.09190	4.9
108.08109	1.0
114.81310	0.8
115.05437	1.3
117.07030	3.0
120.08131	1.3
122.09665	1.9
128.07094	20.7
130.06538	1.5
132.06564	1.6
136.07643	1.1
138.09154	1.7
143.07333	2.3
144.08102	80.8
155.06010	1.0
156.06506	1.4
156.08124	2.6
158.08263	1.0
158.09677	2.1
160.07640	1.2
164.07100	1.2
166.08685	1.9
167.07289	1.1
168.08142	1.6
170.09656	3.0
180.08138	4.2
180.10030	1.0
182.08202	1.0
182.09683	1.4
185.10812	3.1
188.09204	37.1
194.09683	3.3
214.10782	1.1
220.11185	1.0
221.10791	1.1
222.09145	3.4
222.12871	2.9
223.12430	1.6
225.13902	1.9
226.10732	2.4
228.12395	1.8
234.12859	1.8
240.12326	1.2
250.08792	1.9
251.15465	9.9
269.15033	3.6
293.13098	1.1
313.54376	1.0
325.15396	1.9
380.19754	1.9
382.21252	0.9
395.19498	1.0
412.22363	100.0
413.22482	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	2.7
55.01871	10.6
55.05500	2.8
56.19461	2.5
57.03440	20.7
61.02938	19.8
69.03432	33.9
71.01357	4.2
71.04995	7.2
71.09942	5.5
71.10281	3.0
73.02511	5.2
73.02923	85.5
81.03409	7.5
83.08607	5.5
85.02911	100.0
87.04472	4.9
91.03935	4.5
95.04969	2.6
97.02898	55.8
99.04447	4.3
103.03951	5.1
105.66911	2.6
109.02895	10.5
111.08086	4.2
113.09651	3.6
115.03940	33.3
127.03928	36.2
129.09033	3.0
131.23361	2.5
133.04982	42.0
145.04970	59.9
150.07661	3.3
163.06026	22.7
175.77881	2.7
177.63602	2.5
179.10721	2.7
197.11664	4.6
212.45543	2.8
215.12859	2.7
223.06110	4.4
227.12817	2.9
241.07104	10.3
256.72827	2.4
259.08215	9.2
263.15039	7.3
372.63391	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	411.3624
Annotation	24-Methylenepollinastanone
Peak:m/z	Relative Intensity
53.03925	0.7
54.20770	0.4
55.05511	5.0
57.06829	0.6
57.07080	6.7
59.34903	0.5
66.88712	0.4
67.05504	5.1
69.07074	10.1
71.08288	0.6
71.08637	7.7
71.40850	0.9
72.62203	0.4
75.18421	0.5
79.05502	4.3
81.06601	1.1
81.07062	20.1
83.04995	3.8
83.08645	3.9
85.10194	4.1
85.87810	0.4
91.05474	2.9
93.07046	8.4
95.08611	14.4
97.06532	6.9
97.10164	3.8
105.04532	0.5
105.07032	4.4
107.04932	1.1
107.08601	8.7
109.06529	2.2
109.09470	0.6
109.10163	6.1
111.11734	2.2
117.06997	1.3
119.08589	3.4
120.24009	0.4
121.06493	1.3
121.10153	5.9
122.65124	0.4
123.08096	1.7
123.11710	2.5
128.06194	0.5
129.07027	0.9
131.08572	2.2
133.06451	1.2
133.10184	3.0
135.11699	7.5
137.13264	1.7
140.01059	0.4
141.06934	0.5
142.07808	0.6
143.08560	2.1
145.10146	2.4
147.08041	2.4
147.11681	1.8
149.09631	3.7
149.12236	0.5
149.13237	3.1
151.14848	0.6
157.10168	3.0
159.11761	1.1
160.08717	0.5
161.09615	9.0
161.13306	0.8
163.11185	4.1
163.14819	4.8
171.11723	2.4
173.13275	1.3
175.11203	7.2
175.14769	0.6
177.12737	0.9
177.16376	4.3
185.13283	1.0
187.14821	0.6
189.12766	1.0
191.17993	1.6
197.13229	0.8
201.12613	0.6
205.19516	1.2
206.11929	0.5
213.16302	1.0
215.14319	0.6
229.16084	0.5
253.19556	0.6
275.27380	6.7
353.32129	0.9
388.24255	0.5
393.35272	0.9
411.36234	100.0
412.36560	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	411.3623
Annotation	7-dehydroporiferasterol
Peak:m/z	Relative Intensity
53.03931	7.3
55.05501	16.1
56.35748	3.5
57.07071	21.7
67.05506	34.2
69.07075	44.2
69.16954	6.7
69.17358	32.0
71.08646	23.0
74.00945	3.5
79.05505	29.9
81.03400	3.7
81.07065	93.8
82.52193	3.9
83.04978	11.6
83.08643	29.1
84.46368	3.7
85.10172	16.6
86.33738	4.4
91.05497	27.1
93.07056	43.2
95.04970	7.5
95.08614	77.8
97.10166	18.7
105.07039	62.1
107.04945	5.3
107.08611	36.5
109.06518	7.3
109.10149	34.2
111.11723	6.6
117.07016	13.8
119.08594	26.6
121.06485	7.0
121.10155	28.3
123.08135	5.2
123.11713	15.5
129.06981	13.8
131.08583	24.9
133.10124	27.8
135.08072	4.6
135.11707	22.6
137.13269	7.7
142.07735	8.3
143.08582	15.1
145.10126	36.1
145.29089	3.8
147.11681	24.3
149.09627	4.6
149.13237	11.5
155.08577	7.6
157.10176	34.8
159.11690	25.6
161.13274	12.9
163.11115	4.9
163.14815	7.4
168.09343	4.3
169.10123	5.4
171.11699	16.8
173.13234	15.2
175.11211	12.8
175.14841	6.0
183.11673	8.1
185.13283	9.0
187.14774	10.8
189.12698	7.5
189.16499	4.3
191.14429	3.8
197.13260	10.7
199.14841	7.3
201.16495	7.6
211.14810	12.0
213.16368	8.1
215.17966	4.9
225.16336	8.3
229.16005	5.4
239.17970	7.4
253.19472	7.0
317.28458	12.3
383.36694	7.0
393.35226	37.4
403.91492	4.0
411.36224	100.0
412.36606	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	411.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05522	11.1
67.05505	19.6
69.06727	1.9
69.07069	19.3
70.20662	6.4
77.03905	1.4
77.12630	1.4
79.05496	18.3
80.61633	1.3
80.62112	1.3
81.07059	51.4
83.08621	7.1
91.05484	14.4
93.06492	2.3
93.07049	42.1
95.08613	100.0
95.92099	1.4
97.10166	5.9
103.05479	1.4
105.06401	2.2
105.07043	25.8
107.08600	82.2
109.10162	41.4
111.08090	1.9
117.07015	1.7
119.08584	34.0
121.10149	52.6
123.11710	15.6
126.03892	1.3
129.06941	1.6
131.03198	1.7
131.08553	4.4
133.10143	27.5
135.11691	29.2
137.13264	3.5
143.08595	2.4
145.10118	6.9
147.11696	19.2
149.13263	34.8
151.14873	1.3
157.10078	2.0
159.11729	7.7
161.13245	19.0
163.11182	1.8
163.14825	56.4
165.12770	2.0
173.13287	7.7
175.14838	19.1
177.12776	2.6
177.16374	18.0
179.14337	6.6
181.15878	2.0
187.14824	10.7
189.16377	26.0
191.17966	14.0
201.16411	6.7
203.17970	25.1
205.19527	4.0
207.17464	5.2
215.17995	4.2
217.19511	4.4
229.19539	3.7
231.21133	13.8
233.19048	3.8
233.22746	2.2
241.19371	1.5
247.20747	1.7
255.21074	1.7
269.22403	1.5
297.25821	9.8
315.26843	7.1
341.28342	2.0
393.35245	10.5
411.30667	3.0
411.36200	62.1
411.95688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05281	2.3
55.05514	30.4
57.03437	1.8
57.07061	5.3
67.05515	24.3
69.03431	4.2
69.07068	25.7
69.64770	11.2
71.04987	2.4
75.90401	1.8
79.05505	20.2
81.03397	6.7
81.07064	42.7
83.05005	2.3
83.08624	71.4
85.10162	2.0
89.58875	1.6
91.05481	24.6
93.07048	39.8
93.66875	1.8
95.04943	3.2
95.08611	74.5
96.08916	3.4
97.02901	3.4
97.06528	2.4
97.10136	4.9
105.07041	42.0
107.08603	75.5
109.10172	32.7
111.08099	3.6
117.07008	5.0
119.08590	100.0
121.10153	86.1
123.08080	3.9
123.11709	8.8
131.08594	11.4
133.10138	56.4
134.10429	2.5
135.08057	1.9
135.11710	34.0
137.13237	4.3
140.82123	2.1
140.83273	1.8
143.08566	4.3
145.10149	15.1
147.11702	37.9
148.11961	2.6
149.13269	17.4
151.14864	3.4
153.09122	10.9
155.08493	1.9
157.10101	7.6
159.11703	10.8
161.13263	16.6
163.14825	31.9
165.12675	2.2
167.10641	2.3
171.11671	6.7
173.13242	8.3
175.14832	49.6
177.16400	64.7
178.16708	1.9
183.11711	2.8
185.13216	4.1
187.14790	6.9
189.16396	93.8
191.17979	26.1
193.12302	3.4
199.14813	3.7
201.16367	12.3
203.17984	18.5
205.19507	2.0
207.17468	4.4
213.16351	8.0
215.18018	4.6
217.15973	2.2
217.19556	4.8
221.15482	1.9
229.19475	3.1
235.16920	13.2
241.19522	4.9
243.21007	4.3
247.16988	7.4
253.19571	2.0
261.18610	1.9
269.22632	4.2
272.25574	2.0
283.24222	4.4
329.24741	4.3
341.24640	3.2
355.26279	5.4
365.32077	15.8
411.19803	7.6
411.27359	3.0
411.32422	36.7
411.37225	2.0
416.42374	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05516	22.0
57.07076	3.8
61.42388	1.1
67.05512	14.6
69.07070	23.7
69.84859	6.5
73.07296	1.2
79.05511	10.7
81.03416	1.4
81.07066	30.4
83.08626	60.2
91.05486	14.7
91.99879	1.2
93.07050	23.2
95.04964	1.8
95.08613	57.1
96.08950	1.8
97.10182	3.0
98.20756	1.4
103.05429	1.3
105.07035	30.7
106.07352	1.6
106.71631	1.3
107.08605	51.4
108.08941	2.0
109.10162	28.4
111.08077	2.0
117.07027	2.7
119.08587	61.5
120.08913	1.9
121.10152	55.2
122.10490	1.5
123.11712	9.1
129.07019	1.7
131.08589	7.9
133.10146	36.2
135.11699	20.9
137.13266	3.0
143.08542	2.6
145.10150	11.4
146.10712	1.8
147.11705	24.6
149.13283	12.7
151.14835	5.0
153.09117	6.4
157.10121	2.6
159.11729	7.3
161.13281	11.6
163.14813	25.9
165.09193	1.8
165.16385	1.6
167.10725	1.3
171.11674	3.2
173.13295	6.3
175.14836	43.8
177.16402	46.4
177.74759	1.2
178.16777	1.7
183.11858	1.4
185.13242	1.3
187.14874	7.3
189.16393	100.0
190.16673	2.7
191.18021	9.5
193.12311	1.7
199.14900	1.5
201.16370	12.5
203.17982	17.8
204.18384	1.8
207.17451	3.6
213.16374	4.0
215.17909	5.4
217.19522	3.7
221.15413	1.9
227.17917	2.3
229.19547	5.0
235.16960	8.4
241.19569	2.3
243.21158	1.8
247.16953	2.6
249.18491	1.5
255.21085	2.0
261.18481	1.8
267.21140	1.2
269.22714	2.0
273.18506	1.3
281.22513	2.1
283.24191	5.1
295.24307	1.4
309.25739	3.0
327.23148	1.6
329.24783	3.6
355.26300	2.2
365.32074	15.8
411.18121	4.5
411.32175	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
53.69616	2.1
55.05511	32.3
56.10196	1.9
57.07060	4.8
65.03903	2.3
67.05507	15.0
69.03417	3.3
69.07068	33.8
69.27321	20.2
77.80141	2.2
79.05491	16.2
81.07055	38.6
83.08622	79.2
86.97246	2.0
91.05476	19.1
93.06493	3.0
93.07045	41.6
93.57419	2.1
95.04937	2.5
95.08609	73.6
97.10163	6.2
100.51068	2.1
105.07035	45.3
107.08592	77.7
108.08916	2.9
109.10162	39.7
111.08086	4.3
117.06988	3.5
119.08587	100.0
121.10145	83.8
123.11713	12.1
131.08589	10.4
133.10129	68.0
135.11702	41.9
137.13210	4.8
143.08514	5.0
145.10132	13.4
147.11697	34.0
149.13278	16.7
151.14836	2.6
153.09123	9.2
157.10104	3.5
159.11719	10.0
161.13228	14.2
163.07457	2.1
163.14832	37.6
165.09099	3.0
167.10587	2.6
171.11685	3.2
173.13284	9.1
173.56715	2.2
175.14841	55.8
176.15117	3.1
177.16389	71.5
178.16626	3.1
187.14819	9.6
189.16383	91.3
190.16685	3.5
191.17963	28.4
195.34558	2.7
199.14752	3.0
201.16411	12.4
203.17944	20.8
205.19652	2.5
207.17406	6.9
213.16426	8.5
215.17885	6.9
217.15895	3.4
217.19550	6.2
221.15382	2.9
227.17952	3.6
229.19444	4.1
235.16940	17.0
241.19447	4.4
247.16954	9.1
249.18607	3.4
255.21187	3.9
261.18494	2.3
269.22604	4.2
281.22791	2.8
283.24167	4.1
309.25937	3.2
327.23285	3.5
329.24927	4.4
341.24225	2.5
355.26526	6.5
365.32147	16.1
411.32352	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44746	1.1
53.03940	2.3
53.57900	1.1
54.89146	1.0
55.05279	1.9
55.05515	25.5
57.07072	2.8
63.25892	1.0
65.03950	1.9
65.72374	1.0
67.05506	14.6
69.07068	24.7
69.48338	2.9
69.48746	4.9
79.05491	13.4
79.07651	1.3
81.03415	1.7
81.07058	29.9
81.26263	1.1
82.07390	1.5
83.08618	69.1
91.05481	14.7
93.07046	29.6
95.08609	64.9
96.08952	1.6
97.10152	3.4
105.07027	31.7
107.08597	53.8
108.08871	1.3
109.10152	33.8
111.08091	2.1
117.07023	2.7
119.08579	69.2
120.08865	2.7
121.10144	60.8
123.11721	10.8
129.06975	1.2
131.08559	7.7
133.10132	42.5
134.10449	2.0
135.11693	25.3
137.13248	3.2
139.07570	1.8
143.08568	3.9
145.10127	9.2
147.11691	30.4
149.13245	13.3
149.43816	1.1
150.13660	1.4
151.14787	2.1
153.09091	7.9
157.10083	2.7
159.11676	7.6
161.13269	17.0
163.14818	27.4
165.16330	2.6
167.10664	1.8
167.40302	1.1
171.11725	1.3
173.13275	7.6
175.14833	45.8
176.15147	2.4
177.16388	55.3
179.10713	1.9
181.06548	1.1
185.13286	2.4
187.14819	5.7
189.16385	100.0
190.16765	3.3
191.17970	10.3
193.12096	1.7
193.15846	2.4
199.14856	2.6
201.16403	13.5
202.58180	1.2
203.17958	19.5
204.18343	2.0
207.17395	4.6
213.05504	1.5
213.16368	6.4
215.17982	4.3
217.15851	2.3
217.19566	6.0
221.15387	2.6
225.16296	1.1
227.17979	3.7
229.19470	2.5
233.15527	1.1
235.16951	9.5
235.87282	1.3
241.19513	3.0
243.21170	1.8
247.16931	4.8
249.21817	1.3
255.21075	1.9
261.18600	1.8
269.22623	2.1
273.18646	1.4
281.22601	1.9
283.24203	3.9
295.24234	1.6
309.25711	4.1
323.27313	1.4
327.23123	2.5
329.24673	4.5
337.14355	1.2
341.24997	1.4
355.26276	3.8
365.32053	14.4
393.34607	3.2
411.18277	3.6
411.32251	33.6
412.32950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.4
53.40390	3.2
55.01873	4.5
55.05506	24.4
57.03426	5.7
67.05505	50.4
68.89278	3.1
69.07064	24.9
71.04970	9.0
72.62823	3.6
79.05158	2.7
79.05510	30.4
81.06606	5.6
81.07061	97.5
83.04960	6.0
83.08620	16.3
85.06548	4.7
91.05479	37.2
93.07055	35.2
95.04945	4.8
95.08614	100.0
97.06512	15.6
97.10136	7.6
98.20745	7.3
98.21419	13.6
98.26352	3.6
99.08079	9.3
103.57980	3.2
105.06394	5.9
105.07037	63.3
106.07386	6.6
107.08607	27.0
109.06497	9.9
109.10177	17.1
111.08092	5.3
113.09670	4.6
115.05442	6.7
117.06976	8.6
119.08586	50.1
120.44994	3.3
121.10149	24.3
122.09658	6.8
123.08062	7.9
123.10014	3.7
123.11700	7.5
125.09651	6.0
131.08534	9.5
133.10143	37.9
135.11665	21.8
137.09618	5.3
137.13257	16.8
143.08569	8.7
145.10135	9.5
147.04445	4.0
147.11659	10.3
149.13245	6.3
153.06937	6.2
157.10069	4.1
159.11670	8.1
161.11992	6.8
161.13258	79.1
163.14824	7.5
164.11430	3.9
165.07008	3.8
165.12785	7.0
173.05992	4.0
173.13190	4.1
175.03917	4.2
175.14804	5.7
177.16409	9.3
179.14323	54.4
181.06494	12.9
183.11458	4.3
185.13316	3.6
187.14755	5.2
189.16330	7.4
195.08051	4.6
197.05971	13.1
197.15363	8.4
199.03944	20.7
199.07516	9.1
201.05435	9.7
211.07556	5.9
213.05548	4.7
217.04967	14.4
225.05417	15.0
227.07019	13.5
239.07019	4.1
309.14740	6.9
319.13251	6.2
337.14407	20.9
355.15302	10.6
357.28214	4.7
375.28641	3.8
411.17999	78.3
411.31598	7.3
412.18680	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	410.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56976	14.2
55.05514	100.0
66.38361	11.6
67.05508	31.7
69.07068	23.4
71.49464	23.5
79.05483	34.3
81.07048	62.3
83.08623	55.4
85.97256	12.1
86.42234	14.9
91.05489	41.6
93.07043	66.4
95.08607	94.0
105.07030	50.5
107.08611	51.0
109.10158	37.2
117.75825	13.1
119.08543	35.6
121.10143	38.4
123.11730	13.2
133.10143	42.7
135.11758	30.1
147.11726	25.4
149.13246	22.5
161.13231	19.4
163.14767	33.8
167.82918	13.8
177.16420	21.2
189.16318	26.3
189.60460	13.6
189.62343	15.0
243.78635	14.4
275.20035	23.4
349.57510	14.3
410.35193	32.7
411.36185	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64733	9.8
71.47981	11.5
71.48364	8.4
101.00915	15.5
107.09201	7.6
111.62279	8.4
119.01913	12.4
138.16261	8.8
143.01881	14.4
146.23380	8.2
147.03267	10.9
163.02736	9.7
171.05029	9.9
203.04013	12.8
263.06088	10.4
269.05328	8.9
286.85953	9.4
305.09164	13.5
367.19012	8.9
379.64694	8.5
383.16562	8.3
411.06671	100.0
411.11301	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	411.1919
Annotation	Brucine N-oxide
Peak:m/z	Relative Intensity
53.90819	0.4
67.05503	0.9
69.03429	0.5
70.65298	1.0
71.04998	1.1
75.14183	0.4
81.03408	0.5
81.07066	0.5
82.06590	1.0
88.03978	0.4
89.28470	0.3
91.05484	1.0
93.07062	0.5
95.04983	0.8
96.04523	1.7
96.08132	0.5
102.05561	0.5
105.07043	0.6
106.06561	0.6
107.04951	0.4
109.63794	0.3
114.05538	2.4
115.05466	1.4
117.07027	4.4
119.08586	0.6
124.03973	3.2
128.06230	0.5
129.06987	0.7
130.06531	1.9
131.08594	0.4
132.08113	0.5
138.05493	0.9
141.07034	0.4
143.07315	3.8
143.08521	1.1
144.08101	100.0
145.06520	0.5
145.08366	1.7
146.05969	0.4
150.35393	0.3
153.05457	1.1
153.06926	0.4
155.06033	0.8
155.07271	1.7
156.08130	0.9
158.09683	6.4
166.08679	1.7
167.07173	1.0
168.08119	0.8
169.08940	0.3
170.09676	7.4
173.92212	0.4
177.24622	0.4
180.08084	0.6
181.08968	0.5
182.09726	0.7
185.06071	0.4
192.10210	0.6
194.09625	1.0
197.06003	0.9
197.10788	1.4
199.03938	2.0
199.07629	0.4
204.08235	0.5
208.09697	0.5
208.11415	0.4
211.07600	0.5
213.05551	0.7
217.04997	0.9
220.09727	1.8
222.09241	1.9
222.12843	0.5
224.13077	0.8
225.05528	1.0
236.09227	3.4
249.13728	0.5
250.08691	1.1
266.10516	0.4
268.11829	12.4
280.11752	1.8
282.11325	1.3
319.14218	1.0
337.14322	0.8
351.17059	8.4
352.17517	0.4
353.86014	0.4
379.16473	0.4
393.31625	0.4
411.19162	64.5
412.19461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05510	18.9
57.07077	10.6
62.42635	1.5
67.05505	25.1
69.07069	58.3
71.08620	4.6
71.33244	2.3
79.05495	12.3
81.07056	97.1
83.08615	16.4
85.10153	1.7
91.05498	7.7
93.07047	29.5
95.08610	79.5
96.08971	1.4
97.10184	11.3
98.30611	2.0
105.07023	21.6
107.08594	35.4
109.10158	52.7
111.11717	6.3
117.07019	3.3
119.08589	31.4
121.09337	2.8
121.10147	36.5
123.11712	27.7
131.08549	9.7
133.10127	24.5
135.11693	25.3
137.13260	16.3
137.75703	1.7
143.08574	2.7
145.10138	13.7
147.11681	23.1
148.63202	1.5
149.13255	16.3
151.14819	3.8
157.10101	2.5
159.11702	18.4
161.13249	25.7
163.14810	14.7
165.16382	3.5
171.11679	3.5
173.13264	22.5
175.14827	11.9
177.16391	11.7
185.13234	4.1
187.14842	11.8
189.16376	11.2
191.17967	7.1
199.14627	1.7
201.16408	8.7
203.04245	1.5
203.18021	8.4
205.19585	4.1
213.16391	6.0
215.17937	15.1
217.19519	7.4
227.17992	1.8
229.19524	18.8
231.21068	5.3
243.21095	2.0
245.22572	2.5
257.22736	4.1
259.24243	3.9
271.24252	6.9
283.24280	2.4
285.25854	7.1
297.25806	2.9
299.27316	4.9
313.28680	1.7
327.30365	7.1
353.32098	3.9
367.33557	3.4
409.38300	100.0
410.38705	2.2
412.11200	1.4
434.62030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96588	40.9
58.17597	8.0
69.50988	57.1
70.06587	7.7
71.53741	7.4
82.38916	7.2
84.08121	12.3
89.03910	17.1
98.97592	9.9
107.04958	16.1
108.55234	8.5
117.03429	10.9
120.08110	100.0
124.35421	8.9
130.05023	9.9
135.04393	16.6
142.03378	10.3
143.00163	19.1
145.02831	11.4
146.09718	10.3
163.03918	70.6
164.04233	8.1
166.08652	32.7
196.98900	9.0
214.21477	9.7
235.97392	14.0
237.00696	10.6
252.97955	18.8
253.98260	26.2
255.01755	29.3
273.02792	20.6
323.04315	11.2
410.02478	14.4
410.14227	48.7
411.05930	19.9
429.06836	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	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03939	3.1
53.98800	2.5
55.05511	23.1
57.07080	14.2
58.85743	3.1
67.05507	30.4
69.07071	58.6
70.78899	6.7
79.05488	15.1
81.07055	87.0
83.08614	28.2
85.10156	2.7
91.05479	10.8
93.07047	32.4
95.07991	3.8
95.08609	74.7
97.10181	7.9
105.07038	26.2
107.08591	42.8
109.10152	51.7
111.11702	4.8
117.07022	5.2
119.08585	25.9
121.10142	40.4
123.11700	31.6
131.08603	13.4
133.10136	27.0
135.11700	22.9
137.13263	16.6
143.08591	5.4
145.10104	17.0
147.11696	27.8
149.13272	28.4
150.57668	2.9
151.14867	5.5
157.10126	5.6
159.11708	26.8
161.13274	18.6
163.14857	14.4
171.11780	5.5
173.13269	17.5
175.14777	12.4
177.16408	10.0
185.13290	4.9
187.14815	16.3
189.16388	14.5
191.17946	8.1
199.14902	3.3
201.16386	9.4
203.17979	8.5
213.16396	6.0
215.17979	8.9
217.19604	7.5
227.17940	3.5
229.19556	10.6
231.21138	6.3
241.19597	4.6
243.21025	5.4
255.20958	3.3
257.22665	8.1
259.24310	3.1
271.24194	6.6
285.25836	5.4
297.25955	3.7
299.27448	5.8
327.30423	7.3
339.30371	5.6
409.38306	100.0
410.38519	4.0
413.62241	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64923	3.6
53.03952	4.9
55.05520	23.2
57.07056	4.8
67.05511	28.7
69.07074	34.4
71.49214	6.8
74.79313	4.1
79.05504	28.3
81.07064	56.4
83.08630	15.7
91.05492	21.1
93.07057	57.6
95.04967	7.1
95.08617	84.7
97.10181	4.2
105.06396	5.8
105.07034	58.1
107.08608	67.8
109.06551	4.6
109.10161	50.8
117.07012	7.7
119.08595	56.1
121.10167	57.9
123.08102	6.5
123.11687	15.5
128.06160	4.4
131.08609	20.3
133.10143	39.9
135.08046	5.1
135.11726	27.8
137.09641	4.7
137.13248	4.3
139.11162	5.9
143.08571	7.9
145.10120	32.0
147.11655	28.7
149.09561	4.3
149.13278	26.9
151.11160	5.1
157.10117	14.3
159.11720	21.5
161.13264	28.1
163.11159	9.5
163.14832	31.7
169.10110	6.7
171.11678	7.5
172.88225	5.1
173.13281	21.4
175.14822	29.2
177.16383	31.7
185.13344	8.7
187.14845	30.7
189.16367	42.8
191.18001	24.2
199.14844	11.3
201.16386	18.6
203.17960	47.7
205.15918	29.1
211.14693	4.7
213.16441	7.6
215.17921	13.3
217.19507	12.2
219.17514	21.4
221.15465	4.7
223.14981	4.7
225.16377	6.5
227.17966	4.8
229.19536	6.0
241.19611	5.8
243.21188	5.8
245.18944	4.4
267.21378	4.7
268.46860	4.4
322.33502	4.3
391.33612	24.6
409.26563	6.1
409.34787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
54.67584	1.4
55.01863	2.3
55.05514	21.6
57.03424	4.0
57.07072	4.4
64.47923	1.3
65.03944	2.3
67.05507	55.5
69.07070	23.2
69.42171	8.3
69.42577	2.3
71.04984	2.1
79.05494	33.1
81.03436	7.2
81.06593	2.9
81.07056	48.1
83.04972	6.4
83.08630	12.3
85.06536	1.9
85.67702	1.3
91.05481	26.6
93.07047	56.0
93.07635	2.8
95.04986	8.0
95.08611	81.9
97.06537	4.2
97.10162	7.8
98.20711	1.4
104.23528	1.5
105.07034	42.2
107.04952	1.9
107.08596	82.1
109.06541	3.0
109.10158	62.2
111.08070	3.7
111.11712	3.1
117.07014	5.9
119.08580	36.8
121.06523	4.3
121.10144	54.4
123.11738	14.2
125.09617	3.4
128.06233	1.7
129.07018	3.5
130.07826	2.1
131.08569	12.1
133.06543	2.5
133.10139	36.5
135.08049	8.2
135.11707	33.7
137.09619	3.4
143.08556	3.8
144.08119	1.7
145.10129	22.3
147.11696	25.6
149.09645	1.9
149.13263	37.8
150.31383	1.5
155.10698	2.5
157.10120	4.6
157.56313	1.7
158.10976	2.1
159.11707	13.1
160.12584	1.6
161.09651	2.3
161.13269	17.1
163.11197	17.5
163.14816	28.4
165.12854	1.9
169.10114	2.1
171.11674	4.1
172.12535	1.8
173.11887	2.9
173.13335	4.5
175.11183	3.1
175.14828	26.3
177.12813	5.0
177.16386	45.7
177.17863	3.2
181.12187	2.7
183.11752	2.5
185.13271	3.4
187.14821	20.6
189.12779	2.2
189.16412	18.9
191.17943	12.3
193.12213	3.4
197.13284	1.6
199.14812	2.0
201.16402	7.7
203.17975	100.0
204.18317	2.1
205.15877	63.1
205.19566	5.5
211.13240	2.7
213.16339	1.6
215.18002	3.6
217.15953	1.7
217.19583	4.3
219.17535	5.6
227.17905	1.8
229.19550	2.7
231.17500	5.5
233.18884	2.0
248.48003	1.7
252.15765	3.5
271.20624	1.9
313.25284	2.8
381.35031	4.7
391.33698	9.3
409.26340	20.8
409.34695	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
54.63131	1.2
55.05505	8.4
57.07054	2.7
64.82571	1.1
65.03950	1.7
67.05185	2.0
67.05511	22.3
69.02359	1.3
69.07072	16.5
69.93217	6.1
76.81123	1.4
79.05500	27.1
81.06602	1.9
81.07058	31.5
83.04964	2.0
83.08617	10.6
90.04577	1.5
91.05473	17.2
93.07045	35.0
95.04957	1.7
95.08612	85.4
97.10163	3.0
101.51754	1.2
105.07034	33.0
107.08601	100.0
108.08955	1.8
109.06460	2.1
109.10167	40.2
111.11706	2.0
117.07011	3.7
117.87273	1.5
119.08588	38.3
121.10148	53.7
123.11716	11.3
131.08548	7.4
133.10143	32.5
135.08034	9.9
135.11696	25.7
137.13261	2.9
143.08582	3.1
145.10143	21.5
147.11685	15.5
149.09633	2.5
149.13275	25.9
157.10107	4.2
159.11713	12.6
161.09645	3.9
161.13263	14.4
163.11189	13.0
163.14833	14.7
171.11696	3.6
173.13222	7.9
175.11215	3.8
175.13345	1.8
175.14830	29.0
177.12811	3.7
177.16402	45.0
183.11743	1.8
185.13229	4.9
187.14850	21.9
189.16397	15.8
191.17978	8.4
193.15887	1.5
197.13243	1.4
199.14847	2.7
201.16411	9.7
203.14378	2.8
203.17970	45.1
205.15891	95.7
206.16328	2.0
211.14897	2.0
213.16342	2.8
215.17871	6.7
217.16046	1.7
217.19524	2.7
219.17456	3.2
229.19493	2.7
231.17473	4.4
239.18059	3.2
241.19420	2.2
243.21027	2.2
245.19122	3.1
255.21072	2.3
257.22754	1.5
268.50922	1.5
285.25833	11.1
295.24188	17.5
313.25336	19.9
325.14581	1.3
339.26907	4.3
353.85214	1.4
381.35233	1.6
391.33466	5.3
409.34686	48.4
410.35040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.54306	1.6
55.05517	15.8
55.28332	1.7
57.07059	2.4
67.05511	26.8
69.07075	26.2
70.01173	4.8
70.01585	3.3
79.05072	2.3
79.05497	19.2
81.03324	1.4
81.07063	50.3
83.04997	2.4
83.08625	14.0
85.06512	1.3
89.90736	1.6
91.05491	23.1
93.07052	46.6
95.04959	5.8
95.08614	96.6
97.06568	2.4
97.10182	5.1
105.07040	52.6
107.08601	67.0
109.06504	2.8
109.10164	43.7
111.08116	3.5
111.11736	2.4
117.07026	4.3
119.08586	50.3
121.06517	4.6
121.10147	54.7
122.10484	2.0
123.08086	2.9
123.11709	16.0
125.09621	2.5
129.06993	2.8
130.07852	1.5
131.08577	12.7
133.10144	43.5
135.08095	5.7
135.11696	27.3
137.09645	3.2
137.13268	6.2
143.08585	7.3
145.10127	28.1
147.11694	32.2
149.09636	1.8
149.13271	30.4
151.11252	2.6
155.08534	2.5
157.10150	7.3
159.11720	16.8
161.09708	2.0
161.13281	19.9
163.11206	13.9
163.14842	29.8
165.12747	4.1
165.16490	1.8
169.10161	2.5
170.10989	1.8
171.11714	6.8
173.13310	15.2
175.11263	3.3
175.14847	27.6
177.12761	2.8
177.14867	1.7
177.16393	34.4
183.11746	2.2
185.13306	5.8
187.14848	30.4
189.12823	1.9
189.16391	64.2
191.17993	14.6
197.13255	1.7
199.14861	3.3
201.16362	13.1
203.14389	2.9
203.17969	55.1
205.15884	26.4
205.19521	2.6
207.11632	1.8
207.17360	2.7
209.45546	1.6
211.14838	2.4
213.16403	9.2
214.17084	1.6
215.17900	9.1
217.16017	2.4
217.19516	9.2
219.17471	7.3
221.15463	5.0
225.16447	4.7
227.17926	3.7
229.16026	1.6
229.19569	5.1
231.17455	6.1
231.21048	2.8
233.19098	3.3
239.17972	2.6
241.19580	4.0
243.21207	3.5
245.19098	3.7
253.19673	2.6
255.21152	5.5
257.19376	2.0
257.22635	3.4
259.20569	2.4
267.21112	4.1
271.20599	2.1
285.21909	2.1
313.25446	2.4
335.27173	2.6
365.32135	1.7
381.35233	3.6
391.33624	29.2
392.34167	2.7
409.34708	100.0
410.35025	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.6
57.07076	4.9
58.72939	2.9
59.52181	3.0
60.22556	3.2
65.60664	3.6
67.05511	33.3
69.07070	25.1
69.27064	16.6
69.27501	15.9
71.08648	3.8
79.05483	27.3
81.07059	69.5
83.04979	3.7
83.08622	12.6
83.37150	3.4
86.09676	3.8
91.05487	28.7
93.07050	59.6
95.04980	11.5
95.08617	93.3
97.06541	3.5
97.10186	6.6
105.07035	71.1
107.08601	86.6
109.10172	47.2
114.78043	3.1
117.07033	9.7
119.08591	68.5
119.09454	2.6
121.06525	4.4
121.10148	62.3
123.08074	8.1
123.11720	18.2
131.08612	23.8
133.10136	52.8
135.08049	6.0
135.11699	32.9
137.09657	6.7
137.13367	4.6
141.06946	4.2
143.08566	8.0
144.09306	4.0
145.10152	40.0
147.11703	42.1
149.09613	8.1
149.13258	38.6
151.07620	5.7
154.09865	3.3
155.08607	4.3
156.09410	4.2
157.10149	15.9
159.11722	31.4
161.09671	3.5
161.13298	18.6
163.11211	10.6
163.14818	35.0
165.09149	10.8
169.10100	4.8
171.11714	11.9
173.13278	20.5
175.11176	6.8
175.14809	26.3
177.16342	27.3
183.11658	4.9
185.13278	12.6
187.14812	35.3
189.12837	4.8
189.16393	66.8
191.14369	3.5
191.17963	12.9
197.13246	8.0
198.14171	3.5
199.14864	8.3
201.16434	14.9
203.14418	5.5
203.17982	47.1
205.15923	25.1
207.17514	4.6
211.14857	3.7
213.16411	11.4
215.17981	13.3
217.19586	11.0
219.17514	7.1
221.15381	13.3
225.16432	4.2
227.17851	6.8
229.19525	6.2
239.17969	5.6
241.19560	31.9
243.21037	6.2
253.19456	7.1
255.21143	13.0
257.22592	5.3
267.21036	6.8
269.22620	5.1
381.35126	3.8
391.33612	43.1
405.04037	3.3
409.26715	6.5
409.34698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11951	2.1
53.03969	2.3
55.05517	16.6
57.07075	5.4
62.80004	2.5
63.01734	1.9
67.05508	25.3
69.07079	32.7
70.91786	2.1
75.65796	2.2
79.05500	21.1
81.07065	55.3
83.08624	14.3
90.11046	1.9
91.05482	23.8
93.07059	49.2
95.08617	100.0
95.86140	2.3
97.10170	5.5
105.07045	53.0
107.08609	73.9
109.09483	3.2
109.10168	44.2
111.08075	2.6
117.07071	3.7
119.08598	50.0
121.10155	62.2
123.08058	3.3
123.11713	19.6
129.06949	2.6
131.08592	17.4
133.10149	54.2
135.08044	3.0
135.11714	27.5
137.13217	6.1
143.08612	5.0
143.38205	2.0
145.10138	24.8
147.11705	32.0
149.09653	4.8
149.13263	35.8
157.10133	7.4
159.11760	19.1
161.09720	3.2
161.13284	20.5
163.11201	14.6
163.14827	37.8
169.13931	2.1
171.11674	6.4
173.13292	13.0
175.11201	3.3
175.14833	31.8
177.12744	7.8
177.16391	36.7
183.11719	4.6
185.13284	4.7
187.14859	42.6
189.14827	2.1
189.16391	68.0
191.17950	16.1
199.14792	6.1
201.16382	13.2
203.17973	69.8
204.14876	2.3
205.15894	38.2
205.19495	4.1
207.17384	3.2
211.14851	3.7
213.16373	9.9
215.17967	10.1
217.15971	3.2
217.19585	11.7
219.17448	5.8
225.16368	4.0
227.17963	6.1
229.19533	6.4
231.17416	8.1
233.19107	4.7
239.17854	2.6
241.19473	3.8
243.21078	3.3
247.63034	2.8
253.19737	3.5
255.21115	5.3
267.21094	5.1
269.22598	3.1
317.02841	2.1
317.08136	2.2
335.27429	2.7
381.35291	3.9
391.33606	45.2
392.33167	2.3
409.34665	90.8
410.35089	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05519	10.6
57.07066	5.2
59.04992	1.5
67.05508	17.5
69.07072	20.1
69.80782	5.5
79.05492	15.8
81.03406	2.3
81.07057	33.5
83.04965	1.9
83.08617	8.0
91.05480	19.9
93.07044	36.4
95.04977	5.7
95.08611	55.1
97.10172	4.7
105.07035	32.4
107.08601	57.5
109.06493	2.7
109.10161	31.0
111.08087	3.6
113.72659	1.3
115.05430	2.6
117.07022	5.5
119.08585	34.5
121.06504	2.8
121.10146	37.7
123.08070	3.2
123.11715	19.1
129.07028	4.4
131.08545	13.0
133.06454	1.4
133.10141	23.1
135.08069	3.0
135.11703	28.1
137.09634	2.3
137.13274	7.2
139.11176	2.4
140.90016	1.7
143.08574	10.0
145.10136	20.5
147.07986	1.4
147.11693	17.3
149.13268	50.6
151.07594	1.9
151.14775	1.6
153.12764	3.3
155.08543	2.9
157.10144	8.0
158.10918	1.8
159.11687	16.8
161.09610	1.9
161.13316	10.1
163.11188	2.0
163.14825	26.2
165.09119	3.8
165.12822	1.8
165.16344	2.5
169.10109	3.2
171.11696	8.2
173.13269	12.1
175.11217	3.7
175.14812	26.6
177.16394	17.0
183.11713	4.0
185.13286	4.3
187.14816	16.5
189.12753	2.1
189.16394	19.5
191.17938	7.8
193.15894	3.6
197.13229	3.6
199.14900	7.5
201.16368	12.5
203.17944	25.0
205.15898	16.8
205.19539	2.2
207.17477	2.5
211.14873	2.9
213.16393	17.0
214.17116	1.9
215.17970	24.3
217.19579	4.0
219.17453	5.7
221.15361	6.9
225.16467	2.5
227.18025	7.8
228.18701	2.5
229.19485	6.6
231.17535	2.8
233.18936	1.4
239.17932	3.8
241.19576	13.6
243.21045	11.3
253.19548	5.7
255.21088	20.5
257.22711	2.3
259.20615	2.8
261.22256	1.7
267.10776	1.6
267.21130	6.3
269.22824	5.2
271.20364	1.6
281.22766	1.9
285.22305	1.8
295.24454	1.9
339.26926	2.5
391.33676	13.7
409.34683	100.0
410.35184	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05514	9.2
55.64146	1.0
57.07066	1.8
60.75784	0.9
62.92707	1.0
65.03932	1.8
67.05180	1.7
67.05511	22.3
69.07066	14.7
70.84823	2.4
79.05496	27.7
81.07063	27.2
83.04994	2.0
83.08611	8.3
91.05486	14.3
93.06483	2.1
93.07045	30.2
95.08611	75.7
96.68838	1.1
97.06531	1.5
97.10181	2.3
105.07027	25.1
107.08599	100.0
108.08952	1.9
109.10163	31.9
117.07026	2.5
119.08582	28.3
119.09378	2.0
120.58308	1.1
121.06555	1.8
121.10152	44.1
123.08031	1.4
123.11708	8.9
128.55405	1.0
129.06953	1.2
130.07701	1.0
131.08601	7.3
133.07478	1.0
133.10127	24.5
135.08054	4.7
135.11699	18.3
137.09663	1.8
137.13286	2.6
143.08548	3.5
145.10130	18.7
147.11700	18.1
148.25864	1.1
149.09624	1.5
149.13272	21.1
157.10146	3.7
159.11702	11.4
161.09654	2.6
161.13271	10.3
163.11194	13.8
163.14825	12.3
169.10196	1.6
171.11714	2.9
173.13298	6.8
174.13959	1.2
175.11191	3.2
175.14844	27.6
177.12750	3.2
177.16405	40.8
179.14285	1.1
185.13310	3.1
187.14827	19.9
189.12822	2.3
189.16396	12.4
191.17932	8.0
199.14812	2.8
201.16409	7.8
203.14304	2.9
203.17970	37.2
203.81429	1.1
204.18443	1.4
205.15881	75.1
206.16269	2.7
207.17360	1.5
211.14854	1.4
213.16386	2.9
215.17967	5.8
217.15953	1.7
217.19514	1.9
219.17462	3.8
225.16341	1.7
227.17880	2.2
229.19560	2.0
231.17462	2.4
231.21077	1.4
233.19107	2.0
239.17944	1.4
241.19522	2.4
243.21053	1.8
245.19092	1.9
255.21156	3.8
258.32697	1.1
267.21103	1.2
269.22662	1.5
271.20667	1.9
285.25723	11.4
295.24191	16.2
313.25250	19.4
314.25443	1.2
330.77658	1.1
339.26877	3.7
367.89056	1.1
381.35202	1.4
384.69308	1.2
391.33673	6.3
409.34680	41.6
410.35123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
55.05514	14.8
57.07079	3.1
67.05512	26.7
68.80338	1.5
69.07068	20.9
69.23906	15.1
69.69675	1.6
71.69775	1.5
77.03946	1.9
79.05498	25.7
81.06592	3.6
81.07062	60.9
83.08642	10.7
91.05491	22.5
93.07047	53.4
95.08614	100.0
95.29353	1.7
97.06538	3.2
97.10172	5.8
103.05491	1.8
105.07040	50.8
107.08604	70.6
107.72320	1.9
109.06525	3.5
109.10164	45.9
111.08065	10.1
111.11741	3.1
117.07040	6.7
119.08588	45.2
121.10157	47.4
123.08085	1.9
123.11721	12.2
129.07039	3.2
131.08563	16.7
133.10146	39.6
135.08118	1.9
135.11703	29.2
137.09634	2.3
137.13269	5.2
139.11201	3.3
143.08577	9.3
144.09315	1.9
145.10135	28.9
147.11696	37.9
149.13266	41.2
151.11176	3.5
157.10120	8.9
159.11711	26.7
161.13281	24.1
163.11226	3.1
163.14835	23.3
165.12697	2.4
166.21889	2.4
171.11743	6.7
173.13280	14.5
175.11235	3.3
175.14851	30.2
177.16406	31.1
185.13232	5.6
187.14832	33.8
189.16400	27.8
191.14453	1.9
191.17950	13.9
197.13211	2.5
199.14844	7.8
199.73888	1.7
201.16368	11.3
203.14290	2.8
203.17978	42.4
205.15892	20.8
205.19557	6.8
207.17447	2.0
213.16350	12.1
215.17975	11.1
217.15929	3.9
217.19553	6.2
219.17578	3.4
225.16373	2.7
227.17992	4.2
229.19609	6.0
231.17426	6.4
231.21126	2.1
239.17906	2.2
241.19579	10.1
243.21207	4.4
245.19044	3.6
253.19463	3.9
255.21063	10.0
257.22672	2.2
267.21063	3.2
269.22861	2.7
281.22650	2.1
285.22272	2.5
313.25211	3.0
339.26764	2.2
351.30457	7.4
381.57022	2.0
391.33432	9.5
409.34686	93.4
410.35065	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22132	1.5
52.92447	1.5
53.03938	1.9
54.30344	1.4
55.05510	10.4
57.07062	1.9
66.91985	1.3
67.05509	14.0
69.07075	19.1
69.23830	13.0
71.92049	1.3
79.05505	14.9
81.06599	1.9
81.07057	34.1
83.04953	2.1
83.08627	9.0
90.16191	1.6
90.35250	1.6
90.84994	1.5
91.05476	13.7
93.06494	2.3
93.07048	35.2
95.08614	68.1
97.10168	4.4
102.11603	1.5
105.07043	31.6
106.32239	1.7
107.08598	63.4
109.06561	1.6
109.10161	36.2
117.06994	3.9
119.08588	36.1
121.10145	53.2
123.11746	10.5
129.56378	1.6
131.08537	6.9
133.10130	32.0
135.08025	5.0
135.11687	18.9
137.13254	2.7
145.10117	15.4
147.11705	22.2
149.09607	2.0
149.13266	45.6
157.10182	2.7
159.11713	10.3
161.09599	2.5
161.13260	15.0
163.11172	16.6
163.14828	30.8
164.33427	1.8
171.11746	2.7
173.13280	6.0
175.11185	4.0
175.14827	26.6
177.12770	4.3
177.16376	43.6
177.17853	2.7
187.14804	18.9
189.16391	20.5
191.17903	9.4
201.16347	6.9
203.17958	100.0
204.18248	2.9
205.15881	56.5
205.19525	6.1
213.16440	1.9
215.17868	2.8
217.19572	3.1
219.17450	6.5
231.17438	3.9
245.19127	1.7
255.21016	1.8
381.35260	3.9
391.33688	8.3
409.34662	74.7
410.34946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.2
55.01868	17.4
55.05505	49.2
57.07076	65.1
59.73107	5.6
63.00058	6.5
67.05498	24.5
69.07066	100.0
69.53231	46.6
71.08627	43.6
79.05485	16.3
81.07060	57.6
83.08620	69.4
84.92469	6.2
85.10176	25.7
86.09707	20.1
88.14707	6.2
89.06017	9.5
91.05476	22.7
93.07020	31.3
95.04995	6.4
95.08618	59.8
97.10144	41.1
99.04459	8.2
105.07008	20.3
107.08577	36.0
109.02902	7.5
109.06481	9.5
109.10150	45.6
111.11723	38.7
119.08556	21.0
121.06519	11.3
121.10142	21.9
123.08038	11.7
123.11681	14.8
125.02361	46.9
125.13218	10.2
127.03898	43.9
131.08566	25.1
133.10136	20.9
135.08046	10.0
135.11710	13.1
137.09549	7.3
137.13290	7.8
137.56596	6.1
139.03871	7.7
139.07513	13.6
145.10080	18.6
147.11641	8.9
149.09590	21.7
149.13254	12.9
152.93207	6.1
157.10167	9.7
159.11668	12.0
161.13210	10.5
163.14844	9.1
165.09117	9.4
167.07111	10.9
169.08595	21.5
173.13245	13.0
175.14877	13.9
177.09105	30.1
179.10669	11.0
180.10945	8.0
183.10252	13.7
187.14796	8.8
195.10228	33.2
201.16359	8.7
203.17850	7.5
205.15839	8.9
213.16364	7.3
218.32877	7.6
239.16426	9.3
251.16510	11.0
253.17654	6.8
264.04938	7.3
331.29968	10.4
345.31351	10.9
355.30182	14.1
373.31000	39.0
391.32040	95.7
409.34732	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03936	6.1
55.05516	22.5
56.45711	1.4
57.03414	2.3
57.07061	8.0
59.05004	4.4
64.18473	1.7
64.94917	1.7
65.03941	2.9
67.05169	3.0
67.05501	26.8
69.03420	5.9
69.06801	1.6
69.07080	16.8
69.70425	1.6
71.49968	2.8
79.05495	31.1
81.07059	48.9
83.04974	6.0
83.08607	6.5
85.06530	4.2
91.05480	38.2
92.61911	1.9
93.07050	56.1
93.07643	3.0
95.04974	36.7
95.08614	62.2
97.06521	9.1
97.10173	2.8
103.05474	3.9
105.04536	2.3
105.07036	100.0
106.07350	3.2
107.04978	2.8
107.08594	51.4
109.06554	9.4
109.10154	30.8
111.08088	4.1
115.05474	4.0
117.07018	13.2
119.04919	2.2
119.08587	73.7
121.06526	16.0
121.10149	32.2
121.11501	2.2
123.08072	18.7
123.11707	6.0
128.06198	4.9
129.07039	9.6
130.07730	3.8
131.08560	22.6
133.06480	5.5
133.10129	29.2
135.08052	14.1
135.11714	16.2
136.08626	1.7
137.09624	9.4
137.13211	3.0
141.06978	3.7
142.07791	13.6
143.08586	16.6
144.09355	3.2
145.06424	2.1
145.10118	41.8
146.10796	2.7
147.08028	15.1
147.11690	41.9
147.94412	1.8
149.09627	12.6
149.13278	13.3
151.07571	16.0
151.11272	2.2
153.07021	2.0
153.09013	2.0
154.07803	2.1
155.08556	9.0
156.09390	4.3
157.10132	21.4
159.08035	5.5
159.11688	16.9
161.09633	6.5
161.13263	11.8
163.11212	8.6
163.14819	10.5
165.06985	2.1
165.09134	32.7
167.08560	2.6
168.09367	2.9
169.10109	10.0
171.11685	10.6
173.09619	5.5
173.13274	12.3
175.11177	22.4
175.14821	11.8
177.09143	6.0
177.12688	3.1
177.16399	13.1
179.14305	1.8
181.10139	2.1
182.50197	1.8
183.11685	7.4
185.13243	6.8
187.11154	3.0
187.14819	12.5
189.12695	4.1
189.16399	10.8
191.14249	2.8
191.17897	3.5
193.10130	2.7
195.11752	4.7
197.13277	3.9
199.11124	2.1
199.14729	3.5
201.12711	6.1
201.16432	7.9
203.14302	11.8
203.17972	9.8
205.15843	10.9
207.13802	5.8
209.13376	2.6
211.14828	7.6
213.12779	2.4
213.16426	5.0
215.17873	3.2
217.19377	3.4
219.13847	2.6
219.17442	3.6
220.12698	1.9
221.15378	60.8
225.12830	1.7
225.16437	2.4
229.15915	5.2
231.13857	3.4
231.17444	2.5
234.16188	13.0
239.17937	2.7
241.15771	2.4
241.19548	4.5
243.21046	2.7
255.21091	3.5
257.22897	3.3
269.19168	2.1
269.22662	2.6
271.16965	1.7
285.22256	1.8
286.19324	2.5
287.20123	4.5
295.23975	3.1
300.20825	3.8
313.25348	4.7
329.21112	3.9
391.25937	3.0
391.33591	7.6
409.27252	26.6
409.34595	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01882	1.7
55.05511	18.6
57.07065	5.9
58.65926	1.3
59.04988	3.4
65.03931	2.4
67.05506	18.5
67.58330	1.4
69.03420	6.7
69.07068	10.3
69.90352	7.8
71.04996	1.5
79.05496	20.2
81.03395	2.0
81.06600	2.2
81.07059	33.4
83.04979	4.7
83.08608	3.0
83.10432	1.3
85.06540	2.0
91.05487	38.2
93.07047	45.0
94.02473	1.4
95.04970	39.7
95.08610	34.5
97.06536	6.8
103.05465	2.7
105.07035	100.0
107.04974	2.3
107.08598	31.1
109.06545	11.4
109.10144	13.0
111.08047	2.1
115.05422	3.2
116.06223	1.6
117.06999	14.8
119.08587	61.8
121.06506	17.0
121.10157	19.8
122.07284	2.0
123.08071	16.9
123.11725	3.3
128.06210	4.1
129.06990	7.9
130.07784	5.4
131.08553	22.0
132.09335	2.5
133.06419	4.0
133.10135	18.9
135.08060	13.8
135.11710	7.0
137.06000	3.5
137.09578	7.3
141.07008	4.2
142.07779	10.8
143.08585	14.6
144.09286	3.7
145.09067	2.7
145.10123	36.3
147.08080	15.5
147.11687	42.7
149.09642	12.9
149.13260	3.4
151.07542	22.0
151.11212	1.7
153.09097	2.2
154.07808	1.8
155.08549	6.4
156.09346	4.7
157.10136	19.0
159.08084	6.5
159.11690	15.2
161.09538	7.9
161.13254	5.3
163.11157	4.6
163.14807	2.7
165.09120	30.5
165.12749	2.5
168.09311	4.7
169.10147	8.7
170.10861	1.7
171.11757	9.3
173.09604	4.5
173.13298	7.6
175.11188	30.2
175.14713	3.1
177.09126	2.7
177.16386	3.1
178.09872	2.5
181.10098	4.1
181.12242	2.5
183.11696	10.5
185.13275	4.5
187.11221	4.3
187.14844	6.3
189.12724	3.9
189.16356	4.1
191.14313	1.9
191.17934	1.7
195.11670	2.6
197.13304	2.6
199.11212	1.9
199.14796	3.4
201.12724	11.0
201.16411	3.3
203.14333	12.2
203.17958	5.9
205.15918	3.5
207.11874	1.6
207.13780	5.4
209.15292	2.5
211.11099	1.7
211.14792	3.6
213.12639	1.9
213.16423	2.0
215.14334	3.2
216.15300	1.9
219.13821	7.3
221.15369	56.7
222.15775	1.6
229.15842	5.3
231.13852	3.2
231.57420	1.5
233.15280	3.0
234.16147	16.9
239.14497	1.7
253.15973	2.7
274.72443	1.7
286.19373	3.8
287.20047	6.6
300.20792	5.0
329.21048	4.3
391.26276	4.1
391.33609	3.2
409.27344	38.8
409.34607	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	409.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84398	0.7
55.05503	1.7
87.54343	0.6
116.01675	0.9
117.02005	0.6
162.02223	2.5
197.07089	0.9
199.08694	2.9
200.09398	0.9
211.08617	3.9
212.09457	1.1
213.10248	2.6
215.11879	1.2
217.09865	1.9
223.12331	1.1
225.06709	1.1
225.10179	4.1
226.11073	1.2
227.08113	1.0
228.91061	0.7
229.09770	2.1
230.78709	0.7
239.08159	6.8
239.11755	4.1
240.08968	2.1
241.09738	5.6
242.10547	2.0
243.07611	1.3
243.11292	7.4
251.11951	0.7
252.08997	0.9
253.09767	6.2
254.10500	1.2
257.09213	1.9
257.12973	1.5
258.10083	1.2
259.10901	2.7
262.11176	1.1
263.11414	0.8
267.07693	2.2
267.11322	4.5
268.08435	6.1
269.09439	1.2
269.12772	1.6
271.10782	26.1
273.12405	1.9
275.10217	2.2
277.11853	3.0
281.09183	1.8
285.08731	2.1
285.12311	5.2
289.11841	1.9
295.10913	4.8
299.10464	1.1
300.11105	1.9
303.13327	1.8
313.11807	7.2
317.11423	2.8
318.11880	1.1
323.10321	9.6
327.13498	1.9
335.12521	2.9
341.11313	15.6
345.14545	2.4
349.13791	1.2
355.12872	3.6
359.12384	2.5
373.14044	13.8
391.15024	22.1
392.15567	0.9
409.16077	100.0
410.16412	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
54.81067	2.2
55.01868	3.4
55.05517	21.4
57.07068	7.6
59.04979	2.7
60.39390	2.3
62.51381	2.2
67.05510	24.5
69.03425	6.2
69.07069	16.2
69.42529	5.5
69.42937	12.0
77.52294	2.2
79.05507	27.7
81.03401	3.0
81.07056	42.4
83.04977	6.7
83.08623	5.5
85.06539	4.8
91.05488	42.6
93.07052	56.4
95.04975	44.4
95.08618	50.2
97.06526	8.8
103.05521	2.9
105.07038	100.0
107.04959	3.6
107.08607	43.5
109.06515	9.3
109.10165	27.1
111.08135	3.4
115.05448	3.0
117.07033	16.9
119.05043	3.3
119.08598	78.3
121.06531	14.4
121.10152	31.4
123.08092	17.8
123.11720	7.3
128.06226	6.0
129.07007	7.9
130.07802	5.0
131.08569	25.5
133.06532	5.4
133.10135	28.7
135.08064	15.9
135.11679	12.2
137.09644	10.5
137.13257	2.7
141.07019	4.0
142.07776	12.5
143.08551	13.0
144.09335	4.0
145.10141	35.4
147.08051	20.2
147.11691	49.7
149.09631	12.3
149.13237	19.5
151.07578	14.9
153.09055	3.6
155.08600	7.0
156.09363	4.2
157.10158	19.9
159.08060	6.9
159.11722	20.7
161.09660	10.1
161.13280	10.3
163.11200	5.8
163.14816	9.2
165.09143	34.8
168.09320	6.3
169.10136	11.5
171.11717	8.5
173.09660	3.4
173.13326	12.9
175.11189	26.7
175.14774	13.8
177.16405	8.8
179.08589	2.4
181.10127	4.5
182.10976	3.1
183.11732	10.5
185.13266	7.6
187.11246	4.5
187.14832	7.4
189.12799	4.4
189.16330	10.8
191.14351	2.8
191.17944	2.9
197.13252	3.4
199.11208	3.4
199.14873	2.9
201.12695	10.9
201.16379	8.0
203.14363	10.4
203.17932	8.4
205.15894	6.0
207.11795	2.8
207.13766	5.8
209.13307	3.7
209.15311	3.7
211.14883	5.1
212.15620	2.9
213.12929	3.0
213.16364	5.2
215.14435	3.4
215.17960	8.6
219.13765	6.0
221.15361	60.2
227.18021	3.8
229.15883	5.1
229.19756	3.0
231.13745	3.1
233.15430	3.0
234.16150	18.8
241.19536	4.8
243.21117	3.5
255.21117	7.2
286.19220	4.4
287.20096	6.9
300.20840	4.9
313.25076	2.5
329.21109	3.6
391.26450	5.5
391.33640	8.0
404.60065	2.8
409.27267	33.9
409.34668	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
70.03260	0.7
70.74028	1.8
80.85020	0.7
81.03404	0.7
85.02888	2.7
91.05486	1.0
93.07068	1.0
107.04974	1.3
121.06504	1.1
123.04430	2.4
124.05190	1.5
131.96190	0.9
133.06450	1.1
149.05978	1.8
151.03883	3.4
152.04643	1.3
163.03851	0.9
167.07040	100.0
168.07372	1.2
179.06960	0.8
181.08566	1.7
193.08626	4.6
211.06143	1.7
211.09625	13.8
229.10716	8.7
233.99281	3.8
251.98254	1.2
302.05560	2.2
409.15994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
59.38734	2.2
65.59261	1.9
69.03400	2.1
69.65288	4.6
69.65699	6.3
70.06597	3.6
72.08174	2.0
77.73999	2.2
78.61843	1.6
79.05511	2.5
85.02901	3.6
88.23074	1.8
93.07064	1.9
97.02887	2.5
105.07026	3.0
120.08101	5.1
132.34265	2.1
137.06013	3.4
137.42226	1.7
144.08073	2.3
161.07144	2.3
165.09135	2.5
185.07133	3.5
187.05023	21.6
187.08681	2.8
196.07587	2.4
197.07071	2.3
201.06554	9.4
202.07289	2.7
211.05055	5.5
211.08698	8.1
212.09242	2.3
213.10239	3.2
215.08202	14.9
217.06279	2.2
217.09717	2.6
225.06633	7.4
226.07422	5.0
227.08095	2.3
229.06146	12.4
230.06834	4.1
233.09258	4.5
239.08134	16.7
240.08850	2.3
241.06061	3.9
241.09683	5.7
243.07639	36.2
244.08524	2.1
245.05728	2.0
245.09242	3.3
253.06107	7.0
254.06921	3.1
257.05640	1.8
257.09253	16.7
258.06525	2.6
259.07166	3.4
259.28714	2.0
261.08722	15.8
267.07693	17.2
269.09351	8.0
271.07132	26.8
273.08658	5.0
285.05524	3.4
285.08694	65.3
286.09253	3.5
287.10284	3.7
289.08243	38.8
295.07135	8.7
297.08713	11.9
303.09760	20.9
307.09241	10.2
313.08182	79.2
314.08572	3.0
315.09756	20.5
317.07672	3.3
331.09265	100.0
332.09674	2.1
333.10852	16.6
341.07651	7.8
341.11301	2.5
349.10318	89.8
350.10587	2.8
359.08719	28.2
367.11319	16.0
373.10266	2.6
377.09854	34.6
391.11307	36.2
391.15869	2.9
409.12289	43.2
409.18170	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67177	4.8
60.74448	4.6
95.04956	28.4
109.53787	5.0
123.04404	7.2
133.42004	5.1
135.21902	5.5
147.96970	4.5
151.03909	100.0
152.29147	5.2
153.32886	5.3
193.04897	10.8
211.06013	31.1
239.05280	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	408.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
57.20713	0.2
69.03428	0.3
69.07056	0.2
69.94290	0.7
69.94701	0.4
79.05482	0.4
81.03421	0.3
81.07073	0.2
85.02919	0.5
91.05496	0.4
94.06590	0.3
97.02860	0.2
105.06992	0.2
107.04955	0.4
108.08100	0.4
115.05419	0.3
117.06989	0.3
123.04453	1.3
124.07652	0.4
129.07018	0.2
130.06549	0.3
131.04909	0.2
134.09610	0.3
138.09180	0.2
144.08113	2.3
145.10106	0.6
154.06506	0.3
155.08493	0.4
156.08147	0.6
158.09712	0.3
160.07547	0.2
167.07207	0.3
171.09152	0.4
172.07555	0.5
172.11255	0.5
173.09624	0.5
176.10759	0.2
182.06010	0.3
182.09688	0.3
183.08075	0.3
185.08450	0.3
189.07855	1.7
190.08595	0.3
190.12384	0.3
198.09351	0.3
199.06273	0.2
200.07091	0.8
200.10696	2.0
201.09138	0.5
203.09480	0.4
213.07809	0.4
214.08559	0.3
216.06660	0.5
217.07361	0.7
218.08110	1.9
218.11688	0.4
221.10779	0.8
228.10207	1.3
229.08626	0.6
230.08156	0.3
231.08934	1.4
235.12297	0.2
244.09612	0.2
246.11281	100.0
247.11646	1.7
251.15450	4.0
265.17004	0.2
300.39215	0.3
362.14346	0.2
391.21494	0.3
408.16260	1.4
408.24371	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	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05512	18.1
56.48439	1.6
57.07081	15.1
59.26221	2.0
60.13622	1.7
67.05505	31.1
69.03423	2.6
69.07070	53.2
71.08640	5.8
71.15144	3.8
72.89259	1.5
79.05495	19.6
81.07055	72.1
81.07536	3.8
83.08620	19.4
85.10190	4.9
89.06052	6.6
91.05474	12.9
93.07047	26.3
95.04997	3.0
95.08609	59.3
97.10170	8.9
105.07031	32.6
107.08598	46.7
109.10157	45.1
111.11740	4.2
111.71054	2.0
115.05429	2.0
117.07039	6.7
119.08584	35.5
121.10149	28.6
122.41643	1.8
123.04473	3.9
123.11699	27.0
129.07024	3.0
131.08524	12.3
133.08617	3.4
133.10130	28.4
135.11687	24.6
137.13228	13.9
141.05446	2.2
142.07808	4.0
143.08575	9.7
144.09399	2.5
145.10127	23.1
147.11694	27.3
149.13252	16.7
151.07524	2.3
151.11172	1.9
151.14847	2.3
155.08446	1.7
155.51831	1.8
157.10106	10.3
159.11696	25.1
161.09685	2.4
161.13261	16.3
163.14861	9.1
169.10138	2.7
171.11678	11.9
173.13251	17.3
173.16997	1.9
175.14851	13.7
177.16447	7.6
179.10672	13.4
183.11739	2.2
185.13255	15.8
186.14040	2.0
187.14827	15.6
189.16347	10.1
191.18031	6.0
197.13350	4.3
199.14815	8.8
201.16383	10.7
203.18018	7.3
211.14845	3.4
213.16377	11.5
215.17961	9.0
217.19629	3.2
225.16473	2.8
227.17940	9.1
229.19565	6.7
231.21027	4.1
239.15349	1.7
241.19524	2.6
243.21120	4.0
253.19615	3.6
255.21217	6.4
257.22708	6.1
269.22763	7.8
283.24380	7.7
285.25690	2.5
297.25903	4.0
323.27582	2.8
325.29050	5.2
337.29001	4.0
351.30652	5.4
365.32150	4.7
389.34201	14.4
407.36725	100.0
408.37137	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03946	4.4
55.05516	18.5
57.07081	14.6
67.05512	25.8
69.03436	3.8
69.07072	54.0
71.08615	4.6
75.86847	1.9
79.05488	12.8
81.07063	71.0
81.07540	4.6
83.08625	17.5
85.10197	3.1
86.59667	1.7
89.06031	6.0
89.61663	2.0
91.05484	16.5
93.07053	27.8
95.04974	3.9
95.08614	62.6
97.10179	8.2
105.07036	34.6
107.08604	44.5
109.10161	47.8
111.11716	6.6
117.07034	4.6
119.08598	33.9
121.06541	2.9
121.10152	31.6
121.23703	1.9
123.04478	2.9
123.11713	25.8
125.05998	4.0
128.06284	2.8
129.07025	4.2
131.08582	15.5
133.08609	3.6
133.10144	32.8
135.11691	24.7
137.13283	13.2
142.07837	2.3
143.08604	8.3
145.10155	21.1
147.11690	26.5
149.13264	18.1
151.14891	2.5
156.09363	2.2
156.96422	1.8
157.10158	12.9
159.11678	20.3
161.09689	2.9
161.13254	12.3
163.14874	8.0
165.12828	2.0
169.10207	3.2
170.10945	2.9
171.11700	14.2
173.13277	14.0
175.14825	12.0
177.16379	6.9
179.10681	11.5
183.11711	3.9
185.13263	14.1
187.14847	11.3
189.16382	11.0
191.17998	4.8
195.90724	2.1
197.13283	3.5
199.14838	7.6
201.16406	13.3
203.17992	8.2
205.19560	2.0
211.14900	2.7
213.16351	10.9
215.17982	8.6
217.19562	3.3
225.16597	2.1
227.17918	10.9
228.93748	2.1
229.19545	5.5
241.19583	5.9
243.21127	4.1
253.19730	3.9
255.21136	6.7
257.22763	6.3
267.20865	2.5
269.22675	6.5
271.24051	3.3
283.24329	5.5
297.25769	4.4
305.48639	2.0
309.25735	2.6
311.27435	2.5
323.27478	3.5
325.29062	5.7
351.30359	4.8
360.20551	2.1
365.32132	3.6
389.34015	7.6
407.36749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.71608	2.8
54.49344	2.5
55.05514	17.1
57.07066	11.7
62.10391	2.7
67.05511	20.1
69.07072	48.2
69.24569	24.8
79.05488	14.8
81.06597	4.5
81.07061	83.3
83.08630	19.8
89.06033	3.7
91.05472	14.1
91.05951	2.7
93.07046	26.8
95.08612	59.9
97.10160	8.0
100.88453	2.7
105.07034	28.1
106.24371	3.2
107.08598	29.6
109.10157	48.6
111.11732	5.9
117.07001	4.4
119.08573	29.9
121.10143	34.6
123.11717	26.9
129.06982	3.5
131.08557	14.4
133.10130	21.1
135.11684	24.3
137.13243	13.2
139.68138	2.7
139.97978	2.7
143.08582	10.0
145.10146	22.7
147.11697	20.1
149.13283	17.1
151.14789	4.0
157.10114	15.9
158.10913	3.1
159.11700	27.7
161.13237	16.1
163.14833	9.5
169.10165	3.5
171.11652	13.4
173.13214	19.4
175.14832	12.4
177.16463	5.4
183.11729	4.4
185.13342	8.6
187.14795	20.0
189.16351	7.8
191.17969	5.1
197.13315	3.4
199.14752	7.4
201.16344	17.5
203.17967	11.2
206.55148	2.9
211.14798	3.7
213.16371	8.4
215.17949	9.8
217.19583	4.2
225.16446	4.3
227.17987	12.2
228.18701	3.0
229.19543	13.6
241.19496	5.9
243.21194	4.7
253.19640	2.6
255.21156	8.6
257.22665	6.0
262.96454	2.9
269.22736	6.3
271.24298	2.9
283.24063	6.6
287.26614	3.5
297.25760	5.7
309.25821	3.4
311.27182	2.9
316.53583	2.7
323.27347	3.2
325.28754	4.6
337.29037	3.3
339.30695	2.8
351.30386	5.0
407.36768	100.0
408.37137	4.9
415.23950	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	407.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.05510	19.0
57.07075	7.1
57.49265	2.9
61.78077	2.6
67.05511	23.4
69.07076	48.7
69.79091	10.8
70.19769	2.6
71.08614	3.1
78.49300	2.5
79.05494	19.6
81.06598	5.1
81.07065	100.0
83.08632	16.8
89.06012	2.8
91.05505	13.7
93.07047	33.9
95.08616	71.6
97.10168	8.3
98.21412	4.2
105.07042	36.8
107.08603	44.8
109.10166	50.3
111.11746	3.1
117.07029	4.6
119.08579	36.8
121.10162	37.7
123.11715	25.5
125.19613	2.5
129.06970	3.5
131.08641	13.0
133.10147	24.2
135.11700	24.3
137.13249	10.9
143.08591	8.6
144.09418	2.8
145.10155	23.8
147.11705	28.4
149.13257	18.5
157.10123	14.4
159.11714	36.6
161.13283	19.6
163.14859	13.9
171.11720	9.6
173.13275	21.2
175.14821	12.1
177.16409	8.6
183.11670	4.9
185.13321	7.7
187.14828	15.6
189.16338	11.8
191.17885	4.8
197.13345	4.3
199.14816	4.2
201.16396	12.3
203.17969	10.2
205.19572	3.5
211.14925	5.6
213.10789	2.5
213.16377	8.4
215.17975	12.8
217.19531	6.1
225.16428	3.3
227.17889	9.3
229.19539	9.7
241.19659	5.9
243.21056	4.3
255.21065	6.1
257.22650	7.5
269.22656	6.5
271.24191	5.0
281.22519	3.0
283.24197	6.8
295.24478	3.9
297.25870	3.2
322.43842	2.8
323.27493	3.7
325.28909	6.3
337.28882	3.4
338.29587	3.1
351.30551	5.4
365.63373	2.5
406.24338	2.8
407.36752	92.3
408.37149	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	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	51.8
57.07079	59.8
67.05511	33.0
68.58212	2.8
69.03417	3.3
69.07072	100.0
71.08639	38.9
71.50278	3.8
74.34455	3.1
75.13221	3.6
75.54031	3.2
77.55677	3.1
77.67657	2.9
79.05495	29.6
81.06590	5.5
81.07063	91.0
83.01338	7.5
83.08618	56.6
85.10199	19.5
89.06048	8.4
91.05476	12.5
92.30099	3.5
93.07049	36.9
95.04983	5.4
95.08616	97.8
97.06506	10.3
97.10175	34.6
99.04448	10.1
104.59742	3.4
105.07029	29.7
107.04938	4.5
107.08604	49.9
109.06512	25.5
109.10163	65.7
109.26781	3.1
110.52853	3.8
111.04442	19.2
111.08061	5.7
111.11724	14.4
117.07076	4.1
119.08588	30.8
121.06512	5.6
121.10148	39.3
123.04429	4.7
123.08044	11.5
123.11714	29.3
125.06004	63.7
131.08551	9.4
133.10144	23.6
135.08063	9.5
135.11674	21.8
136.17455	3.1
137.05983	83.4
137.09616	14.4
137.13252	11.0
137.87944	3.2
139.07553	12.8
141.05484	9.0
143.08569	6.1
145.10138	12.2
147.08009	4.1
147.11705	23.1
149.09656	6.2
149.13229	20.8
151.07578	18.0
151.11188	10.2
151.14830	4.2
153.09131	3.3
157.10146	5.2
159.11694	13.4
161.09634	11.5
161.13264	17.4
163.11195	8.6
163.14845	11.0
165.09138	18.1
165.12810	9.8
165.16324	4.6
167.10695	9.6
173.13278	6.5
175.11166	8.9
175.14842	11.7
177.12842	7.1
177.16446	7.6
179.10698	28.8
179.14287	4.8
179.17900	4.9
181.12282	16.3
183.10176	6.6
187.14839	6.6
189.12767	6.2
189.16374	12.2
191.14293	5.7
191.17973	4.7
193.12263	26.8
193.15944	4.1
195.13814	10.8
197.11752	11.6
201.16425	5.2
203.17953	8.6
205.19609	8.8
207.13889	23.5
207.17459	3.9
209.15306	6.8
211.13292	8.2
215.18031	8.6
217.19511	10.3
221.15413	22.1
223.16978	5.6
225.14809	10.6
227.18024	4.0
231.21223	4.0
235.16940	19.4
235.20607	3.6
237.18503	8.1
239.16463	3.1
243.21036	4.2
245.22609	6.1
249.18625	16.0
251.20073	5.8
253.18057	8.3
263.20078	24.2
265.21817	5.6
267.19498	10.2
269.22501	3.7
277.21677	15.5
279.22992	4.3
279.94235	3.2
281.21082	10.8
284.95239	3.5
289.29205	4.0
291.23441	16.0
295.22672	8.0
305.24774	11.7
317.28195	4.4
319.26431	15.3
323.26178	4.4
333.27866	14.5
371.33142	4.7
389.34149	49.0
407.36603	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01870	1.0
55.05516	4.1
57.07077	8.0
65.03940	3.5
67.05509	23.2
69.07071	7.1
69.30018	2.3
69.30445	2.6
71.05011	3.2
71.08639	6.7
79.05492	1.4
81.07061	4.5
83.08619	5.3
85.10191	3.4
89.06052	1.2
91.05470	1.3
93.07050	3.5
95.04968	14.0
95.08607	6.0
97.06557	0.7
97.10172	3.4
99.04462	9.3
105.03383	1.3
105.07028	2.2
107.08595	4.3
109.06545	1.1
109.10159	3.9
111.11725	3.4
113.06016	2.8
119.08567	1.9
121.08415	0.6
121.10132	2.2
123.04430	16.7
123.08070	1.4
123.11706	2.3
124.31774	0.5
125.05983	8.1
133.08575	1.3
133.10147	3.2
135.07993	0.7
135.11697	0.8
136.05902	0.6
137.05876	0.7
137.09615	1.3
137.13254	0.7
139.07558	4.0
141.05466	100.0
145.10136	1.0
147.11670	2.1
149.13307	1.4
151.07593	0.8
151.11176	1.7
155.07024	1.1
161.09616	0.9
161.13271	1.5
165.09198	0.7
165.12741	0.8
165.16309	0.8
175.11211	0.9
175.14882	0.9
181.12206	0.6
183.81183	0.6
189.16422	1.0
190.02823	0.6
229.59003	0.7
329.32172	1.1
347.33029	2.9
361.34546	0.8
365.34232	2.3
371.33246	1.2
389.34216	7.6
407.35236	36.6
408.35641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01877	1.5
55.05520	10.1
55.79961	1.1
56.96545	2.6
57.07079	2.4
67.05510	19.1
69.03423	4.3
69.07070	14.2
69.51134	2.6
69.51537	7.4
79.05509	16.3
81.06593	2.4
81.07061	43.3
83.04978	4.3
83.08613	5.9
91.05490	21.5
93.07050	37.4
95.04956	3.3
95.08618	55.1
96.64589	1.5
97.06512	1.4
97.10162	4.6
98.97586	14.3
99.08093	1.4
105.07042	46.6
107.08607	48.6
108.90601	1.2
109.06531	5.2
109.10171	35.9
111.08063	3.7
111.11655	1.8
111.70095	1.2
115.05453	2.6
116.98624	4.2
117.07024	7.9
119.08592	49.1
121.06545	1.5
121.10160	40.5
123.08065	3.7
123.11730	17.1
125.09637	8.6
128.06218	3.0
129.07021	7.6
130.07722	1.2
131.08574	29.9
133.10147	38.2
135.08125	1.3
135.11697	16.8
137.09613	5.5
137.13239	4.3
142.07811	2.9
143.07504	2.2
143.08577	25.4
144.08099	1.5
144.09338	2.1
145.10130	49.4
147.08139	1.5
147.11699	18.0
149.09628	1.6
149.13264	22.0
151.11186	5.0
155.08566	4.1
156.09380	1.7
157.10146	17.6
158.10901	3.8
158.99644	10.0
159.11707	25.6
161.09656	2.5
161.13226	11.6
163.13597	1.9
163.14853	17.4
165.12639	1.3
165.16493	1.4
167.07083	1.3
169.10164	6.9
170.10895	3.6
171.11725	12.8
172.12416	1.8
173.09579	1.3
173.13278	34.1
175.11214	3.6
175.14844	21.3
177.00742	4.7
177.12801	1.8
177.16377	18.9
177.17836	1.8
181.10130	1.6
182.11026	1.3
183.11690	6.1
185.13275	11.1
187.11247	2.3
187.14835	75.8
189.16393	22.9
191.14314	7.6
191.18010	4.6
195.11699	3.4
197.13306	4.9
199.14819	17.6
201.12711	1.9
201.16402	22.7
203.14389	3.3
203.17934	13.6
205.15898	5.5
207.17505	1.3
209.13222	2.1
211.14897	7.8
213.16403	41.6
214.17128	5.1
215.17964	24.4
217.15874	5.7
217.19505	3.2
219.01819	2.1
223.14873	2.8
225.16354	6.0
227.17981	7.5
227.47522	1.2
229.15906	4.0
229.19559	3.8
231.17529	4.4
231.21106	1.4
233.19003	3.2
237.16347	2.3
239.18019	6.3
241.19473	11.5
243.17436	2.3
243.21075	6.1
245.19012	1.9
251.17943	2.6
253.19611	6.8
255.21162	10.9
257.19019	2.4
257.22684	2.2
265.19525	3.0
267.21179	15.2
269.19113	2.8
269.22641	3.1
271.20984	1.4
279.20953	1.7
281.22638	3.0
283.20688	4.2
283.23956	1.9
293.22601	1.4
311.23700	3.6
319.24554	1.9
333.25635	2.9
337.25226	1.4
347.27335	2.2
349.28864	2.1
379.33673	3.6
389.32059	23.0
395.55472	1.3
407.24466	2.5
407.33121	100.0
408.33521	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01886	1.8
55.05515	10.2
56.10368	1.0
57.07084	2.8
65.03927	1.1
66.48454	1.0
67.05514	15.0
69.03433	6.2
69.07070	13.0
69.37524	9.1
71.05016	1.3
71.08645	1.3
75.96933	1.2
79.05495	14.2
81.07058	36.0
83.04977	3.8
83.08624	7.0
91.05477	16.3
93.06553	0.8
93.07047	29.7
95.04970	3.5
95.08614	39.4
97.06519	2.0
97.10169	4.9
99.08134	1.0
103.05515	1.2
105.07037	41.4
107.08596	43.0
109.06527	6.5
109.10162	28.6
111.08080	2.5
115.05411	1.3
117.07018	6.6
119.08588	35.9
121.06528	1.2
121.10153	30.2
123.08064	4.3
123.11710	15.0
125.09629	13.6
129.07033	5.4
130.07817	1.2
131.08578	28.0
133.10141	27.1
135.11691	13.3
137.09622	3.7
137.13246	2.1
142.07835	2.0
143.08566	18.9
144.09320	1.7
145.10121	45.1
147.07968	1.1
147.11690	17.4
149.09557	2.3
149.13257	14.5
151.11169	3.0
155.08540	3.5
156.09395	2.5
157.10146	14.4
157.74944	1.4
158.10912	3.8
159.11707	23.1
161.09689	2.2
161.13243	12.2
163.11174	3.0
163.14833	17.4
169.10158	4.5
170.10925	2.4
171.11676	13.1
172.12489	2.4
173.13275	24.7
173.84567	1.2
175.11226	1.8
175.14850	16.1
177.16408	14.1
181.10216	1.6
183.11688	5.6
185.13252	12.0
187.14828	68.1
189.16389	21.1
191.14313	6.1
191.18018	3.3
195.11684	1.5
197.13271	6.0
199.14832	14.1
201.12851	1.2
201.16396	16.3
203.14345	1.7
203.17931	10.1
205.15892	2.6
209.13350	2.2
211.14781	6.3
213.16393	26.6
213.18407	1.9
213.84398	1.1
214.17059	1.3
215.17967	18.5
217.15918	9.5
217.19511	4.0
223.14717	1.9
225.16476	5.6
227.17963	8.5
229.19559	2.7
231.17494	3.7
233.19055	4.2
237.16435	2.0
239.17966	5.8
241.19527	7.5
243.17522	2.6
243.21104	5.9
245.19081	1.3
251.17963	1.9
253.19577	5.3
255.21100	8.5
257.19012	2.7
265.19684	3.2
267.21021	10.4
269.22641	2.2
279.21078	2.4
281.22696	4.3
283.20590	4.6
283.24103	3.0
293.22595	2.1
295.24072	1.6
311.23535	1.5
319.24387	1.3
333.25766	2.5
349.29056	2.5
379.33746	1.3
389.32010	18.5
407.33124	100.0
408.33740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.05513	10.6
57.07077	2.1
57.34364	1.3
67.05183	1.8
67.05507	18.9
67.23911	1.4
68.52547	1.3
69.03418	1.9
69.07072	12.5
70.04510	6.2
73.46120	1.2
75.15202	1.3
79.05495	14.6
81.06593	3.1
81.07056	42.0
83.04962	6.5
83.08612	6.7
91.05473	18.7
93.07048	31.0
95.04993	2.6
95.08611	59.5
97.06525	1.4
97.10172	2.4
103.05407	2.1
105.07036	51.0
107.07880	3.2
107.08596	52.5
107.79687	1.3
109.06534	2.7
109.10160	33.2
117.07048	8.0
118.05196	1.4
119.08582	60.0
121.06506	2.0
121.10146	45.3
123.11704	19.0
125.09642	2.9
128.06219	4.5
129.07007	9.9
130.07776	2.0
131.08563	28.5
133.09125	2.1
133.10135	41.7
135.11707	17.6
137.09636	2.7
137.13284	3.2
141.06989	2.9
142.07779	2.5
143.08562	32.4
144.09387	2.3
145.10132	50.8
147.11705	15.9
149.09650	2.9
149.13252	18.1
151.11198	5.2
155.08542	3.2
156.09334	3.3
157.10124	19.3
158.10898	5.0
159.11699	30.3
161.09560	1.6
161.13243	13.8
163.11142	1.7
163.14821	17.0
169.10139	6.3
170.10875	2.9
171.11673	14.5
173.13266	32.2
175.14838	16.9
177.16417	11.8
181.10147	2.1
183.11739	6.7
185.13258	13.7
187.14825	64.4
189.16371	16.1
191.14310	9.5
191.17899	2.9
195.11754	4.0
197.13303	8.1
199.14821	19.0
201.16357	27.6
203.14357	2.5
203.17975	5.9
205.15872	8.8
207.17427	2.8
209.13309	2.2
211.14815	7.4
213.16373	39.4
214.17203	2.4
215.14418	3.8
215.17949	28.3
217.15962	4.6
217.19542	4.0
223.14835	1.8
225.16403	5.8
227.17928	8.6
229.15938	9.8
229.19566	4.6
231.17538	3.3
233.18965	3.5
235.14937	1.9
237.16470	3.2
239.17892	7.2
240.40352	1.2
241.19560	11.3
242.20306	1.6
243.17374	1.5
243.21217	7.0
245.18947	2.0
251.17950	2.0
253.19560	5.6
255.21149	12.3
257.19073	2.8
257.22632	2.0
265.19351	2.3
267.21088	14.3
268.21344	1.7
268.69659	1.4
269.19208	1.5
269.22617	4.0
271.20425	1.7
279.20978	2.6
281.22641	5.1
283.20639	4.8
283.24271	2.4
293.22781	3.7
295.23962	2.1
311.23697	10.9
319.24014	2.3
337.25189	3.5
359.51907	1.4
379.33630	3.2
389.31976	17.8
405.62045	1.4
407.33093	100.0
408.33264	2.1
412.22720	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.05514	9.7
57.07058	2.5
65.03918	1.0
65.88226	0.8
67.05511	16.4
69.03420	3.5
69.06738	0.9
69.07075	12.5
69.47222	1.8
69.47630	4.2
71.08615	1.0
79.05499	13.2
81.06593	1.8
81.07059	31.8
83.04994	4.6
83.08619	4.4
91.05473	16.7
93.07048	28.1
95.04946	3.1
95.08607	40.4
97.06532	2.0
97.10146	2.6
103.05515	1.1
105.04533	0.8
105.07034	37.9
107.08600	37.7
109.06507	3.5
109.10162	28.8
111.08083	2.7
111.11736	1.0
115.05479	1.0
116.06292	1.1
117.07022	7.0
119.07729	1.7
119.08584	36.0
121.06506	1.4
121.10146	31.3
123.08073	2.5
123.11710	12.5
125.09641	8.3
128.06230	2.5
129.07013	8.0
130.07811	2.2
131.08571	27.0
133.10129	29.4
135.08043	1.6
135.11707	13.0
137.09601	4.2
137.13266	3.9
141.07016	2.0
142.07787	3.4
143.08565	22.9
144.09351	2.9
145.10127	41.0
147.08055	1.2
147.11691	16.3
149.13266	17.1
151.11246	4.6
151.14731	1.0
155.08551	4.5
156.09352	3.4
157.10153	15.8
158.10898	3.9
159.11711	19.2
161.13254	10.0
163.11212	1.5
163.14825	18.4
169.10143	4.0
170.10901	1.7
171.11688	10.5
172.12448	2.0
173.13272	26.0
175.11140	2.1
175.14825	17.5
177.12721	2.1
177.16371	12.8
181.10204	1.5
183.11707	5.1
185.13268	11.5
187.14819	69.5
189.16371	18.8
191.14319	9.2
191.17966	2.9
193.15936	0.9
197.13286	4.2
199.14822	17.2
201.16406	19.8
203.17993	8.3
205.15903	2.0
207.17455	1.2
209.13297	2.9
211.14871	4.4
213.16394	43.0
214.17023	2.0
215.14522	1.4
215.17972	28.6
217.15880	5.8
217.19518	4.0
219.17259	0.9
223.14876	1.5
225.16420	6.3
227.17981	8.9
229.15866	2.2
229.19543	3.8
231.17477	2.9
231.21103	1.4
233.18951	5.2
237.16408	2.9
239.17937	5.6
241.19533	14.1
243.17445	3.0
243.21054	7.2
245.18950	1.5
251.17912	3.1
253.19542	3.5
255.21135	13.1
257.19049	2.5
257.22495	1.2
265.19528	2.0
267.21069	16.1
269.19199	1.5
269.22693	3.1
271.20450	1.4
277.19739	1.3
279.21252	2.1
281.22610	4.1
283.20569	5.1
283.24152	1.7
293.22604	1.1
307.24045	1.1
319.24097	1.3
333.25769	2.2
349.28909	2.0
351.26682	1.6
379.33578	3.2
389.32019	22.8
407.24908	13.4
407.33069	100.0
408.33356	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05513	11.4
57.07068	2.5
65.03927	1.5
67.05505	17.3
69.03423	4.4
69.07069	13.3
69.37456	7.7
79.05494	12.8
81.03429	1.8
81.07059	40.2
83.04990	4.4
83.08624	8.1
91.05485	17.6
93.07052	27.3
95.04984	6.6
95.08607	48.6
97.06549	1.6
97.10166	4.0
99.08085	2.6
103.05428	1.5
105.04512	1.0
105.07033	40.7
107.08597	41.4
109.06512	4.3
109.10162	26.8
109.10925	1.0
111.08092	4.5
115.05443	1.8
116.06249	1.0
117.07010	7.3
119.08591	36.5
121.10143	30.5
123.08089	3.4
123.11713	12.0
124.03281	0.9
125.09641	10.8
128.06238	1.1
128.62582	0.9
129.07021	6.0
129.07814	0.9
130.07806	1.4
131.08574	21.0
133.10135	27.4
135.08049	2.5
135.11703	13.9
137.09628	4.5
137.13295	3.3
139.11220	1.5
141.07040	1.3
142.07736	1.5
143.08565	15.9
144.09378	2.7
145.10129	37.9
147.08063	1.1
147.11688	13.2
149.09612	2.6
149.13269	15.3
151.11185	2.9
155.08568	3.8
156.09315	1.6
157.10139	14.7
158.10883	2.4
159.11707	22.4
161.09686	1.4
161.13264	13.8
163.11128	2.3
163.14813	16.4
165.12820	1.8
167.08542	1.5
169.10132	4.4
170.11012	1.4
171.11681	10.8
173.13284	17.1
175.11214	2.2
175.14804	13.9
177.16402	11.2
179.14346	2.0
181.10168	1.3
182.10878	1.1
183.11716	6.0
185.13254	10.3
187.14819	61.5
189.16385	15.2
191.14363	5.1
191.17961	3.0
193.12286	4.9
195.11732	2.8
196.12488	1.2
197.13292	4.3
199.14807	11.9
201.12686	1.5
201.16391	21.3
203.14323	2.0
203.18008	9.6
205.15907	3.0
207.17561	1.1
209.13266	3.6
211.14859	4.6
213.16371	24.4
214.17188	1.5
215.14427	2.8
215.17966	15.2
217.15909	6.0
217.19527	2.6
219.17470	1.7
223.14862	2.9
225.16443	5.1
227.17917	7.3
229.15941	2.5
229.19572	4.1
231.17435	3.0
233.19014	4.3
237.16351	2.8
239.17970	4.7
241.19478	10.5
242.20288	1.4
243.17548	2.2
243.21101	5.1
245.19028	1.5
251.18008	1.7
253.19545	4.9
255.21031	8.7
257.19040	2.3
257.22592	1.3
259.20438	1.2
265.19577	2.4
267.21127	9.0
269.19049	1.0
269.22623	1.4
279.21201	2.5
281.22620	3.6
283.20563	3.1
283.24258	3.1
293.22647	2.5
295.24298	1.8
297.22195	1.3
299.43607	1.0
307.24207	1.6
311.23770	1.9
333.25873	1.7
349.29041	3.4
351.26736	2.1
353.24683	1.1
371.25824	3.6
379.33768	1.6
385.86105	1.1
389.27081	1.9
389.31982	18.0
407.33109	100.0
408.33740	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01846	2.2
55.05512	11.1
57.07066	3.8
63.59706	1.4
67.05506	24.3
69.03413	1.6
69.07070	19.8
69.31397	11.2
70.06568	3.0
70.74979	1.5
71.66595	1.4
77.03930	1.6
79.05087	1.4
79.05497	22.0
81.07059	50.1
83.04979	9.8
83.08582	5.9
91.05484	28.3
93.07047	44.4
95.04929	5.7
95.08609	51.3
97.06514	3.0
97.10124	2.7
97.81028	1.6
103.05457	2.6
105.07031	65.6
107.04897	2.1
107.08594	65.5
107.09260	2.1
109.06504	11.1
109.10162	42.7
111.08038	2.2
115.05378	2.1
117.06993	10.1
119.08582	71.2
121.06442	3.1
121.10150	72.8
123.08007	4.4
123.11716	24.1
125.09568	5.1
128.06178	2.7
129.07010	8.2
131.08575	35.2
133.07492	1.8
133.10139	63.9
135.08043	1.8
135.11705	24.9
137.09567	3.8
137.13231	2.5
142.07712	1.7
143.08548	21.3
144.09276	3.8
145.09113	2.5
145.10120	35.9
147.10707	1.8
147.11684	22.1
149.13295	9.5
151.11198	12.6
155.08496	3.9
156.09239	4.9
157.10121	18.7
158.10852	3.2
159.11711	27.1
161.13266	13.1
163.14824	11.8
165.16324	4.1
169.10043	5.0
170.10880	3.3
171.11691	23.5
172.12343	6.0
173.13255	34.6
175.14801	23.2
177.16315	5.3
179.34543	1.6
182.10841	2.4
183.11589	4.9
185.13283	20.9
186.13861	3.6
187.14815	30.9
189.16333	8.0
191.14229	13.3
193.15942	12.1
195.11650	2.1
197.13312	9.1
198.14003	3.1
199.14824	84.7
200.15382	3.6
201.16385	21.5
203.17853	5.2
205.15814	4.3
211.14743	5.5
212.15564	1.6
213.14458	2.9
213.16385	64.4
214.17178	48.4
215.17958	94.9
217.15697	4.4
223.14946	2.1
225.16386	2.6
227.17998	8.0
239.17868	2.1
241.19511	19.9
243.21033	11.8
253.19589	2.2
255.21002	13.4
267.21115	16.8
269.22540	3.4
281.22379	2.8
301.29236	4.2
315.19595	1.8
389.23203	2.4
389.32071	7.8
407.24030	7.9
407.32831	100.0
408.33072	2.4
409.50031	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.05514	19.6
56.55337	3.2
57.07074	11.2
59.04992	11.1
60.20179	3.6
65.03959	3.1
67.05508	30.7
69.07078	22.3
69.23886	29.9
71.04996	11.8
79.05493	51.9
79.75903	3.8
80.00172	3.9
80.34750	3.6
81.07057	52.9
83.04978	5.4
83.08618	10.8
85.06546	26.2
86.09682	3.3
91.05485	53.9
93.07045	70.4
95.04967	10.9
95.08615	44.6
96.53172	3.3
97.06532	5.8
98.20811	7.4
105.07031	92.4
107.08592	75.0
108.05743	7.3
109.06533	11.0
109.10166	33.0
111.08090	29.0
113.00027	6.4
115.05439	7.5
115.62682	3.3
117.07009	29.3
119.08584	100.0
121.06500	7.2
121.10149	45.6
123.08096	23.1
123.11687	11.8
125.09624	7.9
128.06232	14.9
129.07013	13.2
130.07793	5.0
131.08575	45.1
133.07570	4.4
133.10136	57.2
135.08064	17.5
135.11696	30.3
137.09641	18.4
137.13231	4.4
138.14188	3.9
141.07010	9.8
142.07782	32.2
143.08571	44.9
144.09315	10.1
145.10129	83.3
147.07979	4.4
147.11688	17.0
149.09633	13.0
149.13249	18.4
151.11151	4.5
153.06967	4.4
154.07776	12.7
155.08569	18.3
156.09354	12.7
157.10124	56.6
158.10922	9.1
159.07986	3.6
159.11690	43.5
161.09671	6.1
161.13278	12.0
163.11171	7.6
163.14821	13.0
165.07027	4.5
167.08640	6.8
168.09383	9.7
169.02589	5.0
169.10101	37.1
170.10851	5.8
171.11725	31.3
172.05540	3.2
173.13327	26.5
175.11224	19.7
175.14812	27.0
179.08540	8.3
181.10115	9.4
183.11617	20.4
185.13297	16.0
187.11153	4.3
187.14799	22.0
189.12784	8.8
189.16351	6.6
193.10094	7.8
194.10936	8.4
195.11664	14.1
196.12424	7.2
197.13266	15.1
199.14876	12.4
201.12668	16.5
201.16347	20.3
207.11731	9.5
209.13289	16.2
211.14879	9.1
213.16412	16.2
215.17897	10.8
221.13293	11.2
223.14789	12.3
223.16830	3.5
225.16367	4.9
229.15811	5.4
231.17484	3.9
235.14957	4.8
237.16510	6.4
239.17833	6.8
241.19582	9.9
249.18471	5.4
251.18015	3.7
255.20952	3.9
257.18985	3.8
267.17023	3.5
267.21310	3.9
283.20367	5.5
328.23926	7.0
375.27005	5.2
407.29233	10.3
407.33643	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01862	3.7
55.05515	32.9
57.03433	4.9
57.07068	13.6
66.76058	3.5
67.05511	57.2
69.03419	4.1
69.07073	26.4
69.95470	14.2
71.05001	5.8
79.05497	46.3
81.03408	19.6
81.07062	93.5
83.04977	13.5
83.08624	19.1
85.06544	4.2
91.05493	50.7
93.07053	57.9
95.04978	31.0
95.08614	100.0
97.06535	8.9
97.10167	17.0
105.07037	55.9
107.04968	5.9
107.08607	56.2
109.06497	10.3
109.10170	33.3
111.08070	9.7
114.07021	3.7
117.06984	12.9
119.08586	77.0
121.06513	3.8
121.10155	40.7
123.08044	7.7
123.11708	10.8
125.09618	11.8
129.07013	14.3
131.08582	27.7
133.10132	49.0
135.08081	7.2
135.11690	25.2
137.09641	4.3
137.13243	11.0
141.06978	5.8
142.07765	6.3
143.08563	18.9
145.10133	40.2
147.08026	6.1
147.11699	21.3
149.09641	4.3
149.13225	9.3
151.11153	5.1
155.08578	7.8
157.10175	20.6
158.10826	4.8
159.11717	27.6
161.13275	51.6
163.11191	6.5
163.14824	11.6
169.10107	8.7
171.11693	15.9
173.13210	16.4
175.11237	6.4
175.14810	12.7
177.16368	6.1
179.14345	17.4
183.11662	8.9
185.13263	12.2
187.14851	56.6
189.16422	12.9
191.14374	3.1
193.12247	48.0
195.11940	3.5
197.13246	11.1
199.14804	17.9
201.16425	23.0
203.17996	8.3
205.15874	4.3
211.13254	12.6
213.16451	18.2
215.17943	13.0
217.15823	6.4
219.17326	3.5
225.16452	7.0
227.17900	5.7
239.17981	4.1
241.19472	6.1
255.21097	6.6
273.18527	3.5
279.66772	3.0
283.20792	3.9
286.23874	3.2
287.20154	3.5
311.23849	4.0
319.24030	4.7
353.24677	10.1
371.25769	17.9
389.26935	11.5
389.31992	15.8
403.95248	3.5
407.28104	8.6
407.33096	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24864	3.8
53.82779	2.7
55.05513	21.3
57.07059	3.1
58.36161	2.8
59.04989	6.5
67.05511	17.7
69.07056	13.6
71.04994	10.7
74.86499	2.9
79.05151	3.0
79.05501	33.6
80.33644	3.3
81.07062	58.0
83.08618	5.9
85.06538	22.5
89.06027	4.2
91.05482	38.4
93.07044	42.0
95.04958	8.7
95.08601	26.3
97.06512	8.1
100.77988	2.8
105.07037	100.0
107.08592	29.7
109.06538	7.5
109.10181	18.4
111.08068	27.2
113.00003	3.9
115.05448	5.6
117.07024	27.1
119.08595	58.0
121.10150	35.0
123.08089	15.2
123.11694	8.5
125.06010	9.0
125.09597	3.8
128.06200	8.9
129.07028	14.9
130.07782	12.8
131.08563	25.4
133.10132	37.9
135.08044	12.6
135.11694	9.5
137.09602	15.7
139.11285	3.3
141.06964	6.6
142.07771	17.6
143.08601	23.8
144.09328	4.5
145.10135	64.9
147.08052	4.8
147.11684	21.8
149.09612	6.0
149.13272	4.8
151.11134	6.6
153.06966	3.9
154.07715	4.4
155.08519	10.9
156.09344	7.5
157.10135	39.1
158.10785	3.5
159.11720	21.9
160.08777	4.0
161.09590	8.6
161.13245	7.3
165.06943	5.7
166.07730	3.7
167.08546	4.2
168.09323	6.2
169.02606	4.7
169.10185	23.3
171.11630	7.4
173.09613	4.6
173.13266	8.5
175.11139	13.2
175.14809	4.8
177.12723	6.7
177.16428	4.3
179.08519	4.5
180.09218	4.0
181.10127	6.9
182.10884	6.9
183.11671	8.9
187.14807	6.0
189.12715	4.9
193.10123	5.4
194.10803	3.3
195.11682	14.9
196.12500	5.1
197.13322	5.9
199.14896	6.0
201.12752	9.8
201.16341	6.7
207.11644	4.3
209.13188	9.8
211.14777	7.9
222.14146	3.1
237.16397	12.1
269.18979	6.2
375.26666	4.1
407.28711	4.6
407.33047	7.6
407.37518	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	407.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.4
55.01864	12.6
55.05242	4.9
55.05513	100.0
57.03437	16.8
57.07063	13.0
57.21975	3.3
57.52888	3.1
65.03942	4.8
67.05514	46.0
67.15500	3.8
69.07055	14.2
71.04993	6.3
71.08627	5.0
71.49591	5.0
79.05502	45.8
80.17149	3.4
81.03432	9.2
81.07057	49.2
83.04977	17.4
83.08626	57.3
85.06543	6.7
89.06035	14.0
91.05485	51.9
93.07051	43.7
95.04974	37.1
95.08607	35.5
97.02873	5.2
97.06529	5.4
97.10146	5.6
98.07323	4.5
103.05502	3.7
103.98355	3.6
105.04488	4.3
105.07024	50.5
107.04958	39.3
107.08591	34.0
109.06512	14.4
109.10192	22.4
111.04443	7.0
111.08087	12.6
112.05199	6.7
113.05976	4.4
117.07012	28.5
119.04949	5.9
119.08591	43.5
121.06519	10.8
121.10178	23.3
122.07279	15.9
123.04407	5.1
123.08069	7.6
123.11629	3.6
125.06007	3.9
125.09546	3.4
128.06245	8.7
129.07008	16.6
131.08565	27.0
133.06491	12.3
133.08580	8.4
133.10164	26.2
135.08066	17.2
135.11674	8.7
137.09599	3.8
141.07066	3.8
142.07788	9.1
143.08583	20.3
145.06493	10.5
145.10138	30.6
147.08022	18.4
147.11668	8.9
148.08850	4.3
149.09642	8.5
151.07547	6.0
152.41315	3.3
155.08563	8.7
156.09178	3.6
157.10117	16.1
159.08075	6.7
159.11674	15.8
161.09612	14.7
161.13295	5.4
162.10356	3.3
163.11134	8.4
165.09215	5.2
169.10123	10.0
171.11676	13.4
173.09634	4.3
173.13286	9.2
173.40480	3.4
175.11238	8.4
175.14853	7.1
183.11688	5.4
185.13377	4.7
187.11247	4.6
187.14810	11.2
189.12730	3.7
193.10298	3.8
197.13235	7.8
199.14845	5.0
201.12659	4.8
203.14438	4.1
205.15950	5.7
209.13312	6.3
215.14253	4.2
233.15370	35.7
251.16476	8.6
258.64047	4.2
273.18497	9.3
290.18683	13.7
381.69611	3.5
407.28351	4.4
407.33197	7.2
421.56290	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	407.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01862	3.7
55.05515	32.9
57.03433	4.9
57.07068	13.6
66.76058	3.5
67.05511	57.2
69.03419	4.1
69.07073	26.4
69.95470	14.2
71.05001	5.8
79.05497	46.3
81.03408	19.6
81.07062	93.5
83.04977	13.5
83.08624	19.1
85.06544	4.2
91.05493	50.7
93.07053	57.9
95.04978	31.0
95.08614	100.0
97.06535	8.9
97.10167	17.0
105.07037	55.9
107.04968	5.9
107.08607	56.2
109.06497	10.3
109.10170	33.3
111.08070	9.7
114.07021	3.7
117.06984	12.9
119.08586	77.0
121.06513	3.8
121.10155	40.7
123.08044	7.7
123.11708	10.8
125.09618	11.8
129.07013	14.3
131.08582	27.7
133.10132	49.0
135.08081	7.2
135.11690	25.2
137.09641	4.3
137.13243	11.0
141.06978	5.8
142.07765	6.3
143.08563	18.9
145.10133	40.2
147.08026	6.1
147.11699	21.3
149.09641	4.3
149.13225	9.3
151.11153	5.1
155.08578	7.8
157.10175	20.6
158.10826	4.8
159.11717	27.6
161.13275	51.6
163.11191	6.5
163.14824	11.6
169.10107	8.7
171.11693	15.9
173.13210	16.4
175.11237	6.4
175.14810	12.7
177.16368	6.1
179.14345	17.4
183.11662	8.9
185.13263	12.2
187.14851	56.6
189.16422	12.9
191.14374	3.1
193.12247	48.0
195.11940	3.5
197.13246	11.1
199.14804	17.9
201.16425	23.0
203.17996	8.3
205.15874	4.3
211.13254	12.6
213.16451	18.2
215.17943	13.0
217.15823	6.4
219.17326	3.5
225.16452	7.0
227.17900	5.7
239.17981	4.1
241.19472	6.1
255.21097	6.6
273.18527	3.5
279.66772	3.0
283.20792	3.9
286.23874	3.2
287.20154	3.5
311.23849	4.0
319.24030	4.7
353.24677	10.1
371.25769	17.9
389.26935	11.5
389.31992	15.8
403.95248	3.5
407.28104	8.6
407.33096	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
55.05507	1.5
56.05040	6.5
57.03441	4.4
58.99588	12.0
61.01159	1.3
68.05044	1.2
69.07077	1.6
71.15742	1.5
73.01147	1.7
74.00665	2.1
76.02231	20.8
76.03993	2.7
79.05489	3.4
81.07063	17.4
83.06084	2.3
84.04508	24.6
85.01114	2.9
86.00654	4.0
86.99042	6.1
87.02699	5.8
88.02208	2.1
92.96268	0.9
95.08623	3.4
96.08139	1.2
97.01090	1.2
97.06527	2.4
98.09698	11.7
99.08108	4.3
102.05562	5.5
105.07035	1.7
107.04955	1.2
108.08183	0.9
110.09689	1.2
112.03973	3.9
113.04213	5.2
115.05795	1.4
116.01678	20.5
122.09695	2.0
129.06586	3.6
130.05002	6.8
130.06868	3.6
130.08641	2.0
139.05765	0.9
142.03194	2.4
143.02817	1.0
144.01141	8.5
145.06027	1.3
156.08429	18.9
156.10205	10.1
157.06824	10.1
161.96245	0.9
162.02211	21.2
174.09479	10.5
179.04868	9.3
189.03255	1.3
210.11266	2.7
216.06906	7.1
233.05879	1.7
259.11130	100.0
260.09354	1.8
260.11783	1.6
277.12341	1.3
285.12769	1.1
313.12253	3.9
331.13150	4.9
406.16351	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3729
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05516	8.3
57.03430	0.9
57.07080	11.1
67.05495	2.2
69.03416	1.1
69.07069	9.3
71.08641	6.4
71.40346	1.2
79.05484	1.5
81.07057	3.4
83.01347	9.9
83.04987	1.0
83.08618	7.0
85.10182	3.2
91.05473	1.3
92.32257	0.5
93.07048	3.6
95.08618	3.6
97.06539	4.0
97.10181	4.3
100.14960	0.5
105.07047	1.3
107.08590	5.5
109.06503	1.5
109.10160	2.4
111.08095	4.2
111.11710	1.5
119.08559	0.8
121.06490	1.4
121.10148	3.4
123.08058	3.6
123.11732	1.4
125.05997	5.3
125.09628	6.3
126.06778	0.6
127.07555	2.6
133.10161	0.8
135.08060	1.2
135.11710	2.3
137.09622	2.1
137.13193	0.6
139.07541	22.6
139.11192	4.1
147.19263	0.5
149.13234	1.4
151.11220	4.6
153.09094	5.8
153.12689	2.8
159.11743	0.7
165.12743	0.6
167.10686	7.4
167.14325	0.9
173.13205	1.0
177.12785	0.6
179.14293	1.0
181.12245	12.3
195.13805	8.8
205.15862	1.2
209.15399	6.8
223.16951	3.4
237.18576	2.0
251.19975	2.8
262.79861	0.5
265.21689	2.7
272.26511	0.6
279.23132	2.8
293.24799	2.1
306.29788	0.6
307.26321	1.1
321.27798	0.8
335.29456	1.2
349.31091	1.0
387.36264	2.3
405.37296	100.0
406.37570	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03942	11.7
55.01869	14.5
55.05512	42.0
57.03436	7.3
57.07079	4.3
57.93660	2.9
59.05004	3.8
65.03950	5.6
65.47831	3.3
67.05512	85.6
69.03433	31.4
69.04000	3.1
69.07076	34.9
69.37152	21.6
71.01352	3.7
71.04987	7.7
79.05077	4.7
79.05501	72.7
79.05919	5.9
80.01245	3.1
81.03426	28.1
81.07063	99.4
83.04990	21.6
83.08618	18.3
85.02910	10.0
91.05486	82.0
93.06482	7.1
93.07050	93.2
93.07645	4.7
95.04961	21.6
95.08612	78.0
97.02908	10.9
97.06528	10.9
97.10145	7.6
98.20721	3.4
99.04452	7.3
99.08106	3.8
105.04577	4.0
105.07040	91.4
107.04953	15.7
107.08600	62.3
109.01202	3.8
109.02905	7.0
109.06517	19.4
109.10149	30.0
111.04458	16.1
111.11729	3.7
115.05473	7.3
117.07022	53.4
119.04979	4.2
119.08585	83.0
121.06526	11.9
121.10155	38.9
123.04444	6.4
123.08050	10.3
123.11734	11.3
125.09619	5.9
127.03931	3.4
128.06221	6.4
129.07004	26.8
130.07738	5.4
131.08588	65.9
133.06491	15.4
133.10150	58.3
135.08089	12.3
135.11688	22.7
137.09645	8.7
141.06990	10.4
142.07785	9.5
143.08563	33.3
144.09293	3.2
145.06476	9.7
145.10135	68.6
147.08073	10.0
147.11684	31.6
149.09619	12.2
149.13269	16.1
151.07501	4.7
155.08534	13.9
156.09341	7.5
157.06552	4.7
157.10132	30.4
158.11012	3.6
159.08047	8.8
159.11703	44.8
161.09622	10.1
161.13243	19.9
163.11188	5.5
165.12828	4.0
167.07077	8.5
167.08549	7.0
169.10126	17.8
171.08055	8.3
171.11697	29.8
173.09659	7.2
173.13263	31.4
175.11203	8.8
175.14864	7.6
177.12801	6.0
177.16495	4.7
181.08640	3.3
181.10168	8.7
183.11752	21.0
185.09698	6.7
185.13257	40.8
187.11267	8.5
187.14848	33.0
189.12808	6.2
189.16415	7.2
191.14366	4.1
195.11771	7.0
197.09639	3.6
197.13301	16.0
199.14885	18.0
201.12752	7.0
201.16458	6.3
203.14388	4.4
207.11690	4.2
207.13565	3.1
209.13271	8.9
211.14854	13.1
213.12744	5.9
213.16438	11.5
215.14346	4.1
223.14938	7.7
225.12697	4.1
225.16406	7.0
227.14258	4.1
229.15892	5.8
231.17520	5.0
235.14864	3.9
239.14296	3.5
239.17995	5.2
253.19516	3.9
255.17451	4.0
259.20544	6.3
267.21112	3.5
271.20554	8.6
273.22174	6.7
275.20236	4.6
277.21597	7.6
285.22137	5.0
289.21664	14.1
299.23459	4.5
301.21686	12.0
303.23151	9.5
313.21771	4.4
315.23203	9.2
319.22818	9.6
327.23233	9.5
331.22903	5.6
341.24789	16.5
345.24310	10.3
351.23260	14.6
369.24274	57.8
387.25473	41.0
387.30170	5.6
405.26358	100.0
405.31583	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
65.03951	2.2
69.07079	5.7
69.83553	7.1
74.02281	1.8
78.04704	1.9
79.05499	9.8
81.03443	2.1
81.07080	5.0
83.04969	1.9
91.05480	11.5
93.07060	5.4
95.04972	9.2
95.08630	2.9
97.06556	2.8
98.21436	2.7
99.56309	1.8
103.05495	4.3
105.07075	10.1
107.04967	33.3
107.08647	3.3
115.05456	4.4
117.07002	2.3
118.72281	1.7
119.05018	4.5
119.08601	3.1
121.06535	7.3
121.10180	4.0
123.04424	11.1
124.05220	2.3
125.06002	3.3
128.06273	2.5
129.07024	2.8
131.08604	6.0
133.06531	4.4
133.10175	2.2
135.08095	7.2
137.06003	13.2
140.04700	2.9
143.08615	7.9
145.06496	3.0
145.10193	9.3
147.04437	7.7
147.08087	2.0
149.06029	3.6
151.03929	3.3
152.04584	2.1
153.05473	2.7
155.07082	5.1
155.08501	2.3
157.10144	3.7
158.07317	8.4
159.08041	3.4
159.11690	2.9
161.06087	4.1
161.09697	2.9
163.03848	2.3
163.07597	8.5
167.07053	100.0
173.09630	10.5
177.05516	4.9
179.07079	3.5
181.04985	20.9
181.08632	20.6
183.06564	7.8
185.13243	1.9
189.09163	4.7
191.10663	5.0
193.08707	3.9
195.10184	19.6
197.13437	2.2
199.14902	2.6
201.09142	23.1
203.06956	2.1
209.08040	4.4
218.09464	3.2
219.10196	16.9
223.13232	3.4
233.08156	2.7
233.11700	14.1
235.13367	4.5
250.89351	1.8
251.12810	55.6
263.07175	2.9
265.08932	2.1
319.11868	4.5
355.15625	2.5
405.13550	3.8
405.26532	1.9
405.31699	4.9
415.29807	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	405.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.05505	1.9
65.03932	2.5
67.05499	1.6
69.07068	3.1
69.28025	4.2
69.28451	4.5
77.03925	1.3
78.04717	1.3
79.05493	7.2
81.07087	1.8
91.05484	5.5
93.03413	1.3
93.07040	3.1
95.04974	9.6
95.08605	2.4
97.06563	1.3
98.21544	1.9
98.96714	0.9
103.05477	2.1
105.03402	1.0
105.07026	7.1
106.04160	1.8
107.04963	32.3
107.08603	2.1
110.03651	1.0
115.05481	2.1
117.07030	1.6
119.04930	2.4
119.08588	2.1
121.06522	4.2
123.04439	11.6
124.05202	3.2
125.05977	1.4
129.07007	1.8
130.07791	1.5
131.04955	2.2
131.08604	3.3
133.02812	1.1
133.06509	2.0
135.08070	6.5
137.05991	7.4
140.04684	2.7
142.07874	0.9
143.08569	3.8
145.06497	2.3
145.10149	6.5
147.04440	3.1
147.08003	1.2
149.05983	3.2
151.03929	3.4
151.07547	1.4
152.04807	1.2
153.05437	2.0
155.07057	3.6
157.10181	1.3
158.07303	6.2
159.08081	1.4
163.07545	7.6
163.11179	1.4
166.06412	1.1
167.07040	100.0
168.07458	1.6
173.09656	9.8
177.05498	1.8
179.07011	2.2
180.07817	3.0
181.04958	23.5
181.08575	14.1
183.06592	6.8
186.06709	1.7
189.09138	2.5
191.10696	3.2
192.07861	1.3
193.08620	2.3
195.10181	15.4
201.09113	17.1
207.10129	1.1
209.08087	1.8
219.10143	23.0
223.13350	3.2
233.08031	1.4
233.11760	12.0
235.13293	1.0
251.10123	1.9
251.12791	37.9
263.07129	1.8
308.06857	1.1
309.07697	1.6
317.11728	1.1
338.77438	1.0
348.54852	1.0
355.15439	1.8
380.21930	1.1
405.13373	7.8
405.31610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72316	1.1
53.03937	2.7
55.01889	2.0
58.94423	1.2
59.51332	1.2
62.38369	1.1
64.57355	1.2
65.03936	3.3
65.53122	1.2
66.30930	1.1
67.05501	2.6
69.07060	3.8
69.10962	1.1
70.54017	3.2
70.54365	1.4
79.05505	9.5
79.57639	1.3
81.03439	1.6
81.07049	3.6
82.04203	1.1
85.02901	2.0
86.39307	1.1
87.68690	1.3
91.05475	9.2
93.07043	5.0
95.04976	12.0
95.08598	2.3
97.06552	2.2
98.05836	1.3
98.21471	1.3
103.05463	2.8
105.07052	7.9
106.04206	1.8
107.04958	31.7
107.08591	2.7
109.10162	2.0
111.04435	1.4
111.60456	1.2
115.05443	3.0
117.07015	3.2
119.04945	2.7
119.08551	2.6
121.06541	7.2
121.10146	2.0
123.04437	13.9
124.05252	3.0
125.06002	1.9
128.06203	1.6
128.13364	1.3
129.07025	2.6
130.07732	1.6
131.04968	1.6
131.08556	5.6
133.06499	2.4
133.10097	2.5
135.04387	2.4
135.08044	4.7
135.11690	1.4
137.05978	9.4
140.04712	3.3
141.06952	1.5
142.07793	1.6
143.08546	3.4
144.08078	3.2
145.06508	2.1
145.10124	9.9
147.04379	4.9
147.07997	2.0
147.11714	1.3
149.05960	3.9
151.03929	3.9
152.04601	2.2
153.05502	1.9
154.06311	1.4
155.07014	4.5
155.08426	2.2
157.06418	1.8
157.10110	2.3
158.07303	5.7
159.08005	2.7
159.11681	1.8
161.06013	2.3
161.09686	1.3
163.03909	2.5
163.07567	8.3
163.11157	2.2
166.06313	2.0
167.07048	100.0
171.06580	1.9
171.11746	2.0
173.09618	10.7
173.13210	1.5
177.05455	2.5
179.07042	3.3
180.07829	2.5
181.04984	27.3
181.06570	2.3
181.06950	1.4
181.08585	16.4
183.06653	6.1
185.13318	2.6
186.06693	2.0
187.14790	1.8
189.09070	2.4
191.10699	3.8
193.08611	2.8
195.10199	15.3
201.09123	17.2
209.08096	2.2
219.10147	19.3
221.06142	1.6
223.13316	3.0
233.08162	2.6
233.11737	9.6
234.23706	1.3
235.13266	3.2
251.12813	43.5
263.06943	1.4
319.11823	2.9
339.88443	1.2
355.15491	2.5
387.14319	1.9
405.13184	3.4
405.31537	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	405.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05512	1.4
55.64491	0.7
56.79487	0.7
64.47858	0.8
65.03941	2.4
65.40061	0.7
66.69842	0.7
67.05499	2.1
69.07064	3.9
69.74513	0.8
71.49085	0.9
76.91436	0.8
78.04697	2.2
79.05502	8.1
81.07047	3.3
83.08596	0.9
85.02915	1.5
91.05479	5.6
93.07052	4.2
95.04968	7.3
95.08607	2.9
97.06554	1.3
103.05472	4.2
103.15702	0.8
105.07040	4.9
106.04190	1.0
107.04956	33.6
107.08591	1.9
109.10110	0.8
115.05460	2.1
117.07025	1.7
119.08574	3.1
120.05685	1.0
121.06499	3.3
121.10117	1.4
122.03726	0.8
123.04444	12.7
124.05219	3.1
125.05975	1.6
128.06247	1.0
129.06975	1.7
130.07796	0.9
131.08549	3.5
133.06506	1.0
133.10138	1.2
135.08072	6.0
135.11736	0.7
137.05995	2.4
140.04706	3.1
143.08627	3.8
145.10114	6.4
149.05959	0.9
151.03915	2.2
152.04660	2.5
154.06227	1.8
155.07004	4.1
155.08502	0.9
157.06458	1.0
158.07291	6.4
159.08069	2.4
159.11664	1.2
163.03934	0.9
163.07561	6.5
163.11237	1.9
165.05495	0.9
166.06316	1.3
167.07045	100.0
168.07401	1.2
173.09624	9.4
175.07515	1.8
177.09132	1.3
180.07768	1.2
181.04964	21.0
181.08575	12.5
183.06528	5.6
185.13257	1.4
186.06772	1.3
187.14743	1.4
189.09134	1.1
191.10698	4.5
195.10178	17.2
201.02972	0.8
201.09105	18.1
201.16495	0.8
207.10144	1.0
211.03763	0.8
211.09608	1.2
219.10178	21.1
221.11682	1.0
223.13159	3.8
233.11742	11.4
251.12807	40.4
269.67996	0.9
323.12802	1.0
401.48618	0.8
405.26682	1.5
405.31454	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
60.20626	1.4
65.03951	8.8
67.05499	4.6
69.03433	3.0
71.22530	2.5
79.05488	7.7
81.03419	5.2
81.07059	2.0
82.04204	2.0
85.02911	5.7
91.05485	4.7
93.03426	2.2
94.04158	1.9
95.04973	4.4
97.06565	2.6
103.05476	2.0
103.88630	1.2
105.07053	2.6
107.04962	18.2
108.02142	2.0
109.06517	4.1
110.03674	3.7
115.05451	5.3
117.07009	3.2
119.04979	1.7
122.03671	5.1
123.04435	5.0
124.05231	2.5
125.06014	4.8
125.23820	1.4
128.06227	2.4
129.06992	9.3
131.04930	4.5
133.06453	1.7
137.05980	38.8
138.03098	2.3
142.02631	4.0
143.04955	6.0
144.05727	1.4
145.06508	5.3
147.08040	2.3
149.06027	1.9
151.03920	21.5
151.05025	2.6
151.07593	2.3
153.05470	4.1
155.05984	2.3
156.87910	1.3
157.06509	9.3
159.08006	1.5
160.05234	2.4
161.05992	6.7
163.07454	1.6
165.05496	4.3
167.07051	38.9
171.04420	5.4
171.06557	4.9
172.05205	9.9
173.06023	5.5
174.06801	2.4
175.07562	5.4
176.04686	2.0
177.05392	1.9
177.06888	1.3
177.08957	1.1
179.07091	1.4
181.04959	100.0
182.05290	2.5
187.07574	6.2
188.04694	1.8
189.05441	3.7
189.09142	6.9
191.07016	5.0
193.08621	2.2
195.06488	3.2
200.04607	1.9
201.05476	2.4
203.07034	16.6
205.06871	1.7
205.08641	5.3
206.05730	2.5
218.05676	6.5
219.06354	2.0
221.08015	7.7
233.08098	54.7
237.09102	1.5
245.08134	2.3
247.07381	1.3
249.09235	1.8
251.06996	1.4
251.09218	2.3
263.09180	10.3
265.08771	2.0
277.08716	3.2
282.00583	1.4
293.08102	1.9
295.09558	1.4
301.06931	1.5
309.11218	4.0
316.09705	1.6
319.09781	1.4
325.10757	3.1
337.10681	5.4
341.14084	2.0
342.11005	1.7
351.12207	3.4
357.13342	10.6
369.13297	6.2
387.14377	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01868	2.0
55.05503	1.7
65.03938	10.1
67.05509	6.3
68.58913	1.3
69.03423	2.9
69.07048	2.2
69.51373	8.6
76.83317	1.2
79.05503	9.7
81.03405	4.7
81.07043	4.0
82.04198	3.4
85.02910	4.8
91.05493	7.6
93.03417	3.5
93.07014	3.0
94.04171	2.2
94.46800	1.1
95.04973	3.3
95.08583	5.5
97.06539	5.3
98.10761	1.3
103.05469	2.1
105.07048	7.3
107.04971	20.0
107.08588	4.8
108.02094	1.6
109.06518	3.3
109.10143	1.6
110.03634	4.2
111.04465	2.2
115.05474	7.4
117.07050	3.3
119.04916	2.0
119.08570	6.1
121.02856	1.3
121.04012	1.5
121.06486	1.8
121.10123	3.1
122.03638	4.8
123.04447	2.6
124.05201	3.5
125.05991	4.4
127.03918	1.4
128.06187	2.4
129.06985	9.6
131.04939	3.5
131.08554	4.6
133.06523	3.4
133.10115	2.6
135.04405	2.4
137.05981	45.6
138.03105	2.4
140.04691	2.0
142.02620	2.4
143.04898	8.0
143.08510	2.6
144.05635	3.0
144.08046	2.3
145.06467	6.2
145.10106	7.7
147.04379	3.9
149.06003	3.4
149.07437	1.9
149.13261	1.4
151.03935	20.1
151.05037	2.7
152.04625	1.4
153.05504	3.7
157.06500	10.8
157.10114	4.2
159.04448	1.7
159.08095	2.5
159.11696	5.5
160.05211	2.3
161.06024	8.6
161.09662	2.2
161.13257	1.8
163.04054	1.9
166.02681	1.3
167.07045	39.7
169.10193	1.7
171.04378	5.1
171.06535	3.2
171.11702	2.5
172.05200	8.4
173.05978	4.1
173.13220	2.7
175.07561	5.0
177.05458	1.9
177.16350	1.3
179.07112	2.4
181.04965	100.0
181.08556	2.7
182.05312	1.5
183.11710	2.0
185.13277	4.3
187.07524	6.1
187.14804	8.7
189.05441	4.9
189.09056	9.0
189.16298	1.9
190.06308	1.6
191.07039	4.1
193.08562	2.4
195.06520	6.3
199.14764	2.0
199.76698	1.6
200.04724	3.5
201.05515	1.9
203.07008	15.3
205.08548	4.7
207.06534	1.5
211.14801	1.3
213.16370	2.4
215.06946	2.2
218.05750	6.5
219.06352	2.3
219.10216	2.2
221.08031	7.8
223.07689	1.7
233.08096	51.7
234.08557	1.8
235.09810	1.6
239.17944	2.1
249.09201	2.0
250.06100	1.5
251.09248	3.1
260.69040	1.3
262.06042	1.6
263.06799	1.7
263.09256	8.7
277.08606	3.4
293.08096	3.3
295.09515	1.6
297.11151	2.3
301.07224	1.6
307.09476	2.2
309.07602	2.1
309.11243	3.7
325.10687	3.0
327.12314	1.6
337.10776	5.8
341.13913	2.4
342.11124	1.6
343.11456	1.3
351.12256	2.2
357.13364	9.9
369.13501	6.7
375.14267	1.4
387.14420	27.4
405.13583	2.3
405.31458	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95729	0.9
53.03934	2.9
55.01873	2.0
57.03442	7.2
61.02922	5.5
67.05498	1.1
68.31197	0.8
68.99801	1.8
69.03434	16.3
71.01340	1.2
71.04977	2.9
71.49323	1.8
71.70190	1.0
73.02911	2.7
75.04465	1.5
76.85408	0.8
79.05543	0.9
81.03434	11.6
81.04547	1.0
83.04980	1.2
85.02914	56.6
87.04444	1.5
87.33408	0.9
91.03972	1.7
91.05503	1.4
95.04967	2.1
97.02896	14.4
99.04480	5.4
101.47894	0.9
103.03953	1.7
107.04967	1.2
109.02895	18.1
111.00795	4.3
111.04466	1.6
117.05495	2.0
121.72334	1.0
123.04427	1.2
126.03146	10.8
127.03935	13.8
132.08110	2.0
133.06549	1.5
137.05995	1.4
140.63052	1.1
141.05478	43.8
144.08083	4.5
145.04967	15.7
151.03915	1.1
160.07599	6.5
163.03992	1.2
163.06010	3.0
165.05548	1.1
167.07091	2.6
169.04977	100.0
180.39526	1.1
193.08554	1.6
201.07600	1.6
211.06044	2.4
243.13589	1.1
261.12051	1.1
274.39963	1.0
335.11365	1.3
369.17734	1.2
373.12836	3.1
387.19144	7.1
405.14355	1.4
405.20035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00039	0.9
53.03933	3.0
55.01872	3.1
56.87692	1.0
57.03449	7.0
57.07065	1.1
61.01145	1.9
61.02924	3.4
65.03946	1.0
66.03018	0.9
67.05502	1.2
68.99796	1.6
69.03436	16.3
70.06571	1.2
71.04987	2.0
71.24099	2.2
71.24465	1.0
72.04529	6.5
73.02911	3.3
75.04503	1.4
78.03751	1.2
79.05499	1.3
81.03423	11.3
83.04993	1.3
85.02909	55.8
85.06551	2.2
87.04443	2.3
88.02222	9.7
88.91399	0.9
91.03976	2.4
95.04989	2.2
97.02302	1.4
97.02900	16.7
99.04477	5.7
99.05574	4.5
103.03934	5.9
107.04967	2.6
109.02894	18.1
110.09727	1.2
111.00800	4.6
111.04437	1.3
113.06017	2.5
114.03779	2.3
117.05489	3.0
123.04462	1.3
124.07587	1.8
126.03142	10.1
127.03928	18.0
129.05501	1.2
130.03207	1.0
130.06564	1.5
131.05014	1.1
132.04840	4.9
132.08084	3.8
133.27647	1.0
135.04404	1.3
137.05988	2.6
141.05484	40.5
142.08662	6.7
144.07983	1.0
145.04964	15.0
149.05984	1.1
155.03432	1.6
156.09340	0.9
158.06123	1.5
159.05888	3.3
160.07590	8.4
163.03929	3.5
163.06052	1.1
167.07056	3.7
169.04979	100.0
170.05811	5.2
184.09663	2.7
195.06578	1.3
201.07629	1.6
201.10217	2.2
210.11244	1.2
211.05981	1.8
231.02910	3.3
243.08592	2.3
243.11487	1.4
252.12524	1.1
258.80112	1.0
261.12723	3.5
270.13434	2.0
343.16827	1.4
348.30936	1.1
369.18073	4.5
387.19138	6.9
405.08820	1.6
405.16537	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24281	1.7
61.02927	2.0
67.05511	2.1
69.03417	3.5
69.26785	1.8
70.57870	3.9
70.97507	1.8
72.21282	1.9
74.60114	1.7
81.03396	1.9
81.07050	4.9
85.02915	25.0
91.05499	14.4
95.08589	2.1
97.02895	3.5
105.07012	3.2
109.10170	2.4
119.04947	19.8
123.11699	23.7
136.88727	1.8
137.06104	1.8
145.53696	2.0
147.04420	18.9
147.11690	3.4
175.02530	3.8
175.03932	45.3
188.04410	2.2
189.12810	5.5
191.54913	1.8
192.04192	11.3
207.06560	100.0
207.13809	12.4
225.07614	33.1
225.14806	3.2
228.24820	1.9
405.16849	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05016	4.8
71.49083	4.9
81.03439	4.6
81.07058	6.5
85.02904	43.4
91.05479	21.0
97.02902	4.5
102.24720	4.7
105.07030	4.9
107.04974	6.9
119.04960	20.3
121.10194	4.9
123.11710	41.9
133.06464	4.7
147.04410	18.0
147.11646	4.7
163.03894	4.4
167.07013	11.6
175.03940	42.4
189.12758	15.8
192.04193	10.9
199.13249	4.4
207.06529	100.0
207.13841	28.3
224.12842	7.6
225.07593	30.8
225.14963	6.4
234.72212	4.9
235.44769	4.6
312.84750	4.6
384.06268	4.7
404.18533	16.6
421.18356	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	403.3573
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
53.03939	2.3
55.01867	6.9
55.05502	15.5
57.07076	39.8
67.05493	9.2
69.07073	18.4
70.28152	2.2
70.96265	3.8
71.08635	31.2
79.05489	11.9
81.07051	39.6
83.04971	3.0
83.08609	14.8
85.10175	16.2
85.36795	2.0
91.05473	8.2
93.07029	16.4
95.08617	22.4
96.65707	2.1
97.10156	7.0
105.07027	9.7
107.08604	13.4
109.06526	13.5
109.10153	10.5
109.97929	2.0
111.04423	6.8
111.11738	3.1
119.08586	10.3
121.10133	10.2
123.08073	7.7
123.11726	5.0
125.05988	6.6
125.09619	3.4
125.13262	2.9
128.33078	2.3
129.01833	7.2
131.08533	3.1
133.10104	7.0
135.08078	14.7
135.11699	8.0
137.05980	100.0
137.13234	2.2
139.00250	2.4
140.60638	2.1
143.08536	3.1
145.10097	3.2
147.11678	8.7
149.09650	15.2
149.13286	6.4
151.07527	7.0
157.10121	5.9
159.11665	3.9
161.09627	15.1
161.13248	14.3
162.10257	2.6
163.11177	6.3
163.14760	3.3
165.09125	5.9
171.11676	6.5
173.13284	3.7
175.11177	10.7
175.14786	5.1
177.12770	8.4
179.10703	2.8
179.14311	3.2
185.08105	4.4
185.13171	3.6
189.12782	11.0
189.16449	3.6
191.14285	3.3
193.12230	8.9
199.19411	2.6
201.16411	2.9
203.14313	5.3
207.13843	9.9
209.96858	2.3
217.15886	4.7
221.15451	5.4
231.17413	3.9
235.16965	3.9
245.18985	4.3
249.18576	3.4
259.20633	6.6
261.22125	3.1
263.20007	3.3
277.21744	4.4
315.26755	3.9
324.15887	2.4
329.28311	2.5
333.26050	5.2
347.29227	3.5
349.17215	2.2
357.35211	3.2
385.34689	17.6
393.52646	2.3
403.14035	4.5
403.35803	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
55.05517	100.0
57.07061	3.7
67.05517	6.3
69.03403	1.0
69.07076	5.3
69.15498	8.2
69.15923	1.9
71.08617	3.3
79.05508	4.7
81.07067	10.9
83.04934	1.1
83.08627	33.5
85.06547	2.2
86.57771	1.0
91.05471	2.4
93.07050	6.1
95.04962	1.0
95.08615	9.0
96.55125	1.0
97.06571	1.3
97.10181	1.6
99.08116	2.5
105.07018	2.9
107.08619	5.3
107.09231	1.0
109.06523	13.2
109.10152	3.4
111.08096	1.3
119.08548	2.4
121.06482	1.6
121.10162	5.4
122.07276	1.1
123.08078	30.1
129.01808	2.7
131.08559	2.6
133.10150	2.0
135.08064	9.1
135.11635	1.3
135.39037	1.2
137.09595	2.6
139.00252	1.3
139.11194	1.4
139.84943	0.9
145.10130	2.5
147.11694	2.2
149.09624	3.8
149.13242	1.6
151.14842	1.3
159.11731	1.0
161.13260	1.1
171.11789	1.0
177.12750	4.3
179.14310	41.3
182.50087	1.0
185.08142	1.6
193.16020	1.5
205.15904	4.0
256.78705	1.0
263.16504	1.4
265.18118	4.8
291.19522	2.9
303.23215	7.6
319.22751	2.0
320.23431	4.2
321.24225	24.1
322.24582	1.2
347.25797	1.9
373.09192	1.0
403.32056	96.6
404.32294	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34509	3.0
55.05522	5.6
56.96548	4.0
67.05502	9.8
69.07056	4.2
69.61449	13.2
69.61861	4.9
71.52126	2.7
76.84122	3.1
79.05480	9.6
81.07053	7.1
91.05467	7.3
93.07070	6.7
95.04993	5.4
95.08598	6.1
105.07032	8.9
107.04913	7.5
108.05708	5.4
109.06488	3.7
115.05453	3.4
117.07022	3.3
119.08540	7.2
121.06551	4.4
121.41647	3.1
123.04424	4.6
124.05212	8.5
129.07014	3.0
131.08542	5.7
133.06566	3.9
135.04366	3.7
136.05196	13.3
138.06760	9.7
139.06598	4.1
139.07541	25.3
139.46228	3.0
145.10121	6.7
147.04443	3.9
147.08043	3.4
148.05133	3.7
149.05954	4.6
151.06310	5.4
151.07541	100.0
153.05507	3.2
154.06247	10.2
157.10121	4.1
159.08022	7.0
159.11658	3.4
164.08308	4.8
165.05499	23.7
165.09096	14.1
166.06293	19.1
167.07042	19.7
167.08205	3.5
169.07277	3.5
169.08592	19.5
170.07335	2.9
176.08269	5.2
179.10678	24.3
180.07823	5.9
181.04996	15.3
181.08601	52.2
186.10405	15.2
187.07529	10.4
189.09044	3.1
191.10744	5.4
193.08539	3.2
194.09361	7.3
195.06551	5.2
195.08611	3.7
195.10201	30.8
197.08076	13.2
201.09074	5.5
202.09911	34.6
209.11768	14.9
216.11478	7.7
217.12238	72.5
221.11757	3.5
235.13298	26.6
237.14694	3.8
247.13287	10.6
265.14359	13.7
360.72305	3.3
385.19980	4.7
403.13950	4.7
403.24893	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2116
Annotation	Virolongin A
Peak:m/z	Relative Intensity
67.05499	3.7
70.84401	5.7
70.84747	2.9
75.33514	2.6
79.05494	5.8
81.07057	3.6
91.05465	7.9
93.07037	5.3
105.07040	10.2
107.04962	11.3
115.05466	4.7
119.04984	2.9
119.08627	4.0
121.06488	7.4
128.06245	4.7
129.07025	4.6
131.04945	3.2
133.06479	10.1
135.08055	7.0
137.05968	3.1
143.08597	5.9
145.06445	4.3
147.04428	5.7
147.08046	5.9
148.05180	4.5
149.09592	3.4
151.07579	12.7
153.05415	2.8
159.08023	3.5
161.05954	5.5
162.06795	4.4
163.07587	9.7
165.05528	5.9
166.06264	8.6
167.07016	11.4
168.07896	5.3
171.08058	5.0
173.05954	4.8
176.08395	5.7
177.05446	3.5
177.09071	3.4
178.09885	14.9
179.07051	7.3
181.04991	7.7
181.08592	29.5
185.13205	2.7
190.90822	2.9
192.07817	11.9
193.08609	5.5
194.09396	19.5
195.10152	19.4
203.10690	9.7
207.10162	10.9
209.11729	100.0
217.04919	7.4
220.11043	4.2
221.11716	3.6
235.11201	4.5
235.13277	26.6
249.14812	5.6
259.35529	2.9
329.13937	5.1
403.18124	3.4
412.07486	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	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05037	2.8
69.27719	26.5
77.69093	2.9
79.05495	20.3
81.03431	4.8
81.07063	6.8
84.05052	3.4
84.08137	3.4
91.05463	7.1
95.04980	13.7
105.07031	13.9
107.04966	30.7
108.08131	5.8
109.06511	3.4
115.05450	7.0
116.14644	2.9
121.06534	3.5
123.04411	16.9
124.03978	8.2
124.05194	5.4
128.06232	5.2
128.31461	3.3
129.06969	11.5
130.06554	5.2
131.04906	3.9
131.08572	7.5
133.06528	8.5
137.05956	8.4
144.05736	4.2
144.08130	7.0
145.06377	3.9
146.06030	7.3
146.07133	5.0
148.04065	4.7
148.07500	4.9
153.05490	4.6
155.06996	7.8
157.06448	6.1
159.08028	11.4
160.07555	4.8
161.05966	12.2
161.09598	8.6
162.09023	4.3
167.07054	100.0
168.07452	2.9
169.07690	4.2
170.07265	7.8
173.06004	4.3
178.08659	7.2
181.04947	10.0
181.08603	8.7
183.06519	11.1
187.07535	14.0
189.09151	16.9
193.08693	6.2
204.07848	8.4
207.08052	3.7
210.11273	14.8
219.10176	12.4
221.11739	18.1
222.11249	11.7
231.08141	3.7
231.10126	22.2
233.09705	4.2
235.07454	5.0
235.09688	8.2
249.11180	9.5
255.92603	3.4
261.09024	4.3
262.09988	3.4
278.09448	5.8
291.93341	3.5
293.11716	13.9
295.09534	3.6
321.11279	9.3
323.09036	4.0
330.10904	5.3
343.11865	4.4
353.13821	15.6
367.16489	6.6
371.11584	3.7
371.16016	6.3
385.17096	24.7
403.18613	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
70.21024	1.5
71.49216	2.2
78.04744	1.9
79.05484	8.2
81.07072	2.9
85.02900	3.6
91.05495	5.1
95.04968	9.8
95.08575	1.8
103.05451	2.4
105.07035	10.6
106.04189	1.8
107.04957	17.3
117.07011	4.2
121.06512	2.2
123.04436	12.1
124.05235	4.5
125.05990	2.1
128.06248	3.1
129.07043	8.2
131.08580	4.1
132.08084	1.7
133.06525	4.9
137.05965	4.2
144.08080	100.0
146.07214	1.9
147.04321	2.7
149.06001	2.0
151.03889	3.0
152.04659	2.4
155.07062	4.1
156.08087	3.4
157.06461	2.3
159.08096	4.9
161.06003	8.9
161.09590	3.1
167.07045	62.7
167.08452	3.5
169.07637	2.3
170.07304	6.6
170.09735	3.1
175.07471	2.3
181.04974	4.8
181.08633	5.8
183.06593	6.4
184.10014	5.1
187.07527	9.4
189.09140	8.2
192.07903	1.9
193.08620	4.1
195.10274	2.8
197.10638	1.7
204.07872	5.0
216.07950	3.5
219.10204	5.4
221.11765	10.7
231.10149	15.8
233.09650	3.2
235.07581	2.5
235.09711	2.9
239.11777	38.3
249.11284	5.2
250.10092	2.1
260.08408	1.8
261.09253	2.1
278.09360	2.7
282.08932	2.3
293.11743	7.7
321.11200	2.7
342.13501	4.7
343.11853	3.8
353.13974	10.3
354.13852	2.2
367.16641	2.1
371.16040	16.7
385.16962	25.4
403.18683	59.0
404.19073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.1
62.63952	6.8
65.03927	9.4
67.05509	18.8
67.11642	6.7
67.84536	6.5
69.07101	11.3
69.85586	36.2
79.05492	16.7
79.71725	6.3
81.07073	16.4
83.04999	7.3
91.05479	19.6
93.07058	14.0
95.04972	15.4
95.08634	11.5
97.06557	6.6
103.05462	10.3
105.07032	12.9
107.04948	10.6
107.08615	10.5
109.02860	10.3
109.06564	7.3
117.07040	8.3
119.08646	12.1
121.06532	8.8
125.05954	6.7
129.06993	11.8
129.18585	7.4
131.04987	11.9
133.06499	8.1
133.10127	11.4
135.51572	7.3
137.05960	62.7
145.06418	10.4
145.10124	8.7
151.03812	7.5
157.06555	9.2
159.07959	6.5
161.05925	12.0
166.06253	17.2
167.07083	20.3
173.06020	9.8
175.07556	24.7
181.05005	49.2
181.08563	43.0
187.07568	14.2
193.08582	9.7
202.09789	10.1
205.08490	7.1
207.10190	7.0
219.10170	14.4
231.10204	18.2
240.07970	8.9
248.13046	9.6
249.08968	7.5
256.07486	21.2
261.11264	13.0
269.08276	8.1
270.08530	7.2
271.09702	29.4
284.10440	12.3
292.10944	6.8
295.56302	6.5
299.09082	50.1
305.11792	10.8
314.11502	100.0
315.11975	11.8
321.10892	16.7
327.12210	15.3
336.13568	20.2
337.10715	9.6
367.15326	33.4
367.22437	8.9
385.16568	37.3
385.23441	12.3
403.24414	25.5
403.29633	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	403.1749
Annotation	Arzanol
Peak:m/z	Relative Intensity
53.03955	4.4
55.01857	3.4
56.10199	1.6
56.76132	1.9
67.05517	3.6
71.49418	4.5
79.05503	12.4
89.37331	2.0
91.05467	8.8
93.07030	2.6
95.04955	13.6
97.02917	1.9
97.06531	2.1
100.11273	2.3
103.05445	4.8
103.43398	1.9
105.07019	17.0
106.04169	3.4
107.04964	18.1
115.05439	4.2
117.07025	2.4
119.04938	3.0
120.04434	2.8
121.06487	5.1
122.03688	2.5
123.04446	18.8
124.05175	3.8
125.05962	2.9
128.06218	6.5
129.07010	12.5
131.04982	2.1
131.08542	8.6
133.06467	13.1
135.08064	3.0
137.06015	11.2
143.08495	2.4
144.08139	2.6
145.06464	2.7
146.06026	3.1
147.04427	3.2
151.03923	2.9
152.04633	2.4
153.05518	5.5
153.07008	2.9
155.07051	4.9
157.06454	7.1
159.08046	8.6
161.05992	13.6
161.09613	4.8
163.03914	2.8
163.07596	3.0
165.05385	2.3
167.07043	100.0
170.07330	4.8
174.06824	4.0
175.07547	2.8
181.04967	30.7
181.08589	11.0
183.06531	14.0
187.07544	7.7
189.09106	10.6
193.08586	8.4
195.06490	2.5
195.10156	4.3
204.07832	5.6
219.10251	5.3
221.11771	28.1
222.11455	2.6
231.10046	11.2
235.07545	4.2
235.09694	10.1
249.11226	14.1
261.09067	3.0
263.06958	4.7
277.08575	2.5
278.09378	3.4
293.11737	5.3
295.09497	2.5
296.10440	2.3
321.10953	5.8
325.14114	2.8
343.11908	5.9
353.13943	10.0
358.18384	2.3
385.16443	18.4
403.13342	4.3
403.18369	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.05508	11.3
57.07067	5.7
61.89415	3.2
65.60818	2.9
67.05515	19.6
69.07076	16.3
69.54712	2.6
71.04989	10.6
73.78478	2.9
79.05497	28.7
81.07056	39.6
90.51983	2.9
91.05484	55.1
93.07048	50.7
95.04976	7.1
95.08604	23.2
97.26550	2.9
105.07037	100.0
107.08588	42.4
109.06519	58.5
109.10150	17.1
111.08073	6.3
115.05440	8.6
116.06233	4.8
117.07002	27.0
119.08579	84.4
121.10154	21.8
123.08053	3.6
125.38678	3.0
128.06218	15.4
129.07030	21.1
129.07883	4.1
130.07784	5.4
131.08586	63.6
133.10136	77.4
135.08052	16.6
135.11691	24.6
137.09598	7.1
141.06990	10.0
142.07788	33.4
143.08557	46.3
144.09306	11.1
145.10127	88.7
147.08002	7.7
147.11703	15.9
149.09607	6.7
153.06935	8.0
154.07825	5.0
155.08585	15.5
156.09343	20.9
157.10143	61.8
158.10916	18.3
159.11681	34.5
161.09608	3.2
165.07001	7.6
167.08548	8.8
168.09390	6.8
169.10132	27.4
170.10930	9.4
171.11681	27.5
172.12424	6.3
173.09660	5.5
173.13260	36.5
175.14824	12.8
179.08583	10.9
180.07867	3.0
180.09303	6.8
180.67610	3.4
181.10136	11.8
182.10951	8.8
183.11646	17.9
184.12408	3.5
185.13239	17.5
187.14825	38.0
193.10176	8.5
194.10890	11.8
195.11688	20.7
196.12453	7.9
197.13188	18.0
199.14816	21.7
201.12770	10.1
205.10197	3.4
206.10893	8.4
207.11716	15.1
208.12506	4.5
209.13266	30.7
211.14819	12.9
213.12747	5.5
218.66029	3.6
219.11720	4.7
220.12479	5.0
221.13214	18.0
222.14136	5.4
223.14818	10.2
224.96434	3.0
229.27486	3.3
231.11707	6.5
233.13226	4.4
235.14804	10.6
237.16368	11.6
239.18016	7.0
245.13303	5.6
246.13919	4.1
247.14809	3.9
249.16512	4.1
251.18013	8.0
257.13312	4.0
259.14883	4.4
261.16397	5.1
263.17993	5.2
265.19510	10.1
273.16583	4.0
287.17905	5.3
343.24344	3.8
358.26730	3.2
401.28366	34.8
401.38531	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	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.8
55.01873	10.4
55.05500	11.9
61.02924	5.9
67.05489	15.4
68.99780	8.6
69.03427	30.0
69.07044	19.4
70.83491	12.4
70.83823	6.6
71.04984	22.7
79.05478	30.0
81.03405	22.2
81.07063	30.1
83.04973	6.8
85.02902	35.8
87.00829	18.7
91.05499	24.6
93.07046	26.3
95.04965	15.6
95.08564	8.2
97.02906	14.5
99.04443	6.1
103.03988	6.3
104.42629	5.3
105.01824	6.8
105.07017	20.8
107.04950	29.7
107.08575	17.0
109.02885	11.9
109.06511	67.1
109.10165	58.8
115.03931	7.6
115.05496	5.5
117.07021	10.7
119.08568	27.8
121.06508	15.4
121.10146	14.4
123.04427	10.2
123.08051	8.3
124.05215	7.3
125.13257	4.7
126.45843	5.1
127.03911	12.8
127.11179	19.4
128.97986	5.7
129.01834	7.3
129.07033	9.0
131.08575	25.0
133.06552	7.4
133.10129	6.3
135.08063	7.6
135.11678	7.5
136.54445	4.7
137.09584	18.3
141.07051	8.0
144.05733	11.8
145.06456	11.6
145.10115	15.1
147.08031	9.5
149.09627	10.3
151.07523	8.7
151.11208	11.8
152.04720	5.7
156.05618	11.8
157.06432	6.1
158.07263	5.3
159.08083	20.9
159.11737	5.8
165.12732	10.0
167.07034	100.0
169.06372	6.1
173.09607	19.5
175.07578	6.3
177.12787	13.0
187.07574	13.8
191.10614	6.9
193.08513	6.5
195.13826	24.8
202.06223	6.7
205.08540	12.2
208.05231	17.7
211.07433	6.4
217.08572	31.9
219.07939	15.8
219.09998	8.7
220.08867	6.7
221.06093	9.2
229.08777	5.4
236.04674	9.6
243.13835	14.1
247.07568	12.8
247.09724	17.8
248.08340	16.2
254.05701	5.8
261.14804	18.2
262.09784	9.0
263.07175	9.8
263.10690	10.7
264.07809	10.4
265.08426	5.9
269.08057	14.7
271.09665	8.0
275.06967	6.1
276.07874	6.4
279.10175	11.8
282.08929	15.1
291.10025	17.2
293.07803	12.1
299.08926	5.9
302.69406	4.9
307.09732	12.9
310.08160	6.6
315.08624	61.3
323.12848	9.4
328.09305	8.2
330.11032	70.6
331.11618	9.3
337.10712	6.0
339.12268	13.4
343.11780	8.5
351.12207	21.7
356.48621	5.8
368.12344	9.1
369.13370	5.5
383.14819	72.9
401.17078	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34381	2.6
55.05490	3.0
67.05482	4.3
69.03434	3.5
69.61037	18.9
78.64620	2.3
79.05500	22.0
81.07052	7.7
88.89238	2.7
90.64252	2.4
91.05479	11.9
93.07071	2.9
95.04974	5.6
97.06557	3.5
103.05451	4.3
105.07015	6.1
106.04151	3.8
107.04951	29.2
109.02882	2.9
109.06532	2.6
109.10174	5.3
115.05436	7.2
116.06136	2.8
117.07021	5.4
119.04931	3.2
121.06516	2.7
123.04433	4.9
124.05212	9.2
125.06006	5.0
128.06174	4.0
129.06999	6.4
131.04935	3.5
131.08556	9.1
137.05983	6.0
139.04041	2.9
139.83316	2.5
141.06976	7.3
144.05696	8.7
144.08067	4.3
145.06503	5.5
146.05994	2.6
149.05963	2.8
151.03914	4.8
152.04710	4.8
153.05516	4.3
156.05727	14.0
157.06456	5.2
158.07260	4.1
159.08070	16.7
161.05960	6.8
163.03874	6.9
163.39233	2.9
165.07001	3.0
167.07053	100.0
173.05962	4.4
175.07614	3.5
181.05029	13.7
181.06371	3.6
181.08618	3.6
182.07326	3.4
184.05212	3.3
186.06683	3.6
187.07567	11.5
191.07031	4.5
193.08578	3.0
195.06526	3.7
198.06761	2.8
202.06242	7.0
203.08575	3.0
205.06804	4.1
205.08517	14.8
207.06450	6.5
208.05209	18.6
210.06744	6.0
211.07417	4.1
217.08575	35.8
218.07228	6.6
219.08034	10.2
219.10260	7.9
220.08846	6.5
221.05963	6.1
229.08626	4.5
231.08011	9.8
233.09645	5.2
235.07524	3.7
236.04742	8.2
237.09041	3.5
245.09598	3.4
247.07466	9.3
247.09702	24.3
248.08354	11.1
249.05553	3.0
249.08981	3.4
251.10643	3.9
254.05794	6.2
257.04428	4.2
259.07687	2.7
261.09116	3.4
262.09802	4.6
263.10696	7.2
264.07813	7.7
265.08655	3.9
267.06555	7.4
269.08008	20.0
271.09573	6.8
275.07159	6.5
276.07935	5.0
277.08524	4.8
279.10071	8.5
282.08868	8.1
287.09290	4.8
290.09576	4.6
291.10098	13.8
292.07343	5.6
293.08075	8.7
299.09045	5.0
301.07071	3.4
303.04929	8.0
307.09637	9.4
308.10590	7.0
309.11371	3.5
310.08386	8.3
311.12634	3.3
315.08603	56.7
319.09662	6.9
323.12726	17.6
328.09293	6.3
330.10983	69.1
331.11679	14.8
336.09937	3.9
337.10651	8.2
339.12302	5.9
343.11847	21.6
351.12241	24.2
353.10257	5.8
355.16394	5.8
365.21506	3.6
368.12460	5.5
369.13470	3.4
371.14850	4.1
383.14880	48.5
383.22281	5.5
384.15167	3.6
401.11649	10.9
401.16406	25.8
401.22760	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.05511	2.5
57.99961	2.2
65.03947	3.1
67.05512	4.1
70.11529	9.7
78.04702	3.1
79.05499	16.3
81.07072	4.5
83.04938	2.4
91.05505	11.5
95.04967	6.4
102.94981	2.1
103.05444	4.6
105.07004	4.5
106.04168	2.4
107.04956	30.7
115.05463	5.5
116.06241	3.3
117.07007	3.6
121.06532	3.4
123.04437	7.5
124.05222	7.6
125.05956	4.1
128.06245	3.8
129.06998	7.7
131.04958	2.8
131.08572	10.9
133.06459	3.9
141.06996	6.5
143.08508	2.4
144.05731	6.7
144.08134	5.6
145.06490	5.1
145.10146	3.1
149.05894	3.6
151.03897	9.1
152.04683	5.1
153.01848	3.6
153.05475	4.4
156.05672	14.5
157.06494	4.0
158.07263	3.3
159.08058	13.7
161.05949	4.2
161.99663	3.2
163.03920	5.5
163.07567	2.7
167.07047	100.0
169.06419	2.9
172.05199	3.2
173.05969	8.8
175.07555	2.3
177.05505	4.4
179.07014	2.9
181.04980	12.8
181.06393	2.8
181.08641	5.1
186.06816	3.7
187.07558	13.4
187.58115	2.1
190.06302	3.2
191.07065	8.6
191.08591	2.5
193.06364	2.3
195.06557	2.9
202.06239	5.8
203.08533	3.9
205.08630	13.8
207.06477	5.4
207.10217	2.5
208.05205	18.8
211.07634	3.6
214.06136	2.6
215.06892	2.5
217.08603	43.3
218.07285	3.8
219.08069	11.6
219.10161	8.2
220.08817	4.9
221.06017	8.5
229.08649	6.3
230.07156	2.7
231.07993	8.8
231.10121	4.1
233.09666	4.4
234.06638	2.2
235.07599	3.3
236.04681	9.6
236.08261	2.9
239.07030	4.8
247.07504	9.9
247.09709	21.4
248.08308	14.5
249.05537	3.1
249.09215	4.2
251.06931	2.6
254.05675	7.5
260.08203	2.7
261.09097	6.5
262.09946	3.0
263.07071	4.5
263.10672	11.7
264.07721	7.0
265.08725	3.9
267.06540	9.7
269.08185	24.1
271.09702	8.9
272.06735	4.5
275.07047	6.8
276.07809	8.3
277.08490	4.8
279.10052	8.9
280.07254	2.3
280.10703	2.5
281.08014	2.6
282.05762	3.4
282.08768	13.0
284.06686	2.4
285.07590	3.6
287.09167	4.2
290.09247	3.5
291.07141	2.3
291.10110	12.3
292.07263	4.6
293.08038	10.1
296.10394	3.4
299.09192	4.0
301.07126	3.9
303.04980	5.6
305.08185	4.9
307.09549	11.0
308.10394	9.1
309.11261	2.5
310.08417	6.4
311.12555	2.9
313.11020	2.8
315.08618	64.8
319.09595	6.5
321.07605	3.1
321.11212	4.9
323.12762	13.2
325.10855	3.2
328.09488	4.8
330.07190	4.8
330.10992	82.1
330.14935	4.9
331.11789	12.6
336.09869	6.5
337.10590	8.7
339.12189	11.3
341.10443	3.5
343.11731	18.0
345.13116	2.5
351.12256	22.4
352.12930	5.2
353.10147	6.2
356.12469	3.2
368.12491	10.1
369.13184	3.0
371.14786	7.6
383.10385	4.0
383.14957	60.5
401.11902	8.4
401.16217	20.0
401.22931	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14747	2.4
53.03952	4.0
55.97045	2.7
67.10211	2.4
71.45218	3.9
79.05502	18.7
81.07060	3.7
87.96657	3.3
91.05489	7.3
93.39927	2.8
95.04962	3.5
105.07098	3.4
107.04961	33.8
117.07008	6.0
121.06546	4.1
122.09662	3.0
123.04441	8.1
124.05211	7.7
128.06236	5.0
129.07014	9.1
130.06532	3.3
131.08557	8.2
132.94870	2.4
141.06989	5.7
143.47997	2.6
144.05721	6.8
144.08089	22.9
145.06473	5.2
152.04724	4.2
152.34712	2.9
156.05704	12.9
157.06453	5.0
158.09636	2.6
159.08067	15.8
163.03868	3.4
167.07053	100.0
169.06454	4.5
171.09227	12.3
173.05972	5.8
174.06926	2.9
179.07068	3.7
181.05006	5.8
181.08711	3.0
184.05255	5.6
186.06696	3.5
187.07571	9.4
191.06976	3.6
191.08597	4.3
195.06482	3.1
202.06192	5.9
205.08623	15.6
206.45276	2.7
207.06526	6.0
207.10272	4.0
208.05199	19.7
210.06711	4.5
217.08595	39.1
217.10448	4.4
218.07272	5.8
219.08076	12.1
219.10208	7.2
220.08890	4.4
221.05992	6.6
229.08598	5.5
231.08034	10.0
231.10112	3.3
233.06119	3.5
233.09583	7.5
234.06740	3.6
235.07523	4.7
236.04727	8.2
236.08394	6.8
237.09187	3.4
239.08646	3.0
239.93791	2.5
240.04080	2.7
245.09665	2.8
247.07500	12.6
247.09731	20.5
248.08400	13.9
249.09109	5.0
251.15448	10.9
252.16292	7.7
254.05811	11.1
259.07486	3.5
260.08435	2.9
261.09094	4.4
262.09927	5.8
263.06973	3.7
263.10822	7.8
264.07886	8.2
265.08640	3.7
267.06558	7.4
269.08023	22.7
271.09653	9.4
272.06866	4.2
275.07257	3.4
276.07819	10.6
277.08557	5.6
279.10187	10.4
281.11615	3.8
282.05844	3.6
282.08807	18.1
287.09177	4.2
290.09341	5.2
291.10245	12.8
292.07236	4.5
293.08136	9.1
299.09143	7.6
300.06403	5.1
301.07324	4.2
307.09616	9.4
308.10355	8.8
309.11343	2.9
310.08350	10.1
311.12894	3.7
315.08633	68.6
319.09744	9.1
321.07571	5.2
323.12894	12.2
324.10309	4.0
328.09622	3.8
330.10980	71.1
331.11679	12.0
336.09985	4.4
337.10751	6.3
339.12280	7.1
343.11780	20.6
351.12225	34.6
352.12997	6.8
356.12650	3.5
368.12512	8.9
369.13763	5.1
369.18008	20.6
371.14865	6.1
383.14893	68.2
383.19769	4.0
401.15839	15.7
401.20081	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.1
53.03944	4.0
58.48957	1.7
65.03941	2.8
69.25443	20.0
79.05501	15.1
80.05851	2.5
81.07043	2.1
84.77807	2.0
91.05462	7.5
95.04964	5.0
105.07023	4.3
106.04192	1.9
107.04956	26.5
109.02850	3.6
112.75796	2.0
115.05446	5.7
117.07011	4.6
119.08652	2.5
123.04431	5.1
124.05191	5.3
124.43645	2.0
128.06190	3.9
129.07008	11.8
130.06540	3.6
131.08597	7.1
141.07008	5.2
144.05698	10.6
144.08084	9.3
145.06496	4.8
151.03944	2.3
151.07523	2.6
152.04767	4.8
153.05569	2.8
156.05725	13.6
157.06509	4.0
158.06082	3.2
158.07286	3.6
159.08003	13.6
161.05980	3.8
163.03960	3.7
166.33450	2.3
167.07045	100.0
169.06445	3.0
169.07710	2.6
173.05972	6.1
181.04984	28.9
181.06522	3.6
181.08545	3.7
183.06647	2.9
184.05206	2.6
186.06726	3.6
187.07555	11.6
189.05388	2.7
190.06294	3.2
191.08577	3.0
195.06505	4.9
201.09071	2.5
202.06235	5.8
203.08542	4.2
204.07784	3.2
205.06685	3.0
205.08580	15.3
207.06441	6.2
207.08217	2.6
208.05232	24.3
210.06740	4.1
217.08600	30.0
218.07292	7.1
219.08060	13.2
219.10185	12.5
220.08865	4.9
221.05994	6.7
221.09843	2.2
229.08577	5.2
230.07277	5.0
231.08057	10.0
231.10234	5.2
232.09013	2.8
233.05890	2.9
233.09689	6.7
235.07573	3.5
236.04713	6.9
236.08434	3.6
237.05400	2.4
238.10759	4.6
241.08276	2.7
245.09717	4.5
246.06810	2.7
247.07471	14.5
247.09709	24.4
248.08362	13.1
248.10481	2.4
249.09048	3.0
250.06302	3.6
251.07083	2.2
254.05774	8.6
255.06577	2.9
256.07352	2.8
257.04388	2.5
261.09045	5.2
262.10016	6.0
263.07245	4.8
263.10645	9.7
264.07843	4.5
265.08600	5.7
267.06561	8.2
268.03424	2.2
269.08072	22.9
271.06125	2.6
271.09653	5.8
272.06754	4.7
275.06989	6.8
276.07816	6.3
277.08655	6.8
279.10028	12.0
282.05838	4.3
282.08905	14.7
285.07480	3.2
287.09320	3.3
290.09290	4.2
291.10104	13.7
292.07285	5.2
293.08038	10.8
296.10239	3.0
299.09116	5.4
300.06195	2.7
301.07315	2.4
305.07974	3.1
307.09628	10.5
308.10416	6.7
310.08307	7.8
311.12506	2.8
315.08643	74.6
319.09573	6.8
321.07687	3.1
321.11230	4.0
322.11969	2.3
323.09134	4.1
323.12775	12.8
325.10733	3.0
328.09421	4.4
330.10989	77.5
331.11679	11.3
336.10010	3.8
337.10629	8.8
339.12103	10.6
343.11865	17.2
351.12308	28.4
352.13107	2.6
353.10226	7.6
356.12427	4.1
368.12479	10.6
369.13345	3.4
369.18106	2.6
370.42834	2.4
371.14694	3.3
373.16479	2.4
383.14908	58.9
401.15985	19.6
401.20596	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
68.34621	2.1
69.59293	7.1
69.59707	6.6
71.38555	2.3
79.05495	15.8
81.57391	2.4
91.05476	6.6
95.04945	3.7
96.12125	2.2
98.21530	3.0
103.05498	2.5
105.06999	2.0
107.04969	30.1
115.05434	5.0
116.06204	2.6
117.07033	2.2
119.04942	2.3
122.03651	2.8
123.04486	3.5
124.05195	6.5
124.95776	1.9
128.06258	5.5
129.07028	8.1
131.04933	2.3
131.08594	11.8
137.05960	2.8
141.06973	9.4
144.05692	9.3
145.06499	6.1
152.04660	2.7
153.05457	2.5
156.05693	14.3
157.06468	5.7
158.07335	3.6
159.08046	15.6
161.05949	2.4
163.03995	3.5
165.05553	1.9
165.07001	2.8
167.07056	100.0
169.06447	4.8
170.07272	2.5
173.05986	4.6
177.05545	3.2
179.07030	3.8
179.08636	2.3
181.04988	3.9
181.08693	3.0
182.07343	2.4
184.05176	5.0
186.06841	5.4
187.07553	11.7
191.08492	3.3
193.06473	3.0
195.06512	2.3
199.23364	2.1
202.06181	6.2
202.07834	3.7
202.93790	2.0
203.08638	4.2
204.07899	2.5
205.06831	3.3
205.08527	12.5
207.06540	5.0
208.05165	17.8
208.08887	3.5
210.06792	2.6
211.07645	3.7
215.08733	3.5
217.08600	40.4
218.07286	5.2
219.08066	15.8
219.10194	9.5
220.08762	2.6
221.05968	9.3
227.07001	2.6
229.08577	8.0
231.08046	10.0
232.08952	2.5
233.05962	3.8
233.09595	7.3
234.06572	3.3
235.07521	3.9
236.04666	5.7
236.08336	7.3
245.09663	4.5
246.06755	4.4
247.07704	16.5
247.09592	17.7
248.08287	14.5
249.05365	3.2
249.09184	5.3
251.10774	5.3
254.05728	4.2
259.07565	4.4
260.08273	3.1
261.09128	4.8
262.09802	4.1
263.07074	6.3
263.10666	10.7
264.07852	10.5
265.08542	7.2
267.06479	5.7
269.08121	14.8
271.09631	7.2
275.07025	7.6
276.07840	10.7
277.08481	4.8
279.06744	3.4
279.10150	13.6
280.10797	3.5
282.05359	3.6
282.08838	8.0
288.07690	2.5
290.09299	5.7
291.10168	15.4
292.07278	6.6
292.10526	2.4
293.08099	12.5
293.11218	2.7
299.09088	5.5
301.07187	2.4
306.08771	2.4
306.80786	2.9
307.09567	17.5
308.10406	6.3
310.08252	7.6
311.12561	2.4
315.08640	55.3
316.09015	2.5
319.09726	8.4
321.07465	5.9
321.11057	3.5
322.08319	3.1
323.09198	3.9
323.12769	16.4
325.10831	3.7
328.09503	4.2
330.10965	66.2
331.11621	9.2
335.09235	3.2
336.09943	7.5
337.06894	2.4
337.10703	12.1
338.07870	3.1
339.12326	13.3
343.04034	2.4
343.11838	14.1
350.11481	2.3
351.12177	27.0
352.12845	4.9
353.10144	7.6
356.12711	3.5
368.12460	14.5
369.13681	4.9
371.14944	7.8
383.10306	4.4
383.14938	70.4
383.19849	4.2
384.15094	2.5
401.16309	14.6
402.77838	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83003	2.6
64.21687	2.8
67.90610	2.8
70.82211	6.7
72.35603	2.6
78.04688	3.0
79.05486	19.3
81.06985	3.1
89.78577	2.9
91.05472	6.3
91.38011	2.7
107.04958	35.7
115.05445	3.8
116.06255	2.7
123.04401	8.4
124.05209	7.4
128.06224	4.7
129.06972	6.0
131.08571	10.1
141.07001	4.6
144.05673	5.0
145.06421	6.6
152.04707	3.4
156.05713	14.5
157.06471	4.0
158.07254	3.4
159.08043	16.4
161.06039	3.9
163.03871	3.6
167.07037	98.4
172.05182	3.4
173.05971	6.0
179.33870	3.0
181.04924	3.5
181.08720	2.7
187.07520	10.7
190.06229	4.8
195.06473	3.0
195.08076	3.0
202.06223	6.1
203.08640	3.7
205.06635	4.8
205.08569	12.3
207.06464	6.2
208.05132	26.7
208.08868	4.9
211.07513	3.8
217.08591	49.2
218.07278	4.6
219.08081	8.9
219.10005	5.0
220.08806	4.0
221.05977	7.1
229.08597	5.7
230.07243	3.5
231.08105	9.2
233.09581	7.2
234.06853	3.8
235.07635	4.4
236.04659	10.3
236.08374	3.5
238.06261	3.4
245.05910	3.4
245.09537	4.1
247.07474	16.3
247.09708	25.9
248.08337	12.3
249.09090	5.5
253.08519	3.9
254.05769	9.8
261.09055	7.3
262.09940	5.8
263.10645	12.2
264.07831	9.8
265.08618	6.6
267.06570	8.5
268.03662	3.4
269.08081	22.5
271.06476	2.9
271.09659	11.1
272.06827	4.2
275.07031	8.8
276.07797	9.2
277.08487	6.3
279.10202	7.3
282.05502	5.7
282.08893	14.8
287.09067	3.8
291.07156	2.8
291.10074	12.9
292.07336	5.8
293.08023	12.1
299.09146	6.6
307.09674	14.0
308.10416	7.1
309.07632	3.0
310.08228	4.7
311.12839	3.8
315.08609	78.3
319.09821	12.5
321.07632	4.6
323.09274	3.0
323.12787	17.7
328.09521	5.3
330.10962	100.0
331.11646	12.1
336.09991	5.5
337.10510	8.7
339.12271	11.3
343.11728	25.8
350.11572	3.2
351.12335	26.8
352.13022	4.3
353.10156	9.2
356.12473	4.5
368.12561	8.8
371.14722	4.3
383.10291	4.5
383.14920	59.2
401.15985	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1143
Annotation	S-acetylphosphopantotheine
Peak:m/z	Relative Intensity
55.01860	1.0
57.07060	2.6
59.04995	0.7
61.01141	2.6
67.05493	1.3
69.07058	0.6
69.38316	3.0
69.38728	1.6
70.02943	0.8
70.06590	0.8
71.30511	0.8
72.04522	9.9
73.02900	1.7
78.03777	2.2
85.02897	1.4
85.06568	4.6
85.27030	0.5
86.09734	1.3
88.02225	13.1
95.04958	2.6
95.89285	0.6
96.08109	0.7
98.02424	1.8
98.20746	0.7
98.98492	3.0
99.05584	14.9
100.03964	1.4
102.03741	0.7
102.24603	0.6
103.01527	1.0
103.02165	10.1
104.01672	0.6
107.04951	0.9
112.07603	1.8
113.05998	4.0
114.03748	5.1
114.05524	1.0
114.09128	0.8
115.05042	0.8
120.04790	1.4
120.08118	0.9
124.07592	6.4
125.07119	2.2
130.03247	0.7
130.08606	1.8
132.03780	0.9
132.04793	16.8
134.33527	0.6
141.06624	1.9
142.08643	17.3
158.02748	1.8
159.05896	26.9
163.03941	1.8
164.04248	0.7
166.08656	1.0
167.07042	1.6
167.08937	0.7
174.05830	3.9
175.05397	8.0
181.04977	2.1
183.04208	3.6
184.09734	7.5
193.14218	1.2
201.06924	4.8
203.05324	1.2
223.15294	0.6
238.14337	1.5
238.86183	0.6
239.14713	2.4
243.11682	1.7
261.12634	4.8
273.12830	0.6
282.07422	0.9
285.12711	1.5
303.13739	100.0
304.14047	1.7
350.86078	0.7
383.15076	1.0
401.11752	3.8
401.20096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99857	2.5
65.08920	1.7
68.98307	4.6
71.48196	2.4
77.00887	2.2
79.05524	2.5
81.03433	2.5
86.99345	4.8
89.03917	5.7
95.04984	8.2
97.01435	3.7
97.02899	1.7
101.00901	17.1
103.02438	3.0
105.00349	2.1
107.04968	100.0
109.02934	2.1
109.21073	2.0
111.02949	9.3
113.00892	13.9
115.02433	8.1
117.03397	6.9
118.01222	1.6
119.01936	15.5
121.06503	2.9
125.00880	2.1
127.02424	8.0
129.02188	3.0
129.04007	20.3
131.01921	17.3
133.03502	3.6
135.02913	2.2
135.04434	6.8
137.00854	5.0
137.04510	7.2
139.02441	4.2
141.03989	4.4
143.01947	15.6
143.05536	1.8
145.03569	18.5
147.03214	6.7
147.05055	6.1
149.03059	2.1
153.03990	4.8
155.01926	20.4
155.05548	38.2
157.03493	18.1
161.03062	9.5
163.02591	2.4
163.03903	46.9
163.06049	3.5
164.04222	8.7
165.03989	6.0
165.05475	1.8
167.01930	4.6
167.05664	2.2
169.03519	6.3
169.07098	2.4
171.03334	4.3
171.05016	8.1
173.03023	13.3
173.06645	10.2
175.04544	4.0
179.05568	3.2
181.03564	2.4
181.05492	3.3
181.07124	43.7
181.08640	3.5
182.07376	3.7
183.05057	9.9
183.06731	3.9
185.02959	15.8
185.06583	2.5
189.04243	3.0
195.05098	13.7
195.08820	2.9
197.06583	6.9
198.98634	4.7
199.06358	3.8
199.08179	27.7
201.07942	3.0
203.04057	8.4
207.05009	15.7
209.06615	3.6
213.06146	12.6
221.03018	2.5
221.04858	3.3
221.06783	4.3
223.08147	6.2
225.06125	37.7
226.06378	2.2
233.06683	4.5
235.08264	3.0
237.06146	4.9
237.09669	3.0
239.07739	3.1
243.07108	11.0
247.08144	2.9
249.06128	7.7
251.07629	3.6
255.07120	9.9
259.08203	5.6
261.06104	6.1
263.07599	2.2
265.09238	2.3
267.07074	10.6
273.08310	9.9
277.07513	3.0
279.07169	4.8
280.12027	1.8
281.08701	13.4
285.06006	3.5
287.09775	2.8
291.07269	10.1
293.08743	5.4
295.08646	3.4
299.09763	5.3
303.07083	16.2
309.08243	5.4
311.09760	4.2
321.08212	19.0
331.08759	2.7
333.08282	5.1
339.09283	4.4
351.09283	41.9
369.10342	22.7
383.11942	43.7
384.12155	2.2
401.12860	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71054	2.8
52.57554	2.8
55.01868	10.1
55.05491	2.8
57.03437	13.8
61.02928	17.5
62.06089	3.7
69.03430	29.6
69.71828	5.2
69.72243	9.5
71.01355	4.7
71.05012	4.0
72.04510	3.3
73.02920	71.9
79.05502	5.3
81.03433	7.2
81.07041	6.3
85.02906	100.0
87.04477	5.7
87.56920	2.6
91.03963	5.0
93.07022	4.2
95.04970	4.6
97.02896	49.9
99.04472	5.7
100.11267	4.9
107.04951	11.4
109.02877	8.9
109.06519	7.8
109.10201	3.9
115.03931	24.6
117.06947	2.7
122.06042	5.2
122.13643	3.0
127.03922	32.3
131.08530	5.3
133.04973	35.0
145.04961	58.6
156.05711	3.9
163.03912	4.6
163.05995	23.0
167.07019	18.4
182.15390	4.5
183.15735	3.8
208.05135	3.4
211.15211	3.7
217.08594	6.3
223.06004	4.5
241.07086	7.4
247.09763	3.4
254.05888	4.5
259.07990	3.0
269.07999	4.7
315.08655	12.4
330.11014	17.6
331.11520	2.9
350.12592	3.0
351.12277	6.4
368.12952	5.0
383.15045	10.0
400.16058	16.5
401.16235	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	400.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.1
69.14322	18.3
77.00893	1.7
79.05491	4.6
82.80705	1.7
85.02884	2.7
85.06533	1.8
89.03926	17.5
95.04964	4.0
98.97570	2.2
101.00912	3.8
107.04955	54.8
108.05282	14.0
117.03382	13.3
118.03695	2.0
119.01920	3.3
120.52988	1.7
121.06501	3.0
123.04416	2.1
127.02401	3.9
128.02551	2.5
129.03960	2.7
131.01862	3.0
135.04424	18.3
143.00142	2.3
143.01926	2.0
145.02846	12.8
145.03676	2.7
146.03575	8.4
151.03835	2.2
154.69968	1.8
155.01868	2.6
155.05508	5.9
156.05684	4.1
161.02927	2.2
163.03911	100.0
164.04266	14.0
167.07005	3.6
169.03496	7.1
169.07301	2.2
170.03595	5.5
171.04991	3.0
181.07089	6.1
182.07292	5.1
183.04984	2.1
187.04549	5.0
188.04674	6.4
197.02937	4.1
197.06656	2.6
198.03142	2.7
198.06802	2.1
199.01022	1.9
199.08156	3.5
200.08359	2.5
221.02954	3.9
223.08127	2.2
224.08284	3.2
225.06032	4.2
226.06351	3.6
243.07156	2.1
244.07339	2.0
249.02895	2.4
267.07187	2.0
276.07956	4.2
294.08942	7.3
304.09494	2.8
361.06076	2.2
369.10342	3.0
369.21292	2.0
382.05951	2.6
382.10571	23.8
400.11569	15.8
401.12479	3.2
413.13077	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71054	2.8
52.57554	2.8
55.01868	10.1
55.05491	2.8
57.03437	13.8
61.02928	17.5
62.06089	3.7
69.03430	29.6
69.71828	5.2
69.72243	9.5
71.01355	4.7
71.05012	4.0
72.04510	3.3
73.02920	71.9
79.05502	5.3
81.03433	7.2
81.07041	6.3
85.02906	100.0
87.04477	5.7
87.56920	2.6
91.03963	5.0
93.07022	4.2
95.04970	4.6
97.02896	49.9
99.04472	5.7
100.11267	4.9
107.04951	11.4
109.02877	8.9
109.06519	7.8
109.10201	3.9
115.03931	24.6
117.06947	2.7
122.06042	5.2
122.13643	3.0
127.03922	32.3
131.08530	5.3
133.04973	35.0
145.04961	58.6
156.05711	3.9
163.03912	4.6
163.05995	23.0
167.07019	18.4
182.15390	4.5
183.15735	3.8
208.05135	3.4
211.15211	3.7
217.08594	6.3
223.06004	4.5
241.07086	7.4
247.09763	3.4
254.05888	4.5
259.07990	3.0
269.07999	4.7
315.08655	12.4
330.11014	17.6
331.11520	2.9
350.12592	3.0
351.12277	6.4
368.12952	5.0
383.15045	10.0
400.16058	16.5
401.16235	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	399.238
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03947	1.9
54.33750	0.7
55.05509	2.0
56.88396	0.7
57.03422	1.3
57.07076	1.3
67.05511	6.7
69.03431	16.8
69.07076	3.7
71.01265	1.6
71.05001	0.9
71.08582	0.8
79.05499	3.7
81.03424	1.8
81.07059	9.6
83.04972	1.3
83.08626	1.2
85.02916	8.5
85.06557	5.1
91.03989	0.8
91.05481	4.1
93.07051	25.3
95.04962	1.5
95.08614	6.9
95.33755	0.8
97.02875	2.1
97.06538	3.0
105.07019	5.9
107.04985	1.9
107.08594	13.5
109.02889	1.1
109.06518	5.0
109.10165	22.8
111.08085	9.0
117.07023	1.4
119.08590	4.3
121.06496	3.1
121.10162	7.4
122.07246	1.1
123.08104	4.1
123.11735	7.3
125.09644	1.3
127.03852	1.3
131.08551	1.7
133.10130	2.8
135.08066	10.6
135.11696	25.9
137.09622	16.1
144.08086	1.3
145.04965	2.1
145.10130	6.2
149.09636	2.0
149.13286	2.6
153.01817	1.1
159.11711	6.6
161.09604	2.1
161.13289	3.3
163.11177	7.3
167.06950	1.1
173.13297	1.2
175.14850	2.0
176.12050	2.2
177.12775	1.9
177.16396	2.9
186.34480	0.7
191.18008	2.1
195.06508	1.2
201.16376	8.6
219.17450	100.0
220.17792	2.6
237.18465	3.6
253.67522	0.9
271.87421	0.7
339.12988	0.8
355.08124	3.4
381.13544	1.2
399.19183	4.6
399.24014	2.4
418.67654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01862	2.4
55.05514	20.3
57.03438	2.4
57.07077	3.8
59.04988	1.0
61.02918	3.6
65.03934	3.2
67.05508	78.4
69.07072	24.1
69.25355	2.2
69.25774	6.0
71.05007	4.6
71.05323	0.8
71.08607	1.0
73.87193	0.8
76.29675	0.9
79.05497	34.7
81.07059	100.0
83.04975	4.2
83.08623	12.9
85.06553	4.3
86.99287	0.8
91.05486	21.2
93.07047	42.4
93.07642	2.1
95.04958	2.8
95.08611	79.4
96.08937	1.8
97.06531	5.9
97.10162	9.0
98.21331	3.3
99.04468	0.9
99.08117	2.4
99.63922	0.8
105.04514	1.0
105.07043	16.9
107.04987	1.0
107.08591	26.8
109.06514	1.7
109.10160	36.1
111.08100	6.5
111.11739	2.5
113.09650	1.1
117.07026	6.5
119.08596	12.3
121.06547	1.1
121.10144	28.8
123.08098	3.1
123.11713	12.8
125.09636	4.1
131.08566	12.9
133.10139	12.1
135.08051	3.5
135.11696	20.8
137.09618	2.4
137.13275	6.3
139.11197	3.5
143.10693	1.9
145.09056	1.4
145.10135	14.3
147.11679	13.8
149.09624	3.9
149.13268	11.6
151.11192	3.8
151.14853	3.5
153.12758	2.5
157.12239	1.6
159.11719	10.2
161.13275	12.6
163.11183	2.4
163.14836	5.6
165.12778	3.3
171.13806	1.2
173.13278	7.2
175.14836	4.5
177.12697	1.3
177.16388	2.0
179.14317	3.0
181.12396	1.0
184.45392	0.8
187.13416	1.0
187.14787	4.8
191.14183	1.0
195.13733	1.1
201.16437	2.1
209.15392	1.9
215.17972	1.6
223.16991	2.1
223.20627	1.2
233.22704	1.7
237.18448	1.3
243.21074	14.9
261.22168	34.0
262.22177	1.0
279.23196	44.9
280.23596	1.3
297.24246	12.0
303.23187	11.9
305.08643	0.9
310.86230	0.9
321.24243	19.8
322.24384	1.3
396.49677	0.8
399.18362	2.0
399.27863	1.9
399.36407	1.0
417.48172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
57.03437	6.8
61.02919	2.1
69.03437	9.6
71.24419	1.6
73.02905	1.4
75.04493	0.9
81.03423	5.2
85.02906	23.3
85.03388	1.8
87.04483	1.3
91.03951	1.5
95.04983	0.9
96.09348	0.8
97.02907	8.7
103.03972	4.5
103.05473	53.0
105.07048	1.2
109.02898	3.3
117.05537	1.1
127.03923	6.1
130.04129	1.3
131.04938	100.0
132.05215	1.0
133.06490	1.3
145.04976	4.4
148.05208	11.3
161.05978	3.7
161.87036	1.1
163.06145	2.2
163.07549	47.1
175.07571	1.0
185.05150	0.8
194.17928	0.9
201.09166	2.1
237.11246	2.1
399.11734	2.1
401.78314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
55.48599	0.4
67.05521	0.6
69.07061	0.5
69.58140	3.0
81.07037	1.0
85.72431	0.4
90.93873	0.4
97.06542	0.8
98.20841	0.6
105.07043	0.7
111.33851	0.4
127.54444	0.4
128.06192	0.6
128.10306	0.5
130.06567	0.6
143.08569	1.0
144.08087	7.2
146.22208	0.4
154.06497	0.9
155.07268	1.3
156.08002	0.5
168.08083	1.2
170.09660	11.5
180.06512	1.6
180.08022	0.9
186.84973	0.4
186.86958	0.4
194.09619	0.7
195.09169	0.9
206.08148	0.7
206.09833	0.8
208.09984	1.5
221.10748	38.5
222.09309	0.5
222.11400	2.4
223.12303	21.6
239.11794	1.7
263.11816	6.4
265.13379	100.0
266.13718	1.4
349.15448	3.7
367.16580	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
57.03437	22.1
61.02922	15.2
67.05503	6.1
67.79460	3.2
69.03432	35.4
69.07075	51.0
69.48256	3.3
71.01340	7.0
71.48163	5.2
73.02921	85.4
81.03391	9.2
85.02909	100.0
87.04487	6.5
91.03965	5.4
91.05479	10.0
93.07051	3.7
97.02891	68.1
99.04475	6.9
103.03902	4.0
107.04935	4.8
109.02863	7.9
115.03922	35.8
127.02423	3.5
127.03943	32.4
133.04977	43.2
135.04379	5.5
137.26915	3.5
145.02916	5.1
145.04964	48.4
147.04378	5.6
163.03920	30.6
163.06068	23.5
163.07367	5.4
171.82411	3.9
179.34625	4.2
193.04828	4.1
201.11237	9.3
219.01947	3.8
223.05989	5.4
246.04225	3.8
259.08139	7.3
283.95236	3.8
305.06891	4.1
398.18033	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	399.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
62.64429	0.8
64.40402	0.8
68.98284	1.5
70.47517	1.8
70.47886	1.7
73.01798	0.9
74.13281	0.7
75.96432	0.8
76.60096	0.9
79.05478	2.7
81.03402	2.3
83.04983	0.9
85.01355	1.0
86.99323	2.5
89.03912	2.4
93.35213	0.9
95.04955	3.4
97.02885	3.5
101.00901	4.5
102.05523	1.2
103.02441	1.6
105.07003	1.2
107.04958	100.0
109.01419	2.3
109.88768	0.9
111.02959	1.3
113.00834	1.4
115.02419	0.9
117.03365	1.6
119.01928	4.6
119.96785	1.0
123.04482	1.1
127.02420	10.7
129.03992	4.5
131.01936	2.9
135.04433	3.2
136.06175	3.3
137.04474	2.9
137.05998	1.2
141.03993	1.3
143.01892	2.8
145.03494	21.5
147.05032	1.6
151.02399	1.0
153.03954	2.8
155.01901	1.6
155.05534	15.1
157.03479	1.9
159.04956	1.1
161.02939	2.7
163.03885	14.7
163.05966	2.1
164.04257	1.3
165.04074	1.5
169.03474	22.5
171.01347	0.8
171.05022	3.8
173.02936	2.4
173.06566	5.7
177.64919	0.8
179.01973	1.5
179.05576	2.7
181.03452	1.8
181.07101	19.7
183.05029	2.6
185.02914	1.2
187.04518	13.9
193.07056	0.8
195.05029	2.4
197.02963	3.4
197.06558	6.3
199.08179	9.5
203.03812	1.2
203.05431	1.3
205.07133	2.7
207.05038	3.4
209.06413	1.3
213.06059	1.0
215.04028	2.5
215.07693	0.8
221.04831	1.8
221.06627	3.0
223.04539	1.4
223.08170	5.9
225.06126	8.6
231.08620	1.7
233.06581	2.5
233.10158	1.6
237.06212	1.7
239.07684	1.0
243.07217	3.9
244.04305	1.6
247.08099	2.1
249.06142	1.5
249.09682	5.6
250.09377	3.2
251.11320	1.3
251.72878	1.0
267.07086	3.6
275.07779	15.5
277.09305	1.2
279.07242	1.2
285.08240	1.9
293.08698	14.5
297.08124	1.8
303.09290	3.6
311.09720	3.3
321.08179	3.6
329.07150	1.0
329.10757	1.9
335.09625	1.4
339.09219	3.6
353.11154	1.2
357.06723	1.2
369.10349	2.7
381.10303	63.2
382.10455	1.9
399.11725	62.5
400.11783	2.9
417.12137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67712	1.6
52.66328	1.3
53.03942	3.2
55.05511	16.3
57.07078	19.9
63.97214	1.5
67.05507	35.7
69.07069	28.6
69.90032	7.5
71.08626	16.2
71.40270	1.4
79.05489	20.7
81.07059	64.6
83.08627	18.0
85.10185	13.5
91.05466	20.3
93.07047	32.9
95.08611	52.3
97.10159	12.2
105.07032	35.3
107.08603	26.2
109.10162	45.7
111.11723	9.3
117.06982	3.4
119.08578	31.1
121.10149	18.8
123.11697	16.9
125.13280	1.9
131.08549	3.7
133.10126	25.0
135.11690	38.4
137.13246	5.3
144.73024	1.5
145.10141	6.6
147.11691	63.7
149.13255	21.4
151.14801	4.5
159.11720	4.8
161.13254	45.6
162.57666	1.6
163.14801	7.9
165.16379	1.9
173.13292	3.3
175.14845	19.7
177.16397	4.4
187.14865	5.7
189.16415	11.1
201.16423	6.9
203.17981	8.9
215.18037	9.8
217.13579	1.7
217.19540	5.5
221.22633	1.9
229.19499	5.7
229.43361	1.4
230.47874	1.4
233.22649	2.3
243.21124	8.1
247.24336	1.5
257.22693	8.0
261.25836	5.0
271.59296	1.5
275.27252	2.6
285.25830	3.1
287.27277	8.3
299.27042	2.2
315.30655	3.3
341.32019	2.1
347.15579	1.6
373.07230	1.6
382.63864	1.8
395.39706	1.9
397.38300	100.0
398.38660	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	397.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05516	8.7
57.07075	1.8
58.84589	1.7
65.62547	1.8
67.05507	15.9
69.07070	16.8
71.04093	2.2
79.05492	15.8
80.97890	2.1
81.03403	2.1
81.06597	3.0
81.07056	37.8
83.08591	5.9
86.09678	1.8
89.08493	1.7
91.05477	17.0
93.07047	37.3
95.04958	2.4
95.08614	49.2
97.10175	4.5
98.20970	3.0
98.55761	1.7
103.77174	1.8
105.07031	47.5
106.87227	1.9
107.08594	44.6
109.06482	2.2
109.10165	15.0
111.08052	2.0
117.05479	1.7
117.06985	3.0
119.08579	48.9
121.10138	29.3
123.11722	5.3
131.08571	7.0
133.10138	30.1
135.11687	13.0
137.06009	2.5
142.05450	1.8
145.10115	13.7
147.11694	30.2
149.09705	2.1
149.13261	97.4
153.09099	3.7
157.10162	4.0
159.11710	9.9
161.13261	100.0
163.14824	36.4
165.09041	2.0
171.11664	2.9
173.13252	6.2
175.14825	40.3
177.16388	10.1
187.14813	5.8
189.16391	41.4
201.16414	19.8
203.17944	31.0
213.16380	2.9
215.18034	9.2
221.15396	3.1
227.17966	5.5
229.19498	4.6
235.16905	3.7
238.02188	2.1
241.19547	4.5
243.21042	3.8
247.16956	8.2
248.49155	1.8
249.18608	2.1
255.21036	1.9
261.18536	3.1
273.18378	2.4
287.19977	3.9
289.21466	1.9
327.23074	2.0
351.30469	23.4
394.71774	2.0
397.16644	3.1
397.31036	51.1
398.31116	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.3
55.01865	4.0
55.05513	21.9
55.21772	1.1
56.96563	1.6
57.03439	2.2
57.07074	1.5
61.02930	2.3
63.04148	1.3
65.03937	3.4
67.05509	100.0
69.03426	2.6
69.07072	20.6
69.72114	7.2
71.04988	5.4
75.89395	1.1
79.05499	80.0
81.07061	83.6
83.04971	5.2
83.08630	11.7
84.80236	1.3
85.06548	4.6
91.04908	2.2
91.05487	58.0
93.07050	97.2
95.04949	7.7
95.08614	54.6
97.06517	6.5
97.10172	6.7
98.20730	2.0
99.08079	4.5
101.06026	2.6
103.05482	1.5
105.04494	2.1
105.07040	39.5
107.04961	1.9
107.08601	60.0
109.06548	3.7
109.10161	20.7
111.08086	4.7
115.05465	1.5
115.07579	3.4
117.07031	10.4
119.08590	27.2
121.06541	1.2
121.10150	62.7
123.08062	3.3
123.11712	4.0
125.09631	2.8
127.07489	1.5
128.06229	1.9
129.07021	7.3
131.08571	17.8
133.06497	1.4
133.10144	32.9
135.08072	4.3
135.11697	52.7
136.12021	1.6
137.09608	2.2
139.11176	1.6
143.08562	8.1
145.10126	16.4
147.11679	20.7
147.12657	1.8
149.09656	5.2
149.13257	19.4
151.11177	3.2
155.10730	1.3
157.10164	8.1
159.05739	1.3
159.11687	15.0
161.13286	14.1
163.11153	5.7
163.14819	5.5
171.11687	11.9
173.13245	7.4
173.14540	1.1
175.11197	2.9
175.14838	6.7
177.12743	5.3
181.12262	1.9
185.13264	13.9
189.11221	1.5
189.12769	2.9
189.16513	1.5
195.13853	4.1
199.14822	4.1
203.14421	1.6
207.13902	2.6
209.15379	1.7
213.16440	2.2
221.15416	4.5
231.21158	2.2
235.16968	4.2
241.19545	9.8
259.20593	27.2
277.21655	35.2
291.23065	1.8
295.22809	6.4
301.21512	11.8
319.22690	10.6
390.37152	1.3
396.05661	1.3
397.25677	1.7
397.30573	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	397.1647
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
57.82588	1.2
59.77468	1.4
66.79474	1.2
67.05480	1.5
70.04040	3.8
70.04445	3.0
79.05494	3.4
91.05482	12.7
94.04178	4.1
95.04966	1.4
98.21458	2.1
103.05483	3.2
105.07069	2.4
107.04947	3.7
109.06529	2.3
114.89285	1.4
115.05461	4.0
117.07003	2.2
119.04925	8.0
120.01147	1.5
121.06498	2.6
122.03663	8.5
128.06210	4.2
129.06999	8.9
131.04930	3.3
131.08571	4.0
133.06450	1.4
133.10124	1.7
137.05983	100.0
141.06996	4.1
142.07831	2.3
143.08580	3.8
144.05672	2.4
144.08087	5.0
145.06480	2.2
145.08437	2.0
146.03627	1.4
146.07361	1.7
147.04399	3.6
149.06007	4.2
151.07558	12.0
152.06204	2.3
153.06993	2.9
154.07813	1.8
155.08568	5.0
157.06473	3.7
158.07298	3.6
159.08095	6.9
161.05983	15.3
161.09631	2.3
163.07668	1.4
165.07028	5.5
167.08549	1.4
168.05641	2.4
169.06509	3.8
170.07295	2.8
170.09624	1.9
171.08090	3.8
171.10092	2.2
172.08847	4.7
173.09593	1.8
175.07532	5.8
175.11105	1.4
181.06482	4.1
182.07317	8.0
183.04530	1.7
183.08080	4.0
184.08762	2.5
185.05974	2.7
185.09601	12.4
186.06853	3.1
187.07576	7.8
187.11250	3.6
189.09100	3.8
189.12776	2.3
191.07056	9.9
193.06570	2.2
194.07292	4.6
195.08089	4.1
197.05916	3.0
197.09662	13.4
198.06773	19.0
199.07538	11.4
200.08322	2.0
200.12738	2.1
201.09132	4.1
203.08731	1.6
203.10715	1.2
205.08673	2.9
209.09537	1.9
210.06744	4.5
211.07585	5.5
212.08356	5.3
213.09093	27.3
215.08780	2.3
215.10605	8.7
217.08553	1.9
217.10339	1.7
217.15855	1.6
219.08025	1.7
225.09111	14.7
227.10796	1.6
228.07784	2.0
229.08458	3.1
229.10455	2.0
231.08096	3.6
231.10204	2.7
232.08850	1.7
233.09671	2.4
235.47861	1.4
242.07228	1.5
242.09464	1.4
243.07971	2.8
243.10141	20.4
245.09677	3.9
245.11856	2.7
247.07549	1.6
248.08412	2.0
249.09087	2.9
251.15186	1.6
252.15880	1.6
255.10190	9.1
257.09753	5.7
258.06668	2.2
258.10422	1.6
259.07596	2.3
260.08432	3.0
261.09137	5.1
262.09894	2.5
264.07797	2.8
265.08813	2.6
271.07538	4.1
272.08359	1.9
272.12491	1.4
273.11258	78.9
274.09613	3.1
275.06830	1.4
275.10794	3.3
276.07828	2.7
276.56259	1.3
277.08615	6.2
277.12207	2.6
278.09271	3.1
280.11264	1.3
285.09174	4.5
286.09906	3.1
287.10721	2.2
288.07751	3.7
289.08679	4.3
289.12051	2.7
290.09314	3.2
291.10074	9.1
292.07361	3.7
292.10602	1.7
293.08102	5.4
293.11700	4.7
294.09003	1.5
301.08694	2.7
301.12222	1.6
302.09457	3.3
303.10187	6.1
304.10751	1.6
305.08325	1.6
305.11591	3.4
306.08813	1.8
307.09592	13.1
308.10437	7.4
309.11115	1.9
317.08307	1.5
317.11789	5.2
318.12299	1.6
319.09689	4.0
319.13171	1.7
320.10452	2.1
321.11331	10.3
322.11838	2.0
323.12885	2.2
325.10806	4.0
329.11472	1.7
331.09589	1.6
333.11227	5.2
334.12158	2.9
335.09232	1.7
335.12650	6.5
336.13620	3.8
337.14355	2.7
339.12445	4.9
346.11844	2.2
348.13678	1.6
349.14352	9.2
351.12265	12.9
353.13879	3.7
354.14624	20.1
361.14352	2.2
365.14053	2.9
367.15521	4.4
379.15524	13.3
397.16531	97.3
397.22873	7.3
398.16788	3.8
423.14102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31493	1.1
59.73532	1.0
64.34639	1.0
66.94004	1.0
69.27175	2.5
69.27570	9.7
84.09649	1.1
85.02897	1.3
95.23190	1.0
100.69432	1.0
112.19669	1.1
147.00571	1.3
165.01558	6.5
185.04239	3.6
201.06721	0.9
203.05199	1.3
217.04744	3.4
235.05801	47.1
255.08369	14.7
281.04803	1.1
353.11987	2.1
397.11087	100.0
398.11346	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	396.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	7.3
58.06592	0.8
65.85880	0.7
68.05037	23.3
70.53221	0.9
86.06053	1.0
88.07571	1.0
94.64129	0.8
95.04992	1.3
96.04495	1.6
98.06074	0.8
98.21612	1.8
102.09183	5.3
108.08104	2.0
115.05409	0.9
118.06583	1.1
128.06241	1.6
129.07007	3.6
130.06548	3.6
132.08125	1.3
136.81003	0.7
138.09164	1.6
142.06563	0.9
143.07312	3.5
143.08568	3.1
144.08096	46.2
153.06802	0.8
155.07315	5.2
156.08093	15.5
157.08824	1.5
158.09669	19.1
166.08655	7.4
167.07315	6.0
168.08090	5.5
169.07584	1.4
169.46301	0.8
170.09669	70.8
172.09712	4.8
172.11096	1.5
182.09679	30.9
184.09991	3.0
184.56052	0.8
185.10802	4.1
185.12228	0.8
193.03554	0.9
196.09648	1.4
197.10748	2.5
198.11292	17.6
199.12320	72.3
200.12711	2.2
208.10089	1.4
212.12947	1.0
221.10802	2.8
221.12891	1.0
223.12360	2.8
249.13992	1.0
251.15778	6.1
277.13400	1.0
287.54288	0.9
364.20236	12.2
396.22855	100.0
397.23029	3.5
404.93478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	4.2
68.04684	1.7
68.05036	25.8
70.78766	2.3
72.04526	1.4
82.06572	1.7
95.04967	0.8
96.04462	1.2
102.09219	1.8
104.14696	0.8
108.08131	7.4
117.07014	2.4
120.08166	1.1
128.06206	1.0
129.07018	3.2
130.06558	4.7
131.07350	1.0
132.08105	1.3
138.09180	0.8
142.06555	1.2
143.07338	3.9
143.08568	5.6
144.08096	75.7
146.09688	1.3
154.06541	1.8
155.07304	5.4
156.08093	13.4
156.09305	1.1
158.09668	14.9
166.08629	4.4
167.07327	7.0
168.08116	6.0
170.09666	70.9
171.10161	1.2
172.09738	9.3
172.11136	1.3
178.08640	1.1
182.09680	27.6
184.09976	3.8
195.08870	0.8
197.10773	1.0
198.11284	14.6
199.12328	61.0
200.12773	1.4
204.10339	0.9
210.11322	3.7
217.15994	1.7
221.10912	1.9
221.12900	5.2
223.12456	0.9
225.13852	2.0
225.58710	0.8
251.15697	13.6
277.13339	1.0
319.50238	1.0
321.15820	1.1
341.00827	0.9
364.20227	11.9
396.22870	100.0
397.23074	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	396.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
57.03445	1.6
62.09118	1.4
67.05501	5.4
69.03436	2.1
69.07061	5.6
70.02959	1.7
71.49358	2.7
72.70775	1.6
79.05479	6.7
81.03426	2.8
81.07053	6.5
85.02900	6.0
87.23531	1.8
90.05579	4.1
91.05489	5.2
93.07031	4.5
95.01353	1.7
95.04963	2.3
95.08588	2.9
97.02871	2.9
107.04950	6.7
109.02824	2.1
109.06524	4.6
111.04469	1.9
113.02361	2.5
117.06998	4.5
120.08123	1.7
127.03922	11.2
131.62726	1.8
135.04451	3.1
135.08066	4.6
137.05997	1.9
153.05496	10.6
159.58916	1.6
163.03943	2.7
163.07541	2.6
176.07053	1.6
176.34929	1.6
181.08617	100.0
195.26413	1.6
198.11235	1.6
199.09671	51.7
234.13405	6.7
396.12823	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	396.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05502	1.5
55.30463	0.3
57.03438	1.3
58.99591	0.7
65.03931	0.5
67.05508	2.0
69.07069	1.8
69.33881	2.7
71.62298	0.3
77.50229	0.4
79.05498	1.1
79.10335	0.3
80.05019	0.6
81.07048	2.0
86.00657	0.7
86.99037	0.5
91.05488	1.8
91.73775	0.4
93.07047	4.4
94.28139	0.3
95.04990	0.6
95.08617	2.5
97.06523	0.5
97.10156	0.3
100.02212	0.6
105.00045	0.4
105.07026	1.6
107.04964	0.6
107.08613	1.3
108.48429	0.3
109.06530	0.5
109.10162	1.0
112.02222	0.5
117.07005	1.0
119.08593	1.3
120.08180	0.4
121.06525	0.5
121.10143	2.0
124.02161	0.6
124.03934	0.4
131.08589	1.4
132.01134	0.4
133.06531	0.6
133.10126	0.8
135.11687	0.9
139.03893	1.0
139.11171	0.3
143.08498	0.3
145.10162	1.1
146.02704	0.8
149.05939	0.3
152.01660	11.0
153.05510	0.8
154.07759	0.3
158.02696	0.7
158.07159	0.4
159.08002	0.5
159.11703	1.1
161.09615	0.6
164.01648	0.6
173.09624	0.4
177.99603	0.9
180.01151	8.9
182.02681	0.7
184.04350	0.7
187.11259	0.7
189.09088	0.5
191.10680	0.5
192.01201	0.4
196.00558	0.4
207.10193	1.0
208.00687	0.5
210.02222	2.0
210.05838	0.7
213.27663	0.3
215.10751	0.5
226.01700	18.9
250.05229	0.6
251.12936	0.5
255.78719	0.3
266.04538	0.4
272.33752	0.3
278.04858	0.9
298.07474	0.5
308.13153	1.8
322.10901	0.5
332.13174	0.9
334.14844	0.5
352.15692	0.6
378.13776	3.7
396.14786	100.0
397.14966	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.05513	12.8
57.07079	15.9
61.34879	1.5
67.05509	19.4
69.07067	22.3
71.08633	13.5
77.61250	1.6
79.05493	12.6
81.07060	53.9
81.07536	3.2
83.08614	10.5
85.10183	9.1
91.05475	19.8
93.07041	19.3
95.08607	34.0
97.10171	8.9
105.07028	33.3
107.08584	17.4
109.10175	16.5
111.11701	6.4
114.45659	1.6
117.07028	14.3
119.08587	14.6
121.10152	9.3
123.11695	10.5
125.13194	2.0
129.07013	4.7
130.07785	3.1
131.08565	19.8
133.10121	30.3
135.11700	6.2
137.13249	2.7
142.07800	3.3
143.08578	5.3
145.10127	47.8
147.11690	21.7
149.13252	3.5
151.14870	2.4
157.10123	7.3
159.10475	2.9
159.11700	36.3
161.13260	7.1
163.14844	3.0
165.16408	1.5
170.30309	1.4
171.11743	2.5
173.13274	10.7
175.14870	2.9
185.13257	5.7
187.14787	5.3
189.16454	2.0
199.14818	6.3
201.16304	3.4
213.16417	4.4
215.17903	1.4
227.18028	2.8
241.19481	3.3
247.24240	4.4
255.21159	4.6
395.36722	100.0
396.37170	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05517	11.5
57.06840	1.7
57.07082	20.1
58.27423	1.6
63.95070	1.9
67.05514	26.3
69.07077	27.4
69.77773	4.2
69.78193	7.1
71.08637	15.9
79.05500	18.0
81.07063	67.9
83.08622	16.0
85.10193	10.3
85.42185	1.8
91.05483	26.8
93.07048	23.2
95.04961	2.0
95.08611	45.9
97.10184	10.1
99.11710	2.2
105.07039	39.0
107.08598	24.3
109.10167	24.8
111.11723	10.6
117.07021	17.1
119.08605	16.6
121.10161	10.1
123.11703	10.7
125.13257	2.4
129.07030	3.5
130.07762	4.1
131.08572	21.6
133.10136	33.9
135.11708	10.9
137.13213	3.2
142.07794	3.6
143.08568	9.6
145.10136	60.2
147.11694	33.2
149.13281	4.5
151.14809	2.8
157.10150	12.9
159.11702	48.1
159.13048	2.8
161.13271	7.8
163.14911	3.0
165.16396	2.1
171.11751	4.9
173.13287	13.8
175.14861	3.0
179.17993	2.1
185.13326	6.2
187.14871	7.6
199.14873	7.2
201.16255	2.2
213.16415	6.7
216.67381	2.0
227.17963	4.4
241.19475	4.7
247.24091	2.0
255.21152	5.5
275.27139	2.0
283.24222	2.8
349.61700	2.6
355.43576	1.9
395.36758	100.0
396.37106	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63887	3.4
55.01884	3.4
67.05497	6.7
69.03410	3.3
79.05484	13.4
81.03454	3.0
81.07064	24.4
83.01373	3.0
83.89664	2.6
85.02902	9.7
89.03934	4.1
91.05475	8.0
93.07034	8.1
95.08619	5.3
98.21668	5.9
103.05461	3.4
105.07043	22.0
105.10486	3.0
107.04991	6.1
109.06511	12.2
111.04429	8.4
120.33604	3.1
121.06508	10.1
123.08059	8.6
125.07800	3.1
127.07532	6.0
133.06483	21.5
135.04396	9.3
137.05949	3.1
145.02859	4.9
149.05998	17.8
151.07523	16.8
153.09113	7.8
154.40327	3.2
161.06000	28.4
162.02267	4.7
163.03955	35.5
164.04265	5.2
169.08646	17.9
170.05743	3.8
178.67957	3.1
179.07050	53.7
197.08110	100.0
215.09198	54.5
244.05824	5.0
246.48772	3.5
262.06927	33.1
304.21478	3.2
394.11133	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24150	1.6
55.05514	9.5
57.07069	7.3
59.10140	1.6
67.05505	14.4
67.67782	1.5
68.23598	1.5
69.07075	21.1
71.08620	2.8
71.49443	1.9
79.05502	9.7
81.03408	1.9
81.07057	38.8
83.08617	8.0
86.26800	1.6
91.05484	8.6
93.07053	19.3
95.08613	59.3
97.10165	5.0
105.07047	17.9
107.08601	25.5
109.10155	18.1
111.42982	1.8
117.06982	2.6
119.08578	23.2
121.10147	16.8
123.11701	14.1
128.06267	2.2
129.07018	4.7
131.08575	9.3
133.10118	13.2
135.11707	9.0
137.13257	13.9
143.08588	11.3
145.10152	11.8
147.11703	8.4
149.13272	39.5
149.14401	3.1
155.01062	2.1
157.10130	5.9
159.11725	10.9
161.13287	7.7
163.14850	21.8
171.11719	7.2
173.13287	9.9
175.14832	18.0
177.16402	12.4
183.11671	1.5
185.13336	5.5
187.14856	8.9
189.16438	6.9
191.17996	5.4
199.14853	7.9
201.16446	8.8
203.18034	6.3
213.16383	27.0
214.17056	1.9
215.17982	24.0
217.19569	4.7
227.17993	7.5
229.19582	6.0
231.21085	3.7
241.19533	19.4
243.21098	14.7
255.21117	25.4
256.21484	1.8
257.22729	3.2
269.22577	7.9
351.30283	2.4
359.57852	1.8
361.27029	2.0
393.35199	100.0
394.35611	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	393.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.05515	100.0
57.07061	4.0
64.88275	3.2
67.05505	25.5
69.07050	10.5
69.77490	3.2
70.02635	14.7
71.05006	3.3
74.93399	3.0
76.92383	3.2
79.05501	14.1
81.07056	25.0
81.23730	3.5
83.04958	7.1
83.08624	53.8
91.05472	16.6
92.72840	3.3
93.07044	16.5
95.04956	10.3
95.08619	27.1
97.06520	4.9
97.10164	5.4
105.07027	18.8
105.91048	3.1
107.08631	17.1
109.10163	12.2
111.08108	7.4
119.08601	17.6
121.06482	7.9
121.10148	13.0
123.08073	4.7
125.09626	4.1
129.07036	4.2
131.08556	9.4
133.10129	11.9
135.08008	4.1
135.11702	10.3
137.09613	4.8
143.08511	5.9
145.10139	12.6
147.11584	5.0
149.09634	12.2
151.11188	6.1
155.01036	4.4
159.11687	10.3
163.11223	6.8
173.13272	5.5
183.11687	3.7
189.11226	4.2
223.13223	9.4
257.19080	7.4
275.20068	43.1
293.21069	24.9
347.85196	3.4
393.35605	4.8
405.48901	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	393.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01637	1.2
55.01878	15.6
55.05518	6.1
57.03424	4.3
57.07075	24.4
63.65118	1.1
67.05499	1.7
69.07072	7.0
71.08633	20.4
80.69808	1.2
81.03428	12.8
81.07040	3.4
83.08611	3.8
85.10187	10.9
95.04932	1.8
95.08607	2.9
97.10154	1.6
99.11760	1.2
105.07009	1.1
107.08572	2.1
109.02888	41.1
109.70991	1.2
115.03927	8.7
119.83607	1.1
123.04408	2.3
127.03919	100.0
141.05447	4.5
155.01024	1.4
155.06993	2.7
169.08571	5.3
183.10185	10.7
197.11816	8.8
211.13306	6.6
225.14949	6.9
239.16440	8.1
253.17969	8.3
267.19495	7.6
281.21085	8.0
295.22684	4.4
309.24133	4.0
323.25745	4.2
337.27341	4.5
393.33633	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01854	3.1
55.05512	20.3
57.03439	8.1
57.07079	37.6
65.03924	4.1
67.05503	40.5
67.96229	3.4
69.07076	25.3
69.33815	21.0
71.08624	29.8
75.01503	3.4
79.05491	27.4
81.03378	3.2
81.06596	5.4
81.07057	82.3
83.05002	3.5
83.08625	19.4
84.41577	2.5
85.06517	5.6
85.10178	13.2
91.05479	39.9
93.07046	58.4
95.04975	43.4
95.08607	61.3
97.06525	9.7
97.10162	7.1
98.97873	5.0
98.98470	67.5
103.05449	3.4
105.07030	67.3
107.08600	39.7
109.06510	15.2
109.10159	26.8
111.11678	3.1
115.05468	4.1
117.07028	18.0
117.52410	3.4
119.08587	71.5
121.06493	10.3
121.10141	26.9
123.08054	4.8
123.11695	16.9
128.06216	7.9
129.06984	10.9
130.07813	6.7
131.08592	32.9
133.10132	38.6
135.08060	7.3
135.11674	19.0
137.09691	4.8
137.13293	5.2
141.07013	5.4
142.07787	15.6
143.08556	22.5
144.09331	9.3
145.10124	44.6
147.11708	19.2
149.09610	5.5
149.13216	3.5
155.01036	100.0
155.08569	11.2
156.09348	10.1
157.10123	41.6
159.08095	6.1
159.11681	33.6
161.09590	12.6
161.13242	8.3
167.08614	4.1
169.10165	15.4
171.11685	14.1
172.08839	4.2
173.09525	4.0
173.13300	15.7
175.11179	7.8
175.14822	12.2
177.12630	3.5
179.08527	5.5
181.10139	8.1
182.10957	3.2
183.11644	14.1
185.13251	11.1
187.11188	4.8
187.14807	9.0
188.55025	3.5
193.10155	4.3
195.11771	6.2
197.13202	14.7
199.14853	7.9
201.16351	8.6
207.11574	4.2
209.13303	7.9
211.14763	6.6
213.16353	4.6
219.17578	4.8
223.14763	5.7
225.16278	3.4
228.85457	3.2
239.23787	5.2
241.19463	4.4
253.15935	6.5
267.49820	3.2
282.95105	3.1
361.27338	13.2
393.27649	12.2
393.35211	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01854	3.1
55.05512	20.3
57.03439	8.1
57.07079	37.6
65.03924	4.1
67.05503	40.5
67.96229	3.4
69.07076	25.3
69.33815	21.0
71.08624	29.8
75.01503	3.4
79.05491	27.4
81.03378	3.2
81.06596	5.4
81.07057	82.3
83.05002	3.5
83.08625	19.4
84.41577	2.5
85.06517	5.6
85.10178	13.2
91.05479	39.9
93.07046	58.4
95.04975	43.4
95.08607	61.3
97.06525	9.7
97.10162	7.1
98.97873	5.0
98.98470	67.5
103.05449	3.4
105.07030	67.3
107.08600	39.7
109.06510	15.2
109.10159	26.8
111.11678	3.1
115.05468	4.1
117.07028	18.0
117.52410	3.4
119.08587	71.5
121.06493	10.3
121.10141	26.9
123.08054	4.8
123.11695	16.9
128.06216	7.9
129.06984	10.9
130.07813	6.7
131.08592	32.9
133.10132	38.6
135.08060	7.3
135.11674	19.0
137.09691	4.8
137.13293	5.2
141.07013	5.4
142.07787	15.6
143.08556	22.5
144.09331	9.3
145.10124	44.6
147.11708	19.2
149.09610	5.5
149.13216	3.5
155.01036	100.0
155.08569	11.2
156.09348	10.1
157.10123	41.6
159.08095	6.1
159.11681	33.6
161.09590	12.6
161.13242	8.3
167.08614	4.1
169.10165	15.4
171.11685	14.1
172.08839	4.2
173.09525	4.0
173.13300	15.7
175.11179	7.8
175.14822	12.2
177.12630	3.5
179.08527	5.5
181.10139	8.1
182.10957	3.2
183.11644	14.1
185.13251	11.1
187.11188	4.8
187.14807	9.0
188.55025	3.5
193.10155	4.3
195.11771	6.2
197.13202	14.7
199.14853	7.9
201.16351	8.6
207.11574	4.2
209.13303	7.9
211.14763	6.6
213.16353	4.6
219.17578	4.8
223.14763	5.7
225.16278	3.4
228.85457	3.2
239.23787	5.2
241.19463	4.4
253.15935	6.5
267.49820	3.2
282.95105	3.1
361.27338	13.2
393.27649	12.2
393.35211	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	393.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88304	1.0
53.62886	1.0
55.05523	8.0
57.03447	5.3
57.07082	35.7
66.94344	1.3
67.05511	13.8
69.07072	10.4
71.08642	23.3
79.05486	3.2
81.07061	20.7
83.04985	1.1
83.08624	11.8
85.06541	1.4
85.10184	12.6
91.05470	4.4
93.07045	3.2
95.04974	1.4
95.08618	28.8
97.10197	6.3
98.20724	2.1
98.98476	73.3
99.11729	1.3
105.07038	4.7
107.08598	3.9
108.35580	1.0
109.02805	1.3
109.10164	13.1
109.95225	0.9
111.08094	1.3
111.11723	1.6
112.25318	0.9
119.08594	2.6
121.10165	2.4
123.11761	5.8
125.13159	1.0
131.08615	2.6
133.10124	1.6
135.08070	2.2
135.11725	1.5
137.13251	1.8
143.08582	1.1
143.67566	1.0
145.10120	3.2
147.11641	2.0
149.09752	1.0
149.13306	1.6
155.01054	100.0
157.10089	2.5
159.11699	2.0
165.09106	1.5
171.11755	1.6
177.12810	1.6
183.11807	1.4
217.08904	1.1
239.23718	6.6
361.27417	4.8
393.27609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.05515	20.4
57.07074	16.5
59.05010	3.4
60.99308	2.7
63.90203	3.2
65.03937	4.3
67.05182	3.4
67.05508	36.8
69.03430	5.4
69.07071	21.3
71.04990	2.7
71.08617	5.7
79.05495	38.8
81.03386	3.7
81.07056	57.8
83.05004	5.4
83.08604	11.4
85.06544	4.1
86.50252	2.9
91.05482	55.8
93.07041	85.7
95.04974	63.2
95.08607	53.5
96.44252	2.8
97.06526	15.0
98.20608	2.9
98.98447	11.0
103.05396	3.8
105.04474	4.0
105.07029	95.9
106.07295	4.9
107.08595	53.7
109.06527	15.2
109.10167	27.2
115.05462	9.5
117.07006	27.5
119.08581	100.0
121.06496	15.1
121.10141	34.0
123.08055	8.2
123.11703	10.0
128.06201	9.4
129.07042	17.0
130.07791	13.0
131.08560	43.1
133.06483	4.2
133.10136	47.5
134.10484	3.6
135.08054	7.0
135.11652	23.5
141.06946	6.7
142.07773	25.9
143.08575	35.1
144.09312	11.1
145.10135	70.0
146.10498	5.1
147.08090	4.2
147.11671	25.4
149.09558	6.2
149.13225	8.6
154.07793	4.3
155.01068	21.6
155.08521	17.8
156.09334	10.2
157.10138	56.3
158.10902	5.7
159.08047	6.1
159.11685	47.9
161.09641	16.5
161.13260	7.5
163.11148	4.5
165.06955	3.0
167.08493	4.4
168.09171	3.6
169.10129	25.4
170.10828	6.5
171.11708	24.0
172.12436	4.2
173.09598	4.0
173.13255	22.5
175.11169	10.8
175.14836	15.4
179.08592	8.3
180.09279	3.0
181.10118	13.4
182.10899	4.4
183.11725	20.8
185.13260	12.2
187.11145	10.2
187.14799	9.1
193.10143	5.0
194.10907	6.6
195.11632	15.4
196.12373	4.6
197.13234	14.9
199.14847	8.5
201.12772	3.9
201.16357	7.2
207.11667	5.1
209.13222	13.5
210.14047	3.8
211.14792	7.8
213.16164	3.9
219.17383	4.6
220.12386	3.7
221.13171	8.9
223.14835	9.5
235.14714	5.7
237.16223	6.7
239.14339	6.1
240.15286	3.5
241.15977	3.4
241.19423	5.7
251.17923	3.1
253.15793	4.3
265.19580	4.6
295.20721	3.6
319.20322	4.3
354.36569	3.1
375.26590	6.1
393.27701	12.6
403.59305	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	392.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.7
57.07077	20.2
66.39731	6.8
69.07074	100.0
69.56762	56.5
71.04993	8.6
71.84020	7.5
81.07048	18.2
83.08602	8.5
85.02903	24.5
86.09705	9.2
95.08603	11.8
97.06512	9.7
97.10178	19.8
98.20726	10.6
99.11703	11.2
103.05481	7.3
107.07331	12.1
107.08567	9.8
108.04478	9.2
111.11721	19.0
120.08133	8.6
121.10159	11.3
122.15599	8.8
135.11646	11.8
139.11168	42.8
149.02408	9.6
172.02122	7.4
177.16357	38.0
178.08670	9.5
195.13943	13.2
195.17436	75.5
213.18451	59.9
222.11275	16.3
237.09834	10.0
279.11020	7.2
392.20096	49.1
400.26044	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	392.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.6
57.07068	16.4
59.69642	6.2
69.07075	100.0
70.65680	8.3
70.74796	15.7
70.75137	9.5
81.07048	16.8
83.05016	8.5
83.08630	7.2
85.02896	20.2
89.01888	6.7
91.05458	6.8
95.08606	17.3
97.06569	10.2
97.10155	12.2
99.11725	9.6
107.08582	13.3
111.11726	27.9
121.10115	15.2
125.09618	11.6
135.11641	14.5
139.11185	38.2
146.06097	8.6
149.02339	9.5
150.02664	8.1
154.04971	7.6
173.95195	6.9
177.16370	54.4
195.17479	64.9
209.80438	7.1
213.18472	54.1
222.11270	23.1
236.50291	6.7
237.10001	13.7
346.04874	7.9
370.28616	7.2
392.20035	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	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51306	1.8
69.03435	5.9
71.44086	3.2
71.57421	1.8
79.05505	3.6
81.03427	2.1
85.02914	10.3
88.94110	1.6
91.05499	2.2
96.24471	1.7
97.02869	3.0
103.05490	4.0
105.06993	4.5
107.04969	48.1
109.02869	1.7
121.06559	1.7
135.08047	14.8
137.06078	2.6
149.06042	3.1
151.03911	2.8
152.04498	1.9
163.07561	33.2
167.07057	95.9
177.03392	1.6
180.07886	4.1
195.10193	41.3
195.12929	1.9
213.11241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05505	8.0
56.96563	2.0
57.07080	3.9
60.39400	0.6
67.05500	14.0
69.03407	0.7
69.07068	14.0
71.08620	2.0
71.77741	0.7
75.04944	0.7
79.05494	7.9
81.03426	0.8
81.07056	25.4
83.04997	1.1
83.08618	6.6
91.05479	8.1
92.15366	0.6
93.07041	13.0
95.04985	1.5
95.08607	30.4
97.06510	0.8
97.10165	3.1
97.54406	0.6
98.98454	1.3
103.05452	0.9
105.02123	0.7
105.07029	16.6
107.04967	0.8
107.08597	18.8
109.06505	1.1
109.10155	15.6
111.08043	0.7
111.11710	1.0
117.07024	3.9
119.08585	16.6
121.06509	1.2
121.10141	13.7
123.11701	7.5
124.12151	0.8
125.09572	0.8
128.06238	1.4
129.07013	3.5
130.07758	1.4
131.08554	11.6
133.10133	14.2
135.08089	1.0
135.11702	7.5
137.13269	3.5
139.11205	0.7
141.06973	1.4
142.07753	2.1
143.08568	9.2
144.09323	1.6
145.10130	17.2
147.08002	1.0
147.11688	8.5
149.02338	6.3
149.13275	8.6
151.14838	1.8
155.00943	1.8
155.08510	4.9
156.09334	2.0
157.10123	11.3
158.10916	5.4
159.11703	17.3
161.13231	5.7
163.14821	12.4
165.16376	1.8
167.08504	0.7
169.10103	7.0
170.10956	1.5
171.11655	8.0
172.12456	1.5
173.13261	9.5
175.14836	7.0
177.16385	7.0
179.08647	0.7
180.36549	0.6
181.10168	1.6
182.10950	1.2
183.11690	6.9
183.86847	0.7
184.12479	0.9
185.13275	6.2
187.14818	21.4
189.16406	4.2
191.17995	3.2
193.10141	0.8
194.10857	0.8
195.11644	1.8
196.12555	1.6
197.13234	6.8
198.14093	1.2
199.14803	7.0
201.14600	1.5
201.16386	24.3
203.17986	3.5
205.19566	1.0
209.13350	2.1
210.14069	1.2
211.14836	5.7
213.16368	11.6
215.17934	5.3
217.19589	2.7
223.14908	1.8
224.15643	1.4
225.16405	6.2
227.17964	8.1
229.19432	4.1
235.14792	0.8
237.16310	1.7
239.02242	1.6
239.17924	5.9
241.19504	11.1
243.20992	1.2
251.17964	2.0
253.19518	6.9
255.21086	3.0
257.19330	0.9
257.22388	0.8
265.19589	1.4
267.21082	7.9
269.22617	2.4
275.20193	3.2
279.21060	2.0
281.22589	4.2
293.22781	2.5
295.24164	5.2
307.24155	2.4
309.25787	0.9
320.25021	0.9
321.25925	3.4
335.27420	3.8
348.27859	1.0
349.28937	0.9
355.26297	1.1
373.27228	0.9
391.25214	3.4
391.33575	100.0
392.33887	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02356	4.1
53.03942	7.4
55.01870	10.2
55.05516	92.5
55.23518	3.7
57.03442	33.4
57.07074	5.9
65.03942	5.8
67.05510	43.8
69.07050	7.7
71.04989	3.7
79.05506	26.2
81.07063	26.9
83.08630	41.5
85.06548	29.8
91.05476	21.8
92.90983	3.6
93.07058	27.6
95.04974	61.1
95.08621	18.3
97.06552	5.4
98.21521	9.8
105.06421	4.4
105.07032	20.1
107.04963	7.7
107.07983	3.7
107.08599	21.3
109.06525	78.1
109.10176	10.3
113.06020	95.6
114.65833	3.4
117.07024	10.2
119.08566	12.3
121.10157	7.7
129.06949	6.6
131.08585	16.1
133.10162	10.7
135.08067	51.4
135.11739	5.1
137.09605	4.2
143.08588	8.8
145.10141	15.3
147.08060	4.3
147.11732	7.3
149.02364	25.6
149.09584	9.4
149.13258	4.0
153.03458	4.1
157.10147	6.4
159.11713	7.6
161.09651	4.3
177.12785	4.3
179.23642	3.5
183.11678	3.9
211.14902	4.4
213.16385	4.5
217.15933	13.0
219.13733	4.7
273.18530	33.0
291.19574	100.0
305.27240	3.5
391.33572	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	391.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01851	0.9
55.05516	11.0
56.96551	3.0
57.03424	1.4
57.07080	4.7
65.03933	1.2
67.05509	16.6
69.07069	13.4
71.04987	0.8
71.08612	2.3
79.05497	12.3
81.07057	25.8
83.04987	0.9
83.08619	8.1
85.06538	1.1
91.05475	10.7
92.44295	1.0
93.07049	18.8
93.07625	1.1
95.04962	3.2
95.08608	33.5
97.06522	1.3
97.10162	4.2
98.98468	3.4
99.08122	1.4
105.07041	19.0
107.04984	1.4
107.08594	24.2
109.06525	1.7
109.10156	21.4
111.08089	1.2
117.07024	4.5
119.08577	20.4
120.76668	0.9
121.06502	1.2
121.10149	16.9
123.11707	10.6
128.06172	1.5
129.06999	4.4
130.07794	1.3
131.08597	11.5
133.09157	0.9
133.10136	16.8
135.08073	1.7
135.11703	9.7
137.09581	1.0
137.13268	4.0
141.06979	1.4
142.07774	1.6
143.08563	11.2
144.09428	1.3
145.10126	25.7
147.11690	9.9
149.02362	11.5
149.13260	9.3
153.07021	1.1
155.01027	2.9
155.08516	4.4
156.09357	1.9
157.10147	13.7
158.10916	4.3
159.11716	17.8
161.13255	7.8
163.14851	11.9
165.16357	1.7
167.08577	1.2
168.09282	1.4
169.10162	7.8
170.10902	1.9
171.11702	10.8
173.13275	12.8
175.14839	8.2
177.16458	6.3
180.09259	0.9
181.10164	2.2
183.11716	7.5
184.12489	1.3
185.13264	7.0
187.14835	27.0
189.16400	6.6
191.17926	4.7
195.11720	2.8
196.12437	2.0
197.13232	7.7
198.14027	1.9
199.14824	8.3
201.16391	26.6
203.18050	4.6
207.11806	1.6
209.13234	2.1
210.14027	1.4
211.14850	7.3
213.16371	12.1
215.17957	7.6
217.19534	3.4
221.15291	1.0
223.14838	2.2
225.16351	8.3
226.16930	1.4
227.17981	9.8
229.19437	4.9
237.16425	1.6
239.02307	2.7
239.17921	8.0
241.19522	13.5
243.21204	1.8
251.17929	3.1
253.19505	7.4
255.21144	3.3
257.03494	1.5
265.19479	2.0
267.21082	8.7
269.22696	2.4
275.20090	2.0
279.21082	2.2
281.22610	4.5
283.06219	1.7
293.22580	3.5
295.24164	4.9
307.24203	2.8
321.25708	3.9
334.15128	1.2
335.27383	6.3
348.28275	1.1
349.29315	1.2
355.26175	1.3
373.27728	1.4
391.25339	3.4
391.33594	100.0
392.33792	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	391.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.7
55.01868	13.3
55.05511	37.2
57.03430	10.9
57.07066	12.0
66.04669	3.8
67.05508	50.3
69.07070	35.5
69.30231	6.1
69.30634	25.7
71.08620	7.4
79.05504	38.4
81.03423	9.8
81.07057	100.0
81.07533	5.8
83.04987	4.4
83.08624	27.8
85.06528	3.9
86.09676	5.1
91.05485	25.9
93.07052	35.9
95.04983	11.9
95.08606	42.9
97.06540	15.9
97.10165	15.3
98.20801	6.8
98.66649	3.0
98.98469	46.8
99.08054	3.6
105.07038	34.8
107.04966	10.8
107.08585	26.8
109.06507	25.0
109.10173	18.7
111.08090	6.2
111.11683	5.3
117.07079	6.3
119.08569	23.5
121.06506	6.4
121.10144	28.0
123.08099	7.0
123.11730	10.3
125.09671	4.1
129.06999	5.8
131.08571	14.3
133.10126	23.4
135.08058	5.1
135.11697	12.7
143.08536	11.5
145.10091	16.5
147.11674	17.2
149.02351	46.0
149.09599	3.6
149.13281	13.7
155.01051	52.3
155.08554	4.3
157.10175	9.6
159.11670	10.0
161.09583	5.1
161.13321	3.8
163.14867	6.7
165.07100	4.7
167.03461	4.8
169.10141	7.1
171.11653	5.9
173.13390	5.8
177.12907	4.3
183.11743	6.1
185.09615	3.7
185.13222	6.7
187.14813	8.6
195.13853	4.0
199.14793	5.9
201.16347	6.2
219.21262	6.5
235.20479	3.4
237.22159	16.9
273.72791	3.4
275.20108	41.5
355.26346	6.2
373.27151	9.4
391.28607	6.3
391.33151	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	391.1234
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
69.78304	16.1
69.78703	5.6
76.69964	3.3
83.88850	3.7
85.02940	6.2
90.01971	3.0
95.04961	27.3
117.99110	3.6
123.04415	12.2
137.05962	22.6
149.02417	4.6
151.03903	100.0
193.04994	11.9
211.05939	22.7
239.16953	4.3
271.89508	3.4
288.08447	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1237
Annotation	Eustomoside
Peak:m/z	Relative Intensity
53.03936	2.7
56.42410	2.1
61.02928	4.5
61.08857	2.4
67.05504	4.8
68.25040	2.1
69.03416	7.0
71.04960	3.1
71.06773	5.8
79.52361	2.5
85.02921	12.0
91.92573	2.7
93.15681	2.1
95.04968	34.6
97.02877	7.9
99.94831	2.2
109.02850	3.5
109.06503	6.4
122.42703	2.3
123.00758	3.4
123.04455	23.6
125.02366	70.5
125.03279	5.1
127.03900	3.6
137.05980	10.2
141.01802	3.0
141.05463	8.0
149.02330	9.0
151.03918	68.6
163.03943	11.0
165.05537	11.1
167.03406	7.6
169.05028	6.3
175.03857	3.6
193.04982	7.7
211.06038	100.0
223.02837	2.4
229.07101	41.7
334.45749	2.8
412.71396	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09845	3.6
53.03935	6.1
53.16393	3.9
55.05515	21.4
57.07062	10.5
61.50027	4.6
65.03928	5.4
67.05498	30.6
67.85973	3.6
69.03416	9.2
69.07065	20.3
71.04967	4.9
71.08606	10.1
71.49458	6.8
73.67368	3.7
79.05495	40.0
81.03389	4.4
81.07057	65.4
83.04976	6.8
83.08604	7.8
88.07616	4.7
91.05477	53.3
93.07040	61.6
95.04971	53.9
95.08603	48.2
97.06506	8.3
105.07036	82.9
107.04958	4.1
107.08591	44.8
109.06499	13.6
109.10172	30.9
115.05376	4.7
117.07013	18.3
119.04943	12.0
119.08586	76.1
121.06483	17.4
121.10149	40.7
123.08091	4.9
123.11684	12.1
128.06204	14.3
129.06969	23.9
130.07787	8.4
131.08572	46.9
133.06468	7.5
133.10127	34.2
135.08020	8.8
135.11664	12.0
141.06973	14.4
141.59503	3.7
142.07816	22.1
142.16562	3.5
143.08565	44.3
145.10132	67.2
147.04424	39.1
147.08034	8.9
147.11705	11.0
149.02333	57.9
149.09573	6.6
149.13225	9.4
152.52425	3.9
153.06995	3.5
154.07715	4.8
155.06302	3.8
155.08582	23.9
156.09303	14.8
157.10136	49.6
158.10841	8.3
159.08058	10.0
159.11705	26.3
161.09570	12.8
161.13222	6.7
165.06999	12.8
166.07767	6.1
167.03415	6.5
167.07115	4.9
167.08508	9.5
168.09218	5.6
169.10107	33.0
170.10822	5.7
171.11714	30.4
173.09543	7.1
173.13297	22.5
175.11201	7.9
175.14883	8.0
179.08546	14.1
181.10097	17.6
182.10863	10.9
183.11736	31.7
184.12448	5.0
185.09555	5.8
185.13214	15.5
187.11226	4.8
187.14838	38.3
187.76131	4.2
188.15251	5.2
189.12682	6.4
191.14244	8.7
192.09329	6.3
193.10117	19.0
193.47568	4.1
194.10896	9.8
195.11725	26.9
197.13286	24.3
199.14810	10.9
201.16393	14.9
203.08627	5.0
205.10065	8.6
206.10793	4.3
207.11710	21.7
208.12408	7.7
209.13289	22.3
211.14804	17.9
213.12650	6.3
213.16360	15.3
217.10190	4.2
218.10915	4.7
219.11688	8.8
220.12489	8.4
221.13203	17.4
222.14137	4.5
223.11246	5.7
223.14806	14.3
225.16324	8.2
227.17722	5.4
231.11528	8.6
232.12634	4.7
233.13199	11.7
233.15396	6.1
235.14752	8.5
237.12735	5.3
237.16302	8.3
239.17914	10.5
243.11662	4.8
247.14879	12.0
249.16345	18.7
251.14230	4.2
253.15759	5.8
259.14877	4.8
261.16425	6.7
263.17969	8.3
267.08942	5.4
267.17310	6.0
267.21170	10.2
271.14728	6.3
275.17883	8.5
279.17334	9.1
281.22723	5.0
282.19601	5.2
285.09964	4.3
297.18393	7.5
307.23523	4.0
317.18973	5.5
329.32196	7.7
335.19662	4.5
373.25330	19.4
391.26175	100.0
391.33328	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	391.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14206	2.4
55.14960	2.2
55.54237	2.0
58.79561	2.5
58.85687	2.2
63.02346	2.1
67.05482	2.6
70.69959	3.1
70.70273	3.5
85.02888	2.9
85.87811	2.2
90.51598	2.4
91.05504	3.6
94.42377	2.2
95.04989	27.1
119.04959	5.1
123.04440	13.0
137.06009	14.2
147.04414	5.2
149.02397	7.8
149.06038	4.3
151.03925	100.0
156.49922	2.2
161.05997	4.5
162.06497	2.9
179.07053	3.8
193.04976	11.2
211.06050	25.6
270.78461	2.1
277.14279	2.4
278.91031	2.5
289.93027	2.1
391.15387	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	391.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66117	1.5
55.99983	1.6
56.96559	6.9
70.17599	6.8
70.17955	2.0
70.99836	1.8
81.03419	6.7
82.99865	6.6
84.54675	1.5
85.02915	4.0
85.26358	1.8
89.03909	3.8
91.96592	1.7
95.04870	2.0
97.02907	1.9
97.34705	1.6
98.97602	11.8
101.00893	29.1
107.04943	6.0
110.97582	3.4
111.04426	2.0
113.00869	5.9
115.02434	3.9
116.98608	2.4
117.03381	5.1
119.01944	26.6
127.02443	3.4
128.98535	1.9
129.03967	1.7
131.00056	1.4
131.01967	8.7
135.04401	5.9
137.00865	1.6
139.02386	5.0
143.01913	100.0
144.01979	2.8
145.02568	1.7
145.03467	6.5
151.02443	2.4
153.04001	2.4
155.01920	10.9
155.05548	3.4
156.02512	1.7
157.03482	13.4
161.02975	76.3
163.02504	4.3
163.03893	27.2
164.04280	2.4
167.01945	3.0
169.03494	12.7
171.01451	2.6
171.05046	5.4
173.03024	8.5
175.04527	2.0
176.33942	1.6
177.00981	2.4
179.00726	4.8
181.01939	1.1
181.03481	32.9
181.07002	3.5
183.05055	2.8
184.99580	1.6
185.03014	5.9
187.02788	4.0
187.04521	4.5
189.00777	1.6
189.06039	3.6
191.02043	2.2
193.03624	2.6
199.02879	2.3
199.04556	23.4
199.08270	2.3
201.00836	2.4
203.00725	5.0
203.02327	2.8
203.04015	24.4
205.02219	3.4
211.04541	55.7
219.01875	10.5
220.02170	2.6
220.98019	1.7
221.01743	16.6
221.05003	8.6
225.06087	2.2
227.03958	3.1
229.05606	62.7
231.00285	5.8
235.03352	5.2
235.22516	1.7
237.02765	6.1
241.05573	5.0
245.05060	21.0
257.05194	1.7
259.06717	3.1
263.03073	2.0
271.06738	15.5
273.08255	3.1
275.02750	2.5
283.06604	3.8
286.97552	1.8
301.00797	5.9
301.07739	5.9
315.02551	2.7
319.08719	2.9
331.02167	3.6
331.08939	17.3
349.02975	7.7
349.10107	2.3
359.04755	1.7
361.03244	2.0
373.03128	2.1
391.09647	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09953	3.2
57.18120	2.6
64.25302	3.1
69.28391	4.8
69.28792	19.6
79.05492	6.2
81.03427	3.0
82.23008	2.7
85.02898	6.7
91.05479	6.1
98.21629	3.0
103.05465	8.3
105.07031	52.9
115.05429	10.9
118.04175	5.5
123.67651	3.3
133.06496	51.6
136.04964	2.8
143.06044	3.4
147.04408	10.0
151.66087	3.0
161.05989	100.0
163.03874	3.6
166.08650	4.0
193.08614	74.4
281.21350	2.9
388.57828	3.0
390.11963	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01868	3.0
71.48888	1.8
79.05507	5.6
85.02916	2.8
91.05486	3.9
95.04956	1.3
103.05464	6.8
105.07037	55.6
107.04971	2.6
110.75034	1.1
115.05468	13.3
118.04160	4.5
119.08586	1.4
131.04933	1.8
133.06500	53.0
137.05991	1.4
143.05025	2.0
143.06061	5.0
161.05994	100.0
162.06349	1.8
163.07591	1.9
167.07053	1.5
171.02087	1.9
175.14818	3.5
178.44508	1.2
181.04903	1.9
193.08624	64.7
197.08163	1.4
240.75612	1.2
304.03732	1.1
359.20734	1.1
390.13815	1.4
400.17761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.5
60.41658	0.8
69.03422	1.4
69.92846	4.3
79.05483	0.9
81.03401	0.8
83.04980	1.6
84.08151	0.8
85.02904	2.4
89.03917	4.6
95.04990	0.8
97.02907	1.4
98.97556	2.3
106.06519	1.3
107.04963	6.1
111.04443	2.5
111.07430	1.0
117.03374	5.9
117.48744	0.8
119.01926	1.3
121.06518	1.4
129.03815	0.9
135.04439	14.6
136.04745	0.9
136.05093	0.9
136.06198	10.1
139.03920	1.5
145.02786	9.1
145.04588	0.9
155.05507	2.0
163.03920	100.0
164.04227	3.6
169.03491	1.4
181.01746	0.9
181.07109	2.7
188.04791	0.9
197.02921	1.2
199.08176	1.3
273.32513	0.9
348.07016	1.9
355.10287	2.1
372.08514	2.1
390.09930	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85260	2.5
53.03940	6.0
55.01870	7.3
55.05516	100.0
57.03448	13.7
64.99519	2.3
65.03963	2.4
66.44114	2.3
67.05511	19.1
69.07069	6.0
69.07438	2.4
69.24628	24.7
69.24918	2.2
75.95366	2.2
76.22423	2.5
79.05504	21.5
81.07065	34.0
83.04977	15.5
83.08622	57.5
83.55106	2.4
89.20811	2.4
89.51150	2.6
91.05477	24.2
93.07066	18.7
95.04978	6.5
95.08627	9.5
97.10195	4.5
98.21587	5.0
105.07037	21.2
107.04949	24.7
107.08597	9.7
109.02879	5.3
109.06516	14.3
109.10179	6.5
110.83628	2.6
111.04435	8.9
111.70924	2.6
115.05537	2.5
117.07035	8.9
119.08607	18.2
120.09954	2.6
120.68755	2.7
121.06502	3.3
121.10165	6.1
125.09624	4.7
129.07074	4.6
131.08578	13.2
133.06531	4.3
133.10117	13.0
135.08058	13.4
135.11806	4.0
137.09682	3.1
143.08546	3.8
145.06505	7.1
145.10132	8.0
147.08093	7.7
147.11716	4.5
149.02341	4.3
149.09633	3.4
153.06967	3.1
155.08578	4.3
159.08052	7.0
159.11732	5.1
161.09601	10.4
163.07565	5.6
163.11172	4.6
167.08607	3.3
169.10136	3.7
171.11705	3.6
173.09636	4.5
173.13297	4.0
176.95567	2.6
177.09102	3.9
177.12729	6.0
179.10637	5.4
186.01154	2.7
187.14908	3.8
189.09074	4.9
189.11235	4.2
189.12744	2.9
191.10667	2.7
197.13260	3.3
205.15909	3.1
233.15323	12.9
243.17511	11.5
253.15768	2.7
255.53899	2.5
261.18604	14.7
271.16977	15.1
289.17981	84.3
307.19144	3.1
312.50687	3.0
367.92944	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	389.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56956	3.0
55.01886	4.3
61.58540	3.0
62.07908	3.6
67.05499	10.7
68.35777	3.4
69.03423	9.7
69.30892	8.4
69.31300	20.8
71.05005	34.6
75.34914	4.0
79.05507	8.0
81.03422	4.5
81.07062	10.4
85.02922	14.4
85.06543	16.4
86.09734	4.1
91.05458	9.6
93.07063	5.9
95.04980	12.7
95.08606	8.7
97.02903	6.1
98.20740	6.2
99.04469	100.0
103.05472	6.1
105.07037	11.4
107.04968	7.2
107.08596	18.5
109.02919	7.4
109.06519	8.6
109.10165	9.9
113.09644	4.0
115.05460	7.2
117.07035	6.0
119.04991	4.6
119.08647	4.6
121.10133	5.5
121.16750	3.9
122.03711	4.0
123.04456	4.6
123.08081	12.9
123.11729	10.9
125.05972	6.1
125.09674	6.0
127.03943	5.2
131.04979	8.2
131.08571	6.5
133.10139	16.0
137.06006	16.7
138.09224	4.1
139.11226	5.8
144.08109	18.4
145.06471	7.5
147.08069	5.9
149.13272	8.6
151.03954	16.4
151.07578	7.6
160.07605	5.4
161.07932	6.5
163.07603	5.4
163.99910	4.1
165.05489	4.6
165.12685	4.4
167.07115	15.9
169.12248	21.6
173.13283	6.3
175.07541	48.7
177.05449	6.6
179.07033	5.1
181.04982	10.5
183.13855	21.1
189.09129	6.0
191.14343	6.0
195.06567	4.5
195.10222	10.7
201.09045	4.4
207.06508	19.6
208.07388	8.7
208.47987	3.8
209.13559	4.7
209.15358	11.5
219.10181	32.7
223.12337	10.3
227.16461	76.6
227.18513	3.3
339.16776	4.5
340.48300	3.8
371.15137	6.4
371.19327	19.9
389.15753	15.0
389.20389	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	389.2072
Annotation	Ramiprilat
Peak:m/z	Relative Intensity
54.32355	0.6
68.57036	0.6
69.03450	0.8
69.28558	4.2
69.28976	1.5
70.06597	0.7
72.08179	0.8
79.05490	1.5
80.05010	0.9
81.07080	0.7
81.08390	0.6
83.04993	0.8
86.57298	0.7
87.04450	0.6
91.05482	2.4
93.05798	1.3
93.07071	1.4
94.06570	3.0
95.08605	1.0
99.71172	0.7
105.07046	1.5
106.06580	2.2
107.04943	0.8
107.07295	1.0
107.08590	1.5
107.23120	0.6
108.08131	19.5
109.02916	0.8
115.05467	2.1
117.05762	2.9
118.06556	1.9
119.08585	2.7
120.04476	1.9
120.08107	3.1
121.06519	2.2
121.08900	1.4
121.82026	0.7
122.06102	0.8
122.09690	9.8
123.08132	0.8
124.11139	0.8
130.06570	6.0
131.61696	0.7
132.04469	2.9
132.08102	18.0
133.06496	1.1
134.09671	1.6
135.08072	1.3
136.07573	0.8
136.11107	1.0
137.05949	1.4
138.09166	1.8
142.06528	2.7
144.08110	6.9
146.05971	0.7
146.09641	1.8
147.08066	2.9
148.07553	3.0
148.11185	1.5
150.09148	36.2
151.07446	0.7
151.09880	1.7
152.10736	2.8
158.05930	0.7
158.09677	2.0
160.07591	31.3
162.09125	1.7
164.10735	2.7
167.07027	2.0
168.07912	1.7
174.09259	1.0
175.07538	0.8
176.10684	1.6
182.11813	0.8
192.10268	5.6
196.65616	0.7
212.12802	1.1
224.12840	2.0
225.09917	0.9
226.14461	1.4
227.16449	1.4
236.12872	2.8
249.13911	6.7
250.14575	1.2
254.13885	21.5
265.13379	1.3
267.14926	11.8
268.15427	1.0
285.15936	0.9
296.14984	3.0
321.16003	4.5
339.17044	2.5
353.18607	4.9
357.18286	1.4
371.15424	0.6
371.19666	26.4
389.20746	100.0
390.20923	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	389.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29732	2.6
55.01875	34.6
65.03934	10.7
69.03453	2.9
69.42064	19.2
69.98328	3.3
73.38076	3.0
77.03963	3.0
82.04223	2.7
85.02921	8.1
91.05489	7.0
95.04983	9.8
98.20728	5.9
103.05470	20.6
107.04959	14.9
115.05466	3.9
116.21230	3.4
121.06521	4.9
122.03658	8.1
123.04432	9.8
128.06273	5.1
129.06976	16.1
131.04951	24.7
131.08606	7.7
137.05989	59.5
141.07028	8.1
143.04907	3.1
145.06534	5.0
147.04422	3.7
149.06000	7.7
151.03917	7.4
151.07579	7.5
153.05525	9.9
157.06523	13.2
158.07263	3.2
159.08047	4.5
160.05214	8.1
161.05914	3.5
163.03917	3.2
163.07613	9.9
167.07059	26.9
171.06532	4.7
174.06755	15.9
175.07568	39.9
177.05528	34.3
181.04964	100.0
183.06512	10.8
186.06802	4.7
187.07417	4.0
189.09148	31.2
195.10146	4.8
199.08714	5.1
201.09108	14.0
207.06468	7.7
209.08095	43.2
213.10211	8.4
217.06558	5.1
217.08591	6.0
218.07426	4.5
219.08086	4.0
219.10144	65.3
221.08025	3.7
227.08170	7.3
227.11797	6.3
231.08076	3.7
233.09631	4.1
234.06741	4.6
240.08752	4.8
241.09741	16.7
249.09166	8.9
255.11287	18.2
257.09277	3.6
261.09137	8.0
263.06976	3.3
265.08862	4.5
269.09161	3.7
277.08603	19.7
278.09357	5.3
283.10782	24.4
289.08832	3.7
307.09454	5.7
309.11227	8.3
311.10202	11.6
313.11795	3.7
321.11456	4.5
329.11362	50.3
339.12524	22.6
341.13715	5.0
349.85547	3.4
357.10583	33.0
371.14987	34.3
389.16360	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	389.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34938	3.1
53.35902	2.8
55.01865	3.7
55.05516	8.9
65.03942	8.0
67.05511	7.5
69.03410	4.1
69.07073	8.3
69.50815	22.7
70.24379	3.1
79.05495	11.1
81.07062	13.0
86.59543	3.6
87.97752	3.0
91.05509	17.2
93.03416	12.1
93.07044	11.2
94.04162	4.5
95.04996	6.6
95.08619	10.0
98.21479	7.1
103.05479	6.2
105.07051	25.0
107.04978	8.9
107.08607	10.4
109.10178	7.3
111.04432	8.3
117.07041	6.0
118.97443	3.2
119.04986	6.5
119.08604	18.0
121.10166	8.3
122.03639	5.5
123.11661	5.3
125.03465	3.1
125.06014	13.9
131.08611	8.7
133.06509	10.6
133.10159	14.5
136.05196	5.6
137.06000	100.0
138.06754	10.0
143.08583	26.6
145.06532	9.6
145.10114	17.9
148.05255	8.6
151.03972	28.6
151.05043	6.1
151.07570	27.4
153.05466	21.7
154.06271	17.8
157.10170	4.5
159.08110	4.0
159.11714	6.3
162.06781	7.0
163.07564	6.6
165.05493	9.9
165.09171	21.0
166.06259	22.3
167.07047	9.2
169.08640	20.0
169.10040	6.4
171.08061	28.7
171.11740	4.3
173.13316	6.4
177.05568	4.5
177.09119	9.0
178.09889	5.1
179.07123	4.5
180.07828	8.4
181.05032	10.8
181.08609	59.9
183.11742	7.9
187.14806	19.4
188.08362	18.6
189.16496	5.1
193.12320	5.8
194.09395	9.1
195.06583	5.6
195.10211	43.0
197.08119	12.8
197.13354	5.8
199.14880	8.2
203.10722	59.6
209.08080	7.9
209.11658	18.2
211.14929	5.1
213.16414	8.4
216.11508	11.3
221.11703	34.9
225.11179	3.7
227.18404	3.2
235.05344	3.4
237.16467	4.8
247.13399	7.3
249.16548	4.0
265.14462	16.8
281.22571	5.8
319.24286	4.3
371.18628	4.6
389.32007	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.16
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.43629	1.0
52.10764	1.1
53.03940	2.2
55.01881	39.0
55.21442	1.2
65.03947	10.3
67.05506	5.2
69.03416	1.8
69.19306	1.8
69.19708	9.3
79.05510	4.2
80.16077	1.0
81.07082	2.6
82.04208	2.8
83.98029	1.1
85.02912	6.8
88.20436	1.0
91.05490	4.1
93.07049	2.1
95.04975	6.4
95.08589	1.3
97.06559	4.3
98.21137	5.9
102.18063	1.3
103.05492	18.8
105.07049	1.9
107.04984	10.2
108.02120	2.3
109.06565	1.9
110.03679	6.1
111.04463	2.7
115.05495	1.1
117.07028	3.4
119.08569	1.2
121.06524	5.5
122.03661	5.8
123.04460	6.2
125.06024	3.0
128.06259	3.2
129.07027	11.1
131.04945	23.5
131.08589	3.1
135.04570	1.1
137.06003	43.4
137.09593	1.2
138.03162	3.9
139.49219	1.0
140.04732	2.4
141.07034	3.1
142.02660	2.7
144.05711	1.3
145.06525	5.1
147.04472	1.8
149.05983	11.2
151.03931	2.1
151.05086	1.6
152.04758	2.0
153.05484	4.9
155.07042	1.9
157.06496	8.6
159.04453	1.5
159.08054	1.6
160.05186	3.1
161.06021	2.1
163.03902	1.4
163.07564	7.1
167.07065	27.9
171.06590	4.8
174.06793	5.6
175.07573	17.4
177.05504	36.6
177.09026	2.2
178.06035	1.6
181.04985	100.0
183.06590	6.0
186.06859	1.8
187.07596	3.3
188.08414	2.1
189.07317	1.7
189.09149	15.3
201.09151	3.8
203.08629	1.4
205.08617	2.3
206.07292	1.7
209.08113	57.0
217.06667	2.5
217.08685	6.0
219.08160	3.1
219.10168	20.6
221.08031	1.9
229.55101	1.4
233.09682	2.4
234.06827	4.2
234.10327	1.2
235.07426	1.4
235.09669	2.2
246.06908	1.2
247.07640	1.7
248.08313	1.7
249.09146	4.5
250.09816	1.6
251.07228	1.4
261.09195	5.2
262.06342	1.5
265.08521	1.4
277.08655	10.0
278.09430	3.3
279.10312	1.5
281.11761	2.1
291.10294	1.6
293.11804	2.7
294.08820	1.6
309.11206	5.5
321.11215	3.8
326.11804	1.4
339.12411	10.1
340.12906	1.4
341.13956	4.2
353.13913	1.3
359.14999	2.8
371.15024	13.9
389.16058	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	389.1597
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03944	2.1
55.01880	37.8
63.68184	0.9
65.03941	11.6
67.05505	4.4
69.03439	2.1
69.07086	1.3
71.10696	1.7
77.03912	1.0
79.05514	4.8
81.07044	1.0
82.04206	3.0
85.02914	7.3
85.79088	0.9
91.05491	4.4
93.03416	2.2
93.07038	2.1
94.04208	1.3
95.04982	5.4
95.08601	1.0
96.00401	1.1
97.02873	1.4
97.06524	3.7
103.05479	16.9
105.07047	2.0
107.04975	9.7
108.02124	1.7
109.06522	1.1
110.03684	5.5
111.04466	1.1
115.05457	2.9
115.66624	0.9
117.07037	3.6
121.06514	4.7
122.03709	4.7
123.04431	4.1
124.05206	1.7
125.06026	3.6
128.06253	2.7
129.07034	9.7
131.04945	21.2
131.08627	1.3
133.06496	2.0
134.44649	0.9
135.08046	1.8
137.05989	35.5
138.03123	3.2
140.04646	1.7
142.02603	4.3
145.06485	4.1
147.04430	1.4
149.06020	10.9
151.03917	1.1
151.07581	1.5
152.04700	1.1
153.05431	6.4
155.06976	1.9
157.06531	7.3
159.04411	2.9
160.05205	3.5
161.06004	3.7
163.03911	1.1
163.07555	8.2
164.16019	0.9
167.07053	21.8
168.07680	1.1
171.06631	5.2
171.07904	1.1
173.06012	1.3
174.06772	3.1
175.00343	1.0
175.07555	14.3
177.05484	36.0
177.09006	1.3
181.04971	100.0
182.05321	1.9
183.06552	3.5
185.05997	1.5
187.07622	2.2
188.08311	2.1
189.09114	9.6
191.06964	1.8
201.09134	2.2
204.10165	1.1
205.08667	2.9
207.08192	1.3
209.08110	55.6
217.08614	6.6
218.07249	1.8
219.08148	2.1
219.10182	4.6
221.08078	2.4
234.06860	1.9
235.07568	1.8
235.09737	4.2
247.07491	1.1
249.09135	4.4
261.09189	2.7
265.08572	1.4
277.08740	6.7
278.09305	2.7
279.10092	2.4
281.11743	1.2
283.19647	0.9
289.08456	1.0
293.11783	1.8
307.09680	1.9
309.11212	2.4
313.10742	1.3
321.11340	3.0
339.12360	7.1
341.13907	4.4
359.15024	2.3
371.14981	9.5
389.15979	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	389.1598
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03944	2.8
55.01636	1.7
55.01881	23.2
55.05507	1.2
57.03427	0.9
57.29956	0.8
61.15612	1.1
61.67205	0.9
63.10106	1.0
63.78071	0.9
65.03951	8.3
67.05504	5.3
69.03436	2.5
69.07076	1.1
69.87337	5.1
79.05499	5.0
81.03435	1.8
81.07048	3.0
82.04195	3.3
85.02918	6.4
91.05484	5.7
91.78064	1.0
93.03434	2.7
93.07054	2.1
94.04207	3.5
95.05004	5.4
95.08636	1.6
97.02921	1.4
97.06557	2.9
103.05480	9.8
105.07057	2.7
107.04962	7.9
107.08624	1.5
108.02090	1.5
109.02912	1.3
110.03694	3.2
111.04461	0.9
115.05469	2.0
117.03349	1.4
117.07020	3.8
119.04977	2.1
119.08604	2.3
121.06529	4.4
122.03672	5.4
123.00925	1.1
123.04456	4.2
124.05230	1.8
125.05997	4.0
128.06216	2.3
129.07014	7.3
131.04933	11.3
131.08609	1.6
133.06522	1.9
135.08069	1.8
137.05994	63.9
138.03125	1.9
141.06927	1.4
142.02693	2.7
143.04918	1.0
144.05708	1.3
144.08089	5.1
145.06454	4.4
145.10063	1.0
147.04366	2.5
147.08099	1.8
149.05995	6.0
151.03934	8.5
151.04964	2.1
151.07564	5.5
153.05484	4.8
155.07172	1.0
157.06491	7.8
158.07361	1.5
159.04427	1.3
159.08102	3.2
160.05229	3.0
161.05989	2.7
161.09712	1.2
163.03958	1.2
163.07527	5.6
165.05511	1.9
167.07051	24.0
167.08432	1.4
171.06575	3.2
171.09143	1.5
173.06012	1.7
173.09691	1.4
174.06847	5.0
175.07588	14.5
177.05492	25.9
177.09100	1.9
179.07021	2.3
181.04977	100.0
181.08478	2.1
182.05359	1.4
183.06525	4.2
187.07568	3.4
188.08318	1.5
189.05453	1.1
189.09126	11.3
191.07068	2.3
193.08812	1.0
195.10210	2.1
199.07634	1.1
201.09171	3.5
205.08594	5.1
207.06596	2.1
209.08119	35.9
217.06622	2.0
217.08670	6.9
219.08302	1.7
219.10210	8.8
221.08075	1.6
234.06784	2.4
235.07672	1.5
235.09691	6.6
249.09195	2.7
251.06949	1.4
261.09158	2.3
277.08640	6.6
278.09579	1.1
279.10229	1.8
287.55255	1.0
307.09644	1.2
309.11319	3.3
311.12949	1.2
321.11230	1.9
327.12155	1.0
339.12305	6.7
341.13919	2.9
359.15045	2.9
371.14908	12.6
371.18948	1.2
389.16052	35.9
389.22079	5.1
389.26913	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1441
Annotation	Syringoxide
Peak:m/z	Relative Intensity
67.08916	5.5
69.22829	14.9
69.23248	39.5
77.54029	5.0
79.05502	13.7
80.30210	5.9
85.02896	8.2
90.31838	4.5
91.05473	6.4
95.04967	46.8
107.04977	47.9
109.02897	56.2
121.06520	12.8
123.04454	12.9
149.06012	15.5
151.03915	100.0
151.05022	3.6
153.05437	7.6
165.05455	21.6
167.07225	5.3
177.05508	53.7
195.06523	39.8
204.35600	5.5
209.08018	10.0
251.95128	6.0
321.94611	7.1
325.51270	5.1
385.68063	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	389.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96681	5.4
65.02781	5.6
70.62435	8.1
70.62747	9.1
79.05489	8.1
82.07230	5.3
93.07040	9.6
95.04971	37.4
107.04948	48.8
109.02881	38.9
109.06442	5.2
111.40517	4.9
121.06513	9.8
123.04436	7.2
149.05975	15.5
151.03906	100.0
151.04999	11.1
153.05475	9.8
165.05446	25.2
175.54694	5.9
177.05470	52.0
195.06596	47.4
199.77304	5.1
209.08118	12.7
275.97479	5.9
299.14969	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	389.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88145	6.0
53.03954	7.2
55.01870	6.4
69.75869	33.9
79.05476	15.2
85.02917	8.0
88.30808	5.2
91.05468	8.2
93.07043	7.5
95.04979	57.4
98.20856	11.3
99.16372	5.3
103.05465	11.7
107.04953	61.8
108.63052	5.1
109.02889	68.8
109.06564	8.2
109.11980	5.4
121.06524	15.7
123.04404	11.2
125.02357	12.7
125.06006	6.4
127.38458	5.5
137.05989	7.2
139.03961	6.1
146.23677	6.0
149.05977	25.2
151.03918	100.0
151.05042	3.6
153.05406	11.6
159.04506	5.9
165.05464	28.6
167.07024	11.7
177.05492	62.8
187.03899	5.4
195.06573	49.1
207.34486	4.9
209.08034	13.1
287.66391	5.8
370.42065	5.6
371.18869	13.0
389.13483	8.1
389.19647	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	389.0867
Annotation	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.36261	0.6
67.05513	0.9
71.48792	1.1
79.05505	1.0
81.07072	0.8
88.21050	0.6
91.05489	1.1
93.07037	1.5
104.84167	0.6
107.04978	1.4
107.08586	0.9
131.08572	1.1
133.10159	0.8
145.10164	1.0
157.10130	0.7
158.03624	0.9
167.07091	1.0
173.05969	0.7
175.03831	0.6
177.05511	0.9
180.04459	0.6
181.08534	1.6
182.08885	1.2
183.04344	0.7
183.09073	1.2
185.05934	0.7
203.03326	1.2
204.04169	0.8
211.04335	0.7
214.02586	1.1
217.01169	0.9
227.03407	1.6
229.04922	1.5
232.03699	2.3
233.11684	0.8
241.04903	1.2
242.02121	2.6
245.00766	0.9
248.26450	0.6
255.02899	1.3
257.04477	2.1
260.03143	0.9
269.04416	0.8
270.01617	2.8
271.02243	0.8
273.00357	1.6
275.02393	1.1
275.05527	6.1
283.02380	1.5
285.00903	0.7
285.03848	3.5
287.01843	1.7
288.02646	4.1
297.04102	1.4
298.01120	1.6
300.02505	1.6
300.99811	2.5
301.03152	1.2
303.04910	1.0
313.03433	20.8
314.00571	1.1
315.01355	1.3
316.02087	5.3
326.04111	1.7
327.05130	2.3
328.05496	0.9
328.99341	1.6
329.02924	1.6
329.06448	0.9
330.03323	0.9
331.04501	25.7
332.04977	1.2
341.02921	4.6
342.00327	0.7
343.00754	0.7
343.04633	1.6
344.01636	6.4
345.06149	1.8
356.05362	6.1
357.06149	0.7
359.03992	62.6
360.04233	1.5
374.06354	51.8
375.06540	1.5
389.08688	100.0
390.09119	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	387.2015
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
53.03941	5.9
55.01872	4.6
57.03437	4.8
57.07072	5.5
61.02919	9.6
65.03928	2.9
67.05518	5.2
68.70452	2.5
69.03432	28.4
69.73378	12.3
70.06604	5.3
71.05009	4.0
73.02926	5.7
79.05491	3.4
81.03419	8.7
81.07047	4.5
83.04984	4.6
85.02913	68.3
85.06549	3.6
87.04452	5.1
91.03965	8.6
91.05478	4.2
93.07030	4.3
94.04169	3.2
94.06593	3.2
95.04967	4.0
95.08608	9.8
97.02907	28.9
97.06528	6.3
98.06068	5.9
98.70657	2.1
99.04431	6.3
103.05476	2.3
105.07037	8.6
106.06586	2.5
107.04958	2.5
107.08610	4.7
108.08120	8.0
109.02894	6.5
109.06542	6.8
115.05480	7.1
117.05756	6.2
117.07017	2.5
118.06569	4.9
119.08606	8.1
121.06514	5.3
121.10126	6.6
122.03663	7.3
123.08087	56.1
124.03966	3.8
125.05989	6.9
127.03923	18.0
130.06525	3.2
132.04459	6.4
132.08098	29.4
133.06458	5.3
133.10110	3.6
135.08115	2.1
137.05984	74.2
142.06529	10.3
143.04958	2.5
144.08073	23.2
145.04987	26.3
145.06111	3.1
145.06477	2.1
145.10121	5.2
147.11705	2.2
150.09207	3.8
151.03981	3.5
151.07553	100.0
153.05446	4.3
153.09148	3.0
153.79636	2.2
158.05978	3.5
160.06261	4.8
160.07590	95.0
161.05975	3.4
163.11180	56.8
167.07080	12.1
168.06429	1.8
173.06053	3.1
178.08665	9.0
181.04961	11.5
181.12242	31.4
189.12740	20.2
189.30766	2.2
192.10298	2.8
200.31004	2.5
201.10190	3.9
203.07097	3.5
207.13811	50.0
208.13689	2.3
209.15413	5.6
210.11232	5.1
220.09706	5.2
222.11214	4.7
224.12805	4.7
225.14824	10.3
252.12245	10.4
267.14999	4.2
294.13205	2.4
337.15479	9.3
351.16995	2.8
357.13388	7.7
369.18130	87.4
370.18488	2.7
382.90869	2.3
387.14444	16.8
387.19666	68.0
388.19846	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	387.1916
Annotation	OLODATEROL
Peak:m/z	Relative Intensity
54.57331	1.0
55.05496	1.9
56.05040	1.1
69.03423	0.9
69.36250	7.6
69.36645	2.1
70.06601	0.9
70.13454	1.1
81.07033	1.7
85.02899	2.9
90.59841	0.9
91.05474	0.9
95.04980	1.1
97.02896	0.9
98.06071	1.3
105.07025	1.6
108.08106	3.8
109.06483	1.1
115.05434	4.5
117.05761	6.1
117.07032	1.2
118.06541	6.0
119.08620	1.5
120.04472	1.2
122.03660	1.5
124.03971	5.5
130.06543	2.1
132.04475	6.6
132.08101	28.7
137.05989	17.8
142.06549	8.1
144.08084	12.8
145.05086	1.2
150.09158	1.9
151.07541	2.6
153.05431	1.1
158.06003	1.6
160.07591	100.0
161.07875	1.4
167.07014	3.3
172.07588	1.3
178.08670	10.3
181.04950	3.1
189.12761	1.8
201.10271	4.2
207.13789	1.5
210.11351	7.6
213.10181	1.5
220.09697	1.2
222.11296	3.6
224.12851	3.8
225.14819	1.2
252.12379	2.8
263.11740	0.8
267.15030	1.6
309.16150	1.5
312.91092	0.9
337.15546	7.4
351.17075	1.7
357.13312	2.7
369.18118	85.2
370.18439	2.6
387.14395	4.7
387.19247	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	387.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.05033	2.8
57.03436	2.0
58.06590	5.5
65.03943	1.3
67.05506	2.1
69.03425	4.2
70.06596	8.3
70.79803	2.8
78.30155	1.1
79.05484	3.6
81.03405	1.8
81.07053	4.7
84.08128	1.2
85.02913	11.6
87.04337	1.1
91.05489	4.3
93.07048	2.5
94.04130	2.8
94.06558	5.0
95.04964	2.6
95.08571	2.2
97.02878	3.5
97.06541	1.6
98.06045	4.5
99.04437	1.5
105.07020	4.8
107.04950	1.4
107.08562	1.9
108.08115	6.3
109.02877	1.5
109.06505	2.1
109.10115	1.2
115.05423	6.7
117.05741	4.5
117.07010	2.1
118.06557	5.8
118.07264	1.1
119.08588	6.7
120.04454	3.1
121.08852	1.6
121.10149	10.1
122.03659	8.1
122.09650	2.6
123.08111	1.4
124.03945	3.1
130.06534	5.2
131.04868	1.3
132.04482	6.3
132.08086	27.9
137.05980	88.4
142.06564	8.0
142.70680	1.2
143.04951	2.5
144.08092	18.7
145.05013	2.2
145.06454	1.9
147.11696	1.5
149.09621	1.7
150.09143	3.1
151.03893	1.7
151.07555	1.4
153.05440	4.6
158.05984	2.0
159.11653	1.3
160.07585	92.2
161.07857	1.3
161.13214	3.4
162.09174	2.7
164.10704	4.4
165.11462	1.7
167.07053	11.9
172.07568	2.3
173.05972	2.2
174.09178	1.7
175.07515	1.5
178.08630	7.4
179.14305	5.4
181.04961	10.2
181.08629	1.3
189.12724	2.9
190.08727	1.9
192.10222	4.1
197.10703	1.9
201.10263	4.5
205.08794	2.3
207.13875	6.1
208.13332	15.6
210.11320	4.4
213.10188	2.5
215.11827	2.6
220.09686	4.9
222.11273	8.0
224.12778	6.3
225.14822	11.4
233.08150	1.6
235.09798	1.5
249.13820	1.4
252.12363	10.6
265.09814	2.8
267.14987	3.3
294.13184	1.9
309.16129	3.1
337.15414	19.6
351.17010	4.2
357.13348	10.7
369.18100	100.0
370.18387	3.5
387.14377	24.0
387.19174	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1916
Annotation	Alstovine
Peak:m/z	Relative Intensity
55.01896	1.5
55.05511	2.9
69.03418	2.0
69.78590	5.9
70.06595	11.7
73.63487	1.0
79.05479	1.8
80.95358	1.1
81.07040	3.0
82.05771	1.1
83.01359	2.4
83.87912	1.0
86.06048	1.2
91.05448	1.8
94.06570	11.4
95.04978	1.7
96.04507	1.3
98.06057	11.6
103.05451	1.6
105.07017	2.4
106.06553	2.0
108.08158	5.7
109.06492	2.6
115.04680	1.0
115.05448	3.2
117.05759	4.5
118.06540	4.6
120.04484	7.1
120.08096	2.0
121.06509	2.3
122.05946	1.2
124.03977	5.4
130.06529	10.8
131.69098	1.1
132.04451	5.1
132.08098	23.2
133.06509	1.4
136.11217	1.6
142.06572	6.2
144.08089	19.7
146.09644	2.1
148.07579	5.0
149.06006	2.5
150.05501	1.2
150.09126	11.9
158.06030	3.4
160.07590	68.1
161.05986	1.3
161.07976	1.5
162.09171	2.8
163.09891	1.4
164.10706	9.7
166.05003	2.4
167.07028	1.2
174.09172	1.9
178.08655	10.6
187.08734	1.6
190.08673	1.8
192.10201	11.4
194.11743	1.0
201.10249	9.8
206.11893	1.1
210.11328	3.3
212.06750	1.1
220.07707	2.1
220.09695	19.7
222.11284	3.2
224.12842	4.5
249.13892	1.1
252.12335	37.7
253.12682	1.3
265.09839	3.5
267.15021	4.3
294.13348	6.0
309.15958	5.2
319.14673	1.6
337.15607	11.7
351.17053	5.1
369.18085	66.2
370.18414	3.1
387.19162	100.0
388.19482	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	387.1805
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03938	3.4
55.01883	2.0
55.05496	1.6
65.03936	1.9
66.04713	2.0
70.06606	1.2
70.27482	2.5
70.27876	2.3
78.04713	2.8
79.05498	16.2
81.07063	2.8
85.16289	1.1
91.05489	15.6
93.07056	9.9
94.04184	3.2
94.06556	1.1
95.01348	1.1
95.04968	5.3
98.06037	2.8
100.11243	1.2
103.05457	9.5
105.04514	3.1
105.07034	5.6
106.04166	1.9
107.04967	31.6
107.19466	1.2
108.08087	2.3
109.06540	1.8
115.05416	3.7
117.05791	1.6
117.07031	5.3
118.06528	1.6
119.04958	3.4
120.05730	2.3
121.06512	15.5
122.03663	5.2
123.04421	5.0
124.03983	1.7
124.05205	5.6
125.05997	2.7
126.91964	1.0
128.06177	2.2
129.07043	1.5
130.06584	3.0
130.07791	4.0
131.04929	3.6
132.08081	4.5
133.02831	1.2
133.06479	2.1
135.08032	1.4
137.05991	66.5
138.06731	2.1
143.04936	3.3
143.08594	6.8
144.08067	3.9
145.06517	3.7
145.10136	18.4
147.04459	2.7
148.05182	3.1
149.06000	6.2
150.09253	1.6
151.03938	13.5
151.05032	2.3
152.04689	2.8
153.05499	2.2
155.08553	3.7
157.06526	1.4
158.07274	18.5
160.07594	16.0
161.06035	2.7
163.07547	2.9
166.06267	8.8
167.07051	100.0
168.07503	1.2
171.08040	1.6
173.06024	3.6
173.09630	36.8
175.07526	1.8
177.05565	1.4
178.08664	3.0
181.05051	14.4
181.08603	92.0
182.08987	1.8
183.09262	2.3
186.06746	3.2
189.09059	1.3
191.06966	5.6
192.10179	2.1
195.06500	1.4
195.08629	1.2
195.10127	6.9
201.09094	49.7
203.07014	2.7
205.08640	1.9
218.09424	2.8
220.09770	3.7
224.12883	1.2
233.08156	2.1
233.11743	40.3
234.20158	1.3
252.12318	5.3
264.07703	1.5
265.08664	1.4
271.09781	1.1
294.13211	1.3
337.10959	2.0
337.15366	2.7
351.12262	1.2
355.11801	1.5
355.15775	1.4
357.13327	8.2
369.13602	1.8
369.18042	15.6
387.14276	20.8
387.18683	15.1
387.24054	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	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70944	1.2
51.91141	1.3
51.91382	1.5
53.03936	4.8
53.45196	1.3
55.01860	2.2
65.03939	2.3
66.47636	1.4
67.05511	1.7
69.55893	6.6
69.56304	2.2
70.06593	3.2
71.50735	1.4
78.04686	2.7
79.05488	15.8
81.03419	1.7
81.07050	3.7
85.02890	2.8
91.05485	17.8
93.03386	1.5
93.07058	10.3
94.04190	2.5
94.06559	3.8
95.04963	5.7
98.06058	3.5
103.05491	9.6
105.07018	5.7
106.04166	2.3
107.04312	2.3
107.04961	27.9
107.08579	1.7
108.08131	1.6
109.06505	1.8
110.06071	1.3
115.05437	6.4
116.78622	1.6
117.05746	2.2
117.07027	6.7
118.06551	2.3
119.04951	2.8
120.04478	1.7
121.06506	13.7
122.03656	9.0
123.04427	6.1
124.03960	2.4
124.05207	4.9
128.06224	3.1
129.07002	2.5
130.06558	2.2
130.07784	4.0
131.04901	4.1
132.04443	1.8
132.08090	8.5
133.02788	2.0
133.06448	2.6
135.04424	1.8
135.08057	1.7
136.05225	1.5
137.05986	71.3
138.06763	1.2
142.06531	1.8
143.04895	3.2
143.08551	7.2
144.05727	1.9
144.08076	8.0
145.06409	3.1
145.10135	19.0
147.04407	3.0
148.05161	3.6
148.06319	1.4
148.07556	2.0
149.05951	5.5
150.09148	3.8
151.03917	13.7
151.05020	2.1
151.07562	1.5
152.04684	3.1
153.05470	3.4
154.07677	1.3
155.06036	2.4
155.08519	4.4
158.06073	1.3
158.07278	19.3
159.07967	1.9
160.07593	28.6
161.06013	3.5
163.07518	3.7
164.10695	2.8
165.05505	1.4
166.06294	9.5
167.07048	100.0
168.07388	1.3
171.07993	2.5
173.05954	4.4
173.09625	30.6
175.07561	2.2
177.05492	2.1
178.08601	4.5
181.05052	17.1
181.08598	87.3
186.06761	3.5
187.07506	2.5
189.09044	1.6
191.07024	10.2
192.10159	2.4
195.06560	2.6
195.10199	7.5
201.09091	55.1
203.07043	3.2
205.08612	3.8
210.11261	1.8
218.07355	1.6
218.09355	2.9
219.08052	2.5
220.09532	3.4
222.11284	1.7
223.07712	1.4
224.12839	1.9
233.08138	1.6
233.11748	40.8
234.06740	2.1
235.09636	2.0
241.08304	1.3
248.08421	2.0
251.07053	1.3
252.12253	8.4
263.07095	2.7
267.14865	2.0
293.08136	1.8
294.13467	1.9
305.07932	3.1
309.11340	1.6
319.09567	2.0
325.10928	1.9
337.10684	5.7
337.15256	4.0
351.12326	2.6
351.16791	1.4
355.15579	2.2
357.13306	9.3
369.13620	3.1
369.18097	31.0
372.21121	1.5
387.14114	17.9
387.18875	28.2
387.23801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1805
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02385	0.5
53.03957	1.3
55.01865	1.2
65.03945	1.7
67.05506	1.4
70.06594	1.0
71.48248	0.5
77.03979	0.6
78.04718	0.6
79.05505	4.6
81.03412	0.9
81.07059	1.7
85.02888	1.1
91.05499	5.3
93.07034	2.6
94.04190	3.9
95.04992	1.4
97.06534	0.5
98.06064	1.0
103.05481	3.2
105.07076	1.6
106.04171	0.9
107.04955	7.6
108.08060	0.8
109.02941	0.6
109.06536	0.7
115.05464	2.5
117.07009	2.9
118.04154	0.7
119.04978	0.9
119.08646	0.7
121.06528	3.6
122.03661	8.7
123.04432	1.3
124.05222	1.7
125.06016	0.9
127.05423	0.6
128.06288	0.7
129.07022	0.7
130.06560	0.6
130.07790	1.2
131.04955	2.8
132.08105	2.5
133.06500	0.8
136.05173	0.6
137.05991	100.0
138.06477	0.9
143.04906	3.1
143.08562	1.2
144.08101	1.9
145.06499	2.4
145.10107	3.0
147.04456	0.9
147.07988	0.7
148.05219	1.7
149.05981	2.3
150.09137	0.6
151.03932	7.6
151.05045	0.7
152.04707	0.7
153.05502	1.4
155.06088	1.3
155.08546	1.3
158.07271	3.9
159.08128	1.2
160.07588	5.5
161.05991	1.5
163.07533	2.2
166.06279	2.4
167.07056	31.2
173.06041	3.9
173.09618	5.1
175.07510	1.2
177.05498	0.8
178.08653	0.7
181.05000	14.9
181.08600	20.4
183.09209	0.8
186.06754	0.9
191.07033	5.3
192.10347	0.8
195.06512	1.2
195.10182	1.6
201.09081	9.8
203.07077	2.0
205.08600	2.0
219.08073	0.6
220.09741	0.6
233.08138	1.8
233.11758	9.3
235.09630	2.4
246.65874	0.5
247.07373	0.5
249.08981	0.6
252.12347	1.9
265.08759	0.8
277.08551	0.8
295.09570	0.8
307.09866	0.8
309.11145	0.8
323.12869	0.8
325.10840	0.8
337.15231	0.9
351.12482	0.7
355.11719	0.8
357.13345	11.6
358.13712	0.7
369.13464	1.4
369.18057	7.4
387.14398	23.4
387.18945	6.8
388.14758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.02385	0.9
52.22427	0.7
53.03954	5.6
58.57742	0.8
65.03940	1.4
69.94077	3.5
77.03947	0.9
78.04694	1.6
79.05489	15.5
81.07064	2.0
91.05482	15.4
93.07054	13.2
94.04190	1.0
95.04948	3.2
103.05463	6.9
105.03354	1.0
105.04549	1.4
105.07006	4.1
106.04186	0.8
107.04961	35.0
111.04491	0.9
115.05396	1.4
117.06998	1.9
118.98207	0.9
119.04936	2.3
120.05738	0.9
121.06506	16.1
122.03662	1.9
123.04452	4.4
124.05208	7.5
125.06010	2.7
128.06221	2.1
129.06961	1.4
130.07785	5.8
131.05019	0.9
133.02870	2.0
133.06467	1.1
137.05986	1.5
138.06721	2.2
139.07533	1.4
143.08569	9.0
143.74084	0.8
144.05693	1.1
145.06491	1.7
145.10130	19.2
147.04408	2.0
148.05191	2.0
149.05954	4.9
151.03920	4.0
152.04662	4.3
155.08572	5.2
157.06471	1.4
158.07275	23.4
158.22705	0.8
159.08064	1.3
163.07564	1.7
166.06281	12.8
167.07043	91.6
171.08063	1.3
173.09627	32.5
175.07504	0.9
181.08601	100.0
182.08984	1.6
183.09142	1.7
186.06772	4.5
195.10144	7.2
196.10451	0.9
201.09111	58.7
218.09366	3.1
233.11720	42.3
355.15619	1.3
387.18198	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	387.1805
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03079	1.0
53.03943	3.3
65.03925	1.1
76.83827	0.9
78.04700	1.3
79.05502	14.1
79.26846	1.1
81.07050	2.5
91.05492	15.3
93.07045	13.6
95.04962	3.8
95.08597	1.6
103.05486	5.5
105.07032	3.5
107.04971	30.6
108.08068	1.2
117.06978	2.9
119.04946	2.5
119.08542	1.6
120.05763	2.2
121.06509	15.4
123.04439	3.1
123.60597	1.1
124.05200	6.6
125.05977	3.3
128.06241	1.8
129.07008	2.3
130.07788	3.9
131.04924	2.0
131.08580	2.1
135.08102	1.4
137.06000	4.0
142.07758	1.1
143.08578	6.6
145.06566	2.6
145.10132	19.0
145.24609	1.1
147.04460	2.6
148.05222	2.9
149.05966	4.5
151.03918	4.6
152.04602	2.7
155.08542	6.3
158.07278	18.7
166.06284	11.9
167.07051	71.4
171.08067	1.9
173.09645	24.6
181.08601	100.0
182.09024	1.4
183.09238	1.1
186.06734	3.0
195.10153	6.7
201.09128	47.9
203.07132	1.3
218.09317	2.1
219.22269	1.1
233.11751	39.2
337.14938	1.0
347.31851	1.1
355.15421	2.0
369.18137	1.3
387.18381	7.3
387.25769	2.0
387.30554	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25526	1.0
53.03939	3.4
55.01877	1.5
62.46181	1.2
67.05499	1.4
69.85937	1.2
78.04676	2.2
79.05496	16.8
80.87913	1.1
81.07054	3.9
91.05486	18.3
93.07053	13.0
94.04155	1.7
95.04974	4.6
103.05463	6.5
105.07025	4.0
107.04960	30.2
109.06499	1.3
117.06998	2.0
119.04919	2.4
120.05729	2.4
121.06512	17.2
123.04433	4.4
124.05228	5.7
125.06015	2.5
129.07016	2.4
130.07771	5.1
131.04959	1.4
131.08554	1.3
133.02786	2.2
133.10139	1.5
137.06007	3.3
143.08582	6.7
144.08153	1.3
145.06490	1.7
145.10117	16.4
147.04341	1.4
148.05173	3.3
149.06006	5.8
151.03951	5.6
151.79196	1.2
152.04651	4.3
155.08554	4.7
157.06532	1.3
158.07274	21.4
159.08031	1.4
160.07567	2.7
166.06282	11.6
167.07045	76.2
172.08904	1.5
173.09637	30.5
181.08601	100.0
182.08882	2.3
186.06721	3.2
195.10196	7.0
201.09117	47.5
201.10999	2.7
218.09308	1.5
233.11734	37.8
233.14117	2.2
355.15408	1.4
369.09238	1.2
369.17932	1.2
387.18546	7.5
387.25397	2.1
387.30222	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	387.1444
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.99855	0.5
51.06115	0.5
51.81652	0.5
53.03957	0.8
55.15379	0.5
61.06267	0.5
65.03934	2.1
66.04695	0.6
67.05495	1.1
68.76987	0.5
70.06593	0.7
73.89909	0.5
75.46123	0.6
79.05492	2.9
81.03385	0.8
81.07043	1.3
82.04227	0.9
85.02901	1.3
91.05492	3.3
93.03442	0.6
93.07053	1.1
94.04183	2.9
94.06572	0.7
95.05004	1.1
97.06547	1.1
98.06046	1.0
98.21613	1.1
103.05486	3.1
105.07042	1.5
106.04163	0.9
107.04952	3.4
108.08099	0.6
108.79622	0.6
109.06536	0.8
115.05469	2.2
117.07018	3.1
118.06505	0.7
119.04922	0.6
119.08648	0.5
121.06587	0.7
122.03659	9.2
123.04434	2.0
124.05283	0.5
125.06007	0.9
130.06526	0.9
131.04938	2.3
132.04472	0.6
132.08096	2.3
133.06485	0.9
137.05988	100.0
138.06337	0.8
140.71552	0.5
143.04965	3.2
144.08069	2.6
145.06487	3.6
145.08403	0.6
147.04465	0.6
147.08118	0.8
148.05244	1.6
149.05989	1.4
151.03935	8.8
153.05508	1.0
155.06094	1.5
158.07265	0.6
160.05144	0.6
160.07585	5.6
161.05988	1.6
163.07574	2.2
164.10767	0.7
165.05475	0.7
165.09184	0.5
167.07057	22.8
173.06006	3.7
173.09685	1.0
174.06754	0.6
175.07573	1.8
177.05524	1.5
178.08694	0.8
181.04977	20.7
181.08530	3.5
187.07455	0.9
189.09142	0.6
191.07018	6.8
191.08588	0.7
192.10239	1.2
193.08672	0.6
195.06595	0.7
201.09099	1.6
201.49834	0.6
203.07051	2.2
205.08632	2.0
207.06500	0.5
210.11386	0.7
210.37671	0.5
215.06960	0.6
218.09578	0.6
220.09666	1.2
233.08093	2.0
233.11809	1.3
235.07610	0.7
235.09743	1.4
248.08301	0.6
252.12379	2.3
265.08850	0.7
279.10165	1.0
307.09906	0.8
309.11197	0.8
337.10690	0.6
337.15320	0.9
351.12155	0.9
356.31348	0.5
357.13348	11.3
358.13492	0.6
359.14587	0.6
369.13577	1.4
369.17923	8.3
387.14413	27.4
387.19135	8.1
388.14709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1288
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03952	3.3
55.01876	6.1
57.58524	2.6
65.72491	2.9
67.05515	5.3
69.03425	8.7
70.54388	7.1
79.05487	11.9
80.04971	3.9
80.37730	2.7
81.03424	4.2
85.02905	8.0
91.05480	7.7
93.07028	3.9
95.04385	4.9
95.04974	96.2
97.02885	16.4
103.05470	9.4
105.07040	5.3
107.04961	45.5
107.08605	4.2
108.08087	8.9
109.02899	15.2
109.06525	5.7
109.10107	3.4
118.04272	3.0
121.06501	12.9
122.09688	3.6
123.04459	16.8
123.11709	4.5
124.07600	3.4
125.02367	25.8
125.05965	5.0
127.03938	5.7
131.04977	4.4
132.08098	13.9
133.02840	2.7
135.04445	13.7
137.05928	7.4
142.06474	3.3
144.08090	3.5
145.06520	3.2
147.11682	3.4
149.05969	25.0
150.09184	14.0
151.03918	100.0
151.07478	4.7
153.05438	6.4
158.05933	3.3
160.07610	30.3
163.03865	6.3
167.07043	10.5
177.05496	24.1
189.12683	5.4
190.13026	4.5
193.07097	3.8
195.06499	22.6
207.13864	11.5
223.11667	3.7
225.14888	5.8
234.98955	3.0
252.12198	3.0
267.14944	9.3
303.57968	2.9
337.15369	4.8
355.16354	3.7
369.18246	9.8
387.14566	5.4
387.19205	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
58.99872	1.1
68.98292	2.6
69.03432	1.4
69.79585	2.8
70.99858	1.6
77.00912	1.4
79.05494	1.0
81.03446	1.1
82.99858	1.7
85.01410	1.4
85.02904	1.4
86.99335	2.0
89.03930	1.7
92.42274	0.5
93.03399	0.6
95.04979	2.4
97.01432	0.7
97.02900	0.8
98.20811	1.2
100.23130	0.6
101.00881	10.4
103.02432	0.7
105.07044	1.1
105.35754	0.6
107.04966	47.6
108.05271	0.9
111.02977	1.6
113.00896	5.5
115.02435	1.1
117.00227	0.6
117.03400	2.1
119.01936	7.3
121.06509	1.1
123.08047	0.7
127.02402	1.2
127.03912	0.8
129.03995	5.4
131.01920	7.4
133.03461	1.1
135.04408	3.2
137.04495	6.3
139.02422	0.9
141.03981	1.6
143.01900	4.9
145.02715	1.1
145.03625	1.2
145.05009	0.9
147.05016	0.9
149.03009	0.7
153.03975	6.3
155.01904	3.9
155.05542	20.9
156.05743	0.7
157.03484	3.7
159.05031	0.9
161.02969	3.7
163.02571	1.1
163.03917	16.9
163.05952	3.6
164.04239	1.7
165.04007	2.5
169.03456	1.2
171.05048	14.0
173.02898	3.4
173.06628	7.2
179.05573	3.8
181.07115	37.2
182.07327	1.1
183.05031	5.9
185.03014	2.6
189.06078	0.8
191.05600	0.6
193.07172	0.8
197.02983	2.7
197.06573	5.1
199.08183	17.5
201.06009	0.8
203.04041	2.5
205.07143	4.1
207.05014	5.4
209.06502	1.2
213.06116	0.7
215.03877	0.7
221.04947	3.4
223.06108	1.4
223.08174	16.7
225.06094	11.3
227.04022	0.6
235.08171	1.9
239.06183	1.8
241.09198	1.0
243.07202	4.3
245.05272	0.8
247.04718	1.0
249.06117	8.3
249.09828	0.6
261.06097	2.3
263.06152	1.2
265.54642	0.6
267.07166	100.0
268.07416	4.0
273.08212	2.4
279.04080	0.9
279.07153	18.4
285.08154	8.8
290.08594	1.0
291.09372	0.8
297.08200	8.9
327.09274	2.4
369.10355	9.5
387.11301	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	385.2122
Annotation	Deacetylcathovaline
Peak:m/z	Relative Intensity
51.48679	0.9
56.32836	1.0
62.80292	0.9
66.20428	0.9
67.86356	1.0
71.22793	1.4
75.04490	1.9
78.66473	0.9
79.05505	8.4
81.07053	1.4
82.06585	1.5
91.05501	2.0
93.07043	2.1
94.06549	1.6
105.07026	1.1
106.06554	2.2
107.04955	3.6
107.09151	1.0
108.08115	21.4
116.66090	0.9
117.07035	4.4
118.06524	1.3
120.08078	2.5
122.09723	1.3
127.05560	1.0
129.06993	2.1
130.06537	7.5
131.07314	1.6
132.08102	2.9
133.22899	0.9
136.07591	3.7
139.07565	4.7
139.73431	1.0
142.06528	1.1
143.07329	3.2
143.08519	1.8
144.08087	89.9
146.09599	1.2
147.45392	1.0
151.07576	1.5
154.06548	1.9
155.06056	1.1
155.07266	3.3
156.08110	4.2
158.09647	9.7
162.09152	1.3
166.08675	2.2
167.07195	3.3
168.08081	5.9
168.10161	5.6
169.07457	1.1
170.09659	22.7
171.09125	5.8
172.11230	3.6
180.08046	3.0
180.10242	1.2
181.08818	2.0
182.09673	2.7
182.11876	1.7
192.08278	1.1
192.10284	2.7
192.53253	1.0
192.71005	1.0
193.08946	1.6
194.09660	3.2
194.11717	1.1
196.09625	2.2
196.11273	1.0
204.08208	1.8
205.08791	1.5
206.09679	3.1
207.10521	2.0
208.11235	3.5
210.11226	1.6
218.09663	2.3
219.10457	2.3
220.11237	2.8
221.10753	2.7
222.12926	7.3
223.12282	1.2
224.12744	1.5
225.13847	2.3
230.09634	1.5
231.10480	2.3
232.11147	2.2
234.12871	5.5
235.12393	1.5
236.14555	1.3
244.11177	1.7
246.12764	3.4
247.12338	1.6
248.14323	1.4
249.13860	8.4
251.15462	30.0
254.13980	1.9
260.10654	1.3
264.13901	2.0
274.12238	1.8
275.15411	2.2
292.13391	1.9
293.16418	1.3
294.14847	1.3
296.16797	1.2
303.15015	6.1
306.14825	1.6
321.16055	4.3
324.15863	3.3
325.19107	16.7
335.17545	9.8
343.45691	1.1
353.18597	30.4
367.20160	32.1
368.20514	1.0
385.21228	100.0
386.21368	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	385.2122
Annotation	Deacetylcathovaline
Peak:m/z	Relative Intensity
55.68007	1.2
56.03399	1.2
71.16361	3.2
74.82890	1.3
75.04490	1.5
79.05507	8.9
81.07063	3.1
91.05492	2.4
95.24941	1.2
105.07011	1.6
106.06561	3.8
107.04957	3.5
108.08134	24.1
117.07036	3.7
120.08071	2.7
129.06993	1.5
130.06548	9.8
132.08093	2.2
136.07616	3.7
139.07539	4.1
143.07330	3.3
143.08559	1.7
144.08096	94.0
154.06483	1.6
155.06117	1.7
155.07330	4.7
156.08084	6.2
158.09676	11.7
166.08667	3.2
167.07172	2.1
168.08099	5.8
168.10271	4.7
169.07637	2.3
170.09674	27.9
171.09224	3.8
172.11215	4.6
180.08084	2.9
180.10211	1.6
182.09790	1.5
182.11823	1.6
192.10179	2.5
193.09009	2.0
194.09755	2.8
194.11758	1.6
196.09714	2.1
196.11296	2.5
205.08879	1.7
206.09793	2.1
207.10501	4.8
208.11227	3.5
217.08861	2.4
218.09673	1.7
219.10484	2.4
220.11166	1.5
221.10780	5.0
222.10941	1.7
222.12914	10.4
225.13893	1.7
231.10469	2.1
232.11203	2.6
234.12868	7.3
235.12167	1.5
236.12823	1.4
246.12772	2.0
249.13943	5.1
251.15440	31.6
251.17871	2.2
254.13976	2.2
264.13943	1.6
292.13489	1.7
293.16452	3.0
295.15402	1.3
321.15997	6.6
324.16058	1.7
325.19135	16.1
335.17484	7.5
353.18610	21.4
354.18674	1.3
355.53528	1.6
362.03790	1.5
367.20193	21.8
385.21271	100.0
386.21564	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	385.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05510	1.5
56.05025	2.7
59.77031	0.6
67.05479	1.4
69.07069	0.6
69.53217	0.5
70.06591	0.6
70.60988	1.1
70.61353	1.3
79.05480	1.2
79.29964	0.6
80.04980	0.6
81.07046	2.0
84.04488	2.0
91.05464	2.2
92.05009	0.7
93.07041	0.8
95.04964	1.3
95.08607	1.0
96.08093	0.7
101.92126	0.6
103.05470	1.1
104.59067	0.6
106.06559	17.9
107.04961	1.0
107.07359	1.4
108.08131	5.3
109.06479	0.8
115.05413	0.7
118.06528	3.1
120.04464	6.6
120.08115	3.5
124.03947	1.9
130.06532	12.8
132.04460	1.5
132.08083	3.4
133.10077	0.7
134.09644	1.6
144.08084	32.9
146.05952	2.9
148.03955	1.9
148.07581	13.1
153.05467	1.1
154.71021	0.6
158.06064	1.2
160.07600	4.3
161.10791	1.5
162.09143	23.2
167.07053	1.6
172.07497	1.7
173.05984	1.1
175.08745	0.8
176.07108	0.8
178.08643	4.1
180.10164	0.7
181.08537	1.1
190.06911	1.2
190.08633	20.7
190.10294	1.2
201.05421	1.0
203.11789	0.9
204.10281	1.2
208.09718	1.5
210.11276	4.5
217.04953	4.4
217.09709	0.7
219.11290	1.1
222.11259	100.0
223.11560	2.0
227.14331	0.6
227.70273	0.6
231.10214	1.0
251.93987	0.6
255.14877	0.7
261.09152	1.1
325.15436	3.6
329.13760	1.8
341.14746	0.8
343.11566	0.7
353.14905	9.8
357.00433	0.7
357.18106	52.1
358.18338	2.3
367.22238	0.6
385.09210	0.6
385.17123	8.2
385.23587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01987	1.0
53.69691	0.9
55.01870	1.6
55.05515	1.6
57.03431	1.1
65.03946	0.9
67.05492	2.1
69.03429	1.5
69.07077	1.0
70.01796	2.7
70.60802	1.0
79.05486	3.9
80.05036	1.0
81.03419	1.1
81.07059	3.7
81.10180	0.8
90.17850	0.9
91.05489	4.1
93.07054	2.3
95.04959	1.4
95.08586	1.5
104.79067	0.9
105.07037	2.3
107.04964	2.1
107.08589	1.1
108.08097	2.8
111.00815	1.0
113.78223	1.0
115.05441	2.6
117.07039	2.9
121.06503	1.3
123.04443	1.3
124.03941	1.6
128.06190	0.9
129.12708	1.0
130.06505	5.6
131.08586	0.9
132.08153	1.1
133.06476	1.1
137.05971	1.3
143.07352	2.3
143.08536	1.8
144.08093	78.9
145.06497	1.1
145.08427	1.7
146.06038	2.2
148.03969	5.5
153.05486	1.1
153.06944	1.3
154.06548	2.7
155.07278	2.3
156.08092	1.5
158.06026	3.7
160.07576	1.5
161.05992	3.2
162.09103	1.4
167.07103	3.6
168.08101	4.2
169.07669	1.6
170.09653	11.6
171.09218	1.3
172.11281	2.2
173.05983	10.3
176.07088	3.5
178.08679	1.7
180.08141	2.4
181.06419	1.7
181.08626	1.3
187.07571	2.7
189.05452	1.2
191.08621	1.4
194.09715	2.9
197.10768	4.0
199.07536	3.0
201.05501	5.5
204.08148	1.4
206.08281	1.4
208.09955	3.7
209.09633	1.1
213.09059	1.2
217.04982	25.4
221.06151	1.0
221.10760	21.5
222.11374	2.9
223.12309	12.9
227.07060	1.3
231.07985	1.0
235.07521	2.3
236.08406	1.1
237.09248	1.1
242.10262	1.3
247.07541	1.2
249.10269	2.6
250.06477	1.1
253.08641	1.1
263.07114	1.6
263.11789	1.3
265.09619	4.0
265.12259	1.6
266.09668	1.1
267.11304	100.0
268.11572	2.6
268.89795	0.9
275.11493	0.9
277.08865	1.1
278.09641	0.9
279.11383	7.7
281.12778	4.6
283.09677	0.8
283.13922	1.0
291.11404	1.4
293.08145	3.1
293.12097	1.3
295.09512	1.0
295.14255	1.5
307.09628	3.7
307.14362	1.5
309.12286	3.0
311.12878	4.2
314.34311	1.0
321.11185	1.1
323.09225	1.0
323.14053	4.3
325.10767	1.4
329.13867	13.9
330.33032	1.0
335.13873	6.5
336.98901	1.0
341.14780	1.3
349.15329	3.0
353.14758	6.5
357.13510	1.5
367.12140	1.3
367.16473	5.1
367.22623	1.1
385.12704	9.5
385.17227	55.7
385.23178	1.7
386.17462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.05494	2.4
56.05038	1.5
65.03919	1.0
67.05492	3.3
69.03429	0.9
79.05499	3.8
80.04980	0.8
81.07054	5.4
83.04963	1.5
84.04677	0.8
91.05463	3.8
92.04985	2.1
93.07039	3.0
94.06550	1.6
95.04956	1.9
95.08579	0.8
97.10154	0.9
100.14858	0.6
103.05457	1.3
105.07027	2.1
106.06580	5.6
107.04963	1.6
107.07310	0.9
107.08591	1.3
108.08131	10.0
109.06529	1.6
109.10129	1.6
111.04394	0.7
113.45567	0.7
117.07031	1.3
118.06532	2.7
119.04903	1.0
119.07321	1.1
119.08565	0.7
120.04478	14.2
120.08113	8.3
121.06468	2.0
121.10186	1.0
122.09685	1.1
123.04427	0.9
124.03944	2.7
130.06538	19.8
131.04936	1.2
131.08589	0.9
132.04466	6.2
132.08073	1.8
133.06488	2.0
134.05977	1.2
134.09682	12.5
135.10457	5.3
135.11346	1.0
136.07588	1.0
137.09494	1.1
144.08072	4.6
145.06506	1.4
146.06009	3.0
146.09618	0.9
147.04413	3.1
147.06792	3.0
148.03966	4.8
148.07573	13.9
152.07120	1.0
158.06039	3.2
160.07605	4.1
161.05939	0.8
161.07114	1.4
162.09148	35.7
163.08646	1.6
165.05499	2.3
167.07042	1.7
170.98776	0.8
171.00836	0.9
173.05981	2.1
175.06223	1.1
176.07085	1.9
178.08653	7.7
181.08644	1.3
190.08633	7.1
192.10269	1.0
194.11769	16.0
205.09784	2.6
210.11266	4.4
217.04967	3.9
222.11266	100.0
223.11661	2.2
227.07219	0.7
231.10294	1.8
239.11679	1.2
261.08963	1.5
263.10587	1.0
283.14560	1.0
293.11795	1.4
310.11710	0.9
314.11307	1.0
321.11475	0.9
325.14902	1.1
329.13718	1.5
353.14392	3.9
357.18118	73.7
358.18338	1.8
367.22650	1.7
385.12427	1.5
385.17380	23.4
385.23669	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	385.1471
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
52.64841	0.5
53.66045	0.4
61.02934	0.7
67.31638	0.5
69.03419	1.3
70.06582	0.8
71.48363	0.5
73.02898	0.8
84.43105	0.5
85.02897	1.8
86.06039	0.4
97.02877	0.9
125.84207	0.5
127.03892	0.7
137.06010	0.5
145.04984	0.7
145.06464	0.6
147.04437	0.6
160.07628	0.6
163.03865	0.7
163.06129	0.7
163.07635	0.8
166.08656	0.9
167.07051	0.8
193.04906	0.7
199.08652	0.6
205.08592	1.0
205.12183	0.8
223.09612	1.6
226.29927	0.5
240.10017	0.5
385.14676	100.0
386.15005	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	385.1648
Annotation	Schizandrin C
Peak:m/z	Relative Intensity
52.85146	1.2
53.03940	1.5
53.38681	1.3
54.27391	1.2
57.42814	1.4
60.73006	1.5
70.38805	3.6
70.39198	2.6
79.05500	14.0
81.07056	2.4
85.02902	3.0
93.07044	2.0
107.04958	34.6
109.06517	1.8
112.14046	1.3
120.04459	2.1
121.06480	3.2
123.04430	2.7
124.05207	5.9
128.06253	1.9
137.05974	1.5
144.08078	2.9
146.76381	1.3
152.04628	3.4
161.05946	2.2
167.07047	100.0
170.07281	5.1
181.08562	4.2
183.11662	1.4
190.07814	2.0
193.06587	2.2
203.08556	1.7
205.10225	2.1
205.12120	2.0
207.08080	2.2
208.05177	1.6
211.07518	2.3
218.07274	4.8
219.07993	2.8
220.08908	2.5
221.06017	10.2
222.10338	2.4
223.13269	1.8
231.10110	9.7
232.08803	3.7
233.09650	12.4
234.06953	1.8
234.10368	1.7
235.07527	12.8
237.05447	1.9
238.06067	2.2
239.07060	2.8
247.07567	3.1
247.11214	3.8
248.08359	2.9
249.09128	5.0
250.09932	9.5
251.10727	2.1
261.09103	9.4
262.09796	2.3
263.07053	7.1
263.10397	1.6
264.07648	2.7
265.12320	6.0
266.05692	2.2
267.06522	14.4
267.09857	2.4
269.08029	3.7
275.10703	1.9
277.08649	3.8
278.09399	13.5
279.10150	6.1
281.08252	2.0
282.08868	33.2
289.08548	2.4
293.11713	19.8
295.09698	7.3
296.10236	3.3
299.09180	2.5
305.07986	2.0
306.08838	3.4
307.09659	2.8
309.07556	2.1
309.10883	1.7
310.08334	17.3
310.11868	5.4
315.08521	7.5
321.11264	10.9
323.09177	4.0
324.09750	2.1
325.14383	10.7
327.08771	1.8
328.09372	11.3
330.10968	10.1
338.11514	3.8
339.12207	4.8
343.11758	60.1
353.13873	31.2
354.14606	3.5
355.11731	4.6
357.13266	3.2
367.12363	1.5
367.16455	5.6
370.14194	4.4
385.16510	73.0
386.16479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80374	2.0
53.03939	5.8
55.01869	3.4
55.05503	10.2
56.87548	2.0
57.07086	9.5
57.89136	1.8
59.04998	6.5
65.03922	4.2
67.05191	2.1
67.05510	34.0
69.03432	13.7
69.07083	10.4
70.93958	3.9
71.04980	6.6
74.73755	1.7
79.05498	32.8
80.06339	1.9
81.07057	37.0
83.04977	5.4
83.08623	3.4
85.06537	3.9
91.05479	43.9
93.07047	100.0
95.04969	24.7
95.08603	40.0
97.06539	12.7
105.04608	2.2
105.07039	72.0
107.04945	4.7
107.08604	39.1
109.06510	22.0
109.10169	29.8
111.08083	8.3
115.05451	4.8
117.07023	10.3
119.08584	53.8
120.09354	3.3
121.06529	14.0
121.10153	38.1
121.34100	2.2
123.08061	30.7
123.11712	2.0
125.05943	2.5
128.06232	6.1
129.06998	9.4
130.07776	4.1
131.08577	27.7
133.06468	7.7
133.10141	25.3
135.08075	20.0
135.11688	6.4
137.06046	2.5
137.09633	14.3
141.06978	5.7
142.07765	18.5
143.08571	21.7
144.09377	3.3
145.06471	2.5
145.10141	39.7
147.08058	34.3
147.11684	18.3
148.08820	3.9
149.09619	24.2
151.07545	40.1
153.09117	2.1
155.08560	4.8
156.09346	8.9
157.10141	36.4
159.08047	8.0
159.11726	13.0
160.08858	3.8
161.09630	20.8
161.13229	7.6
163.11148	6.0
163.14767	2.2
165.09128	43.6
169.10080	6.0
170.10858	4.9
171.11714	5.7
173.09630	8.8
173.11905	3.2
173.13232	11.1
175.11205	19.4
175.14812	9.6
177.09151	9.9
179.08464	2.3
181.10097	3.3
181.12263	2.3
183.11720	3.3
185.13283	16.0
187.11157	3.8
187.14905	3.7
189.11232	2.6
189.12698	9.9
191.10622	2.8
191.14288	3.6
195.11685	3.6
197.13310	4.1
199.11195	4.8
201.09081	3.6
201.12820	9.9
203.14291	25.9
207.11873	3.9
207.13806	12.2
208.12497	2.2
209.13289	5.4
209.15340	3.6
211.14709	3.0
213.12723	4.9
215.14368	6.6
216.15019	3.0
219.13837	3.5
221.13266	3.1
221.15361	75.6
225.12852	2.0
233.15433	7.3
234.16089	12.0
235.36452	2.2
243.13768	4.3
247.14728	2.3
271.17050	3.7
286.19308	4.3
287.19965	6.4
299.20013	5.2
303.19510	8.2
309.18591	4.1
347.23795	2.5
365.24698	8.0
383.15329	4.8
383.20419	16.6
383.25760	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.7
53.64724	2.6
55.01160	2.8
55.01880	4.6
55.05497	12.8
56.94535	3.1
57.07059	13.4
57.60632	2.5
59.04988	9.4
67.05513	43.8
69.03431	12.2
69.07060	10.8
71.04987	8.7
79.05497	31.5
81.03395	3.6
81.07059	36.8
82.23553	2.9
83.04977	8.2
83.08595	3.3
85.06528	7.2
91.05477	50.3
93.07048	100.0
95.04966	30.6
95.08614	38.1
97.06528	11.6
105.07037	83.1
107.08605	37.9
109.06525	22.5
109.10160	32.5
111.08065	7.3
115.05447	4.0
117.07031	14.5
117.40055	2.8
119.08590	50.4
121.06540	16.4
121.10162	53.1
122.07324	2.7
123.08060	28.6
123.11789	3.3
128.06198	8.5
129.06995	9.7
130.07776	3.7
131.08591	33.8
132.33817	3.0
133.06487	12.8
133.10144	27.3
135.08072	23.7
135.11688	6.3
137.05962	3.6
137.09618	16.3
138.04755	2.6
142.07751	17.6
143.08577	24.2
144.09348	5.6
145.10135	35.6
147.08070	30.5
147.11685	15.6
149.09621	30.3
151.07555	36.7
153.09068	4.0
155.08565	3.7
156.09357	8.6
157.10129	38.6
159.08026	12.3
159.11691	18.1
161.09608	19.6
161.13280	8.2
163.11163	7.6
165.09111	44.1
169.10115	4.2
170.10941	3.9
171.11678	8.3
173.09599	11.4
173.13239	11.7
175.11215	20.8
175.14835	6.3
177.09113	12.5
178.09854	3.9
181.10107	3.3
181.12300	3.4
183.11700	7.6
185.09590	3.7
185.13281	9.4
187.11278	3.8
189.12732	12.1
191.14214	3.6
197.13251	4.9
201.12784	10.9
203.14302	30.8
207.12029	4.3
207.13712	14.9
209.13396	4.1
209.15349	7.9
211.14757	3.6
213.12703	6.3
215.14310	7.1
219.13887	6.9
221.13353	3.7
221.15352	78.7
222.15604	3.2
223.14940	4.2
225.12610	3.2
228.99738	3.7
231.13768	4.8
233.15294	4.1
234.16125	18.1
243.13765	4.0
249.16380	3.1
281.18918	4.2
286.19208	7.0
287.20160	6.0
299.20383	3.7
303.19586	10.3
347.23563	3.5
365.24765	11.5
378.52255	4.0
383.15671	6.6
383.25876	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.08726	3.4
53.03934	7.2
55.05514	18.7
57.07064	9.3
59.05001	6.4
65.03927	3.3
67.05508	56.0
69.03440	16.8
69.07084	13.0
69.58745	15.7
71.04976	8.9
72.27279	2.5
79.05492	26.6
81.07059	42.4
83.04965	5.2
83.08595	8.4
85.06536	7.5
85.17024	2.4
91.05489	53.8
93.07053	100.0
95.04985	22.8
95.08060	3.8
95.08617	39.9
97.06532	9.8
103.05476	4.1
105.04524	5.1
105.07046	86.2
107.08609	42.8
109.06546	22.4
109.10163	45.8
111.08088	7.5
115.05413	4.5
117.07025	10.9
119.07817	4.6
119.08593	61.3
120.09324	3.1
121.06496	12.2
121.10150	39.9
123.08087	29.7
123.11639	3.6
125.73916	2.7
128.06248	7.1
129.06984	13.5
130.07791	5.3
131.08600	22.1
133.06496	8.2
133.10130	29.5
135.08076	23.3
135.11684	5.5
137.05945	3.9
137.09602	14.4
141.06944	5.6
141.57571	2.5
142.07811	18.6
143.08577	26.1
144.09274	2.9
145.06494	3.5
145.10143	31.9
146.07222	3.9
147.08051	21.6
147.11702	14.4
148.08875	3.5
149.09628	30.7
149.13235	3.4
150.50922	2.5
151.07535	42.2
153.09125	2.9
155.08559	5.6
156.09360	7.8
157.10152	37.7
158.07108	2.8
159.08046	8.3
159.11707	18.6
160.08932	5.4
161.09616	21.4
161.13287	9.9
163.11203	7.6
165.09143	33.2
168.09373	3.2
169.10120	5.8
170.10966	6.1
171.11707	8.9
173.09605	11.8
173.11734	8.7
173.13194	7.3
175.11194	20.5
175.14859	9.4
177.09099	8.5
179.08640	4.1
183.11722	4.6
185.09631	3.2
185.13246	15.2
187.11188	7.4
189.12717	7.2
191.14310	5.6
195.11664	5.2
197.13306	5.2
199.11169	3.8
201.12790	6.4
203.14375	24.8
207.13815	13.3
208.12497	2.9
209.13322	5.9
209.15341	3.5
211.11388	2.9
213.12715	4.6
215.14294	9.1
217.12186	3.0
218.87776	2.5
219.13867	6.2
221.13432	3.5
221.15364	69.6
225.12689	4.2
227.14328	4.1
231.13765	3.8
233.15427	6.0
234.16133	10.2
249.16489	2.9
286.19363	5.9
287.20029	11.3
293.81232	2.7
299.20187	4.9
303.19482	9.0
309.18347	3.7
346.36780	3.0
365.24695	8.4
383.15485	4.5
383.25787	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01851	1.9
55.05513	15.4
57.03428	1.9
57.07063	11.4
57.36071	1.9
59.04985	7.1
62.42570	1.8
64.78362	1.9
65.03947	3.0
67.05505	33.6
69.03431	14.8
69.07066	11.1
70.93697	5.8
71.04996	5.8
79.05499	27.1
81.07060	33.7
83.04970	5.5
83.08595	2.6
85.02785	2.0
85.06580	4.8
91.05486	47.1
93.07053	100.0
94.78141	1.7
95.04987	25.8
95.08607	39.9
97.06548	12.0
103.04182	1.8
105.07039	78.8
107.04984	2.7
107.08602	39.5
109.06522	25.2
109.10162	28.8
111.08080	10.2
115.05471	2.5
117.07048	11.3
119.08588	45.7
120.09389	3.6
120.60299	1.9
121.06525	14.7
121.09341	3.9
121.10159	47.8
123.08076	28.5
123.11699	3.0
128.06219	6.8
129.07010	8.4
130.07774	4.1
131.08557	25.8
133.06482	9.1
133.10153	28.5
135.08060	19.7
135.11694	6.5
137.06044	2.7
137.09651	13.2
142.07806	14.4
143.08565	19.1
144.09285	3.5
145.06407	2.7
145.09039	3.7
145.10112	34.2
145.11171	3.2
146.07240	2.5
147.08061	27.0
147.11713	15.9
148.08789	3.1
149.09641	23.2
151.07555	38.7
153.09065	2.6
155.08560	7.7
156.09349	7.2
157.10130	36.1
159.08075	6.5
159.11674	16.1
160.08730	2.8
161.09608	20.2
161.13266	8.5
163.11234	7.6
165.09119	39.4
169.10141	6.4
170.10901	6.7
171.11690	11.1
173.09631	11.0
173.11864	2.9
173.13268	10.2
175.11215	18.9
175.14842	8.5
177.09140	9.6
178.09882	3.8
181.10110	4.2
182.10837	2.5
183.11787	4.3
185.09746	2.3
185.13225	16.1
187.11209	5.3
187.14757	4.3
189.12820	9.8
195.11555	3.8
197.13287	7.0
199.11060	3.3
201.12743	7.8
203.14314	36.5
207.11954	2.1
207.13832	12.2
209.13417	2.6
209.15366	5.7
210.77368	2.7
213.12761	5.6
215.14410	5.3
219.13808	5.7
221.15369	77.6
225.12755	2.3
227.14368	4.4
231.13853	3.3
233.15399	5.5
234.13960	2.8
234.16064	12.0
235.14824	2.5
243.13847	4.1
255.17418	2.4
274.19293	3.0
281.18945	2.6
285.18616	2.9
286.19315	2.9
287.20074	8.1
299.09332	2.4
299.20090	8.5
303.19543	10.5
309.18481	3.6
327.19687	2.3
347.23962	3.6
365.24738	10.3
372.86514	2.1
383.15628	3.8
383.20767	2.5
383.25748	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03949	7.6
55.01870	4.2
55.05518	16.4
57.07078	13.8
59.04992	7.7
65.03938	3.3
67.05506	37.3
69.03432	17.9
69.07064	11.4
71.05000	7.8
75.81742	2.2
79.05495	38.0
81.03415	2.8
81.07060	44.2
83.04975	7.7
83.08624	2.9
84.26152	2.1
85.06561	6.7
91.05485	49.0
93.07047	100.0
95.04973	26.1
95.08620	38.5
97.06544	14.3
98.21137	14.1
99.04430	2.5
103.05480	2.8
105.04545	3.6
105.07035	86.2
107.04953	5.2
107.08609	50.9
109.06525	27.0
109.10152	24.9
111.08070	11.6
115.05472	4.1
116.06236	2.8
117.07037	15.0
119.08587	63.0
120.09377	3.3
121.06508	19.2
121.10142	55.5
123.08074	34.3
123.98983	2.1
126.80712	2.1
128.06256	7.2
129.06976	14.6
130.07834	6.7
131.08575	33.2
133.06505	10.6
133.10144	34.3
135.08066	30.5
135.11688	4.2
137.05949	2.3
137.09587	11.3
141.06984	5.2
142.07790	18.4
143.08569	22.8
144.09381	5.9
145.06461	3.9
145.10118	36.8
146.07265	4.8
147.08049	29.2
147.11693	19.5
148.08861	4.4
149.09621	39.6
150.10420	3.4
151.07542	39.1
153.09114	2.9
155.08571	7.1
156.09354	9.2
157.10136	40.1
158.10892	3.9
159.07994	11.6
159.11713	16.3
161.09630	28.2
161.13286	7.3
163.11205	6.4
165.09122	47.9
167.08563	2.7
168.55484	2.2
169.10161	7.0
170.10915	7.5
171.11731	9.9
172.12405	2.2
173.09634	10.1
173.13214	11.6
174.10258	2.5
175.11197	20.3
175.14876	9.3
177.09135	15.4
178.09915	3.8
182.10886	2.8
183.08031	3.2
183.11726	6.5
185.09483	3.3
185.13272	17.5
187.11234	7.4
187.14798	2.9
189.12735	13.8
191.14278	3.9
193.10193	3.9
194.10818	2.5
195.11784	4.8
197.09583	2.4
197.13284	6.9
199.11179	3.7
200.11868	3.2
201.12666	11.2
203.14310	30.4
207.11882	3.9
207.13756	16.0
208.12482	3.1
209.13245	4.1
209.15269	4.1
211.14809	4.5
213.12708	4.9
213.16322	2.6
215.14400	7.9
219.13814	10.6
221.13359	3.6
221.15359	87.9
225.12741	4.0
227.14265	3.9
229.02925	2.7
231.13852	5.7
233.15463	6.9
234.16203	18.6
243.13907	4.6
281.19034	4.1
286.19370	6.5
287.20123	8.9
299.20175	5.8
300.21472	2.6
303.19543	10.5
341.07336	2.4
347.23788	5.9
365.24973	12.5
383.15540	3.2
383.25827	73.0
384.25909	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
53.61643	5.4
53.73070	5.9
55.01864	7.8
55.05498	21.0
57.03420	12.8
58.18250	6.3
59.30739	5.8
61.02926	6.4
67.05499	35.4
69.03425	56.3
69.07047	19.6
71.04997	48.5
71.22884	11.4
73.02898	10.3
79.05492	47.6
81.03429	38.1
81.07055	100.0
83.04980	8.9
83.08582	12.7
85.02896	49.3
91.05489	33.1
93.07040	87.7
94.12164	6.3
95.04968	30.3
95.08607	60.0
97.02911	33.4
97.06532	12.8
99.04464	9.7
103.03950	15.0
105.07029	89.4
107.04935	14.4
107.08578	64.3
109.06501	19.1
109.10162	55.7
111.04470	13.9
111.08072	6.8
117.07012	16.6
119.08563	79.7
121.06530	16.9
121.10129	77.0
121.45528	5.7
123.08067	22.3
123.11756	29.1
125.09660	14.1
127.03896	7.2
127.11169	30.2
129.07005	17.6
131.04965	7.1
131.08557	37.4
133.06496	9.5
133.10136	55.9
135.11707	38.0
137.05901	8.8
137.09610	13.4
139.07507	7.5
141.23901	7.1
143.08546	25.0
144.08102	19.4
145.10141	48.1
147.08051	12.7
147.11673	60.9
149.13243	13.0
155.08504	9.5
157.10136	31.7
159.08098	9.8
159.11707	58.6
161.05971	6.9
161.09624	9.6
161.13222	23.2
169.10150	10.7
170.09575	9.9
171.07945	6.2
171.11732	29.3
173.13232	21.4
175.11163	16.2
175.14873	11.8
177.12611	12.4
183.11697	10.6
185.10826	7.6
185.13275	10.7
187.14864	12.2
189.16360	32.1
191.14246	6.7
193.04811	6.5
193.15831	12.4
197.13216	19.0
199.07602	6.5
201.12752	16.7
201.16292	31.4
203.17834	9.1
209.13232	10.4
213.16324	10.6
215.17964	12.7
217.10655	10.2
219.17441	9.9
221.18996	6.8
222.11179	11.1
223.12280	30.4
223.14470	10.0
225.12733	9.6
233.18965	7.3
243.13922	9.3
245.18996	9.4
247.07552	17.6
248.08168	12.0
249.13721	16.3
251.15424	9.7
258.06662	6.4
261.09027	8.8
263.20074	9.8
275.07193	7.3
287.20111	9.7
291.02689	6.9
291.10202	14.8
293.07956	12.3
293.18927	8.2
307.09479	10.8
311.20078	18.2
323.12851	16.6
323.17526	20.5
329.21094	11.9
337.10739	7.2
347.22214	8.1
351.12271	23.5
351.17056	27.0
352.13116	12.4
365.23114	19.4
368.12079	10.3
383.11005	7.2
383.15543	87.1
383.19717	38.4
383.23572	53.7
384.15445	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01857	11.7
55.05519	23.9
57.03441	7.2
57.07077	5.8
61.02924	4.2
65.03945	4.9
66.91458	3.8
67.05514	30.5
67.36061	3.8
68.05004	4.3
69.03433	28.5
69.07062	21.3
70.06599	5.4
71.01339	4.7
71.05006	25.2
71.49682	4.8
71.50063	5.0
73.02930	11.3
79.05499	43.8
81.03416	18.8
81.07060	80.1
82.76187	4.0
83.04972	12.7
83.08627	10.7
85.02922	31.6
91.05492	35.9
93.07053	54.7
95.04971	11.9
95.08619	58.9
97.02882	19.2
97.06530	8.8
99.04453	6.1
103.03941	7.9
105.07040	64.8
107.04942	12.7
107.08601	47.2
109.02888	7.0
109.06511	15.8
109.10164	35.3
111.04459	13.1
111.08088	9.8
115.03903	4.6
115.05441	7.8
116.65409	4.3
117.07008	12.7
118.06484	5.0
119.08594	64.5
121.06495	12.1
121.10149	34.7
123.04429	8.8
123.08041	11.5
123.11746	19.9
125.05972	4.1
125.09655	9.3
127.03876	4.9
127.11217	8.6
128.06242	6.3
129.05464	6.3
129.07028	12.7
130.06567	7.1
131.08566	24.0
133.02989	5.0
133.10162	39.1
135.08015	10.5
135.11694	32.7
137.05989	11.9
137.09612	14.5
137.13176	4.8
139.07510	10.9
142.07813	5.0
143.08574	16.3
144.08099	40.5
145.06541	5.2
145.10136	29.2
146.05998	9.7
147.08041	8.2
147.11673	35.8
149.06001	6.5
149.09555	6.2
149.13260	11.1
151.07549	7.1
151.11176	10.0
153.12769	5.4
153.40323	4.4
155.07274	5.6
155.08502	9.8
157.10121	19.6
159.08023	6.6
159.11707	38.9
161.06000	9.9
161.09648	4.3
161.13272	16.6
163.11214	4.5
167.07092	5.1
167.08565	4.8
170.07233	5.3
170.09644	9.5
171.11696	13.5
173.09579	5.8
173.13257	14.0
174.05496	5.8
174.09213	6.4
175.07510	4.8
175.11160	8.5
175.14822	7.5
183.09256	8.7
183.11737	10.8
184.10077	5.4
185.10774	9.2
185.13234	4.7
187.07524	6.3
187.14876	8.5
189.12726	6.2
189.16380	7.0
193.15677	4.8
195.11743	5.6
197.13231	5.3
199.14803	6.5
201.16313	8.9
203.17989	21.7
209.02846	4.7
213.12785	5.8
215.14334	4.2
219.08044	11.3
219.17395	5.3
221.10875	6.0
221.19092	5.8
222.11292	12.7
223.12325	31.7
227.17807	7.7
229.08432	4.9
231.08017	6.9
231.13908	4.9
231.17526	6.3
233.19005	6.0
234.11464	6.5
235.12346	7.7
243.17542	5.5
245.18987	6.4
247.07516	11.2
247.12225	6.9
248.08214	5.3
249.13942	43.2
251.15382	12.0
263.08282	5.2
263.10971	4.4
265.08896	6.1
273.18790	4.3
275.07108	6.0
276.07648	8.7
276.19836	4.8
277.08740	5.3
287.20013	6.6
291.10223	10.0
293.08047	4.6
295.06332	4.6
297.16959	4.6
305.11746	5.1
308.10287	7.1
309.11365	4.8
311.20239	7.0
319.09744	4.6
323.13553	8.3
323.17532	31.2
329.21231	6.2
335.12625	4.9
337.10806	8.0
337.15280	13.1
342.33743	4.8
347.22229	10.7
351.12552	21.0
351.17007	38.3
352.13290	5.6
352.17401	5.5
353.09964	6.2
355.16010	5.3
365.14685	11.7
365.23166	11.8
368.12607	10.6
383.10867	9.4
383.15366	100.0
383.19748	58.1
383.24258	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20883	0.6
51.59224	0.7
53.03941	1.3
54.08971	0.5
55.01877	1.5
55.05515	8.9
57.03437	1.5
57.07069	0.6
58.90475	0.7
59.05003	4.4
65.03942	2.6
67.05509	100.0
68.05843	0.7
69.03429	0.9
69.07068	3.2
71.04996	3.1
71.33415	1.2
73.78679	0.8
79.05508	6.0
81.03427	1.7
81.07061	17.1
83.04998	0.8
83.08630	5.4
83.67464	0.6
85.06544	2.8
91.05492	9.8
93.07053	5.5
95.04977	2.0
95.08606	6.8
97.06538	1.1
99.04442	0.7
99.08143	0.6
105.07023	3.4
107.04980	1.4
107.08607	4.0
109.02901	1.2
109.06570	1.3
109.10162	76.0
110.10511	0.9
111.08074	2.9
115.05490	0.7
117.07051	2.3
119.08590	6.9
119.09358	0.6
121.06509	0.9
121.10144	0.9
123.04442	0.7
123.08123	0.7
125.09715	0.7
127.11219	0.9
129.07024	2.0
131.04922	1.1
131.08609	2.2
133.06532	0.8
133.10155	0.7
135.11749	0.9
137.09633	3.8
138.77112	0.7
141.06996	1.2
143.08598	0.7
145.06523	1.5
145.10156	1.3
147.11714	1.2
155.08582	1.8
155.10695	7.4
157.06529	1.3
157.10201	0.8
159.08131	0.9
159.11832	0.8
161.06039	1.3
163.11223	0.7
167.08615	0.9
171.08099	1.2
171.11732	0.6
173.09647	2.8
173.11755	21.9
179.08600	0.8
181.10237	0.6
183.11794	1.1
185.09668	1.0
185.13338	0.7
187.07588	0.6
189.09189	0.8
195.08289	0.8
195.11751	0.9
197.09683	0.8
211.11414	0.7
211.59625	0.7
243.14026	0.7
253.12367	0.8
269.86377	0.7
271.13458	3.1
271.54669	0.6
337.21732	1.0
347.20169	1.1
351.13663	0.7
355.22833	1.1
365.21033	5.0
383.15738	1.2
383.24152	23.4
384.24619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.5
55.01870	12.2
55.05500	11.2
57.03429	7.9
57.76591	4.8
62.34948	4.5
67.05506	14.5
68.99775	13.6
69.03433	40.9
69.07075	9.5
69.91192	21.8
71.04998	30.4
71.89787	5.2
79.05489	21.9
81.03407	22.8
81.07047	25.2
83.04977	9.7
85.02907	35.8
87.00807	25.6
91.05485	36.3
93.07054	36.2
95.04971	14.7
95.08609	13.8
97.02881	21.8
105.01886	10.4
105.07036	39.8
107.04980	11.0
107.08597	26.0
109.02882	10.3
109.06517	16.2
109.10170	28.9
111.04428	7.8
115.03933	7.0
115.05431	9.6
117.07023	20.4
118.06550	62.2
118.91203	4.9
119.04956	9.4
119.08572	32.5
120.08086	48.7
121.06518	24.6
121.10125	32.3
123.04413	11.6
123.08086	10.3
123.11772	8.3
124.04089	4.3
127.03838	6.6
128.06226	8.5
129.01871	4.4
129.07022	10.0
131.08565	25.2
133.06541	7.3
133.10120	13.3
135.08078	7.8
135.11681	21.0
136.07513	6.3
137.05974	6.6
137.09604	10.9
143.07491	5.0
143.08606	10.7
144.08134	28.5
144.09087	5.2
145.06459	7.5
145.10150	27.2
146.06004	100.0
147.08038	17.2
147.11687	19.5
149.09641	5.5
151.11195	9.1
155.08601	5.8
157.10120	5.4
159.08005	5.6
159.11696	10.3
161.09613	7.1
163.07509	7.4
163.11195	17.0
164.07072	42.5
165.12820	7.1
170.05978	9.5
173.09639	29.8
175.07489	12.8
175.11128	6.3
177.12782	22.1
179.14455	6.1
188.07079	80.7
189.09123	7.5
189.12730	11.1
191.10681	19.7
193.12230	10.3
196.09698	94.6
197.13408	6.4
201.03909	6.0
205.12074	5.8
215.14285	7.0
219.13795	8.7
229.08621	6.7
231.08070	6.6
233.15410	8.7
243.13876	27.1
248.08366	7.2
261.09021	5.0
261.14935	28.5
263.10788	6.4
265.08466	5.5
275.07208	5.6
279.10172	5.0
279.15884	8.6
291.10144	9.3
293.08008	9.3
319.10214	6.8
323.12894	6.4
337.10672	9.0
351.12033	10.6
365.15894	7.5
368.12610	5.3
383.10742	10.5
383.15289	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
59.76380	0.5
70.06590	0.9
70.60863	1.5
79.05481	1.3
81.03407	0.7
81.07066	1.0
85.02913	0.9
91.05486	1.4
93.07025	1.3
95.04981	0.7
95.08604	1.3
97.02929	0.7
103.05507	0.5
105.07013	1.3
107.08612	1.4
109.06500	1.4
109.10143	1.2
117.07018	0.9
119.08578	1.1
125.05983	0.5
129.07021	0.6
131.08580	0.6
135.08128	1.3
137.09534	0.6
142.65115	0.6
143.08556	0.8
145.10118	1.7
147.04352	0.6
163.03954	0.7
165.09134	2.4
169.37321	0.5
172.14339	0.5
177.01855	1.6
177.05548	0.8
181.04985	1.0
194.18782	0.5
203.06877	5.2
203.14398	0.8
205.74146	0.6
209.04462	0.9
209.13248	0.5
221.07903	5.4
247.07573	1.2
248.08244	0.8
291.10291	0.7
293.07947	1.1
302.24155	0.6
319.19165	1.1
337.10947	0.8
337.20004	1.0
347.18442	0.9
351.12534	1.1
365.19528	1.3
383.13126	100.0
384.13434	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	15.0
57.07085	12.6
67.05511	23.4
69.07066	19.4
69.74471	10.0
69.74873	4.4
71.08645	15.2
77.53731	2.2
79.05499	14.7
81.07066	50.2
83.08623	15.1
85.10169	6.1
88.23792	2.2
91.05484	18.2
93.07043	16.2
95.08615	38.1
97.10177	13.3
98.21552	2.5
105.07050	27.3
107.08606	18.2
109.10168	20.4
111.11736	7.0
111.97989	2.6
117.07038	10.9
119.08611	12.9
121.10171	8.1
123.11717	8.2
129.07014	3.4
131.08560	14.9
133.10147	24.5
135.11713	7.0
137.13306	3.0
143.08600	4.5
145.10139	43.6
146.82129	2.4
147.11707	21.0
149.13242	5.2
157.10184	7.8
159.11717	33.6
161.13271	9.3
163.14812	2.9
171.11797	4.3
173.13272	13.1
175.14847	2.8
185.13235	4.9
187.14807	4.6
199.14845	6.4
213.16394	4.7
227.18094	2.9
227.85953	2.4
241.19478	3.2
255.21191	3.1
261.25888	2.8
381.14410	3.4
381.35229	100.0
382.35562	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03955	3.5
55.12357	2.4
59.87526	2.3
69.89266	2.9
70.06591	4.7
71.48676	2.8
72.04519	5.8
72.38487	2.7
73.02899	3.6
79.05490	3.6
83.04958	3.8
85.02896	8.5
85.06532	3.9
86.09688	3.0
88.07635	21.6
89.03914	17.3
90.05566	42.0
94.00491	2.7
95.04973	5.0
97.02933	4.0
98.02434	4.8
103.07484	2.7
107.04953	11.2
116.03482	6.8
117.03374	12.9
124.07584	10.5
135.04430	25.6
142.08661	3.3
145.02859	13.9
148.44373	2.6
163.03918	100.0
164.04227	9.7
166.08588	4.1
184.09689	5.7
202.10741	12.2
220.11809	71.1
250.12872	3.3
252.97891	6.3
302.99292	3.4
350.26385	2.7
383.13223	4.6
409.02206	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	381.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
59.05111	1.2
69.03418	1.3
69.90672	5.4
70.06573	1.7
72.08144	1.5
75.26338	0.9
79.05513	1.4
81.07056	1.2
85.02908	2.6
85.58720	1.1
91.05452	1.7
93.07032	1.4
95.08624	1.7
101.61198	1.0
103.43062	1.1
105.07034	2.4
112.27016	1.3
116.62752	1.0
120.08103	8.2
131.08607	1.2
145.10138	2.7
146.05931	1.2
147.04407	2.6
148.07567	1.7
152.10736	3.8
153.05528	1.1
159.11664	1.4
160.07588	1.2
164.07112	3.0
172.07562	1.9
173.07132	2.3
174.05499	3.1
182.08080	1.3
183.09256	2.6
186.09192	1.3
187.05080	1.1
187.08685	5.1
188.07138	3.7
194.05997	1.2
199.05017	1.2
200.07088	1.3
201.06596	3.0
201.16405	2.9
202.05064	1.7
208.06050	1.0
210.07826	1.7
211.08694	10.3
212.07091	2.2
213.10159	1.6
215.08157	18.1
216.06589	1.7
217.09874	1.8
219.07872	1.3
219.17513	1.5
221.07025	2.0
224.05827	2.2
225.06604	3.3
228.06735	1.4
229.06187	3.3
229.09735	4.0
233.09253	3.3
239.08165	34.8
241.09665	1.6
243.07689	26.4
244.08310	1.6
245.09239	3.6
246.07541	1.2
248.05571	1.5
253.06114	4.5
257.09225	15.7
261.08762	10.6
267.07663	100.0
269.09253	3.0
271.07162	5.5
275.10306	3.1
277.03525	2.2
279.09940	1.4
285.08710	77.0
287.10281	2.2
289.08154	14.6
295.07175	12.2
303.09756	12.5
307.09372	1.8
313.08188	73.5
314.08429	1.3
321.10858	11.5
321.14215	2.1
331.09262	95.7
332.09518	1.8
339.11890	15.4
349.10229	3.3
349.14160	2.0
363.07446	1.8
363.11786	12.9
381.12823	24.6
381.20483	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	381.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.01865	5.1
55.04689	3.6
55.05505	6.1
57.03439	10.2
60.41806	3.7
61.02923	15.1
67.05504	23.2
69.03438	41.9
69.07057	9.0
69.84545	19.3
73.02917	5.8
79.05495	36.6
81.03416	13.1
81.06593	7.2
81.07063	100.0
83.01290	4.4
85.02911	90.2
87.04464	7.7
91.03955	6.6
91.05483	35.6
93.07053	58.8
95.04959	7.9
95.08617	48.9
97.02892	28.0
99.04422	5.4
105.07041	90.3
107.08611	93.9
109.02886	8.3
109.06462	4.5
109.10160	29.3
116.90028	3.3
117.07031	17.8
118.49332	4.8
119.08593	48.3
121.10153	59.6
126.05526	3.6
127.03919	19.7
129.07024	7.9
131.08554	34.8
133.10129	32.1
135.11694	7.8
137.05983	11.2
143.08559	11.2
144.09302	6.5
145.04930	11.8
145.10135	85.3
146.10838	7.1
147.11681	19.8
157.10138	16.5
158.10927	5.7
159.11716	76.0
161.13274	34.7
163.03949	7.6
163.14801	4.4
171.11732	7.0
173.13303	23.0
175.07603	5.3
175.14911	5.3
183.11681	4.7
187.14832	7.0
199.14731	7.2
201.16402	75.9
203.17984	9.0
219.17473	27.1
247.12373	4.3
285.12943	4.2
321.16217	4.3
357.74265	3.9
363.21793	5.7
381.09744	6.6
381.14029	8.2
381.22925	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66013	0.4
70.17661	0.9
70.18048	0.8
76.69965	0.4
81.27583	0.4
99.17288	0.4
104.53402	0.4
122.51460	0.5
125.47289	0.4
129.23557	0.4
168.03069	0.5
173.53018	0.5
201.01617	4.0
209.54054	0.7
219.02663	2.8
220.69550	0.4
381.07959	100.0
382.08328	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64476	1.4
53.03949	4.0
54.61883	1.3
55.01870	1.3
57.03430	1.5
69.03445	2.0
69.23077	1.9
69.23478	11.3
78.03461	1.5
79.05493	2.5
81.03421	3.1
85.02891	3.0
91.05486	30.7
93.07046	32.7
95.04964	4.1
97.02930	1.7
98.21541	2.4
105.04492	3.1
106.02917	4.1
107.04960	2.5
107.08616	6.8
107.97303	1.4
117.07036	3.5
124.03960	16.0
127.03931	1.4
131.10657	1.3
134.15875	1.3
135.04491	1.9
135.08089	5.1
145.06487	2.0
148.05203	3.0
148.76974	1.3
153.09102	6.5
163.07553	5.0
181.08598	100.0
184.57739	1.6
199.09723	5.5
243.08835	3.2
268.08295	1.6
316.86374	1.4
378.11877	2.8
393.34976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03944	1.4
54.44043	1.0
55.01870	1.8
55.05510	6.5
57.07075	15.3
59.04989	1.9
67.05504	8.7
69.07069	33.9
69.68459	5.8
71.05010	2.5
71.08634	2.6
79.05498	10.4
81.07058	13.3
83.04970	1.3
83.08627	3.7
85.06542	4.3
85.10202	2.0
87.08083	1.1
89.06040	6.9
91.05465	7.1
93.07043	24.1
95.04977	2.5
95.08613	12.6
97.06509	2.2
97.10191	1.9
101.09660	14.6
105.07027	8.6
107.08598	32.0
109.06535	7.7
109.10140	3.7
110.67989	1.2
111.08083	3.4
117.06983	1.5
119.08582	5.4
121.06508	2.3
121.10145	11.5
123.08053	8.2
123.11686	1.2
125.06033	1.2
125.09622	5.2
131.08557	2.4
133.08589	2.0
133.10150	3.5
135.08047	27.4
135.11678	6.4
137.05984	4.7
137.09637	2.1
139.07553	8.4
140.83664	1.1
143.08588	2.2
145.10150	3.0
147.11720	2.5
149.09604	3.9
149.13223	5.7
150.06754	1.5
151.07561	1.9
152.08333	3.7
159.11745	2.4
161.09621	2.0
161.13301	1.3
163.14880	1.4
165.09106	23.7
165.10355	1.9
173.13338	1.3
177.12785	9.7
178.13622	2.0
179.14288	7.2
181.15883	13.0
191.14357	6.6
197.52725	1.1
197.88631	1.1
205.15929	1.4
207.13861	1.4
209.15320	18.1
230.21561	1.1
249.18417	1.1
263.20151	3.4
279.19736	1.2
291.19550	3.9
305.21396	1.4
309.63840	1.0
314.38464	1.1
319.26175	1.7
329.24823	3.2
347.25803	100.0
348.26132	3.0
361.27460	4.8
365.22745	1.2
379.28500	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.4
55.05519	23.9
57.07086	7.4
65.03925	4.3
67.05509	35.9
69.03452	2.8
69.07072	47.1
69.81540	13.1
71.08604	3.6
79.05495	42.2
81.03374	3.6
81.06599	4.2
81.07056	61.5
83.04961	4.8
83.08612	8.5
85.10151	3.7
89.06004	8.7
91.04975	4.7
91.05485	53.2
92.05801	4.2
93.07041	82.1
95.04973	46.2
95.08609	83.5
97.06535	14.7
97.10171	4.1
103.05469	4.3
105.07034	97.4
107.04977	3.5
107.08591	51.5
109.06516	19.3
109.10152	31.4
115.05466	4.0
117.07027	19.9
119.08582	100.0
121.06514	23.9
121.10155	51.5
123.08121	3.9
123.11730	16.1
128.06169	4.9
129.06995	12.3
130.07802	5.4
131.08595	28.7
133.08578	4.0
133.10126	45.4
135.08083	4.5
135.11688	10.5
137.13258	11.9
141.06970	9.6
142.07790	21.8
143.08553	27.7
144.09302	4.3
145.06505	4.1
145.10127	45.1
147.08061	5.7
147.11681	32.2
149.13272	4.0
152.36620	3.5
155.08560	12.2
156.09280	7.8
157.10121	56.9
159.08052	4.3
159.11705	45.3
161.09630	14.5
161.13260	11.8
163.11192	4.4
163.14833	3.5
167.08562	6.6
168.09343	6.9
169.10115	15.3
171.11717	21.9
173.09604	4.1
173.13260	14.9
175.11246	6.5
175.14787	17.0
177.16322	18.3
179.08562	3.9
181.10092	6.6
183.11699	16.8
185.13239	12.0
187.11148	6.2
187.14780	5.9
189.16396	10.2
193.10112	3.1
195.11826	5.9
197.13278	7.6
199.14833	8.0
201.16373	4.3
203.18002	10.2
207.11609	4.9
209.13216	10.7
211.14807	9.2
213.16299	5.3
221.13339	4.9
223.14882	5.7
225.16278	3.5
235.14825	6.7
239.17905	3.8
241.19443	5.2
253.15785	4.0
255.21036	5.8
267.20990	5.0
268.21732	4.5
271.67261	3.3
281.22733	5.0
299.40353	3.3
359.27344	5.8
377.28400	26.9
377.35226	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	377.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71517	1.7
53.03939	6.2
55.01868	8.7
55.05513	54.5
56.65071	1.8
57.03445	2.2
57.07066	2.1
57.82735	2.2
62.66454	1.9
67.05505	25.9
69.03427	7.0
69.07069	22.5
69.34062	17.3
71.04996	5.3
71.08639	5.2
79.05497	50.2
81.03423	5.1
81.07058	100.0
83.04980	8.9
83.08624	22.3
85.06542	2.1
88.11269	11.5
89.11611	3.3
91.05479	18.8
93.07045	20.7
93.93047	2.0
95.04965	15.4
95.08605	24.4
97.06521	3.0
97.10170	35.4
105.07052	19.1
107.04931	3.4
107.08595	24.5
109.06522	39.0
109.10155	12.8
111.08096	4.7
117.07023	8.0
119.08607	18.1
121.06495	3.9
121.10156	7.8
123.04437	3.2
123.08100	14.8
123.11739	2.0
125.09630	24.7
129.06995	6.1
131.04893	2.4
131.08562	6.3
133.06483	7.5
133.10135	8.5
135.08054	8.3
135.11725	3.8
137.09630	5.3
143.08577	3.8
145.06447	3.7
145.10101	10.7
147.08098	11.4
147.11671	5.1
149.09619	2.6
149.13181	2.1
151.07454	2.8
151.11171	1.9
153.09079	2.6
157.10100	5.4
159.08034	4.0
159.11720	3.2
161.09547	12.9
163.07581	2.2
163.11224	2.1
165.12753	5.5
166.13103	4.8
173.13275	3.6
175.11217	7.3
177.12791	2.4
179.10674	5.0
185.13289	2.0
187.11232	2.1
189.11269	13.7
189.12804	2.6
197.13379	2.3
207.17586	3.0
215.14427	2.8
223.13321	5.8
231.17387	3.0
232.43062	1.9
249.14917	2.9
249.18559	6.1
259.16995	8.8
261.14877	8.2
277.17990	18.6
279.25198	1.9
290.18887	12.4
291.19550	6.7
295.18887	2.3
303.19449	2.9
331.26550	2.4
341.24866	9.4
359.25803	97.0
359.30353	4.6
360.26489	2.9
368.80249	1.9
377.26709	7.9
377.31854	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	377.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01870	9.7
55.05515	42.5
56.96576	2.5
57.03436	11.1
57.07079	3.1
67.05513	23.0
67.79210	2.1
69.03410	2.7
69.07069	16.8
71.04982	2.6
73.28358	2.1
77.45612	2.2
77.98592	2.2
79.05497	47.5
81.03423	5.1
81.07057	100.0
83.04971	6.0
83.08623	22.8
91.05482	19.0
91.23634	2.2
93.07047	24.0
95.04958	8.2
95.08606	25.6
97.06499	3.2
97.10178	30.9
98.21016	18.2
105.07060	17.4
107.04985	2.8
107.08597	25.8
109.06521	38.8
109.10180	11.0
111.08086	5.5
117.07040	7.1
119.08554	12.9
121.06527	4.8
121.10155	10.1
123.08067	18.1
125.09634	25.2
129.07021	2.5
131.04958	2.8
131.08548	13.3
133.06487	4.7
133.10147	11.3
135.08026	10.0
135.11694	6.2
137.09590	2.9
143.08543	6.2
145.06435	2.9
145.10152	11.2
147.08025	4.6
147.11717	4.8
149.04897	2.3
149.09674	4.4
149.13283	3.2
151.07545	10.0
153.09134	2.6
155.08453	2.5
157.10138	6.8
159.08099	3.2
159.11664	5.0
161.09636	10.1
163.11188	4.8
171.10254	2.4
171.11726	5.7
173.13252	5.9
181.12202	5.7
183.23611	2.3
185.13268	3.1
187.14891	4.7
189.11192	17.2
189.16449	4.2
197.13127	2.7
199.14893	4.1
203.14316	2.6
207.17467	5.1
213.16331	3.0
216.52690	2.3
231.17523	4.0
233.15454	6.5
245.19644	2.4
249.18524	29.9
259.17032	4.2
261.14838	3.0
277.18005	8.7
290.18723	4.7
291.19666	3.9
295.18967	2.9
297.06412	4.5
341.24710	7.1
359.21603	4.4
359.25836	62.4
377.26816	14.7
377.31845	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	377.1461
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
52.27769	0.8
53.03945	2.5
55.01861	1.1
57.03448	8.6
61.02924	3.9
63.07172	1.0
69.03436	12.7
69.21503	0.8
70.06580	1.0
70.44699	3.1
71.01352	2.9
71.04985	3.2
73.02930	2.6
74.78941	0.9
75.04464	1.3
81.03437	4.4
88.97839	0.8
91.05492	1.8
93.01378	0.9
95.04926	1.2
99.04464	4.7
103.05481	1.1
104.33408	1.0
107.04975	1.8
108.08107	1.8
119.08511	1.0
120.08058	1.2
123.04373	1.3
137.05998	5.0
145.07632	3.3
147.04410	3.1
151.03946	1.9
157.06349	1.0
163.07640	1.0
167.07027	2.0
170.07152	2.3
172.07260	1.7
172.08722	33.2
175.07463	1.8
179.10648	1.0
181.05035	1.6
181.08614	2.1
192.07858	1.2
197.11772	1.4
198.06627	6.1
200.08212	3.4
211.07544	1.0
216.07704	16.6
217.08179	1.1
218.09467	1.4
243.08804	76.1
244.07040	1.3
244.09352	1.6
263.80133	1.1
359.13477	3.9
377.09375	3.6
377.14587	100.0
378.15091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42931	8.1
57.49503	7.1
70.07722	15.7
70.08128	24.5
70.53650	7.3
88.93849	7.0
89.03921	9.7
97.02895	10.3
98.35721	8.6
111.08045	10.3
117.03427	9.0
127.03925	100.0
135.04445	11.7
137.05957	14.0
145.02814	10.5
163.03900	75.2
169.06808	7.6
179.07121	17.3
197.08099	88.9
237.94160	7.9
289.61530	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	377.1442
Annotation	Loganate
Peak:m/z	Relative Intensity
54.96760	7.2
56.90422	7.5
69.03428	12.9
79.05508	8.7
85.02916	11.5
91.05476	12.3
92.83854	7.3
95.04949	13.8
95.08587	10.0
98.21530	18.9
102.67270	7.7
103.79516	7.7
105.07092	8.3
106.06619	8.2
107.04907	10.4
109.02858	7.9
110.48891	7.2
121.06520	7.7
127.03930	20.2
131.04915	8.1
137.05040	8.1
137.05962	54.0
146.04288	7.5
151.07553	29.1
153.05423	15.0
163.03886	10.7
175.88423	7.5
179.06993	26.4
181.08656	7.2
183.08150	10.2
197.08046	32.6
284.28790	8.1
288.09918	32.8
302.11456	29.0
303.12192	16.4
359.07635	14.8
377.08435	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
53.84266	1.3
55.01876	26.1
55.05515	100.0
57.07078	1.3
60.62924	1.2
65.03922	1.6
65.52770	1.3
66.42859	1.2
67.05510	23.5
69.07068	15.3
69.67588	4.6
69.67992	2.2
71.04987	2.6
74.52272	1.3
76.00257	1.4
79.05077	2.2
79.05498	28.3
81.03431	6.7
81.06602	2.2
81.07066	43.5
83.04967	5.9
83.08624	43.0
85.06569	1.5
91.05489	24.7
93.06478	2.1
93.07044	19.4
95.01318	1.8
95.04957	5.2
95.08611	14.8
96.56516	1.2
97.06538	52.2
97.10165	7.0
103.05456	2.5
105.06313	2.1
105.07035	40.2
107.04951	12.4
107.08598	14.5
109.06533	9.9
109.10145	5.3
111.08118	2.8
111.89336	2.3
117.07033	8.5
119.08603	20.6
121.06549	1.6
121.10169	8.9
123.08044	5.6
123.11687	4.1
125.09662	6.1
128.06235	1.5
131.08562	12.8
132.09354	1.3
133.10149	21.3
135.08028	2.3
135.11731	4.6
137.09615	1.5
139.07538	3.7
143.08620	2.6
145.06464	2.1
145.10181	11.1
147.11702	11.6
149.09624	14.9
149.13243	4.0
151.11151	1.5
157.10152	3.1
159.11702	9.4
161.13220	4.3
163.11186	6.1
163.14835	1.8
165.12843	2.4
169.10193	1.8
171.11707	2.2
173.13213	2.6
177.12714	3.7
179.14340	10.6
187.11133	3.0
189.11253	6.2
193.12332	1.4
204.92401	1.4
209.15375	1.4
215.14226	1.3
215.17970	1.5
218.44218	1.4
229.19423	3.6
239.18019	1.7
245.60030	1.3
247.20593	3.7
257.19083	9.3
275.20084	76.7
276.20404	2.2
282.98288	1.4
293.21036	4.6
304.18295	1.5
323.40744	1.3
349.50015	1.2
351.60501	1.4
375.28680	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32343	1.0
52.02581	1.1
52.51798	1.1
53.03946	6.1
55.01857	3.6
55.05515	100.0
56.79034	1.1
57.03439	2.9
57.07059	1.6
65.63464	1.2
67.05508	17.8
69.07076	8.5
69.18008	6.0
69.18444	4.6
71.04993	2.4
74.11293	1.0
76.61378	1.1
78.18430	1.1
79.05500	29.8
81.03433	3.1
81.07059	91.2
81.26747	1.3
83.04971	4.0
83.08627	48.9
85.06542	2.9
91.05484	17.0
91.38374	1.1
93.07049	19.4
95.04979	6.8
95.08613	12.7
97.06560	5.5
97.10158	1.3
98.21548	2.7
99.08100	2.5
105.07040	16.0
107.04965	6.6
107.08605	10.9
107.99451	1.1
109.06524	41.2
109.07275	2.2
109.10165	6.1
111.08079	3.5
117.07009	4.2
118.86610	1.2
119.08583	18.8
121.06509	3.4
121.10135	11.1
123.08063	4.5
123.11694	3.5
129.07004	2.0
131.08554	7.6
133.10127	17.2
135.08020	3.5
135.11670	5.2
137.09598	3.5
142.07849	1.6
143.08574	1.3
145.10133	8.5
147.07950	1.7
147.11694	11.6
149.09579	4.6
149.13283	10.2
151.11182	2.3
157.10162	3.5
159.11691	7.0
161.09608	1.2
161.13278	3.7
163.11171	6.2
163.14806	4.9
165.12743	4.6
169.10083	2.3
173.13254	4.3
175.11191	1.4
175.14827	1.4
183.11633	1.6
187.14813	1.6
193.12244	5.1
215.18088	1.5
229.19518	4.8
239.17900	2.0
247.20549	7.6
257.19028	4.8
275.20068	70.6
280.13306	1.3
293.21133	11.4
375.29333	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	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.73676	1.4
55.01863	5.2
55.05515	100.0
57.03439	1.9
65.03898	1.4
67.05508	20.0
69.03440	1.5
69.07072	7.2
71.04956	1.5
71.50533	1.9
72.93806	1.2
79.05498	16.3
81.07058	22.1
83.08623	47.6
85.06522	2.0
91.05484	13.1
93.07047	12.9
95.04974	7.1
95.08598	13.0
97.06534	9.5
105.07043	18.1
105.19678	1.4
107.04929	2.3
107.08607	10.7
109.06518	5.7
109.10154	5.2
111.08077	2.5
114.07338	1.5
117.07023	7.3
119.08589	17.9
121.06506	1.9
121.10149	8.1
123.08076	3.8
123.11710	3.1
129.06984	3.4
131.08591	9.6
133.10136	12.1
135.08070	4.0
135.11681	4.0
137.09613	4.5
143.08609	3.3
145.10132	9.2
147.11713	10.9
149.09636	7.0
149.13257	2.0
151.11185	3.3
155.08516	1.9
159.11674	7.2
160.46251	1.3
161.13293	4.1
163.11197	4.4
165.09297	1.5
171.11810	2.8
173.13295	5.6
175.11261	2.2
177.12798	1.5
193.12440	1.8
203.26617	1.6
219.17604	2.6
229.19530	1.8
247.20564	3.9
256.90091	1.4
257.19000	3.8
271.06451	1.9
275.20065	52.6
293.21130	4.6
357.27875	4.9
375.29303	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.05519	31.7
57.07068	5.0
67.05510	29.4
68.58246	2.7
69.03438	3.7
69.07082	13.9
69.22823	19.8
78.61967	2.9
79.05499	36.6
81.03405	3.4
81.07068	47.1
81.97019	2.9
83.08647	16.0
91.05502	47.5
93.07060	56.6
95.01300	2.8
95.04982	34.5
95.08624	44.7
97.06541	8.8
103.05479	7.1
105.07040	100.0
107.04977	3.7
107.08612	45.2
109.06542	9.9
109.10162	18.2
115.05419	4.6
117.07053	17.1
119.08600	73.1
121.06530	15.3
121.10158	58.2
123.11746	5.2
128.06232	9.9
129.07027	13.0
130.07785	5.2
131.08577	39.2
133.10159	33.2
135.08052	3.5
135.11732	13.1
135.42894	2.6
138.55917	2.6
139.46208	2.5
141.06976	5.5
142.07805	20.3
142.13815	2.7
143.08571	27.8
144.09358	7.9
145.10139	57.7
147.11736	21.4
149.09639	5.3
149.13292	3.1
155.08600	9.9
156.09383	9.1
157.10143	41.9
158.10875	2.8
159.11720	26.7
161.09634	10.5
161.13274	5.0
163.11293	3.5
169.10118	15.3
171.11644	16.0
173.09595	2.7
173.13258	10.8
175.11195	6.9
175.14838	8.6
179.08548	4.1
181.10159	6.7
182.10950	4.2
183.11703	11.9
185.13235	6.8
187.11205	4.3
187.14876	12.7
193.10138	11.2
194.11041	3.7
195.11711	11.4
197.13232	6.9
199.14885	9.1
201.16528	4.3
206.10962	4.8
209.13312	9.5
211.14902	7.0
221.13309	3.4
223.14893	3.9
225.16573	3.1
235.14822	4.0
253.19684	3.5
263.18005	4.8
266.20380	2.9
275.20129	5.0
343.22467	7.7
346.24020	2.9
357.25656	3.6
375.26685	29.8
375.36694	4.6
399.95776	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	2.7
53.03942	10.5
55.01856	2.3
55.05520	18.1
55.10960	1.8
57.07058	4.7
65.03938	4.4
67.05508	30.8
67.68545	2.1
69.03413	2.0
69.07077	12.6
70.74541	4.4
71.04974	2.1
79.05070	3.1
79.05493	39.1
81.06602	3.6
81.07059	58.5
83.04964	5.0
91.05485	54.7
93.07047	68.3
95.04979	37.7
95.08611	37.8
97.06532	7.8
103.05454	4.8
105.04537	3.5
105.07030	100.0
107.07890	2.7
107.08600	44.0
109.06509	7.9
109.10154	25.0
115.05443	7.1
117.07017	16.3
119.06074	1.9
119.08580	74.0
121.06542	14.5
121.10145	66.2
123.08068	6.8
123.11690	7.2
124.05651	1.8
128.06226	9.0
129.07007	14.3
130.07741	6.3
131.08568	38.2
132.09364	3.3
133.07576	2.9
133.10126	45.3
135.08073	3.1
135.11693	16.0
141.06950	3.6
142.07748	18.6
143.08560	33.8
144.09317	9.1
145.06433	2.6
145.10120	58.2
146.07230	2.8
147.07993	2.6
147.11688	19.6
149.09802	1.9
153.07002	4.7
155.08563	12.8
156.09303	6.4
157.10147	39.6
157.11362	4.3
158.10870	4.7
159.08122	3.2
159.11702	26.6
161.09601	9.0
161.13274	4.6
165.06989	3.8
167.08572	5.8
168.09369	2.9
169.10112	16.0
170.10857	4.8
171.11681	14.5
172.12401	3.3
173.09602	3.9
173.13240	19.5
175.11230	4.3
175.14815	6.9
179.08528	6.4
180.09296	3.3
181.10109	8.7
182.10846	6.4
183.11673	15.0
184.12408	2.7
185.13258	9.8
187.11163	4.0
187.14827	14.0
189.16388	2.3
193.10126	6.2
194.10896	6.5
195.11684	11.7
196.12462	2.9
197.13289	11.6
199.14777	7.1
201.16328	3.1
206.10925	4.4
207.11737	5.0
208.12405	3.5
209.13277	14.8
210.13992	4.3
211.14832	6.1
212.80785	2.5
213.16376	2.7
220.12527	2.4
221.13091	4.7
223.14832	5.0
225.16437	5.6
234.14009	2.2
235.14897	3.7
236.15353	2.3
237.16386	2.9
239.14145	2.5
239.17867	3.4
245.01756	2.0
249.16304	3.1
251.18005	2.2
253.15921	3.4
253.19472	3.3
265.19717	3.2
266.20227	2.6
277.19440	2.5
279.21063	2.6
281.19022	3.0
310.74908	2.1
357.25845	3.8
375.26840	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2381
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03955	2.8
55.01874	5.1
55.05516	20.9
57.03443	10.1
57.07093	3.4
59.05004	3.6
61.02932	11.6
67.05514	8.9
69.03440	36.2
69.07076	46.3
69.31525	6.4
69.31951	6.8
71.05000	10.2
73.02926	4.0
79.05499	7.2
81.03426	12.4
81.07066	28.0
83.04985	8.6
83.08624	6.9
85.02914	84.1
85.06556	21.1
87.04475	5.7
91.03967	7.1
91.05470	3.2
93.07061	12.6
95.05001	1.8
95.08619	44.7
97.02905	27.0
97.06560	2.9
97.10192	13.1
98.21531	3.6
99.04443	4.7
99.08105	25.0
105.07041	3.5
107.08597	25.3
109.02899	7.9
109.06522	1.9
109.10179	18.0
111.08105	2.2
111.11735	6.1
113.09633	9.4
115.03984	2.0
121.06512	3.4
121.10155	37.0
123.11728	9.6
125.09656	8.8
127.03932	24.6
135.11716	18.9
137.06018	2.4
137.13272	22.6
139.11230	11.8
145.04973	15.0
149.13246	5.6
151.14873	4.3
153.12746	11.1
167.07085	5.4
175.07622	5.7
177.09084	2.4
177.16414	100.0
193.08604	2.3
195.17468	39.7
203.10782	2.9
213.18530	49.7
339.93109	2.0
375.14594	2.7
375.23593	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	375.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
54.34268	1.8
55.01881	5.3
55.05508	7.2
57.03434	2.8
61.02946	2.4
67.05512	4.3
69.03434	11.3
69.07080	11.3
71.04995	4.0
71.48654	2.2
73.02901	2.0
77.19131	1.5
79.05508	12.8
81.03416	5.6
81.07060	10.3
83.05002	2.5
83.08636	1.9
85.02911	25.3
85.06542	5.4
89.97823	1.8
91.05476	13.9
93.07056	5.7
95.04982	6.5
95.08618	11.5
97.02899	7.4
97.06554	3.0
97.10202	3.0
99.08129	4.5
103.05493	12.7
105.07043	30.4
106.04230	2.2
107.04967	25.2
107.08578	9.0
109.02865	3.1
109.10181	4.3
111.04459	3.4
111.11746	2.4
113.09621	2.0
115.05466	12.8
117.07039	17.3
119.04970	6.4
119.08589	5.1
121.06551	8.3
121.10153	8.3
121.86904	1.7
123.11695	3.3
125.06007	5.3
127.03963	6.2
128.06209	12.8
129.07042	3.6
131.04951	7.4
131.08594	3.9
132.05743	3.4
133.02875	3.1
133.06549	14.1
135.04472	2.6
135.08101	6.1
135.11690	6.6
137.05998	15.3
137.13287	4.1
139.11182	2.5
141.05481	1.7
142.23773	1.7
143.04951	2.4
143.08556	12.4
144.05710	3.2
145.04970	3.2
145.06522	15.6
145.10098	4.2
146.07262	5.9
147.04410	5.4
147.08055	5.0
148.05281	2.2
149.06015	5.3
149.13155	1.9
151.03923	7.5
151.07550	14.1
153.05508	6.7
153.06902	2.0
153.12770	1.9
155.05960	2.1
157.06523	3.6
159.08098	2.3
160.05287	5.2
160.08835	3.9
161.05975	16.4
161.09679	7.1
162.06792	11.5
163.03946	14.2
163.07541	13.0
165.05495	3.5
165.09151	4.2
166.06276	2.1
167.03387	3.1
167.07069	32.7
171.08073	9.8
174.06877	2.1
175.07568	100.0
175.11143	11.9
176.07867	2.5
177.05478	2.0
177.09119	13.4
177.16399	21.0
178.06274	17.0
179.07077	5.4
179.10690	4.2
181.05014	3.0
181.08572	21.2
187.07574	2.8
188.08293	13.0
189.09032	4.1
191.10735	2.0
193.08652	26.9
194.07314	2.1
194.09407	5.0
195.06468	2.9
195.10214	25.2
195.17438	14.3
203.06946	2.8
203.10687	66.8
207.10193	1.9
209.09668	2.2
210.06758	2.4
213.18506	12.0
221.11748	33.0
223.07520	2.6
224.24208	2.2
235.07649	3.7
236.08394	2.0
251.07050	1.9
253.08446	2.3
264.07840	2.3
265.08643	3.7
267.10254	3.2
269.08136	2.2
269.11902	2.0
283.09705	1.9
297.11270	2.7
299.09311	2.6
301.10651	2.0
311.12875	2.6
313.10794	2.7
327.12152	2.3
328.12979	1.9
329.13925	11.4
345.13181	3.1
357.13242	5.1
357.17242	3.1
375.18198	11.9
396.63174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80448	1.0
53.03954	3.0
55.01869	3.2
69.23299	1.1
70.60603	2.9
70.60937	1.4
77.85597	1.4
79.05493	10.1
81.07068	1.4
82.57034	1.2
89.46024	1.1
91.05480	13.6
93.07045	3.7
95.04972	3.8
103.05470	11.9
104.06276	1.9
105.07033	27.0
107.04961	25.8
109.06524	2.2
115.05453	18.0
117.07017	17.2
118.04221	2.2
119.04945	3.5
119.08592	4.0
119.82070	1.3
120.05743	1.2
121.06487	7.2
123.04440	3.2
123.08099	2.1
124.05188	2.5
125.05989	1.4
128.01544	1.2
128.06232	13.3
129.07013	2.6
131.04971	6.4
131.08551	2.3
132.05710	3.5
133.06494	14.8
135.08043	5.5
137.05972	11.9
143.04936	3.9
143.06006	1.5
143.08577	15.8
144.05714	1.8
145.06502	16.4
145.10172	2.8
146.07281	7.2
147.04420	2.8
147.08046	7.5
149.05983	2.6
151.07556	14.3
152.04596	1.3
153.05467	5.8
153.06818	1.3
155.06038	1.7
157.06490	1.9
159.08076	3.2
160.05193	6.1
160.08827	4.6
161.06010	11.6
161.09650	5.8
162.06738	11.8
163.03947	12.2
163.07555	12.2
165.05518	1.4
165.09113	3.5
166.06334	1.9
167.07040	28.5
171.08051	14.0
172.08815	2.5
174.06743	1.3
175.07547	100.0
175.11159	14.9
176.07921	2.5
177.05481	2.8
177.09123	13.4
178.06271	18.5
178.07697	2.3
179.06990	2.2
179.10695	4.6
180.07889	1.7
181.05035	3.0
181.08600	26.3
185.09583	1.4
188.08336	13.7
189.09093	2.7
191.07069	1.5
191.10681	3.6
193.08612	30.4
194.07214	1.5
194.09277	1.5
195.08345	2.5
195.10182	28.1
195.11894	2.2
203.10677	74.0
203.91655	1.2
207.10275	1.8
209.09686	2.2
211.07512	1.6
219.08061	1.3
221.11734	34.5
223.07680	1.6
235.07591	1.4
250.06253	1.5
254.09256	1.4
265.08832	2.9
267.10168	2.7
269.11749	1.7
297.11230	3.1
299.12680	1.5
311.12753	1.6
313.10812	1.4
325.14523	1.3
329.13779	9.9
331.15308	1.3
357.17139	2.1
375.14563	1.7
375.18149	16.7
386.09848	1.4
395.96478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03943	1.7
54.05698	0.8
55.01858	2.0
65.03931	2.3
67.05503	2.6
69.03433	1.6
69.73178	0.9
70.06580	0.8
70.65747	2.5
79.05499	1.4
81.03419	8.8
85.02896	2.9
87.00814	1.1
91.05479	4.2
92.05827	3.1
93.03400	1.6
93.07055	1.1
94.04211	1.6
95.04963	1.7
97.02914	0.7
103.05485	1.0
103.70499	1.0
105.07053	1.2
107.04960	1.7
108.02110	3.1
109.06503	2.3
111.04430	1.8
115.05456	3.5
122.03640	3.3
123.04427	1.0
125.05972	1.8
127.03933	1.9
128.04208	1.0
128.06236	2.6
128.21886	0.7
129.07033	7.4
131.04912	2.6
133.90584	0.8
137.05989	46.1
140.87122	0.8
141.05449	2.4
143.04936	4.0
145.04951	0.9
145.06494	1.5
147.08032	2.5
149.05981	2.9
151.03923	100.0
151.05042	10.7
152.04337	1.5
153.05475	3.4
157.06526	9.6
159.04399	1.3
160.05197	1.9
161.05989	2.9
161.09595	0.8
163.07523	1.2
165.05499	1.8
167.07010	1.7
171.04417	3.4
174.06734	1.2
175.07579	6.2
177.05389	1.0
181.04947	2.2
187.07495	1.3
189.09097	8.5
191.07045	8.8
203.07042	24.0
205.08585	4.3
215.06964	1.1
219.08015	2.1
221.06117	1.5
221.08057	8.0
233.08063	3.8
234.53961	0.8
235.07503	1.4
243.06464	0.9
246.06766	1.0
247.07541	1.3
259.16718	0.9
261.09131	1.0
277.08496	1.0
279.10248	2.1
286.08377	2.6
295.09665	3.4
299.09317	0.8
307.09683	3.6
311.12924	1.6
312.09970	1.1
321.11191	3.9
327.12296	7.3
339.12454	5.7
357.13678	5.9
383.45438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71742	8.4
57.95269	8.5
63.55909	8.0
69.20305	87.2
79.05482	18.3
85.56426	7.9
95.04964	27.5
107.04948	100.0
109.02853	12.2
123.04437	9.8
125.02410	12.2
149.06021	10.9
151.03938	70.1
151.81688	9.1
177.05501	15.7
195.06477	19.1
226.01540	8.6
240.50525	8.6
304.28036	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	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52691	1.0
52.84705	0.8
53.03934	3.2
53.63209	0.8
55.01863	3.2
57.03427	2.5
61.02920	2.1
65.03940	2.0
66.38715	1.0
69.03433	14.6
70.06584	2.2
70.74662	3.2
71.04989	2.5
73.02919	3.5
81.03428	12.4
85.02911	45.6
86.09699	1.6
87.00842	18.7
91.05488	100.0
92.05799	1.1
97.02901	14.5
99.04456	4.3
105.01875	29.1
105.07030	1.7
108.04491	1.6
109.02888	11.8
115.03930	1.4
127.03925	33.8
129.01886	1.6
129.06998	1.8
133.06606	1.1
136.23642	1.0
137.05981	2.8
139.08650	1.7
145.04973	17.0
145.06113	1.7
145.06581	1.6
147.02916	1.8
149.06024	1.1
151.03917	6.3
157.06516	1.9
159.02942	8.8
169.66197	1.0
171.02863	1.7
171.08139	1.3
175.07549	2.2
187.27982	1.0
189.03937	3.0
189.09071	1.1
195.06471	1.1
199.07436	2.0
217.08566	2.1
218.06346	1.0
231.05051	9.8
231.11401	1.6
248.07602	1.0
249.06061	1.7
363.01492	1.1
374.13571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.071
Annotation	Melinervin
Peak:m/z	Relative Intensity
53.47345	0.3
68.99787	0.4
69.27446	3.3
75.88283	0.3
88.57465	0.3
102.04671	0.4
107.34314	0.4
124.56136	0.3
131.04967	0.7
155.04958	0.4
159.04349	0.4
161.05942	0.5
171.04407	1.6
172.05215	0.5
173.02370	0.4
173.05986	1.0
175.03978	0.6
183.04424	0.4
184.05272	1.0
187.03880	1.7
189.05507	0.9
199.03876	1.7
201.05537	0.5
202.02692	0.4
203.03539	0.6
203.07118	0.5
205.04994	0.5
205.25691	0.4
212.04645	1.3
212.06474	0.4
215.03400	4.1
217.05026	0.8
218.02100	0.9
225.01892	0.6
227.03334	2.2
229.04985	0.9
230.05774	1.6
231.02901	0.8
233.04520	0.8
241.01488	0.7
241.04852	0.5
243.02895	7.4
244.03848	0.4
245.04482	2.7
246.01530	0.7
247.02357	0.4
253.01390	1.0
255.02872	1.1
257.00888	0.8
257.04517	1.7
258.05203	3.5
259.06055	0.6
261.03925	2.8
268.03647	1.0
270.05283	0.8
271.02374	8.1
273.03867	2.5
274.01062	1.1
283.02423	2.6
283.99591	0.6
285.04022	1.6
286.01538	0.6
286.04636	2.4
287.05542	0.6
288.06165	0.9
289.03403	2.0
296.03162	0.6
298.01025	0.7
299.01874	4.4
300.02707	1.1
301.03445	4.9
302.00577	6.4
303.01270	1.3
303.08426	0.4
304.05856	0.5
311.01956	0.8
312.02679	0.5
312.99811	0.5
313.03473	0.7
314.04263	2.2
315.04904	1.2
316.02261	0.7
316.05780	1.5
316.99377	0.3
317.02917	5.3
319.04431	1.0
326.04321	1.2
327.01260	1.1
328.02029	0.5
329.02924	6.2
329.99976	2.5
330.03375	0.6
331.00919	0.7
331.04559	2.1
331.08167	0.7
342.03693	17.6
343.04361	1.0
344.01532	0.4
344.05222	5.5
345.02423	9.9
346.03333	0.5
347.07626	0.5
359.04034	2.5
360.04755	20.7
375.07114	100.0
376.07443	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	373.1838
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
54.11850	0.4
70.31853	1.3
72.08138	0.5
81.37814	0.3
84.28020	0.4
85.02910	0.7
86.09729	2.2
95.04987	0.8
97.02901	0.4
105.07016	0.6
107.04984	0.7
108.04508	0.5
110.74245	0.4
116.97079	0.4
123.04430	0.8
137.05992	1.5
139.03899	0.5
142.75642	0.5
144.08141	0.4
146.06027	0.5
151.03955	0.8
159.04251	0.5
167.07016	1.1
168.06607	0.7
175.07681	0.5
277.13345	1.5
295.14359	0.8
355.16464	0.7
370.02185	0.4
373.18347	100.0
374.18750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01868	3.5
55.05502	8.8
57.03441	2.6
57.60835	1.9
59.05004	3.8
60.67657	2.4
61.02919	4.6
64.72537	1.9
65.03929	3.1
67.05504	15.8
69.03445	18.2
69.07062	6.3
70.06587	3.4
71.04984	6.1
71.48305	3.6
72.08154	2.5
73.02924	2.9
79.05495	11.1
81.03416	9.2
81.07057	12.6
83.04980	7.0
83.08622	4.0
83.89391	2.1
85.02920	30.3
85.06525	5.2
86.09703	7.5
91.05479	9.0
93.07048	22.7
95.04971	23.6
95.08614	28.2
97.02908	9.7
97.06556	3.0
99.04450	8.1
99.08100	100.0
103.05428	4.2
105.07026	12.6
106.06544	3.2
107.04967	29.1
107.08620	13.8
108.04502	2.2
109.02863	5.5
109.06545	5.3
109.10167	31.4
110.09647	2.0
111.04416	4.4
113.06030	3.3
115.05443	2.9
117.06956	2.4
118.06613	2.7
119.04942	2.7
119.08581	11.5
120.08153	2.1
121.06480	4.6
121.10157	6.5
122.03649	3.0
123.04440	4.6
123.08083	4.9
123.11710	3.8
124.07574	5.5
125.01521	5.0
125.02372	8.1
125.06008	5.1
125.09605	6.4
127.03907	7.6
130.06494	3.2
131.04916	7.4
131.08572	3.0
132.05725	3.4
132.08095	2.3
133.06497	3.8
133.10167	11.4
134.06013	7.9
135.04381	7.3
135.08061	8.6
135.11687	21.1
137.05977	33.1
137.09639	18.0
144.08060	4.4
145.04988	5.2
146.06003	2.5
147.04440	5.1
147.08015	2.9
149.02379	2.5
149.05966	6.5
151.03900	14.7
151.07549	3.0
151.11168	2.2
153.05453	6.0
155.10698	23.7
156.10986	2.0
159.08093	2.4
160.07552	4.4
161.06015	6.0
162.06778	2.3
163.03908	5.2
163.07561	25.0
165.05528	2.9
165.16428	3.6
167.07080	25.6
167.41287	2.4
170.05887	1.9
171.02109	15.5
174.09178	2.7
175.07570	4.7
175.09941	3.4
175.14825	13.3
176.10696	2.6
177.05487	7.7
179.03413	15.0
179.06978	2.8
181.04915	3.0
181.08543	3.2
187.03957	5.2
187.07585	4.7
191.07091	2.8
192.07854	3.0
193.08673	2.3
193.15907	30.4
194.08170	4.4
194.11806	7.3
195.06496	2.5
195.10146	11.4
211.16963	56.2
212.12880	3.5
219.10269	2.7
221.05978	2.9
221.11208	2.1
235.07480	2.6
249.10136	2.0
267.11191	2.7
277.13348	15.3
279.15057	2.3
293.08063	2.3
295.14374	4.7
311.09134	2.1
313.11667	6.1
341.10187	5.1
341.13913	2.5
355.16473	17.0
373.13608	13.9
373.17911	44.3
373.22641	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1496
Annotation	Syringin
Peak:m/z	Relative Intensity
53.03938	2.4
55.01857	2.2
57.03430	3.7
61.02915	5.8
69.03435	13.8
71.04986	1.9
71.45272	2.7
72.61211	1.9
79.05499	2.8
81.03413	5.7
85.02914	46.9
91.03997	2.8
91.05477	11.2
93.07090	2.6
95.05009	3.1
97.02905	14.8
103.05479	3.7
105.07037	7.5
107.04964	2.8
109.02893	8.2
115.72747	1.7
118.04191	2.2
119.04971	15.7
123.04469	11.4
123.08071	3.6
127.03928	17.3
133.06454	5.3
135.08063	3.7
136.05209	3.0
137.05983	5.5
145.04912	3.7
147.04442	14.9
150.06824	3.2
151.03934	2.3
151.07556	13.5
155.03427	20.4
165.09122	13.3
167.07094	2.8
170.05763	100.0
171.06049	2.2
179.07060	70.1
183.06555	4.5
193.08611	46.1
198.93474	1.8
209.08131	3.2
211.07855	3.3
211.09697	38.9
317.55902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0554
Annotation	Eckol
Peak:m/z	Relative Intensity
55.05504	1.0
56.96561	1.4
57.03443	1.2
65.47600	0.7
67.05508	4.0
69.03428	2.1
71.48898	1.0
73.62110	0.7
74.78874	0.6
78.16032	0.7
79.05478	0.8
81.03426	1.9
81.07048	1.2
83.04966	1.8
85.02892	1.6
91.05499	1.8
93.07053	1.1
95.04939	0.8
95.08614	1.1
97.02915	1.4
105.07031	1.8
107.58890	0.6
108.21312	0.8
109.10161	3.3
117.07028	0.9
121.10166	0.8
127.03941	0.9
127.98039	0.7
128.06248	0.7
129.05530	0.9
130.58919	0.6
139.69711	0.7
144.08034	1.1
160.83519	0.6
167.07002	1.0
173.02368	1.0
173.11761	1.7
185.02281	0.7
187.04005	0.8
198.03133	0.9
201.01888	0.9
202.07971	0.7
203.70216	0.7
214.02504	0.9
222.46519	0.6
226.02626	2.1
228.04082	0.9
229.01376	1.3
231.03081	0.8
242.02119	1.2
242.08833	0.8
243.03017	1.0
254.02112	2.5
256.03613	1.2
257.00803	4.6
259.02505	2.2
269.00873	1.9
271.02399	1.9
271.99554	1.4
272.03183	1.0
282.01505	2.1
283.02515	1.3
284.03073	3.7
285.00375	7.1
287.01840	1.3
297.00302	11.2
299.01868	1.6
299.15271	0.7
299.99258	1.3
300.02567	1.0
310.01102	1.6
311.01849	3.4
312.02597	3.1
312.99951	3.2
314.00388	1.5
315.01376	15.0
315.05032	6.2
324.99902	1.7
327.01471	2.7
328.02213	1.0
329.02972	1.2
329.20132	1.2
339.01437	1.2
340.02179	7.3
340.99353	3.1
343.00885	41.8
343.04529	4.3
357.02316	1.3
358.03226	22.1
373.05573	100.0
373.18460	2.9
373.22888	6.5
374.05835	1.8
386.36420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0556
Annotation	Eckol
Peak:m/z	Relative Intensity
56.95920	0.4
62.49857	0.5
67.05496	1.2
69.03419	0.9
69.07055	0.5
71.33541	0.8
79.05476	0.5
81.03418	0.7
81.07025	0.5
83.04963	0.4
86.42861	0.4
91.05450	0.4
94.28251	0.4
95.04948	0.5
97.02875	0.4
103.05468	0.4
105.07059	0.6
109.10175	1.0
115.05447	1.0
116.06245	0.4
117.64460	0.4
129.06908	0.4
131.04907	0.8
131.08563	0.4
147.04414	1.1
151.03905	4.5
151.04991	0.6
155.04903	0.8
157.06474	0.5
157.10063	0.4
162.83542	0.4
167.07054	0.4
170.03545	0.8
170.09654	0.4
171.04372	1.5
172.05243	0.8
173.02266	0.4
173.11789	0.8
175.03947	1.1
181.04971	0.6
184.05325	0.5
185.02371	0.9
186.03133	0.4
187.03917	2.3
189.01833	0.8
198.03094	0.7
199.03920	1.7
200.04617	1.1
201.01788	1.3
201.05392	0.5
202.02394	0.4
203.03400	2.3
205.08531	0.7
212.04716	0.4
213.01790	2.2
213.05165	0.5
214.02635	0.8
215.03389	2.4
216.04245	0.5
217.01422	0.7
218.05730	0.5
225.01897	0.7
226.02609	1.0
227.03439	2.1
228.04066	0.8
229.01369	1.2
229.04884	0.5
229.86888	0.4
230.02249	0.5
230.05766	0.6
231.02876	4.9
232.65704	0.4
234.78236	0.4
235.09419	0.5
240.04195	0.5
241.01323	4.1
241.04961	0.7
242.02116	1.3
243.02876	4.0
244.03723	0.6
245.00772	0.4
245.04483	0.9
246.05092	0.5
253.01373	0.6
254.02150	0.7
255.02876	1.2
255.98019	0.4
256.03705	2.6
257.00821	3.3
257.04477	1.0
259.02368	4.4
260.02908	0.4
269.00870	3.9
269.03683	0.7
270.01715	1.3
271.02362	7.4
272.03058	0.8
273.04019	0.7
274.04764	0.7
283.02466	0.6
284.03165	2.4
285.00311	2.6
285.03879	2.4
286.01062	3.1
286.04688	1.4
287.01877	13.3
289.03445	0.8
297.00250	2.9
298.00934	0.5
299.01877	4.4
300.02649	2.0
301.00052	0.8
301.03378	4.4
302.04147	1.0
312.02646	2.2
312.99759	1.6
313.03436	4.1
314.00723	1.1
314.04181	19.6
315.01373	14.0
315.04749	1.2
316.02139	1.8
317.02707	0.4
317.06387	0.4
327.01215	2.1
328.02194	0.8
328.99408	0.6
329.02881	5.9
330.03696	26.1
331.04065	0.6
340.02206	0.5
342.03702	4.7
343.00821	5.7
343.04517	0.5
345.06049	19.4
358.03174	18.1
371.04031	0.7
373.05533	100.0
373.22922	1.3
374.05872	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01882	3.3
55.05516	18.2
57.03439	2.6
57.07069	7.3
59.04997	2.7
61.02927	5.4
63.74032	2.5
66.04244	2.4
67.05508	8.6
69.03436	34.0
69.07069	15.6
69.38329	10.7
69.38754	7.4
70.06602	6.7
71.04994	6.3
72.74847	2.6
73.02927	2.9
73.04758	13.0
75.64373	2.2
78.55916	2.4
79.05491	19.2
81.03425	21.5
81.07060	38.8
83.04987	33.5
83.08627	26.9
85.02908	62.9
85.06550	3.4
89.03903	3.2
91.05875	15.4
93.03425	2.5
93.07053	17.5
95.04979	9.4
95.08614	9.9
97.02897	25.5
97.06554	7.7
98.20771	5.5
98.97556	2.9
99.04459	9.5
99.29070	2.7
105.03390	4.4
105.07030	6.5
106.03786	2.7
107.04961	15.7
107.08598	22.9
108.05295	5.9
109.02885	42.8
109.06538	24.5
109.10160	19.1
111.04456	13.4
111.08095	10.7
112.04802	3.7
115.04016	2.5
115.05450	3.5
117.03411	4.3
117.07039	3.3
117.32091	2.3
119.08585	8.0
120.08125	6.3
121.02920	4.2
121.06490	3.4
121.10137	16.0
123.04436	6.8
123.08057	3.3
123.11732	9.3
125.09637	6.7
125.13251	3.7
127.03927	46.4
129.05484	9.7
130.06523	8.6
131.08582	4.2
133.02884	14.7
133.10129	11.5
134.03186	9.2
135.04424	8.8
135.08035	6.2
137.02388	3.8
137.06032	5.9
139.03903	7.4
139.07538	3.5
139.11188	4.0
140.04257	5.2
145.02847	3.2
145.04994	11.0
146.06038	10.1
147.04514	2.7
148.03940	18.6
148.07582	3.0
149.13240	24.7
150.05536	3.1
151.03899	8.7
151.07553	4.5
151.11217	9.6
152.04297	4.6
153.09106	4.9
156.05679	2.9
157.05003	4.0
160.07564	6.3
161.02370	6.9
161.06026	2.8
162.02667	5.4
163.03926	22.5
163.14836	2.8
167.07072	10.5
167.14326	32.6
169.04958	2.6
169.12263	3.4
173.13338	6.9
175.06085	4.0
175.07521	3.3
176.07127	6.1
179.03415	34.8
180.03694	25.7
181.12358	3.0
187.06030	11.6
191.14287	18.2
192.25140	2.6
204.05644	2.7
205.07059	18.0
209.15384	32.8
217.05055	3.3
217.08682	6.7
237.02843	5.8
257.15793	2.3
260.25616	2.4
267.00226	3.6
268.98053	5.7
285.00955	10.1
353.19745	5.2
355.07257	7.0
356.18103	2.5
371.11877	5.7
371.16568	100.0
371.20578	14.0
372.16782	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1969
Annotation	Kopsiloscine I
Peak:m/z	Relative Intensity
52.18525	0.4
54.69588	0.4
56.05036	0.8
64.60564	0.3
69.32771	2.4
74.21076	0.3
79.05505	0.7
81.07055	0.4
82.06577	0.6
84.14357	0.3
91.05466	0.7
93.05775	0.3
96.04462	0.5
96.08122	1.1
98.20827	0.8
103.05501	0.4
105.07011	0.4
108.08121	2.3
115.04015	0.4
115.05473	0.8
117.05843	0.3
117.07027	4.9
118.06535	0.5
120.83355	0.3
130.06572	0.9
143.07312	3.1
144.08095	100.0
145.06430	0.5
145.08424	0.5
150.09163	1.4
154.67487	0.4
155.06081	1.0
156.08073	0.7
158.09648	1.5
167.07150	0.4
168.08028	0.9
170.09680	1.6
171.09163	0.4
178.08658	1.5
180.08136	0.5
182.09769	0.8
182.11807	1.4
184.10020	0.4
189.53532	0.3
192.10217	0.4
194.09741	0.5
194.11702	0.8
196.11247	0.9
208.11234	0.9
210.11281	4.3
217.08812	0.4
228.12328	2.1
234.12869	0.7
240.12415	1.1
250.12202	0.4
251.15431	1.2
269.21307	0.4
320.66412	0.4
325.15622	0.4
325.19131	0.9
353.18683	6.2
371.19690	53.8
372.20047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03948	9.9
55.01853	5.7
55.05524	28.2
55.43111	4.7
57.03432	7.7
57.07069	14.5
61.02903	6.2
67.05489	18.5
69.03432	30.3
69.07062	24.1
69.33623	26.4
69.34053	14.7
71.04983	6.7
73.04751	5.6
79.05502	45.5
81.03414	22.9
81.07055	100.0
83.04988	33.0
83.08619	51.6
85.02921	32.4
85.06538	7.8
91.05474	17.9
93.07058	55.6
95.04955	17.6
95.08606	21.3
97.02901	17.3
97.06529	19.6
99.04433	9.9
103.05500	6.4
105.07025	21.0
105.07701	4.7
107.04958	14.7
107.08624	51.2
109.02873	19.5
109.06519	93.5
109.10159	32.0
111.08060	18.2
119.08601	16.7
121.10166	37.1
121.74178	4.6
122.03667	5.6
123.04520	6.7
123.08042	9.5
123.11707	19.5
125.09592	5.2
125.13315	6.4
127.03886	20.5
129.07030	10.3
131.08572	13.3
133.08450	6.3
133.10143	24.9
135.08051	16.2
137.05991	29.4
139.07536	6.2
144.08109	8.3
145.10094	5.9
147.11702	8.9
148.02396	5.0
148.86681	5.0
149.09584	8.3
149.13266	51.6
151.07565	6.7
151.11185	13.4
156.05672	5.5
160.07590	33.4
161.07938	8.2
167.07069	28.3
167.14325	55.6
169.12299	5.2
173.13306	28.5
175.07634	5.5
175.11177	12.1
176.11497	6.7
187.03951	5.8
187.07593	11.4
191.14359	60.5
209.15427	36.4
217.08563	24.4
247.09703	10.0
249.09126	5.8
261.09149	8.3
262.03635	4.8
278.09543	5.4
285.07571	11.8
293.11514	6.1
300.09851	7.7
306.09018	5.6
321.11273	7.9
339.12213	7.5
353.13937	17.6
353.19452	7.3
371.15146	12.1
371.20102	46.4
371.37027	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1968
Annotation	Kopsiloscine I
Peak:m/z	Relative Intensity
56.05048	0.7
69.27122	0.3
69.39823	1.6
79.05470	0.3
79.64254	0.3
80.05019	0.3
82.06584	0.9
87.50014	0.3
91.05503	0.6
96.08134	0.4
98.18156	0.3
103.05456	0.5
106.83405	0.3
108.08113	1.2
108.08804	0.3
115.05448	0.9
117.05824	0.3
117.07031	4.1
120.08134	0.3
126.09158	0.6
130.06514	0.9
138.09145	0.3
143.07318	2.2
144.08096	100.0
145.06563	0.5
145.08456	0.8
150.09148	0.7
155.06061	0.8
156.08090	1.1
158.09709	0.8
168.08099	0.5
170.09630	1.1
178.08635	1.1
180.08134	0.4
182.09636	0.5
182.11803	0.6
194.11765	0.3
196.11380	0.5
206.09752	0.5
207.06297	0.4
208.11304	0.8
210.11320	2.5
222.12987	0.6
228.12318	2.4
234.12793	0.7
235.13664	0.3
240.12387	2.1
251.15578	0.7
278.11676	0.5
321.16101	0.4
336.16003	0.3
353.18738	2.7
371.19687	49.5
372.19965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1966
Annotation	18-Hydroxyepialloyohimbine
Peak:m/z	Relative Intensity
53.03946	0.8
55.01838	0.6
56.05019	0.4
57.03426	0.4
63.89232	0.4
66.63616	0.4
67.05492	0.5
69.03409	1.0
70.14627	1.3
79.05497	8.4
80.05025	0.5
81.07067	2.1
85.02904	0.9
85.60927	0.5
91.05456	3.2
93.05808	0.7
93.07047	2.4
94.06573	0.9
95.04969	0.6
95.08591	0.5
103.05446	1.1
105.07027	3.2
106.06555	3.0
107.04952	4.2
107.08625	0.5
108.08122	23.3
109.06514	0.9
110.09689	0.9
111.04455	0.5
115.05449	1.6
117.05754	0.8
117.07020	3.7
118.06574	0.9
119.04915	1.0
120.08131	2.5
121.06513	1.2
121.08923	0.4
121.10115	0.9
122.09679	1.2
123.04365	0.5
124.07591	0.6
127.03924	0.5
128.06201	1.0
129.07007	2.9
130.06534	6.4
131.04958	1.3
131.07304	1.3
132.05751	0.5
132.08069	2.7
133.06496	1.6
134.09648	1.2
135.08034	0.7
136.07587	4.0
137.06000	1.2
138.09167	0.6
139.07524	4.5
143.07310	3.5
143.08569	2.0
144.08087	100.0
145.06476	0.7
145.08415	1.3
147.04405	0.5
148.07545	1.0
149.06026	0.6
149.09563	3.7
150.09082	0.7
151.03835	0.7
151.07555	1.3
152.07037	1.1
154.06516	1.5
155.06085	0.8
155.07304	2.8
156.08127	2.8
157.08943	0.8
158.05988	0.7
158.09665	9.3
159.09154	0.9
160.07562	2.1
161.05992	1.3
161.07936	0.5
162.09184	1.2
164.07150	0.6
166.08647	1.2
167.07076	4.4
168.08087	4.7
168.10196	7.7
169.07599	1.4
169.08865	0.6
170.09657	22.8
171.09193	2.0
172.07518	0.6
172.11232	3.4
173.13252	0.5
177.05530	0.8
178.08617	1.1
180.08084	2.3
181.08859	0.9
182.09679	1.8
182.11775	2.4
183.09187	1.6
185.10742	0.6
187.07471	0.5
190.08752	0.7
191.14301	2.2
192.07977	1.3
193.08743	2.7
194.09679	3.1
194.11758	1.5
196.09683	1.7
196.11285	0.9
204.08202	0.7
205.08879	1.9
206.07979	0.5
206.09618	2.4
207.10468	3.0
208.11330	3.4
209.08243	0.5
210.09514	0.5
210.11322	1.9
217.08757	1.7
218.09698	2.3
219.10439	2.7
220.11206	3.0
221.10524	1.0
222.12924	7.9
223.12241	0.7
224.14554	0.6
225.13908	0.7
228.10152	0.5
228.12317	1.0
231.10559	1.2
232.11230	1.2
233.12048	0.5
234.06877	0.5
234.12881	5.9
235.07651	0.6
235.13715	1.0
236.14401	1.0
240.12373	1.3
246.12846	1.2
247.09988	0.9
248.14464	1.3
249.13966	1.4
251.15460	12.6
252.15950	0.5
254.11920	0.5
262.12228	0.6
264.13922	1.0
271.09769	0.5
275.15457	1.1
276.13861	1.2
277.13589	0.5
278.09488	0.6
282.15073	0.5
292.13235	0.9
293.08270	0.6
293.16513	2.0
303.14874	2.4
304.13348	0.5
309.11929	0.6
310.17685	0.6
321.11737	0.6
321.15945	5.5
324.16019	2.7
325.19113	13.7
335.17511	1.9
336.16095	0.9
339.12268	1.0
353.14517	1.3
353.18619	19.8
371.19666	96.8
372.19897	2.5
381.21732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.38186	1.2
64.02507	1.2
65.03941	1.5
71.34028	2.1
79.05502	3.0
79.21353	1.2
84.08226	1.3
91.05489	29.5
94.04178	2.6
95.04964	3.9
99.91585	1.3
101.20802	1.2
103.05464	1.6
105.07005	5.6
107.04935	1.3
108.05710	1.9
109.06500	2.1
119.04945	19.8
121.06503	2.5
122.03651	8.8
128.06224	5.3
133.02843	3.7
133.06476	3.0
135.04405	4.9
135.08075	1.4
136.05193	8.3
137.05983	99.6
143.08559	22.7
144.08102	1.3
145.06511	2.8
148.05196	4.4
149.02299	1.2
149.05986	2.7
150.06798	3.4
151.03963	2.3
151.07549	86.9
152.07843	1.2
161.05989	1.2
164.08350	3.2
165.05487	21.4
165.09119	15.1
166.06259	40.2
167.06776	1.8
171.08067	28.4
172.08824	1.5
173.05974	3.1
173.09660	5.8
175.11041	1.3
180.07814	29.3
181.04997	4.5
181.08601	60.6
187.11191	2.9
188.08337	23.0
189.09045	2.4
195.10173	100.0
196.10568	2.3
201.09160	4.9
202.09770	2.2
203.10675	69.3
204.11125	1.7
209.11720	4.9
216.11469	21.8
217.08678	3.8
217.12213	2.1
219.10216	1.9
232.10950	6.7
235.13211	1.9
247.13303	21.0
251.56549	1.3
298.11935	1.2
313.10629	1.6
320.84677	1.3
324.67899	1.4
328.12762	1.2
371.18732	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91100	16.4
71.04993	4.5
73.04749	3.0
79.05505	19.2
80.38236	3.2
81.07043	7.0
83.04996	3.8
84.43462	3.3
85.06565	3.4
87.18203	3.2
91.05470	14.1
93.07038	5.9
94.04156	4.0
95.04967	17.5
97.06519	3.5
103.05447	4.1
105.07037	8.1
106.06502	3.6
107.04964	27.1
107.08585	4.4
108.08120	8.4
109.06499	9.8
115.05432	8.1
118.06551	5.0
119.08626	3.5
121.06458	3.9
122.03651	11.1
123.04417	4.4
125.92208	2.9
126.11954	3.1
128.06190	6.2
129.07004	13.5
131.04916	6.9
131.08563	14.9
132.04475	3.4
132.08070	6.8
135.08057	4.2
137.05980	100.0
141.06993	4.9
142.06516	4.0
144.05693	10.8
144.08064	6.2
145.06474	5.7
149.05998	8.0
151.03883	5.2
153.05484	7.4
156.05701	24.6
157.06494	9.3
158.07246	3.6
159.04390	3.7
159.08073	19.0
160.05257	4.0
160.07561	32.9
161.05940	8.0
167.07051	66.4
174.06744	7.6
175.07541	12.6
177.05576	7.6
178.07698	4.0
181.06445	4.1
184.05251	5.8
187.03979	9.8
187.07555	29.3
189.09094	7.4
189.94653	3.5
190.07762	7.0
191.08472	4.8
191.10738	3.7
199.07591	3.5
202.06181	9.6
203.06871	4.1
203.08600	10.8
205.08519	4.1
206.07225	9.1
207.08038	4.8
209.15378	4.1
211.07545	6.6
215.08644	5.7
217.08582	74.7
218.07303	12.3
219.08063	8.6
221.09593	12.4
224.04593	3.6
229.06419	3.5
231.08047	11.5
232.08818	4.2
233.09531	15.7
234.06705	10.3
235.07545	16.1
237.05437	5.3
237.09087	3.1
239.07057	21.1
241.08662	21.4
242.05635	3.7
246.06697	7.5
247.07430	8.6
247.09668	31.7
249.09084	24.7
250.09868	5.6
251.06926	5.4
252.07843	9.7
253.04961	4.6
257.08206	5.0
260.08289	5.5
261.09119	25.2
262.06314	6.6
263.07025	16.7
263.10455	3.6
264.07748	8.2
266.09305	5.8
267.14972	4.3
268.97571	3.5
269.08124	10.2
276.07825	3.8
277.08524	16.1
278.09277	17.3
279.10019	11.1
280.07376	5.0
281.11633	6.2
285.07544	41.7
289.08575	11.7
290.09341	4.1
291.06726	4.7
291.10052	4.9
292.07266	3.7
293.08627	4.1
293.11688	19.9
295.09546	10.1
300.09885	37.5
301.10623	14.3
306.08878	10.4
307.09674	13.1
309.11209	22.3
309.15640	3.5
311.05548	7.4
311.09174	5.6
311.12769	5.1
313.10617	9.9
321.11243	26.0
321.15787	5.5
323.09094	10.7
326.11490	17.5
327.12201	4.9
338.11520	9.4
339.12317	13.1
341.13760	8.8
343.11844	4.2
353.09790	5.2
353.13867	69.6
353.18042	4.4
364.18713	3.6
371.15063	33.0
371.19669	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	371.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26521	5.0
58.58638	4.4
65.98777	4.4
67.05502	6.7
69.03447	11.4
70.06596	6.1
71.49598	8.0
73.38026	5.0
74.16251	5.0
75.36047	5.5
79.05513	13.9
81.03410	9.0
85.02923	10.2
86.09653	5.0
90.44112	5.3
91.05495	15.0
93.07067	10.5
95.04983	15.1
98.97607	13.3
103.05478	8.7
104.65133	4.7
105.07034	18.7
107.04981	16.9
107.08659	6.3
108.08155	9.1
109.06522	8.6
115.05482	8.8
117.07016	7.6
118.06552	8.6
119.04942	5.9
121.06547	5.6
121.10139	7.7
123.04439	9.8
123.08073	6.3
129.05486	6.5
129.07060	6.1
130.06544	8.2
131.04941	8.6
132.05698	9.2
133.06488	7.8
137.05995	22.3
144.08095	100.0
145.06432	6.8
147.04338	6.3
149.05980	14.1
149.09631	15.4
151.03931	20.8
160.05283	5.7
160.07611	22.5
161.06004	12.3
163.03976	8.0
165.07056	7.2
165.09276	5.6
167.07034	33.5
170.09695	5.1
173.13196	6.6
177.05510	12.7
178.08752	5.6
181.05025	11.3
181.08630	5.7
187.07550	8.7
190.07849	5.6
191.07076	11.1
191.14351	15.4
192.07942	11.7
193.08621	26.2
209.08023	5.6
216.36829	5.9
217.08684	10.7
219.08110	6.7
222.11266	7.7
234.07076	6.7
239.11798	5.2
249.09097	7.5
261.09125	7.4
265.08624	6.6
291.10385	4.9
300.10178	6.9
307.09515	6.7
321.11588	7.2
339.12253	30.8
353.14328	17.8
353.18723	16.5
371.15036	84.9
371.19727	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.8
55.35642	5.9
57.03422	6.8
65.60032	6.0
69.03423	17.2
69.33967	13.5
69.34361	39.5
75.13838	6.6
85.02910	35.0
89.03927	7.9
94.52216	5.3
97.02891	18.8
98.21529	11.1
101.00872	10.9
107.04963	14.1
112.50034	5.1
117.03381	12.8
119.01938	12.2
125.01942	6.9
127.03923	12.3
131.01897	11.1
135.04437	27.1
143.01909	13.3
157.03505	6.1
161.03085	8.8
163.03908	100.0
164.04248	12.9
170.02512	8.9
177.00876	10.9
185.03053	10.6
191.02406	5.9
203.02560	9.3
219.01985	21.6
229.00455	26.5
233.03601	12.7
239.04263	8.0
245.04980	7.0
248.04555	6.4
269.05188	9.0
290.05685	9.9
329.01981	21.9
333.05441	7.3
347.03204	13.0
371.07385	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03953	5.2
55.01871	2.0
57.32160	1.1
58.95083	0.9
65.03930	1.1
65.96601	0.9
66.04728	1.0
67.05493	1.6
69.03427	2.2
70.06587	1.5
71.48375	1.7
73.04771	1.5
77.03945	1.0
78.04694	1.7
79.05502	40.3
81.03408	1.3
81.07062	3.7
83.05003	1.2
85.02917	2.0
91.05448	8.1
93.07073	1.3
94.04185	2.3
95.04950	6.0
96.05768	1.0
103.05475	1.7
105.03398	2.7
105.04520	2.7
105.07024	3.8
106.06545	1.7
107.04966	85.5
108.05305	1.7
108.08133	1.2
109.06512	1.2
111.04438	1.2
115.05473	12.0
117.07008	2.0
120.08122	1.1
121.06528	2.3
122.03641	4.8
123.04417	2.3
124.05222	13.1
125.05994	5.7
130.06558	1.7
131.04941	1.2
132.08064	1.3
133.02835	1.5
133.06516	5.6
135.04416	2.9
137.05971	1.9
138.89894	0.9
143.04988	2.0
146.06006	2.2
148.03905	2.2
149.05971	1.4
150.09245	0.9
150.66035	1.0
151.03955	2.1
152.04741	6.9
152.13554	1.0
153.05453	4.2
158.06053	1.1
159.04387	1.3
160.07610	4.1
161.04639	1.7
161.05997	30.4
163.03917	5.9
167.07060	100.0
168.07463	1.2
173.05972	2.3
179.03436	2.8
179.08488	1.1
180.03732	2.5
187.03889	4.0
189.05498	1.2
189.07039	1.3
189.26334	1.0
194.02225	1.6
205.06500	1.2
209.04466	2.6
215.03381	4.4
217.04984	86.1
218.05298	2.6
235.07431	1.7
247.07722	1.3
249.13733	1.1
250.06409	1.8
251.07143	2.6
260.53445	1.0
263.06821	2.1
278.05908	1.5
279.06677	5.7
279.09122	1.0
281.99142	1.1
293.08170	2.7
295.06021	1.6
306.05380	1.0
307.06097	2.9
311.05527	1.6
321.07706	2.7
338.07977	1.1
339.08655	2.5
353.10367	6.8
371.11493	1.8
371.15594	6.7
371.20328	4.6
376.65652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05499	1.6
61.63622	0.9
65.03922	4.0
67.05503	8.0
69.03419	3.9
69.83702	5.3
71.04955	1.6
77.03918	2.6
79.05480	2.5
81.03407	0.9
83.04979	12.8
85.02900	6.1
93.03413	8.2
95.04971	8.5
96.37361	0.9
105.03394	8.6
107.04237	1.2
107.04952	20.5
109.02872	1.9
111.04442	22.8
121.02896	4.7
123.04433	8.2
129.05478	8.9
131.07072	1.2
133.02861	33.6
134.03609	1.7
135.04366	3.9
136.04770	1.7
139.03896	11.0
145.08601	1.8
151.03929	15.1
157.04965	9.9
161.02351	20.7
163.03917	1.0
175.06006	8.8
179.03397	100.0
180.03693	1.8
220.02477	0.9
259.74612	0.9
353.08627	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	369.191
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
53.03942	5.7
54.42701	1.4
55.01864	2.3
55.05527	2.3
57.03437	3.2
61.02916	2.2
67.05497	3.7
69.03430	16.8
69.71764	2.4
69.72163	6.9
71.04972	2.5
73.02932	2.2
79.05496	9.8
81.03419	6.6
81.07061	12.1
81.79888	1.5
83.04972	4.5
85.02908	100.0
89.03911	11.2
91.05481	7.3
95.04982	5.6
97.02880	8.2
99.04478	3.7
105.07031	6.7
107.04952	8.7
108.08125	10.4
109.02901	6.7
109.06514	3.9
109.10172	2.6
111.04475	3.5
115.05468	1.7
117.03401	20.8
119.08554	7.6
120.08099	3.3
121.06523	2.2
121.10117	2.2
122.06105	1.9
122.09673	2.1
123.04440	2.0
123.11711	61.3
125.05989	9.3
127.03970	8.3
130.06560	3.6
131.08546	2.5
132.08168	3.7
133.06548	4.1
134.03606	2.7
135.04427	15.8
137.05991	4.9
139.04008	2.0
139.07564	4.8
143.08548	2.5
144.08096	1.9
145.02849	47.9
145.10158	6.1
146.05998	2.4
147.08080	2.3
147.11758	7.6
149.06020	10.3
149.09637	4.1
151.03922	5.2
151.07593	6.4
156.09404	2.1
158.06079	5.0
160.07574	18.4
163.03905	25.9
165.05594	1.7
167.07021	4.0
171.11795	2.6
177.05478	89.8
178.05916	2.3
179.03419	6.2
183.08107	1.7
189.12747	21.6
190.63387	1.4
195.06619	3.1
207.13805	20.6
222.09146	2.4
249.14029	2.3
251.08974	2.2
265.13400	22.2
267.14920	4.5
315.16092	2.1
333.16968	14.6
351.17850	11.5
369.05884	2.0
369.14865	3.5
369.18323	65.4
370.17838	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57692	2.0
53.03919	3.0
53.26313	1.9
53.95126	2.1
55.01876	3.0
55.05499	9.5
67.05509	28.9
68.21155	2.0
69.07070	100.0
69.39993	7.8
69.40428	8.2
71.04982	9.6
71.08612	2.6
79.05504	10.9
80.05019	2.2
81.03397	4.2
81.07055	13.7
83.08610	3.1
84.04508	2.4
85.01369	2.2
85.06524	2.5
87.32943	2.0
91.05475	11.0
93.07055	14.6
95.04942	5.2
95.08606	14.4
97.06539	2.5
97.10148	3.5
101.00740	2.1
101.09662	82.4
104.48543	2.2
105.07059	11.8
107.08640	10.8
108.08128	2.5
109.06523	2.9
109.10159	26.1
111.04417	3.7
115.05462	2.4
117.07024	3.5
118.06561	2.2
119.08578	12.5
121.10143	9.3
123.08049	3.4
123.11688	2.2
125.09628	3.8
129.06972	3.7
131.08569	5.2
132.04396	3.1
132.08072	6.8
133.10107	5.5
135.11650	3.5
137.09630	5.6
142.06534	5.7
143.08577	3.1
145.10129	7.6
147.08011	2.8
147.11719	5.3
149.09602	4.2
151.07539	3.8
155.10620	2.8
159.11694	4.0
160.07596	40.3
165.12798	2.7
167.12636	2.6
169.10068	3.3
169.12302	3.5
173.11761	3.5
178.08586	3.1
183.11670	3.1
201.10265	4.6
207.09856	2.1
208.13319	6.2
209.13652	8.0
225.16531	3.0
233.15421	3.1
251.16283	3.1
252.22951	2.3
291.23212	3.3
293.23090	5.5
319.22656	21.1
337.15323	7.5
351.25162	8.8
369.13412	3.3
369.18027	51.5
369.24393	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1811
Annotation	(-)-Vincapusine
Peak:m/z	Relative Intensity
55.05508	1.8
55.17991	0.6
59.21577	0.9
70.53880	2.5
72.19708	0.7
79.05496	3.7
81.07034	0.9
91.05476	1.2
95.04966	2.1
104.41242	0.7
105.07029	1.7
107.04955	2.7
108.08135	2.4
114.22157	0.7
115.05474	4.4
116.04986	0.8
117.05779	3.5
117.07039	1.8
118.06527	2.7
123.08040	1.2
124.03962	2.7
129.07047	1.7
130.06548	4.4
131.07309	1.0
131.08334	0.7
132.04466	5.4
132.08098	12.6
133.10088	0.8
139.03903	0.9
139.07581	0.9
142.05403	1.0
142.06497	5.5
143.07292	3.5
143.08458	1.2
144.08102	16.1
147.73936	0.7
149.05975	0.9
151.36430	0.8
153.05482	0.9
155.07298	2.1
156.08119	10.7
157.08846	1.8
158.06062	1.1
158.09669	1.4
159.06931	0.9
160.07593	46.8
167.07166	2.0
168.08105	3.1
169.07672	4.5
170.08362	2.5
170.09673	7.2
171.09224	1.8
178.08687	5.0
179.07082	0.9
180.07973	1.0
183.09108	4.5
184.09975	10.9
185.10753	2.2
194.08055	1.6
197.10765	2.3
198.11511	1.1
201.10184	2.2
208.09714	6.4
209.10765	3.1
210.11343	1.9
215.11934	0.8
221.10703	2.5
222.11284	2.8
223.12349	5.9
224.13008	2.7
226.10814	2.4
232.11046	1.0
233.10629	0.9
235.08849	0.7
235.12225	2.1
237.10202	1.0
246.11201	1.3
249.10034	0.8
249.13841	9.8
251.15620	1.1
263.08224	1.5
265.09753	10.3
267.14905	1.8
291.14886	2.1
307.09375	0.9
309.16089	1.5
319.14413	3.8
323.17569	10.5
337.11469	0.8
337.15350	5.5
351.17044	56.9
352.17804	31.0
352.22195	1.1
353.18542	0.8
369.18106	100.0
370.18640	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1811
Annotation	(-)-Vincapusine
Peak:m/z	Relative Intensity
55.05519	2.5
57.66600	1.2
65.03941	1.4
70.62260	1.8
70.62592	2.6
79.05480	6.3
81.07040	2.0
91.05512	1.6
93.07078	1.3
95.04974	2.1
105.07043	3.4
106.06569	1.3
107.04982	3.7
108.08098	1.7
109.06579	1.5
115.05515	2.4
117.05753	1.8
118.06551	3.0
129.07027	2.5
130.06541	4.5
132.04504	3.5
132.08101	9.2
139.07544	2.5
142.06541	4.5
143.07349	2.7
144.08099	14.6
150.60426	1.2
155.07286	2.4
156.08093	10.6
157.08838	1.7
158.06000	2.9
160.07594	30.9
167.07137	4.1
168.08138	8.0
169.07651	4.7
170.08380	2.2
170.09659	16.7
171.09224	2.3
174.24373	1.2
178.08662	3.3
179.07062	1.8
182.08266	1.4
183.09174	5.5
184.09987	9.3
185.10774	4.7
195.09079	1.4
197.10794	4.3
201.10269	1.5
208.09680	10.5
208.11340	1.3
209.10727	1.9
221.10759	1.8
222.11090	2.4
223.12288	4.4
224.13127	2.8
235.12347	3.5
247.12325	3.3
249.13892	14.6
263.08157	2.8
265.09708	9.1
267.14691	1.3
291.14978	3.2
309.15933	2.9
319.14511	4.7
323.17596	17.4
337.15387	7.1
351.12598	1.6
351.13809	1.1
351.17050	65.6
352.17755	20.2
369.18106	100.0
370.18442	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	369.1182
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
66.20458	0.7
71.11571	0.9
71.11891	1.0
83.04943	0.9
85.02903	1.1
89.03919	8.6
106.04205	1.0
117.03383	24.4
134.03644	2.5
135.04453	0.9
145.02850	53.9
149.05972	7.3
163.03868	2.0
177.05475	100.0
178.05836	1.1
189.12654	1.0
202.59782	0.7
207.06372	1.0
334.59729	0.7
369.18033	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
54.00309	0.4
55.05513	0.6
56.83632	0.4
63.02387	0.7
65.03908	0.4
66.15138	0.4
69.03418	0.6
70.06590	0.6
70.84006	1.2
71.04993	0.9
79.05482	1.7
83.04963	1.0
85.02903	0.5
89.03927	7.4
95.04947	0.7
107.04969	2.9
108.08145	0.6
111.04455	0.5
115.05469	1.0
117.03383	10.6
117.05774	0.8
118.06543	1.5
118.13258	0.4
124.03992	0.6
130.06529	0.5
132.04445	0.8
132.08096	4.1
135.04422	17.5
137.05966	1.0
142.06490	1.4
144.08110	1.5
145.02861	14.4
145.03996	1.0
158.06017	0.7
160.07591	13.7
163.03909	100.0
164.04247	1.4
167.07095	0.5
168.08101	0.7
178.08627	1.4
191.57635	0.5
197.10776	0.7
210.11314	0.9
213.10297	0.8
222.11185	1.0
224.12863	0.9
249.13763	0.5
253.62502	0.5
265.09656	0.6
265.13727	0.4
267.14948	1.0
300.18393	0.5
304.96399	0.5
337.15399	1.2
343.68710	0.5
351.16946	1.4
357.13898	0.5
369.13977	1.8
369.18140	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	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19446	0.3
52.24537	0.4
56.96582	0.4
57.03453	0.5
61.02937	1.0
69.03440	2.2
71.05014	0.5
71.06254	1.0
73.02915	0.4
81.03425	0.9
85.02909	6.0
89.03933	1.7
91.03959	0.4
97.02909	1.8
98.97631	0.5
109.02857	0.6
117.03430	1.0
127.03946	0.8
132.04440	7.3
132.05301	0.6
135.04431	1.8
143.00140	0.5
145.02898	1.0
145.04921	0.8
147.04424	1.2
160.03941	1.0
163.03912	6.8
164.04239	1.3
178.05002	64.5
179.05286	1.2
206.04494	100.0
207.04845	1.5
336.81781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.03498	0.8
63.02358	1.0
67.05505	1.0
67.22012	0.8
69.03411	2.3
70.06605	0.9
71.48037	1.3
79.05491	1.9
83.04987	1.3
85.02911	3.5
89.03920	10.6
91.05464	3.0
95.04960	1.7
97.02906	1.4
103.05449	1.2
105.07040	1.6
106.06525	1.1
107.04975	2.7
107.08607	0.8
108.08092	1.9
109.02888	1.0
109.06509	1.3
109.10203	0.8
111.04410	1.5
115.05503	0.9
117.02537	1.2
117.03382	24.9
118.06413	0.9
119.04932	1.2
119.08612	1.1
120.08149	1.8
123.04458	1.1
123.11707	1.3
127.03884	1.1
130.06546	1.2
132.08110	2.2
133.02882	1.3
134.03606	1.5
135.04411	7.2
137.06001	1.9
142.06593	0.8
145.02850	51.7
149.05991	7.3
151.07547	1.1
151.33344	0.9
158.06015	2.2
160.07596	8.7
163.03917	15.5
167.07115	2.1
177.05481	100.0
178.05797	1.0
179.03419	1.3
189.12717	1.8
207.06586	2.2
207.13872	1.7
214.95067	0.8
222.09135	1.1
265.13397	9.7
267.15045	1.7
315.08633	1.0
337.15472	1.1
350.78009	1.0
351.17041	2.7
369.18253	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20215	1.4
53.03950	2.4
55.01875	3.2
55.05518	16.9
57.03424	2.3
57.07087	8.3
67.05505	23.0
69.07072	26.8
71.05006	3.5
71.08620	10.9
71.49770	2.4
75.66402	1.6
79.05480	11.9
81.03487	1.6
81.07059	32.7
83.04974	4.7
83.08617	11.4
85.06536	7.5
91.05490	13.4
93.07047	17.0
95.04963	4.4
95.08607	35.0
97.06506	3.9
97.10172	4.0
99.08097	13.8
105.07038	14.7
107.08588	19.1
109.06521	10.5
109.10139	13.0
111.04448	3.3
111.08071	5.4
119.08578	13.7
121.06465	3.7
121.10146	9.0
122.07297	2.4
123.08062	31.3
123.11703	6.4
125.05988	3.2
131.08571	5.0
133.10110	13.6
135.08078	5.9
135.11687	7.4
137.09607	2.9
137.13264	2.8
139.07539	2.4
145.10143	7.5
147.11696	7.1
149.09578	4.5
149.13257	4.0
151.11206	2.9
153.09091	1.7
153.12747	5.6
157.10126	3.2
159.11729	4.8
161.13277	3.2
163.14796	3.2
165.12744	1.9
171.11685	2.0
173.13301	3.9
175.14877	2.9
177.12888	2.4
179.14320	41.4
181.12270	3.3
183.11746	3.5
187.14844	1.8
189.16360	2.2
191.14345	4.1
193.15955	2.4
209.13258	2.2
235.08794	2.4
237.10120	1.8
237.48637	1.7
247.20770	1.6
251.20087	12.2
256.61041	2.0
263.08279	4.2
275.20288	3.9
281.08887	2.2
293.21158	12.4
293.28369	3.9
303.26843	14.9
313.25269	2.6
321.27872	5.3
331.26312	45.8
335.13733	4.0
349.27374	100.0
350.27768	3.1
367.16519	24.1
367.22421	3.5
367.29724	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01863	11.1
55.05517	32.6
55.75372	3.4
57.03443	4.2
57.07068	17.4
59.04990	10.5
62.56096	3.8
65.03942	7.3
67.05511	54.4
67.88900	3.5
68.88393	4.4
69.03452	9.1
69.07082	23.6
71.04979	7.2
71.08626	6.5
79.05498	47.0
81.07059	71.9
81.35352	3.8
83.04985	11.0
83.08627	18.5
85.06561	33.3
91.05485	67.8
93.07051	83.6
95.04974	36.3
95.08608	66.5
97.06514	19.0
97.10166	4.4
103.05452	4.1
105.07040	90.8
107.08601	76.8
109.06528	12.4
109.10171	40.0
111.08085	5.8
115.05537	4.3
117.07011	21.5
118.46648	3.2
119.04939	4.6
119.08582	100.0
121.06499	10.2
121.10152	54.3
123.08044	8.3
123.11686	12.5
126.54331	3.7
128.06322	8.1
129.06996	19.3
130.07741	6.1
131.08572	52.7
133.10124	55.6
135.08051	14.4
135.11710	18.0
136.00636	5.9
137.09616	7.6
141.06935	6.1
142.07841	19.7
143.08571	42.0
144.09315	14.8
145.10143	65.1
146.07283	10.3
147.08057	10.6
147.11700	26.1
149.09644	20.8
149.13245	7.2
155.08542	16.0
156.09348	17.2
157.10139	57.6
158.10918	6.1
159.08061	7.2
159.11697	37.2
161.09641	37.2
161.13271	7.7
163.11177	9.1
163.14832	4.1
165.06984	7.0
167.08601	7.9
168.09409	5.4
169.10191	18.8
170.10968	5.7
171.11673	29.1
172.12422	6.8
173.13261	31.2
175.11205	8.5
175.14816	16.2
179.08539	11.5
181.10121	11.8
183.11713	23.9
185.09525	4.9
185.13297	17.3
187.11238	5.1
187.14813	15.6
189.12791	6.3
193.10127	5.9
194.10931	5.0
195.11772	10.4
197.13261	18.7
199.14832	8.8
201.16353	9.1
209.13397	19.1
211.14909	11.3
213.12625	5.1
213.16342	4.6
221.13203	5.1
223.14766	5.5
225.16371	8.3
227.14331	13.3
235.14780	5.6
239.17973	8.4
239.72983	3.5
251.17928	5.3
263.08060	8.6
265.19385	6.2
269.19217	4.9
275.20169	9.0
277.69202	4.0
281.09155	3.5
306.32294	3.6
349.25320	9.2
367.16553	36.7
367.26257	15.8
371.04349	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68312	2.7
53.03945	7.0
54.82127	2.8
55.05509	28.3
57.07074	13.5
59.04993	4.0
65.03936	4.4
67.05503	42.0
69.03441	8.3
69.07066	25.2
71.04996	6.4
79.05492	43.9
81.07053	54.6
83.04988	5.4
83.08625	11.5
85.06532	9.0
91.05478	62.8
93.07046	84.2
95.04971	38.1
95.08610	64.0
97.06540	15.7
103.05463	3.8
103.53757	2.9
105.04575	3.1
105.07032	98.6
107.04949	3.0
107.08594	64.7
109.06524	17.5
109.09458	4.6
109.10159	39.0
111.08018	3.4
115.05473	7.4
116.06265	5.3
116.16038	2.8
117.07027	28.6
119.08585	100.0
121.06506	12.2
121.10146	53.2
123.08065	8.6
123.11724	16.0
128.06238	11.9
129.06976	21.7
130.07784	10.4
131.08563	52.1
133.06494	3.6
133.10135	63.7
135.08063	18.8
135.11694	19.9
137.09605	4.1
141.06967	6.1
142.07773	22.7
143.08577	34.2
144.09329	11.7
145.10126	72.6
146.07303	9.1
147.08038	9.6
147.11649	18.6
149.09596	14.2
149.13182	4.0
155.08577	13.8
156.09314	17.3
157.10133	53.8
158.10880	12.6
159.08072	5.1
159.11726	35.7
161.09616	40.8
161.13255	7.9
167.08551	8.5
168.09386	3.7
169.10121	22.3
170.10947	6.7
171.11691	26.3
173.09468	6.2
173.13281	24.6
175.11241	9.0
175.14859	18.5
179.08586	9.2
180.04492	2.9
180.09366	4.2
181.10112	10.0
182.10931	7.3
183.11661	18.5
184.12416	2.8
185.09506	3.8
185.13223	19.2
187.11160	3.3
187.14801	16.0
189.12854	7.2
191.14316	3.9
193.10170	3.2
194.10899	8.6
195.11699	15.9
196.12422	4.8
197.13243	15.8
199.14857	14.0
200.15616	3.3
201.12817	6.4
201.16365	4.9
207.11740	7.5
208.12558	3.1
209.13203	19.2
210.14153	3.2
211.14861	10.7
213.12851	3.8
213.16373	5.9
223.14812	7.9
225.16277	5.7
227.14246	15.9
237.16411	3.7
239.17955	7.7
247.14908	3.2
253.19411	3.8
255.17441	5.9
265.19583	4.8
267.17465	5.1
269.18948	4.9
275.20178	3.1
283.20447	3.0
337.21317	2.7
349.25284	9.1
367.16513	11.7
367.26529	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
55.01870	9.7
55.05513	35.0
57.03442	4.8
57.07077	16.9
59.05007	8.6
65.03948	4.2
67.05510	59.3
69.03436	10.4
69.07079	29.7
71.05000	5.4
71.08627	4.2
73.53059	3.2
79.05502	43.0
81.07055	61.0
83.04991	10.8
83.08610	12.6
85.06555	35.3
91.05479	59.2
93.06487	6.9
93.07047	92.8
94.74664	3.1
95.04976	39.3
95.07993	3.8
95.08614	66.7
97.06538	12.2
98.78819	4.9
99.08060	6.2
100.65140	3.5
103.05449	6.4
105.07043	92.4
107.08601	60.0
109.06500	18.6
109.10170	40.6
111.08083	8.9
116.06235	6.6
117.07025	23.6
119.07729	5.7
119.08582	100.0
121.06519	12.4
121.10136	43.5
122.10426	3.5
123.08067	7.5
123.11711	18.9
125.09672	4.2
128.06227	11.2
129.07051	20.5
130.07811	6.6
131.08568	59.7
133.10135	67.4
135.08058	14.8
135.11702	21.0
137.09668	8.7
139.11206	5.5
141.06979	6.3
142.07761	18.9
143.08551	43.6
144.09366	10.2
145.10139	69.6
146.07259	8.2
147.08026	10.3
147.11705	22.2
149.09630	13.1
149.13242	5.3
154.07671	3.8
155.08583	13.2
156.09355	15.9
157.10143	50.1
158.10870	5.5
159.11714	46.6
161.09648	45.2
161.13271	9.4
163.11223	7.0
165.07014	4.4
166.07762	4.2
167.08556	6.8
168.09393	8.0
169.10132	19.5
170.10899	8.3
171.11653	26.7
173.09613	6.1
173.13290	24.0
175.11194	7.5
175.14851	18.7
177.12726	4.1
179.08553	9.5
181.10138	8.5
182.10991	5.8
183.11729	25.2
184.12341	4.5
185.09589	7.0
185.13278	16.0
187.11208	4.6
187.14859	11.2
187.43501	3.6
193.10085	5.2
194.10927	11.4
195.11720	9.8
196.12450	7.4
197.13266	25.3
199.14856	11.6
201.12746	5.3
201.16402	8.7
203.14337	4.3
205.15823	4.0
206.10913	4.3
207.11703	10.0
209.13319	25.2
211.14903	9.4
213.12912	3.8
213.60410	3.3
215.14284	5.5
215.17946	3.9
219.11665	4.8
221.13333	4.4
223.14891	6.1
225.16391	5.6
227.14381	15.6
237.16457	6.0
239.17769	6.3
251.17990	5.1
253.19531	4.0
255.17470	5.1
257.19214	5.7
259.78317	4.3
269.18961	4.2
275.20300	5.0
349.25177	6.5
361.69424	3.7
367.16718	22.7
367.26294	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.24500	2.7
55.01879	22.1
55.02107	4.3
55.05513	59.9
56.95724	3.1
57.03444	16.3
63.91973	3.2
65.03950	4.0
67.05507	54.7
69.03429	6.7
69.07067	31.7
69.23122	20.9
69.23532	6.4
71.04975	11.4
77.52588	2.9
79.05497	57.4
81.03420	12.8
81.07054	64.4
83.04987	35.0
83.08619	31.6
85.02896	13.2
91.05479	40.1
93.07051	49.7
95.04973	60.8
95.08619	28.6
97.06529	11.9
97.10162	20.6
99.04455	13.1
103.05489	3.0
105.07035	34.9
107.04944	13.5
107.08607	47.4
109.06530	13.6
109.10165	24.9
111.04472	33.9
111.08081	6.3
117.07019	12.0
119.08590	23.1
121.06548	8.7
121.10148	36.6
123.08082	11.9
123.11683	4.1
125.05975	3.9
125.09621	15.0
129.07011	5.0
131.08572	23.5
133.10123	18.3
135.08037	9.6
135.11700	14.9
137.09540	4.5
139.11206	5.2
143.08623	3.6
144.08029	5.7
145.10107	18.8
147.08012	4.7
147.11684	12.4
149.09613	31.7
153.12776	5.7
155.08531	5.4
159.11664	14.6
161.09619	3.9
163.11174	31.6
165.12808	3.5
171.11613	3.6
173.13268	4.4
177.12750	5.6
181.12285	7.3
183.09216	10.6
183.11713	4.9
187.11154	3.7
189.11243	12.7
191.10634	3.2
197.13290	3.9
205.12302	10.4
207.09212	4.5
211.13298	3.4
219.09343	4.4
223.13312	44.3
235.08656	13.7
247.12323	3.5
247.20607	5.8
257.19070	9.1
261.06738	9.7
263.08185	19.4
265.13431	8.3
271.01694	3.1
275.20081	85.0
293.21188	23.8
302.74075	2.9
335.14194	4.9
349.15536	9.1
367.16586	100.0
367.24847	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31955	1.3
53.03941	5.4
53.04177	1.4
54.72895	1.5
55.01880	8.7
55.05515	22.7
57.03443	13.3
57.07074	2.6
58.15915	1.5
65.03945	3.0
67.05508	53.8
69.03441	2.0
69.07076	32.0
69.16911	9.9
69.17335	5.4
71.05003	2.7
79.05501	43.0
81.03436	3.4
81.07062	100.0
82.07404	1.8
83.04996	7.8
83.08631	15.6
85.06525	3.4
91.05487	30.1
93.07053	32.3
95.04973	11.5
95.08614	31.8
97.06531	11.5
97.10189	4.2
99.08110	3.8
99.72160	1.5
105.04522	1.6
105.07043	27.1
107.04964	7.7
107.08601	21.5
109.06522	23.5
109.10192	8.5
111.08092	4.9
114.06697	1.5
117.07022	5.7
119.08588	21.6
121.06513	3.7
121.10137	15.6
123.08061	7.7
123.11718	6.9
125.09653	2.4
129.07037	3.9
131.08598	12.3
133.06520	1.7
133.10138	17.7
135.08061	4.3
135.11736	9.0
137.09618	4.0
137.13264	3.0
139.75764	1.4
143.08566	3.4
145.10109	11.6
147.11693	23.4
149.09637	10.6
149.13286	8.1
151.11211	3.1
157.10109	5.4
157.57744	1.7
159.11703	10.4
161.09688	2.0
161.13258	4.5
163.11163	7.6
163.14873	3.5
165.12788	6.1
169.10107	2.1
171.11708	2.7
173.09515	2.1
173.13251	4.2
175.11174	4.2
177.12720	2.9
183.09161	1.9
183.11667	2.1
185.13266	1.8
187.14734	2.6
197.13251	2.4
206.08401	1.8
207.09204	2.6
215.17940	1.4
229.19588	1.6
235.08650	5.1
239.18031	3.5
247.20680	4.1
257.18991	4.8
261.06668	4.7
263.08212	6.9
265.13495	7.0
275.20081	46.4
276.20459	1.5
293.21152	5.6
317.12881	1.7
335.14011	2.8
349.15408	3.6
349.23740	12.9
367.16571	47.6
367.24899	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.4
55.01865	15.2
55.05518	66.2
57.03248	2.0
57.03446	20.4
65.03942	3.5
67.05508	100.0
69.03427	4.3
69.07071	31.9
69.43120	14.5
69.43535	5.7
69.86163	2.2
71.04997	6.4
75.25341	2.5
75.99364	3.0
79.05499	72.6
81.03406	9.2
81.07059	97.4
83.04992	19.9
83.08626	46.7
85.06526	6.1
91.05482	68.9
93.06490	4.6
93.07048	54.4
95.04976	28.1
95.08614	56.0
97.02903	3.4
97.06541	16.3
97.10160	10.4
98.21534	4.7
103.05460	3.6
105.04563	3.1
105.07039	54.1
107.04975	26.3
107.08602	53.9
109.06508	12.1
109.10163	35.9
111.04459	4.8
111.08077	14.5
117.07014	23.3
119.08595	35.7
121.06496	8.0
121.10155	29.3
123.08063	9.3
123.11745	12.6
125.09622	7.9
129.07011	9.0
131.08585	28.8
133.06538	2.9
133.10124	44.8
135.08072	11.8
135.11697	17.5
137.09610	10.9
139.11143	4.7
143.08559	4.0
145.10118	30.6
147.08005	4.2
147.11690	24.1
149.09627	41.5
149.13281	7.0
151.11186	14.8
157.10143	7.6
159.11687	18.5
161.13278	7.9
163.11180	34.2
163.15083	2.8
165.12770	8.0
169.10110	4.2
171.11708	7.2
173.13255	13.1
175.11121	6.6
177.12732	9.9
179.10751	2.6
179.14398	3.4
181.09959	3.3
183.11728	5.2
191.14334	4.2
197.13216	2.9
213.16444	2.5
223.13272	6.1
229.19455	8.6
235.08607	4.7
239.18007	10.6
247.20555	6.0
257.18991	13.4
261.06534	3.1
263.08185	7.2
265.13477	5.7
275.20074	93.3
290.35660	2.5
293.21075	13.2
349.15265	3.3
349.23883	15.9
367.12421	3.6
367.16696	47.9
367.24942	47.6
368.16721	3.4
372.68762	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	367.1653
Annotation	3-Oxovenalstonidine
Peak:m/z	Relative Intensity
55.05500	1.2
55.33427	0.5
65.03951	0.6
69.84355	2.1
70.06210	1.3
70.06594	24.8
81.07031	1.0
83.01338	2.0
91.05442	0.7
92.05004	0.9
95.04978	0.9
106.06554	0.8
108.08134	3.4
109.06475	0.6
117.03788	0.5
120.04466	7.2
124.03931	2.2
130.06535	4.4
131.05000	0.6
137.05966	1.7
138.05495	1.4
144.08119	1.8
150.05473	0.9
158.06021	26.4
160.07578	7.1
172.07657	0.7
173.08470	0.7
175.07585	0.6
176.75639	0.6
178.08649	5.8
184.06194	1.1
184.07628	2.1
185.07109	14.3
186.09239	3.3
190.08650	1.2
196.07637	1.1
197.06999	1.1
198.07947	0.9
199.08681	24.9
204.50783	0.7
208.07663	1.3
210.09135	1.8
210.11264	1.6
211.08746	1.1
234.09169	0.8
236.07147	0.8
236.10841	0.9
237.07988	0.8
237.10278	0.6
238.08618	5.0
238.12231	0.6
239.08318	0.6
239.11684	1.0
240.12537	0.8
248.10602	1.3
250.07504	0.7
250.12241	1.3
251.08209	0.5
251.62067	0.7
262.12277	1.2
263.11765	1.0
264.06555	1.2
264.09915	0.7
265.13452	4.6
266.08234	2.0
267.07666	1.3
278.06607	0.6
278.11795	1.7
279.07645	0.7
279.14835	0.8
281.09329	1.2
289.13397	1.1
289.62207	0.6
290.11774	1.3
298.10818	1.8
306.11224	1.2
307.14392	5.0
317.12561	0.9
318.11456	1.2
323.13297	0.9
333.12317	0.9
335.13904	12.5
338.13995	0.8
339.16733	0.9
349.15344	3.0
350.13773	1.2
365.14990	2.6
367.16531	100.0
368.16769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	8.4
67.05497	20.5
69.03432	7.8
69.07044	9.3
71.05000	28.7
80.99736	6.3
81.07056	22.0
85.02917	12.9
85.06561	53.9
91.05486	18.0
93.07044	19.3
95.04992	9.6
97.84935	7.4
100.02905	7.2
105.07019	22.7
107.08632	8.4
109.06527	6.6
109.10152	27.5
111.08036	9.4
120.08128	12.6
121.51476	6.8
123.11577	6.4
133.10141	41.5
151.11229	36.2
169.12260	44.4
187.13312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68990	0.2
65.42471	0.2
65.99677	0.2
70.72760	0.6
82.99843	0.6
101.00883	4.4
116.98836	0.3
119.01921	6.1
120.01920	0.2
122.97813	0.3
134.99890	0.4
137.02930	0.9
140.98801	1.2
158.99886	3.4
175.03059	0.3
177.00948	16.5
178.01082	0.8
182.99840	1.1
199.02959	0.4
201.00920	3.4
202.01088	0.2
216.98869	0.3
217.04060	2.7
217.99106	0.3
219.02010	23.6
220.02112	0.9
225.00847	2.6
234.00804	0.4
235.00153	0.4
236.00049	0.4
240.98866	0.4
241.99010	0.5
243.01987	10.4
244.02101	0.5
259.00003	1.2
260.00119	1.7
261.03058	100.0
262.03189	4.1
263.03189	0.5
265.99188	0.2
277.01059	0.4
278.01230	0.5
279.00894	0.4
282.99997	2.6
284.00101	4.2
284.04556	1.7
284.99835	1.4
301.01013	2.8
302.01181	4.5
303.00836	1.5
320.02356	0.2
325.00934	0.3
326.01132	0.6
343.01993	0.8
344.02213	2.0
345.02118	0.4
355.50046	0.2
360.99939	0.3
362.03421	0.5
363.51340	0.3
364.00906	0.4
364.51254	0.3
367.01953	0.9
372.51648	0.3
385.03171	6.0
386.03284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01863	3.8
57.03429	6.7
57.07078	3.4
59.05014	13.6
60.04542	15.7
61.02918	5.3
63.93030	2.5
64.19939	3.0
67.05498	11.4
69.03439	24.0
69.07059	15.4
69.58907	19.2
70.06583	2.6
71.04999	31.1
73.02900	3.4
79.05504	13.1
81.03432	5.7
81.07064	67.4
83.04968	4.0
83.08590	3.3
85.02912	38.3
85.06549	9.0
87.04472	7.5
91.05508	7.6
93.07040	8.4
95.04982	6.0
95.08589	8.3
97.02906	10.8
97.06551	24.3
98.20745	3.4
99.04425	3.2
99.08051	4.0
105.07018	8.5
107.08607	22.4
109.02911	3.5
109.06510	6.8
109.10160	32.4
111.08086	7.6
111.11699	2.8
113.05956	3.4
120.08134	2.9
121.10150	5.5
123.08109	2.9
123.11732	35.3
127.03899	7.0
127.11208	3.8
132.04039	2.6
133.10129	8.0
139.11205	14.4
141.12735	3.0
141.61909	2.7
145.04993	9.4
151.11188	45.9
156.08113	5.7
157.08467	6.1
157.12251	12.4
163.03963	3.1
169.12251	100.0
169.13695	4.9
187.13324	54.6
204.12196	7.4
207.07553	5.1
229.80080	3.1
323.12335	4.5
330.26410	7.4
331.96219	2.9
348.27469	7.1
366.12521	5.6
366.20364	6.6
366.28488	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88731	2.9
59.04989	5.4
60.04531	8.2
67.05502	11.4
69.03419	10.6
69.78139	5.3
69.78549	11.1
71.04994	23.5
79.05482	6.8
79.32970	3.3
81.07062	39.4
85.02912	24.5
91.05481	9.1
93.07079	14.5
95.04978	5.1
95.08611	9.2
97.02896	7.2
99.70148	2.8
105.07030	15.1
107.08603	65.2
109.06511	7.4
109.10152	21.5
120.08150	3.4
123.08205	2.7
123.11728	27.7
127.03903	8.8
133.10138	45.8
151.11183	88.0
169.12248	100.0
184.30136	2.7
199.02284	2.8
204.08765	3.3
240.75011	2.9
331.17328	4.8
348.27530	3.6
366.28491	3.2
367.16602	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47928	1.6
53.03946	2.7
53.05098	1.7
55.01868	3.9
55.05508	3.7
57.03426	4.9
57.07085	2.0
59.05000	14.6
60.04525	18.4
61.02925	5.5
65.05835	1.8
67.05511	11.3
69.03431	23.8
69.07072	10.0
71.04996	16.2
71.48938	3.2
73.02909	2.7
78.37116	1.7
79.05490	11.3
79.54136	1.7
81.03411	3.5
81.07059	56.0
83.04974	3.7
83.08601	3.7
84.04453	1.9
85.02444	2.4
85.02910	29.9
85.06540	7.4
87.04470	10.2
91.03952	1.9
91.05487	4.6
93.07027	7.3
95.04975	5.0
95.08610	6.4
95.90386	1.9
97.02911	9.2
97.06540	22.7
99.04465	3.2
99.08096	4.3
105.07030	4.1
107.08586	17.5
109.06528	7.6
109.10146	24.8
111.08059	3.8
111.11716	3.4
113.06037	2.0
120.08115	2.0
121.10149	5.6
123.08042	2.9
123.11700	22.8
127.03910	6.6
127.11202	2.9
133.10161	5.2
136.07500	2.0
139.11163	15.1
145.04967	7.9
151.11180	37.4
156.08110	3.9
157.08452	5.0
157.12279	15.6
163.08659	1.7
169.12244	100.0
187.09607	4.0
187.13313	37.5
204.12151	5.5
207.07709	15.7
210.78421	1.9
232.07339	3.1
323.12259	8.7
330.26340	5.1
348.27341	4.4
366.12787	9.2
366.21161	2.0
366.28577	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2691
Annotation	9-Acetoxy-5-hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03946	2.2
55.01878	7.2
55.05522	15.0
57.03427	3.7
57.07069	3.8
67.05519	22.8
67.79604	1.4
69.03422	2.8
69.07079	22.7
71.05003	29.2
71.08640	3.3
71.48275	1.6
79.05503	19.3
81.07069	28.8
83.04977	4.9
83.08649	7.6
83.09054	2.0
85.06539	3.1
91.05486	18.0
93.07056	24.1
95.05013	8.5
95.08060	2.7
95.08614	25.5
97.06544	12.4
97.10191	4.5
101.42273	1.5
104.41965	1.4
105.07037	14.4
107.04948	3.7
107.08616	27.5
109.06535	22.3
109.10172	14.6
111.04424	2.4
111.08089	6.2
113.06042	3.9
117.07043	3.1
119.08600	17.1
119.20852	1.8
121.06533	2.9
121.10141	18.0
123.08091	16.5
123.11698	4.7
125.09635	2.4
129.07048	3.4
131.08575	7.7
133.10152	14.3
135.08080	11.1
135.11725	8.9
137.05946	1.7
137.09612	3.4
142.07829	2.1
143.08569	4.5
145.10176	7.4
147.08040	3.3
147.11678	5.3
149.09654	4.6
149.13252	4.6
151.11177	3.6
153.12721	2.2
157.10168	5.2
159.11690	5.6
161.09694	2.6
161.13297	2.0
163.11166	1.9
171.11656	5.0
173.09685	2.0
173.13271	4.1
175.11176	2.0
175.14792	2.3
177.12755	7.5
181.10086	2.0
185.13298	3.8
187.14815	2.7
191.03459	2.5
193.12227	3.4
195.11794	1.9
199.11171	2.0
207.76923	1.8
209.13322	1.9
233.19060	2.0
249.18617	2.6
249.22069	3.5
259.20636	2.6
261.18536	5.2
263.20059	2.1
273.18558	2.1
277.21667	45.7
279.19598	11.5
291.19781	8.0
291.26682	1.6
295.22638	8.8
301.25394	2.1
319.26285	6.1
329.21500	1.8
329.24860	14.8
347.25867	100.0
348.26239	3.2
365.14752	3.6
365.27283	26.4
383.90820	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03961	0.5
55.01865	1.0
55.05505	2.7
57.03438	0.4
57.06795	0.8
57.07077	16.7
67.05505	4.6
69.03423	0.7
69.07068	4.7
70.95694	1.0
71.04995	0.5
71.08625	1.3
77.74348	0.4
79.05491	3.5
81.07051	4.9
83.04961	0.8
83.08582	1.0
85.06544	8.8
91.05483	2.4
91.96369	0.4
93.07053	4.0
95.04942	1.0
95.08592	4.1
97.06532	2.1
105.07037	2.2
107.08607	3.6
108.14751	0.4
109.06518	4.9
109.10170	2.2
111.04446	1.5
111.08105	1.3
117.07062	0.5
119.07806	0.4
119.08576	2.5
121.10147	1.9
123.08069	5.7
123.60090	0.5
124.08855	1.2
125.05991	1.2
125.09651	0.5
131.08583	1.0
133.10138	1.9
135.08057	3.8
135.11697	1.8
137.05969	0.9
137.09604	0.8
139.07547	0.8
143.08585	0.7
145.10133	1.9
147.08011	0.5
147.11688	1.8
149.09608	1.3
149.13290	0.8
151.07553	4.4
151.11111	0.8
152.08350	2.9
157.10126	1.2
159.11713	0.5
161.09619	1.2
161.13287	0.6
163.11282	0.5
164.08380	0.4
165.09108	13.2
165.12802	0.9
166.09872	0.9
167.14325	0.6
171.11713	0.6
173.13266	0.5
175.11250	0.9
177.09163	1.0
177.12688	1.0
178.09901	0.6
179.10686	1.9
179.14365	0.8
187.11229	0.5
189.12822	0.5
191.10735	0.5
193.12262	1.2
195.13802	1.8
208.14565	1.7
219.13705	0.5
221.15482	2.2
235.16888	0.7
249.18433	1.2
263.20081	8.4
273.18491	0.6
281.20853	0.5
291.19513	2.0
305.24704	3.6
319.23557	0.4
319.26398	4.6
329.24570	0.6
337.27344	0.9
347.25812	53.4
348.26160	1.9
365.26883	100.0
366.27161	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03967	0.3
55.01871	0.5
55.05509	1.8
56.35873	0.4
57.03431	0.6
57.07077	16.4
67.05505	2.4
67.34439	0.4
69.03437	0.7
69.07069	3.4
71.04980	0.3
71.08647	0.4
79.05500	2.3
81.07061	3.4
83.04980	0.6
83.08617	1.0
84.41791	0.3
85.06546	10.2
91.05466	2.0
93.07050	3.0
95.04961	1.6
95.08607	2.3
97.02895	0.4
97.06535	1.3
98.98441	0.4
105.07040	2.3
107.04951	0.4
107.08585	2.6
109.06509	5.2
109.10158	1.8
111.08085	0.6
115.05447	0.4
117.07021	0.4
119.08588	2.2
121.10137	1.4
123.08060	5.1
124.08813	1.9
125.05999	0.5
125.09653	0.8
129.07016	0.5
131.08592	1.0
133.10114	1.3
135.08047	4.2
135.11710	0.7
137.05974	0.5
137.09653	0.9
143.08585	1.2
145.10132	1.5
147.08012	0.6
147.11679	0.8
151.07567	4.0
151.11200	0.5
152.08321	7.4
157.10127	1.5
159.11736	1.3
161.09604	0.5
161.13312	0.6
165.09122	10.0
166.09863	0.8
169.10156	0.4
170.10989	0.5
171.11714	0.5
175.11293	0.4
177.09096	0.5
177.12781	0.8
179.10675	2.0
179.14243	0.5
183.11806	0.4
185.13307	1.3
189.12769	0.4
191.14395	0.4
194.13031	4.3
195.11642	0.4
195.13713	0.5
197.13295	0.7
207.13792	2.2
223.13182	0.6
235.14850	0.6
235.16951	0.7
246.77428	0.4
249.18556	1.2
258.94647	0.4
263.20078	11.7
269.19183	0.4
273.18533	0.5
277.21887	0.4
279.19446	0.8
291.19629	2.3
291.22653	0.3
303.61554	0.4
319.26328	1.1
329.24988	0.4
337.27280	0.5
347.25854	24.6
348.26242	0.6
365.26910	100.0
366.27060	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
54.10791	0.6
54.32785	0.7
55.05428	1.9
57.03374	1.2
57.03624	0.8
57.06974	8.6
57.07288	2.7
57.59925	0.7
67.05394	3.6
69.06950	2.9
71.08537	0.7
79.05376	2.2
79.05800	0.7
81.06940	4.0
83.08539	1.4
85.06429	7.1
85.35688	0.6
86.83023	0.7
91.05365	3.8
93.06916	2.3
95.08483	4.1
97.06442	1.3
105.06918	3.1
106.03371	0.7
107.08477	2.9
109.06520	14.0
109.10090	1.5
119.08453	2.2
119.93135	0.6
121.10052	1.9
123.08068	5.0
131.08438	1.1
133.10063	1.4
135.07967	1.4
135.11618	2.0
137.05878	3.1
142.07747	1.2
143.08475	0.9
145.10063	1.9
147.11656	1.7
149.09599	0.9
151.07555	7.5
152.08261	1.0
157.10031	2.1
159.11636	0.8
161.09497	0.7
165.09142	7.0
171.11591	1.5
179.10632	1.1
185.13235	1.4
193.12111	1.2
197.13234	0.7
220.33052	0.7
221.15370	1.1
263.20081	100.0
264.20422	3.1
273.18546	0.9
281.21393	0.8
305.24722	2.3
313.44070	0.8
319.26340	2.2
347.25827	21.8
365.15057	1.9
365.27039	44.2
366.27637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05397	1.5
55.05684	0.9
55.19276	0.5
57.06948	6.4
57.07271	3.2
67.05374	2.3
69.03339	0.7
69.06936	2.6
69.58768	1.0
69.59177	2.3
79.05365	2.5
81.06915	4.4
81.07454	1.3
83.08496	1.1
83.08920	0.6
85.06400	5.9
85.06959	1.1
91.05331	2.4
93.06892	2.6
95.04859	0.6
95.08463	3.7
97.06429	0.7
99.07982	0.6
105.06883	2.3
107.08450	2.5
109.06372	11.1
109.07173	1.2
109.10081	1.0
109.41074	0.5
112.85317	0.5
117.06909	1.2
119.08408	2.0
121.09982	1.7
123.07928	3.7
123.11644	1.0
129.06792	0.7
131.08444	0.8
133.09984	1.8
135.07913	1.6
135.11548	1.8
137.05988	2.6
139.07472	0.5
142.07718	0.5
143.08418	1.1
145.09964	1.3
147.11438	0.7
149.09505	0.7
151.07549	7.0
151.11028	0.6
152.08186	1.8
155.08559	0.6
156.09180	0.5
157.10016	2.3
159.11661	0.9
161.13109	0.6
163.11082	0.7
165.09128	5.4
165.12671	0.7
171.11584	1.0
177.08995	0.5
179.10635	0.6
185.03983	0.5
185.13280	1.3
193.12181	0.9
195.11642	0.6
197.13234	0.7
208.14519	1.0
221.15260	1.8
246.36589	0.6
249.18614	0.7
263.20081	100.0
264.20493	2.4
273.18597	0.8
291.19760	0.8
296.74039	0.5
305.24881	1.4
319.26300	1.8
347.25900	18.2
365.10831	0.7
365.15057	0.9
365.27094	36.8
366.27332	1.0
386.61462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71656	1.8
51.26913	1.7
53.03934	2.9
55.01864	5.0
55.05318	1.7
55.05519	19.1
57.03406	2.5
57.07064	5.9
59.04988	3.4
65.03930	4.8
67.05183	2.7
67.05511	35.1
69.03425	6.5
69.07072	16.9
71.04977	4.9
71.48757	2.6
74.22324	1.9
79.05500	27.6
81.07063	31.1
83.04963	7.5
83.08607	7.2
85.06539	8.1
91.05486	36.1
93.07053	38.0
95.04984	51.7
95.08613	43.5
95.16975	2.0
97.02864	2.9
97.06530	7.8
97.10168	2.7
103.05472	2.2
105.07037	48.1
107.04939	4.3
107.08604	38.1
109.06573	11.6
109.10166	22.7
115.05465	6.4
116.06219	2.1
117.07021	16.2
119.08595	49.8
121.06512	6.2
121.10162	20.4
123.08078	6.5
123.11696	4.9
123.32726	2.1
125.09550	2.2
126.31552	1.9
128.06233	9.1
129.07039	14.3
130.07796	4.3
131.08578	33.7
133.06493	4.7
133.10155	29.3
135.08087	14.4
135.11703	8.6
141.07019	5.4
142.07806	14.9
143.08571	25.9
144.09370	10.0
145.10147	30.8
147.08060	9.6
147.11684	10.8
149.09634	4.7
151.11151	3.1
153.07033	3.7
153.33264	2.1
154.07776	4.2
155.08562	15.3
156.09375	17.0
157.10139	41.4
158.10884	7.1
159.08018	7.7
159.11703	44.1
161.09593	9.6
161.11977	1.8
161.13213	10.8
165.07005	7.2
166.07736	3.1
167.08592	13.4
168.09348	7.5
169.10153	23.4
170.10901	12.2
171.11702	32.0
172.08838	3.6
172.12422	6.2
173.09636	8.6
173.13321	10.4
175.11227	6.7
175.14787	2.6
177.12816	2.7
179.08551	12.4
180.09404	8.2
181.10106	23.2
182.10963	9.5
183.11703	33.4
184.12479	5.6
185.09595	3.1
185.13287	25.5
187.11229	18.2
187.12744	2.2
187.13293	2.4
187.14854	19.4
189.12747	4.0
191.08556	3.0
191.14301	3.6
192.09340	5.9
193.10188	18.1
194.10918	10.2
195.11722	32.9
196.12512	12.3
197.09622	2.8
197.13275	24.8
198.13983	3.7
199.11223	4.7
199.14832	8.0
201.12810	5.9
201.16248	3.1
203.08504	2.3
203.14375	4.5
205.10188	3.6
205.15903	9.0
206.10957	9.0
207.11708	25.0
208.12440	14.6
209.13284	28.5
210.14037	4.2
211.11139	2.5
211.14883	10.4
213.12810	14.6
213.16505	3.8
217.10086	2.4
217.15933	2.8
218.10971	3.0
219.11746	9.2
220.12572	7.1
221.13278	21.7
222.14078	11.2
223.14883	23.1
224.15565	4.2
225.12807	7.6
225.16425	6.2
227.14392	4.7
227.17940	2.3
229.15962	3.1
231.11664	4.5
232.12480	4.5
233.13339	7.5
234.14053	8.6
235.14705	10.4
236.15663	5.5
237.16371	14.5
238.17177	6.2
239.14421	5.4
239.17993	3.0
241.15973	6.3
244.12440	2.6
245.13123	3.3
247.14798	11.3
248.15720	5.6
249.12700	3.2
249.16351	12.8
250.17252	2.5
251.17953	15.3
253.15950	3.3
255.17464	7.4
259.14777	4.8
260.15561	3.0
261.16476	3.7
263.15512	2.0
263.17963	14.0
264.18689	5.9
265.15930	6.8
265.19568	6.4
267.17435	7.7
269.19125	5.5
273.16357	5.9
276.15051	3.4
277.15952	5.9
277.19275	4.2
278.40125	2.5
279.17517	2.2
281.19006	6.6
282.19724	6.0
284.30585	2.0
289.19537	7.3
291.17038	4.5
291.19644	8.8
303.21051	2.6
307.20471	3.5
317.18948	3.3
319.24283	3.9
329.22745	2.7
347.23483	35.1
348.24075	2.3
365.15009	4.2
365.24759	100.0
366.24966	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01871	7.7
55.05276	1.9
55.05515	28.3
56.96564	2.1
57.03440	10.3
62.50584	1.4
64.59518	1.4
67.05508	42.9
68.55666	1.7
69.03436	14.2
69.07073	41.7
69.95297	7.5
71.04978	2.0
79.05070	3.0
79.05498	34.4
81.03387	5.1
81.07061	30.4
83.04971	5.8
83.08621	12.7
85.06506	2.5
91.05486	22.5
93.07046	23.3
95.04986	10.2
95.08598	15.9
97.02901	14.2
97.06532	4.1
97.10190	16.8
97.26437	1.5
99.08047	1.7
105.07031	18.9
107.04951	10.5
107.08604	16.8
109.06514	6.0
109.10165	13.6
111.08066	3.8
115.05447	2.4
117.07006	8.0
119.08593	16.4
121.06532	4.1
121.10154	6.7
123.08040	3.8
125.09660	13.0
129.06998	4.7
131.04984	1.6
131.08604	11.6
133.06459	3.8
133.10155	14.6
135.08044	5.5
135.11729	3.5
137.09575	3.9
143.08560	4.5
145.10101	9.0
147.08018	6.4
147.11678	4.5
149.09598	3.9
149.13255	2.6
151.11174	4.0
157.10124	2.5
159.08054	2.9
159.11676	3.5
161.09613	4.3
163.11252	3.8
165.09108	3.2
175.11177	3.9
177.12817	2.7
181.56641	1.6
183.11665	2.7
187.11150	1.8
189.11226	5.3
189.12759	2.4
205.12209	3.8
223.13278	32.2
227.18019	2.1
245.19044	3.5
253.14302	1.7
255.17621	2.3
257.96646	1.7
263.20197	2.1
273.18542	18.8
273.67557	1.6
291.19559	100.0
349.93488	1.7
365.10858	2.2
365.15558	8.7
365.23282	56.6
365.28058	3.3
365.32730	2.3
366.23981	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2306
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03939	0.9
55.01869	2.2
55.05518	3.5
57.03440	1.4
57.04462	0.7
64.67829	0.8
67.05511	4.9
69.07052	1.3
69.84365	4.0
79.05506	4.1
81.07058	6.6
82.00335	0.7
83.04974	2.0
83.08617	1.0
85.06602	0.8
86.08905	0.8
91.05475	6.8
93.07040	5.3
95.04961	2.5
95.08591	2.7
97.35278	0.7
105.07040	3.6
107.04961	1.9
107.08660	3.8
109.06512	2.2
109.10188	2.3
111.04447	2.4
111.08054	0.8
117.07032	1.5
119.08607	2.7
121.06503	1.1
121.10138	2.0
123.08112	1.0
131.08554	2.4
133.10123	2.7
135.04305	0.7
135.08072	1.6
135.11688	1.3
143.08606	0.9
145.10165	1.8
147.08035	1.2
147.11804	0.7
149.09680	1.1
151.11240	1.7
153.12759	0.6
161.09709	0.8
163.11238	1.2
171.11821	0.8
175.11314	0.9
205.08386	13.0
245.18796	0.9
249.14821	1.1
253.14348	0.9
267.09119	0.8
273.18567	2.5
281.37656	0.8
285.10077	0.9
291.19629	4.6
324.65134	0.7
347.22153	0.9
365.19620	6.1
365.23065	100.0
366.23145	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25178	1.3
52.28952	1.2
55.01855	6.2
55.05270	2.2
55.05515	26.6
55.90730	1.2
57.03455	8.9
57.07076	1.3
61.91909	1.4
67.05192	1.9
67.05509	28.4
69.03424	14.6
69.07072	51.5
71.05009	2.8
71.08675	1.4
79.05497	21.2
81.03413	3.7
81.07061	20.6
83.04987	4.0
83.08622	9.1
91.05488	14.8
93.07057	16.4
95.04967	7.8
95.08608	12.1
97.02905	15.2
97.06549	3.3
97.10175	13.7
105.07052	10.8
107.04969	7.8
107.08585	11.3
109.06530	2.5
109.10155	10.6
111.08071	2.2
117.07032	5.0
119.08593	10.6
121.06463	3.4
121.09317	1.2
121.10150	5.3
123.08086	4.4
125.09636	11.2
128.06274	2.1
129.07007	1.9
131.08542	7.6
133.10129	5.2
135.08051	3.6
135.11664	3.1
137.09666	2.9
143.08528	4.5
145.10101	5.5
147.08026	2.9
147.11674	2.6
149.09677	1.7
149.13258	3.7
157.10101	5.5
159.11824	1.8
161.09589	2.0
163.11273	1.7
165.09138	2.0
171.11652	1.8
172.10580	1.4
177.12758	1.7
181.10060	1.5
185.13268	1.8
189.11227	6.2
193.12192	1.7
205.12299	3.1
223.13284	29.0
245.19046	2.5
249.14972	1.4
255.17410	2.3
263.20071	2.2
273.18542	10.9
291.19568	100.0
365.10675	3.0
365.15195	4.6
365.23166	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16703	1.1
69.03404	1.3
70.58301	1.6
70.58647	3.2
71.04913	1.4
71.43369	1.1
79.05444	1.6
85.02863	1.5
91.05470	1.6
95.04964	2.2
97.02863	1.5
98.60059	1.3
107.04930	1.2
113.00080	1.5
113.20153	1.3
119.08518	1.5
120.04377	1.3
120.08055	3.6
122.05963	3.4
125.02258	1.6
138.05414	3.4
143.08403	1.8
146.06108	1.9
146.07184	1.6
148.07520	5.7
156.08032	1.4
161.05849	1.6
166.04886	5.0
167.07040	1.6
168.06638	1.5
171.09145	2.4
172.07486	3.1
174.09113	3.4
175.08693	9.0
176.07082	8.6
184.07616	1.3
185.04164	1.2
186.09155	2.2
189.10159	3.9
190.08611	2.1
196.07510	2.2
198.09193	2.0
199.08702	9.9
200.06967	5.0
202.07043	1.9
202.08682	2.7
203.08185	21.2
204.06438	1.8
211.94412	1.3
213.10118	4.3
214.08611	2.6
217.09816	15.4
224.06895	1.4
227.08159	15.1
228.06418	1.7
229.09628	1.9
235.10657	4.7
241.09753	8.1
242.07971	5.7
245.09254	54.7
247.10704	2.1
250.06912	1.5
259.10825	9.9
260.08987	1.5
263.10272	27.7
269.09024	4.3
271.10733	1.6
273.08542	4.1
287.10248	23.1
289.11731	2.2
291.09720	7.4
305.11328	100.0
306.11542	2.8
315.09598	4.1
323.12378	28.0
333.10815	18.3
347.12244	2.6
365.13235	95.2
365.20566	4.4
366.13452	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09034	0.8
55.35996	0.8
70.68345	2.3
81.89490	0.8
82.99856	1.7
85.34927	0.8
90.18767	0.8
101.00896	6.8
110.01418	1.5
113.00913	3.1
119.01908	6.8
119.36318	0.8
122.01366	4.3
128.01421	1.8
131.01891	6.2
131.52008	1.1
137.01936	3.5
143.01895	9.9
143.02911	0.9
145.03500	3.7
152.02448	1.1
155.01859	5.7
157.03429	1.3
158.02513	1.3
161.01910	0.9
161.02982	5.4
164.02423	1.2
167.01913	3.1
169.03532	1.3
170.02487	0.9
173.02980	10.4
173.53125	2.5
185.02924	5.5
185.04285	24.7
187.04504	1.4
197.03056	3.6
203.05330	47.8
203.54187	0.8
212.04593	1.5
215.04068	2.0
224.04561	1.8
227.04111	2.1
245.05084	21.2
245.07480	1.2
257.05322	0.9
263.06259	3.5
275.06088	3.8
284.31284	1.1
302.88751	0.9
365.10669	100.0
366.10934	1.2
370.42535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04729	0.9
53.05022	0.9
56.84351	1.1
71.15331	1.2
71.15682	1.9
82.99861	2.7
85.02893	1.1
89.03920	5.0
91.66228	1.0
92.57811	1.1
97.02953	1.7
101.00889	13.2
103.00703	1.4
107.04973	4.4
110.01415	2.5
113.00849	5.1
115.02471	1.3
117.03391	3.5
119.01930	9.6
122.01418	7.6
123.15488	1.2
127.02419	2.6
128.01390	2.9
129.04033	1.4
131.01918	11.6
131.51968	1.0
133.03511	2.0
134.01416	1.1
135.04375	5.7
137.00987	1.7
137.01889	7.7
137.02823	1.1
137.51938	1.3
143.01915	15.6
145.01807	1.7
145.02724	1.5
145.03528	4.2
147.03200	1.5
149.01921	1.9
152.02434	2.4
155.01869	9.9
157.03511	4.4
159.03300	1.4
161.02954	7.9
163.03891	32.3
164.04283	1.1
167.01840	5.4
169.03543	4.9
173.02968	15.8
173.53096	2.3
175.02750	1.9
177.04282	1.0
179.01860	1.4
179.53514	1.0
185.02957	14.3
185.04292	22.8
185.75500	1.0
187.04611	4.0
194.03535	2.0
197.02898	5.6
203.05374	47.7
203.54176	1.4
209.02879	1.1
215.04025	5.1
221.03001	4.0
221.04944	1.7
224.04634	2.5
227.04150	4.5
233.07022	1.3
245.05074	30.4
245.07503	1.8
257.05191	2.6
263.06323	4.5
275.06180	6.2
293.07410	1.9
305.05502	1.9
325.29535	1.1
333.05087	3.9
361.18460	1.1
365.10663	100.0
366.11008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54205	1.8
55.24180	1.7
58.40413	1.8
63.42921	1.7
69.17027	1.9
70.75705	4.5
75.35264	1.7
101.00880	8.6
107.75421	1.7
112.84748	1.5
113.00890	3.3
119.01918	8.3
131.01932	5.9
143.01903	14.3
145.03496	6.3
155.01927	7.3
157.03491	2.8
161.02992	10.0
164.02379	2.4
167.01949	4.1
169.03482	3.8
173.02960	12.8
185.02782	12.0
185.04344	22.6
187.04572	2.8
194.03493	2.9
197.02985	8.9
203.05354	55.8
215.04022	5.3
221.03078	2.0
227.04051	4.0
245.05086	33.4
245.14078	1.8
263.06134	6.7
273.32410	1.8
275.06128	7.5
305.10959	2.4
365.10852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94645	27.6
66.05563	25.5
67.05479	31.9
67.61550	25.1
70.54362	85.6
85.02908	56.7
87.55209	27.9
91.05445	54.5
93.07026	50.6
120.39211	26.7
123.04484	27.5
141.05464	62.7
165.09137	45.5
167.07071	100.0
183.10216	44.4
328.31717	29.4
363.10580	55.0
363.16226	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37009	0.8
53.03943	1.3
55.05513	4.6
57.07080	8.2
59.04995	1.0
61.26170	0.7
61.80241	0.8
67.05514	6.2
69.07071	6.4
69.21982	7.3
70.71030	0.7
71.04992	1.8
71.08648	5.8
79.05502	5.0
81.07058	13.4
83.04963	0.9
83.08634	1.8
85.06530	2.9
89.06010	3.6
91.05473	4.1
93.07052	6.4
95.04971	2.4
95.08602	11.6
97.06518	1.9
97.10153	1.6
98.20775	1.0
99.08073	2.1
105.07014	4.8
107.08628	4.1
108.03841	1.1
109.06524	16.8
109.10173	3.7
111.08096	1.6
119.08598	4.7
121.06496	0.9
121.10126	4.2
122.07281	1.8
123.08080	39.7
123.11691	1.5
131.08536	0.9
133.08577	1.4
133.10124	3.1
135.08040	4.4
135.11687	1.3
135.59076	0.7
137.09605	2.1
145.10114	2.4
147.11707	2.3
149.09650	1.2
149.13182	0.8
157.10197	1.1
158.41393	0.7
159.11755	1.4
161.09671	0.8
161.13255	1.2
165.12849	0.8
167.14313	2.1
173.13275	1.0
179.14320	85.1
180.14725	1.8
193.15891	2.6
195.12257	1.1
196.93910	0.7
205.16016	0.9
219.17595	0.7
233.19019	1.0
251.04811	2.0
275.20096	1.2
289.25330	1.2
302.39508	0.7
303.10965	0.7
307.22778	2.5
329.47928	0.8
331.26318	5.5
332.23044	0.7
345.27878	0.9
363.13565	4.8
363.28955	100.0
364.29248	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74721	1.3
56.96562	2.3
69.03439	2.0
70.06583	4.5
71.48993	2.0
71.49374	1.5
73.46371	1.3
76.09415	1.6
76.72977	1.5
78.04698	2.6
79.05491	1.9
85.02888	3.4
85.24027	1.5
95.04976	1.9
95.06107	1.8
97.02895	2.3
107.04955	4.0
109.02872	1.7
120.08181	2.3
121.06558	1.5
123.04425	5.2
140.04744	2.0
150.05443	1.6
151.03929	1.8
156.10242	1.6
163.03947	8.6
163.20326	1.4
166.05058	1.8
167.05482	3.7
167.07050	100.0
184.09720	2.9
189.92686	1.4
190.04951	2.2
202.10889	1.5
363.54010	1.7
364.18787	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	363.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54324	12.3
71.08663	25.6
74.55507	13.6
79.05483	13.8
85.02941	13.2
89.03894	12.5
91.05457	29.2
93.07042	100.0
93.49016	11.6
94.28898	11.2
95.04973	19.1
99.43181	12.4
105.07086	16.4
108.22485	12.7
111.26939	12.0
115.08797	12.4
119.08544	30.1
121.10199	11.7
123.04389	23.0
125.02409	14.4
137.06007	24.8
147.04411	14.9
147.08014	15.2
163.03922	47.3
165.09138	95.7
167.07050	22.2
287.90073	15.0
363.16031	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1651
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
60.21410	37.4
71.01026	67.1
71.01350	45.0
77.25392	34.0
79.05502	43.0
93.07050	63.2
95.44899	33.5
114.99313	37.4
119.08553	61.5
123.04446	51.6
141.05472	100.0
165.09142	89.7
166.03279	35.7
167.07066	49.5
183.10277	53.0
283.91248	39.6
363.10922	59.8
363.16077	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01872	1.1
55.05529	0.7
67.05512	1.4
68.83520	0.8
69.07081	1.1
70.58632	0.8
70.99887	2.0
79.05504	13.6
81.03439	8.0
81.07061	1.3
91.05501	4.3
93.07051	4.2
94.66948	0.8
95.04987	4.5
100.44391	0.7
105.07069	5.0
107.04989	1.9
107.08608	9.4
117.07033	1.7
119.08598	2.3
121.02889	2.7
121.06509	5.5
128.06186	0.8
129.07039	2.2
131.08566	3.1
133.06488	1.7
133.10114	5.3
137.06012	6.1
138.06332	2.8
141.07060	1.0
143.08553	3.8
145.06516	1.9
145.10141	2.3
147.04453	1.2
147.08092	0.8
149.06000	1.9
155.44295	0.9
157.10150	3.0
159.08080	3.4
159.11674	1.1
160.90660	0.7
161.05989	15.4
161.08295	1.6
161.09630	20.7
167.07158	1.3
167.08571	3.4
169.10091	1.8
171.08051	1.5
173.09651	1.3
177.09036	1.1
181.08435	0.9
181.10132	1.3
183.08046	1.1
183.11705	1.1
185.09682	4.1
189.09029	1.0
195.08037	1.2
197.13370	1.1
207.11768	2.1
211.11232	2.4
225.12706	6.1
231.10132	1.5
235.11214	3.8
237.12712	1.5
249.11256	6.0
253.12228	6.1
255.13805	1.2
271.13318	12.2
277.10806	0.9
281.11832	5.3
299.12827	16.2
317.13867	100.0
318.14136	2.8
334.67981	0.7
345.13272	1.4
362.15988	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
57.03429	1.5
61.02924	2.1
67.05521	1.1
69.03431	5.6
69.07085	1.0
70.06613	1.0
76.28539	0.9
81.03419	2.6
81.07087	1.2
85.02905	12.0
85.55720	1.0
89.03912	2.1
91.03981	0.9
91.05489	2.4
93.07011	1.4
94.06590	5.9
95.04960	1.1
97.02889	5.8
98.97597	1.1
108.08133	5.9
109.02853	1.4
110.06048	3.6
110.70363	0.8
112.07598	1.2
116.98587	1.2
117.03331	1.2
119.07281	1.0
120.08073	1.2
122.06033	19.4
123.04475	1.6
124.07586	1.1
127.03912	2.1
135.04410	2.3
136.07584	19.5
137.05972	1.2
138.09174	1.1
139.07541	1.0
140.07071	23.5
145.04974	2.4
154.08638	13.6
163.03891	7.4
164.07108	5.8
165.05481	1.9
180.08968	1.3
182.08134	23.7
183.69220	1.0
184.08430	1.7
200.09183	100.0
201.09581	1.7
201.12306	1.1
208.08394	1.7
233.34035	1.1
234.96985	1.1
235.07608	1.4
236.07918	4.1
239.06931	1.6
240.07376	1.9
250.87740	1.0
252.98056	1.6
253.10545	3.9
279.15344	0.9
282.08322	1.8
298.12509	1.7
299.11069	4.5
339.07993	1.0
344.13107	3.2
362.14377	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85613	5.1
57.03440	6.7
59.01054	4.1
61.02915	6.4
69.03424	20.2
71.33705	9.0
71.34052	7.3
73.02906	9.9
85.02900	27.1
88.94406	4.3
89.05072	4.1
97.02866	16.3
98.97591	20.8
99.04379	5.2
101.00835	5.5
108.93268	4.2
110.97591	7.6
116.98648	5.1
119.01836	9.7
127.03892	14.2
131.01891	5.8
140.02341	5.7
143.01923	6.5
158.99667	19.4
163.03879	8.8
164.04312	6.0
166.20984	4.5
170.99655	8.2
173.02995	5.6
177.00755	5.7
182.03436	11.8
189.00755	4.5
191.03911	34.1
200.03050	100.0
201.00790	10.3
209.04836	5.5
219.01794	12.3
246.16304	4.5
270.55768	4.6
272.06598	5.4
279.03854	12.8
281.07025	18.6
330.03897	6.9
362.08533	84.0
363.10513	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	361.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01866	7.3
55.05514	13.9
57.07088	1.5
65.03931	2.1
66.53716	1.1
67.05183	2.1
67.05511	26.1
68.99792	1.7
69.03409	2.3
69.07073	10.8
70.94252	1.4
71.05006	2.4
71.49123	2.4
79.05497	35.8
81.03412	3.8
81.07061	100.0
83.04987	2.5
83.08590	2.0
91.05479	16.2
93.07050	23.3
95.04974	25.2
95.08607	19.1
97.04185	1.3
97.06513	1.5
97.10163	3.0
102.01932	1.5
105.07030	9.1
107.04937	5.0
107.08593	10.8
109.06522	48.7
109.10157	18.5
111.08110	2.0
111.67770	1.3
114.03221	1.4
117.07017	6.0
119.08586	12.4
121.06521	1.9
121.10136	6.0
123.08064	1.4
123.11731	2.5
125.09623	2.1
129.01845	11.4
129.07045	2.3
131.08572	5.7
133.10117	4.9
135.08057	2.3
135.11684	4.2
137.09621	42.0
140.35835	1.3
143.08536	3.3
145.10117	9.1
147.11665	4.4
149.09596	2.5
149.13243	1.9
151.11195	1.7
157.10110	2.8
159.11699	5.5
161.13235	2.2
163.11177	2.4
171.11652	3.1
173.13261	4.4
181.15561	1.6
185.08089	4.6
187.14807	2.5
189.16420	2.8
201.16449	1.9
215.17935	2.1
261.18625	1.5
315.26645	1.9
343.26328	17.5
359.10562	1.2
361.24057	1.5
361.27515	18.7
382.02191	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.0
55.01881	19.9
55.05515	67.3
57.03448	5.8
57.07052	4.3
65.03936	3.9
67.05509	60.4
67.52876	2.8
68.00758	3.0
69.03426	4.4
69.07067	45.6
71.04984	5.9
71.49309	5.3
79.05495	54.6
81.07058	100.0
83.04990	7.7
83.08617	49.7
85.06539	3.0
90.34371	2.6
91.05473	40.6
93.07044	60.6
95.04967	21.6
95.08609	84.1
97.06538	15.2
97.10167	17.0
105.07029	40.7
107.04936	11.9
107.08595	37.7
109.06522	29.7
109.10146	28.9
111.08071	11.7
113.09628	7.8
117.07031	19.2
119.08585	41.5
121.06496	10.5
121.10149	23.0
123.08056	8.1
123.11711	7.9
125.09601	7.9
127.07475	3.1
129.01817	28.1
129.06969	9.0
131.08563	29.5
133.06390	4.7
133.10126	30.0
135.08043	8.1
135.11693	21.9
137.09610	19.9
137.13223	3.6
143.08546	10.0
145.06509	3.7
145.10141	23.5
147.08003	8.3
147.11703	13.8
149.09584	10.7
149.13217	9.0
157.10109	10.9
158.91074	2.8
159.11710	21.5
161.13278	6.8
163.11168	10.8
163.14861	3.4
169.10149	3.5
170.21294	2.9
171.11699	11.1
173.09602	4.6
173.13333	14.8
175.11224	7.3
175.14796	13.6
177.12762	6.8
183.11684	3.6
185.08066	13.2
185.13275	5.0
187.14832	8.7
189.11096	4.8
189.12740	4.1
189.16347	3.5
197.13303	4.1
199.14777	5.3
201.16356	7.7
213.16451	6.0
215.17892	5.5
217.15779	4.1
219.17516	4.2
227.17819	4.3
231.17393	7.7
233.18990	11.9
237.18456	5.4
249.18488	11.1
261.18661	3.9
263.19986	3.0
273.18481	6.9
275.20081	7.5
284.61282	3.3
287.20261	4.7
291.19479	15.3
315.26624	5.9
325.25107	10.9
333.27701	3.3
343.26364	71.6
361.10693	5.5
361.27539	74.7
361.37650	12.4
370.66162	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.39117	1.8
71.49187	3.5
74.89780	2.2
78.04717	2.6
79.05488	15.2
81.07051	2.2
91.05499	24.0
92.98857	2.4
93.07045	9.6
95.04963	9.7
103.05477	13.7
105.07040	13.5
107.04965	43.0
109.06512	4.1
115.05451	6.5
117.06998	6.5
119.04940	5.8
119.08630	3.3
120.05721	3.9
120.62421	2.1
121.06512	21.9
122.03635	2.3
123.04423	8.5
123.54670	2.4
124.05231	3.3
128.06204	10.2
129.07014	30.5
131.04930	12.1
131.08559	13.0
133.02888	3.0
133.06473	5.3
135.04402	4.0
135.08055	6.1
137.05978	16.4
138.03148	2.9
140.04745	2.8
143.08592	2.8
145.06471	6.9
146.03642	3.5
146.07281	5.8
147.04420	6.9
147.08061	4.8
148.05183	6.0
149.05989	6.9
150.06773	4.1
151.03886	7.9
151.07555	19.4
152.04677	4.7
153.05450	14.5
155.07054	3.3
157.06494	21.2
159.08032	2.7
161.05989	61.6
161.09612	17.7
163.07542	24.2
165.07004	8.5
165.09134	8.5
166.06285	8.4
166.07712	2.6
167.07060	73.6
167.08441	5.0
169.06551	2.4
174.06744	15.7
175.07550	8.8
177.09103	11.9
179.07047	6.3
179.08597	8.7
181.06784	4.5
181.08603	91.7
182.07356	6.0
189.09120	100.0
190.07814	3.5
191.08592	4.7
191.10583	3.2
193.06424	4.3
194.07379	4.2
195.08099	15.1
197.05901	3.7
197.09651	10.7
198.26146	2.1
199.07509	2.7
205.06465	2.7
207.08214	4.1
207.10167	26.1
208.05232	2.9
208.08826	4.8
209.05908	2.5
209.09657	2.6
210.06775	6.2
211.07556	6.8
219.08061	8.4
219.10182	4.2
221.06038	5.4
222.06741	3.8
223.07564	10.5
223.11189	3.8
224.08334	3.9
225.05432	2.9
225.09163	17.3
227.07027	6.5
229.12300	3.6
235.07532	4.3
236.04541	2.8
236.08284	4.4
237.05531	2.5
237.09106	6.0
239.06996	6.7
239.10693	3.6
240.07918	5.3
241.08543	5.8
242.09425	4.1
247.07637	4.5
251.06947	3.3
251.10727	9.7
253.08574	13.7
254.09230	2.6
255.06480	6.5
255.10211	6.8
257.11823	17.3
265.08551	4.1
267.06381	3.1
267.10196	4.8
268.07416	4.3
269.08115	4.6
270.08911	5.3
271.12985	3.8
279.10199	7.9
283.09653	16.2
283.13235	8.3
285.11194	32.4
296.10559	2.8
297.11224	4.6
299.09174	2.6
299.12671	5.3
302.11621	6.1
311.12698	7.0
315.12219	20.3
317.13806	19.6
329.13736	5.0
331.15225	4.1
343.15253	11.4
361.16614	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.2
55.01867	3.7
65.03959	3.7
66.69536	2.8
69.35469	22.7
70.13185	3.1
78.04721	3.2
79.05505	14.4
81.07068	3.5
87.95785	2.7
91.05495	25.6
92.46904	2.7
93.07047	14.1
95.05000	8.5
102.00102	3.4
103.05480	14.1
105.07056	15.7
107.04961	36.5
109.06545	3.3
115.05491	3.7
117.07021	6.9
119.04968	7.2
121.06528	31.2
123.04438	10.6
124.05209	4.5
128.06247	12.0
129.07031	30.9
131.04982	10.4
131.08569	8.4
133.02879	3.3
133.06482	5.7
135.04439	4.6
135.08124	6.8
137.06010	22.5
138.06679	3.1
141.07031	3.3
141.72461	3.6
144.05775	3.7
145.06490	9.1
146.03691	3.3
147.04433	7.2
147.08096	7.0
149.05984	8.9
151.03915	6.2
151.07605	19.9
152.04678	8.7
152.06152	3.8
153.05481	11.0
155.07100	4.0
157.06494	22.5
159.08025	5.0
161.06007	66.2
161.09636	15.0
162.16382	3.8
163.07565	20.5
165.07016	8.0
165.09142	6.5
166.06306	12.1
166.07716	3.2
167.07076	76.3
167.08452	5.9
174.06792	13.9
175.07558	8.8
177.05501	3.6
177.06934	3.4
177.09113	12.7
179.07149	6.0
179.08647	7.7
181.06789	5.5
181.08614	100.0
182.07275	9.8
183.08066	5.4
184.38597	3.6
189.09134	89.0
191.08698	3.8
191.10684	4.2
193.06552	6.9
194.07356	8.9
195.08076	11.9
197.09679	7.8
199.07593	3.3
207.08221	6.3
207.10205	25.3
208.08948	3.3
209.09753	3.0
210.06734	4.5
211.07625	5.1
219.08116	5.6
221.05962	5.1
222.06792	5.1
223.07597	11.2
223.11165	4.1
225.09145	19.9
227.07100	6.8
231.66127	2.9
235.07660	4.1
236.08214	5.4
237.09120	6.3
239.07079	5.0
239.10733	3.1
240.07799	6.5
242.09482	3.1
250.19669	2.8
251.07101	6.8
251.10799	9.4
253.08595	20.1
255.06631	4.0
255.10126	6.9
257.11752	22.8
265.08563	5.1
268.07291	4.2
270.08871	7.7
271.13376	3.7
279.10306	8.2
283.09659	14.1
283.13306	9.2
285.07748	7.5
285.11270	41.0
297.11234	6.6
299.09485	3.9
299.12750	4.6
302.11447	6.2
311.12766	8.5
315.12283	22.4
317.13971	24.9
331.15225	3.3
343.15289	9.1
361.16574	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	361.1649
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
50.89694	3.3
53.03936	4.9
60.10695	4.1
60.31934	4.1
69.92006	19.7
75.48179	4.1
79.05508	18.3
81.07029	5.4
91.05485	40.3
93.07062	15.5
95.05003	5.6
98.21489	5.3
99.56286	4.0
103.05482	17.6
105.04567	4.9
105.07051	22.9
106.04199	5.5
107.04959	52.2
108.65760	3.8
117.07079	7.6
119.04952	9.4
119.08578	5.0
121.06525	24.7
123.04494	11.1
128.06250	11.6
129.07013	41.3
131.04939	11.2
131.08604	21.0
132.63065	3.8
133.02919	5.3
133.06503	7.0
135.08084	4.9
136.05328	4.3
137.05968	28.4
145.06511	7.8
146.07269	5.5
147.04420	5.2
148.05243	7.8
149.05994	15.4
151.03932	6.9
151.07536	21.7
153.05482	16.3
153.07048	4.3
154.51576	4.4
155.07114	5.0
157.06461	27.2
159.08052	5.5
161.06006	67.6
161.09567	23.0
161.36264	4.6
163.07585	33.5
165.05728	4.0
165.07036	12.0
165.09154	13.1
166.06282	14.6
166.07697	4.9
167.07074	89.6
167.08473	5.5
168.22604	4.4
174.06850	13.5
175.07593	6.0
177.09166	11.4
179.07054	9.2
179.08549	7.7
181.06604	9.1
181.08617	100.0
181.10211	5.1
182.07304	10.5
189.09129	97.3
193.06488	5.0
194.07210	5.9
195.08113	14.2
197.06006	5.1
197.09637	10.2
207.08267	8.7
207.10228	31.2
208.08803	8.7
209.09613	5.0
210.06801	8.4
210.40469	4.0
211.07574	9.4
219.08118	12.6
221.06006	6.8
222.06752	7.2
223.07584	10.9
225.09114	19.8
227.07138	5.6
229.12323	4.7
236.08220	6.8
237.08923	5.7
239.07143	11.4
239.10625	5.2
240.07799	7.6
242.09360	4.5
251.06963	7.2
251.10750	14.0
253.08714	19.6
255.06516	7.9
255.10283	13.0
257.11746	22.6
265.08664	10.6
267.10330	6.0
268.07245	7.2
270.08865	8.0
271.09695	4.6
279.10226	7.9
283.09680	16.0
283.13394	12.9
285.07980	7.8
285.11185	38.0
296.10693	5.5
299.12814	5.7
302.11502	5.1
311.12723	9.9
315.12335	24.7
317.13864	26.4
329.13937	6.0
343.15402	12.9
361.16476	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01853	2.2
57.03428	2.5
69.83366	11.7
77.03929	2.5
78.04715	2.8
79.05492	14.2
81.03397	2.3
81.07021	5.0
91.05491	33.0
93.03465	2.5
93.07058	20.5
95.04963	8.7
98.21442	2.5
103.05490	15.7
105.07066	16.4
106.04198	4.4
107.04965	38.8
107.08600	3.1
109.06519	2.5
109.10184	2.9
113.03314	2.1
115.05460	6.1
117.07018	7.0
118.22887	2.1
119.04945	6.3
120.05729	3.0
121.06525	18.0
122.03648	2.3
123.04432	7.9
124.05243	3.1
125.05978	2.1
128.06207	10.4
129.07016	31.6
131.04924	13.1
131.08563	10.2
133.02887	3.7
133.06497	8.4
135.04391	3.8
135.08049	7.7
137.06001	19.6
138.06760	3.4
145.06494	8.9
147.04401	8.9
147.08105	2.2
148.05177	3.8
149.05962	11.1
150.06754	3.8
151.03915	8.0
151.07556	22.6
152.04707	6.0
153.05501	16.6
153.06757	3.1
155.07079	3.1
157.06482	21.1
161.05995	42.6
161.09578	11.2
163.07565	25.9
165.05591	4.3
165.07024	11.3
165.09135	8.5
166.06305	11.0
166.07635	2.9
167.05669	4.0
167.07074	66.4
167.08557	6.6
169.10094	2.6
173.97636	2.0
174.06764	13.8
175.07507	9.6
177.05379	2.1
177.09131	9.5
179.06995	8.6
179.08519	4.4
180.07851	2.3
181.08604	100.0
181.10222	4.9
182.05669	2.3
182.07285	7.7
183.08049	4.9
187.07497	2.9
189.09126	91.3
191.06981	2.9
191.08600	5.5
191.10576	3.6
193.06435	6.1
193.08511	3.2
194.07266	5.8
195.08058	10.4
197.05965	4.3
197.09639	7.6
199.07524	2.5
203.10675	3.0
205.06570	2.6
207.08168	4.6
207.10159	17.6
208.08812	4.5
209.05934	3.4
210.06743	6.4
211.07536	4.6
211.11050	2.7
218.07100	3.0
219.08112	5.9
221.05957	6.4
222.06946	4.4
223.07527	9.9
223.11031	4.4
224.08252	3.2
225.05507	3.9
225.09166	17.1
227.07013	7.6
235.07584	4.3
236.08408	5.6
237.09030	5.5
238.06148	3.0
239.07063	7.4
239.10568	2.5
240.07907	6.9
241.08649	3.3
242.09273	2.8
247.07664	3.1
251.07008	6.8
251.10735	7.3
252.11482	2.5
253.08612	15.8
254.09381	3.0
255.06628	3.2
255.10034	3.9
257.11716	17.4
267.06647	2.3
267.10367	2.9
269.08099	6.9
270.08850	5.7
271.13159	2.9
279.10217	6.0
283.10101	11.4
283.12988	10.9
285.11218	34.0
299.09134	4.5
299.12793	6.1
302.11475	4.9
311.12671	6.2
315.12238	18.2
317.13818	17.9
329.13962	4.3
343.15207	8.3
361.16199	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77085	11.8
55.05501	38.3
67.05507	83.0
69.07069	18.6
69.13218	40.0
69.13634	83.2
71.05003	69.6
71.05318	12.1
74.63881	10.7
79.05495	100.0
81.07050	43.6
83.08622	14.9
91.05490	24.5
93.07034	62.6
95.08602	35.1
97.06528	17.7
97.10168	17.6
98.21544	22.7
105.07042	27.9
107.08601	65.2
107.47841	12.6
109.10170	68.4
119.08583	27.8
121.10144	82.2
125.09613	17.1
133.10069	15.5
144.60616	10.9
147.11719	13.9
149.09592	10.8
153.12778	49.4
155.10699	33.7
173.11761	62.7
189.11198	29.0
275.19977	31.6
363.19974	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	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54744	4.1
52.28917	4.2
53.75782	4.0
55.01876	6.9
59.80981	5.1
69.03405	5.5
70.06569	6.2
71.48833	6.4
71.86232	5.0
79.05491	12.4
79.08138	4.6
81.03419	4.9
85.02886	5.5
91.05450	11.1
93.07011	12.4
97.02901	7.1
107.04984	7.7
109.06555	4.4
119.32767	4.6
121.06525	23.9
139.07539	12.6
149.05885	7.9
151.03957	5.3
165.05328	4.3
167.07050	100.0
168.07274	5.3
171.42114	4.3
199.09662	38.1
361.13278	5.9
361.21237	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	360.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56369	8.2
53.03950	10.2
54.11694	7.6
55.01860	8.8
55.05500	32.6
57.03438	17.3
59.04982	10.1
66.14816	8.6
67.05518	64.1
69.03436	19.2
69.07074	72.2
70.92292	17.1
71.01347	15.5
71.04998	49.7
79.05495	70.5
81.03403	23.4
81.07073	74.3
83.04991	13.4
83.08627	18.7
84.02114	13.5
88.03978	11.6
91.05508	55.2
92.06225	9.1
92.46925	9.4
93.07066	45.5
95.04971	40.1
95.08601	20.9
97.06541	100.0
97.10112	11.1
105.07018	31.7
107.04942	10.8
107.08582	13.1
109.06500	13.7
115.07578	53.6
119.08554	18.7
121.06549	8.3
121.10146	13.5
123.11755	9.2
131.08588	18.1
133.10114	16.0
133.59036	8.0
135.11676	10.9
169.61023	9.4
194.12997	30.1
308.05249	8.5
332.26355	9.8
361.30759	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	15.7
55.01877	22.3
55.05497	45.8
57.03416	16.5
66.64126	9.8
67.05502	74.0
69.07072	100.0
71.01360	16.2
71.04977	10.8
72.99258	10.4
74.52436	9.7
79.05503	62.2
81.03410	34.2
81.07044	99.6
83.04993	33.8
83.08607	22.3
85.02886	10.5
85.49170	9.8
91.05460	48.4
93.07057	82.9
95.04954	39.2
95.08589	44.6
95.42434	9.1
97.02886	20.9
97.06529	27.8
97.88582	8.9
98.20705	23.2
105.06994	26.8
107.04960	20.4
107.08582	40.6
109.06493	35.8
109.10160	20.6
111.08049	10.8
117.06969	12.6
119.08550	35.7
121.10111	50.7
123.08035	24.2
123.11710	12.7
125.09598	14.6
131.08556	28.5
133.10129	29.9
135.08063	22.5
135.11717	20.0
137.09641	15.6
139.11180	22.0
149.09657	26.1
153.09103	26.1
157.10028	11.3
163.11234	14.2
167.10681	22.3
173.09560	14.6
173.25354	10.8
193.12260	41.9
228.90831	14.2
289.18005	61.0
307.19003	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	33.7
67.05502	86.3
67.23024	11.3
69.07064	30.6
69.38023	85.7
71.05005	55.8
76.18056	11.1
79.05498	91.7
81.07056	40.0
82.16218	10.0
83.08620	17.8
91.05483	16.6
93.07047	81.7
95.08617	34.8
97.10174	25.3
105.06976	14.6
107.08584	36.4
109.10144	40.4
119.08535	13.8
121.10139	76.4
125.09617	22.6
133.10129	13.7
133.89400	9.2
141.51120	11.8
153.12717	36.2
155.10626	21.5
173.11771	100.0
189.11266	18.9
230.51428	9.8
275.20053	38.4
295.55743	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	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
53.73646	0.7
62.69023	0.8
65.53366	0.8
69.16356	7.1
72.08151	1.9
77.03983	0.8
79.05477	0.9
81.03416	0.8
85.02902	2.9
86.09694	1.9
89.03923	1.0
91.05483	9.3
93.07016	1.4
95.04379	1.5
95.04974	29.0
97.02895	1.1
103.05466	3.2
107.04948	1.8
108.89812	0.8
109.06528	1.8
110.06063	0.9
117.03368	1.1
118.06540	5.8
119.04949	42.1
120.08111	55.9
121.06494	2.1
123.04436	65.6
127.03922	1.1
135.04419	2.9
136.07594	5.8
137.06033	1.0
139.86151	0.8
141.08977	0.7
145.02853	1.4
145.04945	1.5
146.05975	1.0
147.04428	23.7
156.40240	0.8
160.73265	0.7
163.03897	10.6
164.07082	43.4
165.05492	13.8
180.06578	1.1
181.04988	3.4
185.16615	0.9
194.40071	0.7
196.09697	47.2
197.31874	0.7
213.16066	0.8
217.49886	0.7
284.12833	4.9
328.11722	5.1
360.14417	100.0
361.14914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26212	6.9
53.03944	9.5
55.01867	17.5
55.05501	27.6
57.03447	11.7
66.97080	7.0
67.05505	65.3
69.03397	6.1
69.07065	67.2
71.01356	30.4
71.32824	7.1
71.33167	11.7
79.05495	58.7
81.03422	30.1
81.07063	100.0
83.04974	24.0
83.08612	21.3
85.02936	8.4
85.06517	7.6
91.05476	49.8
93.07047	64.2
95.04990	30.3
95.08620	35.4
97.02899	15.9
97.06544	32.4
97.10162	17.0
99.04453	9.1
99.08083	9.4
105.07028	22.2
107.04969	12.7
107.08598	26.1
109.06486	12.6
109.10148	28.5
111.08070	14.2
117.07030	9.0
119.08569	24.8
121.06484	11.2
121.10148	48.9
123.04440	11.1
123.08057	15.0
125.09547	10.3
128.06126	8.6
129.07045	7.4
131.08575	20.6
133.10107	22.4
135.04399	6.6
135.08046	23.7
135.11687	25.5
141.09113	11.1
145.10149	15.6
149.09648	17.2
151.07532	8.1
151.11136	13.9
153.09094	23.9
153.62605	6.7
159.08031	9.2
163.11154	13.0
165.09067	7.4
167.10675	18.4
173.09579	6.3
173.11693	13.9
177.09163	5.8
179.10696	11.1
179.59834	8.0
181.12247	8.9
193.12233	77.4
198.30101	6.0
208.71358	6.1
209.11754	26.0
249.30112	7.5
271.16849	13.4
289.18008	56.4
307.19003	31.8
325.20151	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03943	3.1
55.01877	2.2
59.62125	1.7
61.02908	3.1
61.78164	1.7
67.05478	2.5
69.03416	4.7
69.55659	9.4
71.05011	1.7
79.05497	2.1
81.03408	4.4
81.07073	2.3
81.18787	1.4
85.02915	23.8
87.04482	1.7
91.05478	6.9
91.42638	1.6
93.07056	9.2
95.04986	3.6
95.06085	1.9
97.02888	6.7
101.16742	1.6
103.05434	3.5
105.07024	9.5
107.04952	1.8
107.08625	19.3
109.02843	2.8
109.06549	2.9
109.10151	3.2
111.05531	4.3
119.04961	1.7
119.08591	2.1
120.04464	4.4
121.06497	2.1
126.06635	3.5
127.03954	12.3
131.04912	5.6
132.04460	25.7
133.10156	20.0
134.06003	5.2
135.11703	21.6
137.04680	2.5
137.05977	3.5
137.09616	2.0
145.04979	3.6
149.05991	1.7
151.03827	2.0
151.06195	11.1
158.06073	2.0
160.07513	1.7
161.09567	8.9
163.07591	1.7
164.07126	2.9
167.07014	1.9
179.07005	1.8
179.10683	31.3
194.06686	4.2
197.11745	88.0
198.12016	1.9
202.09785	2.5
242.09311	4.6
257.10278	4.6
259.11908	11.2
284.11377	7.7
302.12524	14.8
327.12109	5.8
345.13104	100.0
346.13364	3.0
359.15128	3.7
359.19519	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	359.1493
Annotation	Prestegane B
Peak:m/z	Relative Intensity
51.55372	2.8
53.03938	4.3
55.01871	6.8
62.79856	2.8
65.03938	3.9
66.04785	3.2
67.05491	8.2
69.03427	6.1
69.63541	18.8
70.06586	7.8
73.63365	3.1
79.05495	14.4
80.06283	3.3
81.07050	9.0
85.02911	5.4
86.06064	4.3
91.05493	61.0
93.07080	8.0
94.04198	5.1
95.04967	10.6
95.08598	4.1
97.02908	6.0
97.06528	3.1
98.20818	3.3
100.11272	4.6
102.04682	8.8
103.05477	31.4
105.07034	24.1
107.04969	20.8
108.05753	11.7
109.06508	13.3
111.04465	3.9
114.05476	3.4
115.05453	7.6
119.04958	45.1
121.06519	17.8
122.03667	8.1
123.04423	7.7
123.08073	17.4
123.11732	3.3
125.06033	7.8
127.03918	8.9
130.04185	18.6
131.04935	29.7
132.05681	4.2
133.02863	10.1
133.06512	17.4
135.04459	6.3
135.08072	6.6
136.05203	5.6
137.05994	100.0
138.06720	9.5
143.04938	3.9
143.37247	3.1
144.08060	5.1
145.06473	9.4
146.03632	3.7
147.04430	50.3
149.05983	36.3
150.06760	3.2
151.03911	16.5
151.06448	5.6
151.07559	58.9
153.05460	15.9
153.06981	4.5
159.04431	7.0
160.07562	4.3
161.06000	38.2
162.06773	65.7
163.03935	3.4
163.07582	40.5
163.19313	3.1
165.05510	7.1
165.06990	6.3
167.07079	17.9
167.08340	3.1
168.05762	3.3
169.08632	12.8
173.06056	5.7
175.07562	13.9
177.05492	25.8
178.06140	4.8
178.07651	3.7
179.07065	53.1
181.05055	4.0
181.06548	2.8
181.08603	13.1
182.15436	3.4
183.08255	3.3
187.07486	7.2
193.08655	6.5
196.13368	5.5
197.08102	18.1
197.09769	3.4
197.11768	6.3
202.07674	4.9
203.08586	5.7
205.06679	4.7
205.08528	6.3
206.07332	4.7
207.08090	6.1
209.07979	4.4
217.08568	4.5
218.07297	3.5
219.08055	7.2
220.08717	3.8
221.06114	4.5
221.09654	4.8
223.07544	3.4
225.09196	5.1
231.08076	4.4
235.07576	6.5
235.09644	6.9
238.06383	3.2
247.07564	4.8
249.09172	6.2
253.08563	7.5
256.74228	3.5
263.06833	5.0
263.10999	3.0
265.08713	3.3
266.09531	4.3
267.10159	4.2
276.95593	3.5
279.10065	6.2
281.08038	9.3
281.11630	7.5
295.09668	4.8
297.11066	4.1
299.12460	4.2
300.10181	4.3
309.11218	11.2
311.12735	7.9
313.10727	11.7
315.12375	4.1
323.19800	4.8
327.12292	93.6
341.13934	19.7
345.12521	3.9
359.14960	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
53.03940	3.3
55.01866	5.1
55.05501	4.8
57.03437	1.5
60.94777	1.4
61.40616	1.7
65.03933	5.7
67.05499	7.3
69.03416	6.0
69.07059	5.3
71.04980	2.2
71.50005	2.6
79.05484	5.3
81.03407	5.0
81.07063	10.7
83.04990	2.1
83.08602	2.5
85.02889	4.7
87.11431	1.7
89.85043	1.6
91.05489	9.7
93.03403	3.2
93.07045	6.4
95.04974	3.5
95.08617	9.2
96.20789	1.6
97.02895	2.8
97.06543	4.8
103.05441	2.4
105.03332	1.7
105.07021	7.6
107.04922	8.4
107.08595	2.9
109.02879	2.8
109.06611	2.2
109.10185	2.8
110.03656	7.3
111.04421	4.4
117.07048	2.0
119.04930	3.2
119.08589	4.9
121.02856	20.5
121.06513	2.9
121.10157	1.9
123.04395	3.4
123.08087	3.5
125.05984	6.5
127.03911	3.5
128.06172	2.4
129.06982	2.6
131.04950	3.6
131.08540	3.7
133.06523	3.2
133.10146	2.4
135.08075	4.6
137.05988	7.7
141.07002	3.9
144.05705	2.4
145.06479	6.2
147.08009	2.3
149.02376	3.8
149.05946	2.4
151.03850	3.1
151.07578	3.0
152.06232	4.0
153.05482	11.5
153.06900	2.7
154.07727	2.1
155.08585	2.3
157.10280	1.7
159.08067	7.8
161.05998	3.7
161.09613	4.1
161.13272	6.3
162.06744	2.6
165.07001	6.7
167.07039	9.1
167.08559	6.2
169.06569	3.5
173.06004	2.5
175.07616	3.6
176.06120	2.0
177.07002	2.3
178.07744	4.4
179.07062	2.1
179.08557	4.2
181.04976	22.7
181.06505	7.6
181.10126	2.3
182.07298	7.3
183.08064	3.9
184.05260	2.0
184.08975	2.3
185.09711	1.7
193.06454	2.6
194.07234	3.6
195.08041	15.3
196.05344	2.9
197.05992	7.8
197.09673	4.3
199.07713	3.7
203.08684	2.9
205.06552	2.1
206.07275	3.0
207.08051	3.9
209.06046	4.8
209.09674	5.9
210.06779	16.2
210.10344	2.1
211.07578	8.4
211.11247	2.5
212.08316	7.2
212.51608	1.8
213.09082	4.7
213.78746	1.8
220.08882	2.8
221.06097	3.1
221.09583	14.9
222.06818	4.1
222.10298	4.4
223.07536	19.6
223.11069	2.5
224.08337	8.3
225.05525	3.8
225.09039	10.9
226.06293	3.7
226.09767	2.2
227.07043	10.4
227.10559	3.5
233.06029	2.0
234.06773	4.7
235.07541	4.9
236.08289	3.7
237.05547	3.2
237.09100	12.9
238.06219	7.8
238.09906	12.7
239.07069	11.5
239.10699	5.6
240.07813	29.3
241.08583	6.9
242.05780	2.0
248.08562	2.0
249.08966	8.6
250.09860	3.5
251.07124	7.2
251.10687	2.8
252.07849	8.7
253.05980	3.9
253.08624	53.3
253.12259	18.2
254.09407	7.4
255.06526	9.6
255.10057	14.7
256.07278	2.1
257.07968	10.2
257.11880	1.9
265.08627	6.0
266.09418	10.4
267.06577	3.4
267.10156	8.6
268.07269	8.8
269.08029	16.9
270.08792	4.7
277.08591	3.1
280.27563	2.0
281.08557	14.4
281.11310	14.7
282.08835	4.2
283.06345	3.0
283.09634	24.6
284.10492	7.3
285.07492	4.9
285.11304	5.7
295.09711	5.5
297.07700	5.5
297.11154	4.6
298.08398	9.4
298.12057	5.4
299.09610	2.8
299.12796	17.6
300.09906	15.3
305.17419	2.8
309.11227	13.8
310.11887	3.9
311.09488	1.9
313.10715	75.6
313.14377	57.4
314.14810	2.5
315.12137	2.2
323.18463	4.6
326.11438	6.1
327.12296	84.4
328.13092	5.4
329.13293	2.2
331.15338	23.6
341.13821	47.5
341.20212	2.5
359.14935	100.0
360.14996	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
62.11604	2.1
65.03934	6.8
69.03417	3.1
69.42778	17.0
73.79553	1.8
75.06016	2.0
81.03410	2.5
82.04222	2.1
82.56835	2.3
82.62865	2.1
91.05483	5.6
93.03407	4.3
95.01324	2.7
95.04980	2.5
96.44897	2.0
107.04943	9.6
110.03642	6.2
110.46871	2.0
111.04446	4.4
118.16503	2.0
121.02885	22.0
121.06506	3.9
125.05967	9.2
128.06248	2.2
135.04410	2.1
135.08011	4.0
137.05959	3.3
144.05647	3.4
145.06468	4.1
149.02322	7.4
152.06157	3.5
153.05486	9.3
153.06937	3.1
155.05980	2.3
155.17068	2.3
159.08032	9.1
161.05943	4.5
161.09644	5.5
162.06750	3.0
165.07028	9.7
167.07014	6.5
167.08595	6.5
169.06429	4.5
177.06972	2.5
178.07756	7.6
179.08546	5.9
181.04953	28.3
181.06525	11.1
182.07277	8.3
183.07990	4.8
184.08826	2.4
191.08528	3.9
193.06453	2.6
194.07274	4.2
195.08014	14.4
196.08772	3.1
197.06004	9.2
197.09668	6.6
199.11259	2.8
202.07704	2.6
203.08536	2.9
205.06429	3.2
206.07256	4.9
207.08081	5.2
208.08859	2.5
209.06062	3.0
209.09618	5.3
210.06749	16.3
211.07504	14.2
212.08348	8.4
213.09048	3.7
219.08119	3.4
220.08795	3.2
221.06116	2.7
221.09558	13.2
222.06750	6.3
222.10468	3.8
223.07576	20.4
223.11102	3.9
224.04619	2.2
224.08354	9.6
225.05508	3.8
225.09053	13.9
226.09773	2.4
227.07074	7.9
227.10645	3.8
234.06760	4.1
235.07552	5.2
237.09132	14.9
238.06268	9.2
238.09856	14.5
239.07118	14.8
239.10698	5.6
240.07790	35.8
241.08492	5.1
249.09103	8.9
251.07079	9.7
251.10687	3.9
252.07816	9.0
253.04840	3.1
253.05771	3.3
253.08606	60.0
253.12230	23.9
254.09315	7.6
255.06517	6.8
255.10092	13.0
257.08151	11.9
263.06943	2.3
265.08572	9.7
266.09393	9.2
267.06506	4.6
267.10178	8.2
268.07297	9.3
269.08047	18.7
270.08798	8.7
271.13351	2.9
280.07285	3.0
281.08575	17.9
281.11688	17.5
282.08896	3.5
283.06137	5.9
283.09634	22.7
284.10373	9.3
285.07629	3.9
285.11197	3.2
285.14713	3.5
294.08929	2.3
295.09744	5.8
297.07538	6.7
297.10968	2.8
298.08435	11.2
298.12009	5.5
299.12750	20.8
300.09937	21.7
309.11227	15.4
310.12079	3.7
311.09439	2.8
313.10684	85.0
313.14352	53.8
314.11121	2.7
326.11407	5.1
327.12296	93.6
328.12805	7.0
331.15359	21.4
341.13861	43.8
359.14880	100.0
360.15179	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	359.1339
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03937	3.7
54.36124	3.3
55.38471	4.0
67.05491	3.1
71.04976	7.0
71.09093	8.2
79.05500	6.3
81.07066	4.3
85.02917	6.0
95.04979	5.7
97.02914	4.8
105.07095	3.9
107.04945	3.8
111.08091	14.6
127.02988	6.8
127.03926	100.0
133.06516	4.5
151.07602	5.9
179.07088	17.0
197.08121	68.4
199.58702	4.4
380.23203	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	359.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	0.8
69.03424	1.2
70.73858	1.7
70.74194	0.7
72.82078	0.7
79.05476	2.0
83.06104	1.4
85.02893	4.8
91.05465	2.1
93.07028	2.0
95.04950	1.1
95.06094	1.5
97.02881	1.5
98.41396	0.7
103.05490	1.8
104.05003	1.3
105.05762	1.5
105.07067	1.4
106.06558	0.8
107.08590	2.8
111.05583	4.4
120.04463	3.3
121.06438	0.7
123.05543	1.2
125.05910	1.0
126.06654	2.6
127.03910	2.0
130.06520	1.5
131.04958	2.1
132.04463	25.5
133.05193	0.8
133.10103	2.9
134.06017	5.9
135.11691	3.0
137.04680	3.0
137.05954	2.5
144.08177	0.7
145.36937	0.7
147.04445	0.8
151.04042	0.8
151.06163	12.8
156.95717	0.7
158.06058	1.2
160.07565	1.3
161.09656	2.3
164.07056	2.0
167.07109	1.2
168.10905	0.7
175.07602	0.9
177.04111	0.8
179.07104	0.7
179.10651	5.3
179.96147	0.7
194.06740	4.7
195.07521	1.1
197.11758	14.4
202.09825	2.3
214.09741	0.9
216.11264	0.9
217.09726	1.5
230.09253	1.6
232.10884	1.0
242.09251	4.5
245.09279	1.3
246.12479	1.1
257.10391	6.4
259.11935	10.7
263.09021	0.9
284.11475	8.2
302.12500	14.5
313.14258	0.9
317.12448	0.8
327.12149	6.2
327.15829	0.9
341.14023	0.7
345.13083	100.0
346.13321	2.0
359.14932	2.7
359.19812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0762
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
71.33408	0.4
71.33733	0.5
75.63380	0.4
94.15534	0.4
115.05440	0.4
128.06181	0.4
143.04973	0.4
145.06471	0.6
147.91881	0.3
155.04924	1.1
157.06496	0.9
171.04477	0.5
183.04436	1.4
184.05258	0.4
185.05974	1.7
187.03995	0.6
189.05518	0.6
197.06061	0.5
198.03210	0.7
199.03908	1.5
201.05499	1.1
202.02600	1.0
211.03934	1.5
213.01959	0.5
213.05486	2.8
214.02620	0.8
215.03468	0.5
217.04991	1.3
225.01895	0.4
226.02649	1.3
227.03426	2.2
229.05051	1.9
230.02119	1.2
235.93906	0.4
239.03441	0.5
240.04153	0.7
241.01357	2.4
241.04961	1.4
242.02121	1.2
245.04532	1.4
254.02100	0.9
255.02911	1.8
257.04550	2.7
258.01566	1.1
267.03064	0.6
269.00839	3.8
270.01611	4.9
271.02353	2.2
271.05820	0.4
272.03058	0.5
273.03943	3.9
282.01630	0.5
283.02179	1.9
284.03201	2.5
285.00702	0.6
285.03940	10.1
285.10837	0.5
286.01105	9.5
286.04086	0.7
287.01895	1.3
287.04990	0.5
288.06442	0.8
297.00305	2.0
298.01151	1.1
298.04504	0.8
299.01932	1.4
299.05554	2.8
300.02655	2.4
300.06281	1.2
301.00006	0.7
301.03403	7.8
303.05078	1.2
304.95792	0.5
311.01843	0.9
312.02676	0.7
313.03409	10.5
314.00684	0.6
314.04153	0.6
315.01495	0.8
315.05045	2.3
326.00537	2.2
326.04242	1.5
327.00977	0.4
327.04926	0.7
328.02542	0.6
328.05798	17.5
328.99597	0.5
329.02896	15.5
330.03763	1.3
343.00714	0.8
343.04501	5.5
344.01617	2.0
344.05276	25.9
345.05576	0.7
359.03961	9.0
359.07660	100.0
360.04166	0.4
360.08148	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0398
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
56.55616	0.4
69.26406	3.1
69.26808	0.6
79.87473	0.4
91.05476	0.5
115.36546	0.4
127.04016	0.4
137.06047	0.4
137.79520	0.5
144.02113	0.6
151.59392	0.4
158.03632	0.6
161.72078	0.4
174.03055	0.6
184.01703	0.5
186.03098	3.4
202.02623	0.8
209.48204	0.4
212.01027	0.7
214.02670	2.0
214.05840	0.4
217.05254	0.4
230.00058	0.4
230.02043	2.1
240.00471	2.5
241.01352	0.5
242.02136	5.1
243.02751	0.6
244.03664	0.7
245.00854	1.5
245.04326	0.5
254.02090	0.7
255.03038	1.0
257.00842	1.5
258.01550	2.3
269.01004	0.5
270.01593	16.1
270.08334	0.8
271.02383	3.0
272.03024	2.3
273.00357	0.8
273.03958	1.3
283.02426	0.6
285.00345	1.2
285.10837	1.0
286.01089	1.5
288.02551	0.5
295.99503	0.8
297.00262	4.7
298.01077	9.9
299.01700	0.9
300.02673	2.2
300.99802	4.9
301.03433	5.2
302.00534	1.0
312.99808	1.5
314.00626	1.2
315.01315	3.1
316.02109	0.6
326.00571	22.5
327.01022	1.2
328.01819	0.5
328.12985	0.7
328.99255	5.6
329.02975	5.8
329.99908	1.1
331.04373	0.5
343.00793	5.1
344.01642	23.8
344.12146	1.5
359.03970	100.0
360.04361	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	358.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76623	2.8
57.63865	2.6
66.77206	2.5
68.56664	2.7
69.03432	4.0
70.06598	6.1
70.59644	8.9
79.05508	6.0
80.05833	3.5
85.02945	3.6
86.09702	3.8
89.03918	14.6
90.04257	9.0
95.04984	8.2
97.02885	3.0
107.04947	9.3
109.06509	3.3
117.03396	11.8
118.03715	15.6
119.04018	2.8
122.26818	3.2
125.02303	3.0
135.04408	21.8
136.04755	25.9
137.04965	5.3
137.06013	6.9
145.02890	10.0
146.03201	13.9
147.03500	4.1
151.03885	5.5
151.07645	3.3
163.03912	80.2
164.04259	100.0
165.04468	54.1
166.04707	51.9
179.07018	3.3
190.08655	4.0
197.91740	2.6
321.88626	3.2
358.18814	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03934	4.6
55.01851	5.7
55.05512	77.9
55.64261	3.1
57.03440	15.8
57.07081	41.2
59.05001	3.5
63.48676	3.0
65.03940	3.5
67.05504	80.6
69.07068	94.5
70.06593	8.9
70.07388	3.5
71.04970	9.8
71.08622	24.6
71.49593	4.9
77.81146	3.4
79.05497	47.6
81.06606	6.7
81.07058	99.2
83.05000	3.1
83.08163	4.4
83.08618	63.7
85.06523	5.8
85.10163	14.4
88.07616	9.7
91.05476	12.2
93.06493	4.2
93.07047	66.9
95.08606	87.4
97.06542	35.4
97.10167	44.0
99.08080	4.1
101.07134	3.2
102.05527	4.1
102.09187	4.0
103.03905	6.9
105.07017	9.7
106.08665	5.5
107.08585	49.5
109.10162	45.2
111.08055	12.0
111.11723	12.5
117.07082	3.6
118.73631	3.3
119.08595	7.9
121.10133	100.0
123.11701	18.6
125.09593	7.8
125.13232	4.2
129.05492	4.5
130.57793	2.9
133.10146	4.3
135.11696	63.4
137.13264	9.0
139.11159	4.0
143.10602	3.1
143.14400	4.1
145.10150	6.8
149.13264	27.7
151.14775	11.9
163.14810	14.5
165.16377	11.3
177.16400	7.1
181.15953	4.4
191.17885	5.9
195.17137	3.1
195.53258	3.7
239.13243	3.3
239.42842	4.3
247.24214	65.0
265.25232	60.0
339.28928	41.8
339.34717	4.5
357.24130	6.4
357.30624	6.6
357.35538	97.1
358.36627	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01863	6.0
55.05509	1.6
65.03937	4.2
67.05503	4.1
69.03418	2.1
69.07072	1.5
69.39367	9.3
69.39783	2.1
78.04713	1.8
78.72227	1.4
79.05496	14.1
81.03397	2.8
81.07053	4.6
83.08636	1.3
91.04910	1.8
91.05483	34.7
93.07043	10.5
94.04201	3.6
95.04983	10.2
95.08625	2.0
103.05471	7.0
105.07041	5.3
106.16703	1.5
107.04964	30.3
107.08587	2.2
109.02864	1.5
109.06525	2.3
111.04475	1.9
115.05454	4.8
117.06977	2.6
119.04951	16.6
119.08608	1.7
120.05733	2.3
121.06523	16.8
121.10187	1.5
122.03644	7.5
123.04430	5.3
123.17947	1.5
124.05206	5.3
125.06004	2.9
128.06245	6.0
129.07028	1.8
131.04912	3.8
131.08578	2.1
133.02834	1.9
133.06506	2.1
133.10146	2.6
134.03534	1.5
135.04390	1.9
135.08069	2.1
136.05205	2.9
137.05983	100.0
138.06754	1.8
143.04906	2.1
143.08572	20.5
144.08047	4.4
145.06471	3.3
145.10146	5.9
147.04387	2.3
148.05182	2.0
149.05952	6.7
151.03917	13.0
151.07550	63.3
152.04709	2.1
155.08469	2.3
158.07272	4.7
159.08165	1.9
160.05179	1.9
161.06006	3.9
163.03964	3.2
165.05519	3.5
165.06973	1.9
165.09106	6.2
166.06255	10.4
167.07047	64.1
171.08051	23.0
173.05992	4.1
173.09619	9.9
175.07538	4.9
177.05464	3.2
179.08685	1.9
181.08606	93.9
188.08308	17.1
189.09003	2.4
194.07248	2.2
195.08389	1.6
195.10080	7.5
201.09073	15.9
203.06993	4.4
203.10680	68.2
206.07220	1.8
207.08134	1.7
209.09435	1.5
210.06750	1.9
211.07791	1.6
215.07150	3.5
218.07297	3.0
219.08104	6.3
221.05975	3.8
222.11220	2.9
233.06029	2.1
233.11790	7.9
235.07507	3.6
236.08302	2.4
237.09109	2.7
246.06816	2.4
247.07518	5.4
248.29066	1.5
249.05385	2.2
250.06029	2.0
252.07634	2.1
253.08589	2.8
261.09137	2.6
263.06952	3.3
264.07965	2.9
265.08441	3.5
267.10187	1.7
269.08011	1.7
277.08563	2.0
279.10162	4.2
289.08627	3.5
292.07208	2.3
293.08133	2.8
295.09732	4.0
297.11166	4.1
299.09140	2.4
299.12567	1.7
307.09634	11.5
309.11041	1.8
312.09875	2.2
313.10623	3.1
314.11475	1.8
321.11191	4.3
325.10583	5.6
325.14297	2.6
327.12198	7.4
329.13837	2.4
339.12164	4.4
345.93372	1.5
357.13226	23.5
357.17172	17.0
357.24237	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01859	4.5
55.05493	1.8
55.71554	1.0
60.12970	1.1
61.31914	1.2
65.03930	3.5
67.05492	4.7
69.03406	3.0
70.66261	2.1
70.66602	2.1
77.03888	1.2
78.04680	1.6
79.05497	14.8
80.65098	1.5
81.03413	3.0
81.07063	5.8
85.02901	1.7
89.03945	1.6
91.05482	36.5
93.03391	1.7
93.07052	15.1
94.04171	5.0
95.04986	8.3
97.02902	1.8
97.06516	1.5
103.05476	9.8
105.03343	1.2
105.04514	2.0
105.07051	6.8
106.04195	2.8
107.04961	26.0
107.08604	2.0
109.02853	1.4
109.06527	3.4
111.04440	1.4
115.05473	4.5
116.08146	1.2
117.03412	1.9
117.07037	2.8
119.04936	17.3
119.08549	1.7
120.05714	1.4
120.85571	1.1
121.06521	19.1
122.03666	9.4
123.04411	5.1
124.05199	5.5
125.05984	3.4
127.03965	1.6
128.06227	5.8
129.06979	2.6
130.07832	1.6
131.04916	4.8
131.08571	2.2
133.02873	2.9
133.06488	3.8
135.04405	2.7
135.07980	1.5
136.05200	3.2
137.05981	100.0
138.06708	1.2
139.07541	1.5
142.07761	1.5
143.04926	3.1
143.08553	22.2
144.08087	7.2
145.06490	4.9
145.08391	2.8
145.10117	5.1
146.03554	1.8
146.08713	1.4
147.04370	3.5
147.08098	1.8
148.05194	2.3
149.05959	9.8
151.03900	10.2
151.07552	54.6
152.04639	2.5
153.05402	3.0
155.08562	2.2
157.10085	1.3
158.07245	4.3
159.08034	2.5
160.05186	1.6
161.06007	8.5
163.03979	1.5
163.07597	2.0
165.05493	3.9
165.06914	2.3
165.09068	5.9
166.01256	1.2
166.06271	11.8
167.07050	65.0
171.04337	1.5
171.08061	22.8
172.08852	1.8
173.05945	5.5
173.09618	6.3
175.07527	5.0
177.05489	6.6
179.07085	1.4
181.08606	96.0
185.05927	1.9
187.07533	2.6
188.08324	25.9
189.07036	3.1
189.09097	2.7
190.07639	2.3
191.06979	1.8
191.08531	2.3
194.07275	2.2
195.08421	1.5
195.10150	7.5
201.09111	12.5
203.07314	6.4
203.10677	77.4
205.06488	3.6
205.08481	2.0
207.08051	4.2
209.09738	1.5
211.07729	1.5
215.07028	4.1
215.08928	1.4
217.06403	1.6
218.07278	5.3
219.08083	7.5
221.05893	2.1
222.06694	2.4
223.07611	2.4
225.09024	2.1
233.11670	5.3
234.06799	3.1
235.07512	4.5
236.08293	3.9
237.05405	2.0
237.09146	3.3
239.07025	3.1
241.08704	1.5
241.11087	1.3
246.06790	4.0
247.07480	7.4
248.07968	1.5
249.05511	1.7
249.09077	3.8
250.06296	1.9
251.06958	2.0
253.08604	3.4
254.09503	1.6
261.09113	5.1
263.06976	2.0
264.07785	5.1
265.08499	3.5
267.10190	2.3
268.07309	2.1
269.07993	2.7
269.12054	1.3
270.08987	1.4
274.06271	1.7
275.06943	2.3
277.08572	4.8
279.06689	1.3
279.10214	6.9
280.07257	1.6
281.08051	3.9
283.09610	3.5
289.08530	4.8
292.07236	1.5
293.08093	2.8
293.11536	1.3
294.08942	1.8
295.09668	3.8
297.11401	5.8
297.14374	1.4
299.09229	2.8
299.12506	1.7
306.08710	1.4
307.09683	13.2
308.10556	1.6
309.11304	3.8
313.10831	3.0
315.12411	1.4
321.11307	6.7
324.09659	1.7
325.10672	6.8
325.14139	2.4
327.12283	10.6
329.13824	3.3
339.12167	6.8
357.13223	21.7
357.17136	17.2
357.20117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01859	4.5
55.05493	1.8
55.71554	1.0
60.12970	1.1
61.31914	1.2
65.03930	3.5
67.05492	4.7
69.03406	3.0
70.66261	2.1
70.66602	2.1
77.03888	1.2
78.04680	1.6
79.05497	14.8
80.65098	1.5
81.03413	3.0
81.07063	5.8
85.02901	1.7
89.03945	1.6
91.05482	36.5
93.03391	1.7
93.07052	15.1
94.04171	5.0
95.04986	8.3
97.02902	1.8
97.06516	1.5
103.05476	9.8
105.03343	1.2
105.04514	2.0
105.07051	6.8
106.04195	2.8
107.04961	26.0
107.08604	2.0
109.02853	1.4
109.06527	3.4
111.04440	1.4
115.05473	4.5
116.08146	1.2
117.03412	1.9
117.07037	2.8
119.04936	17.3
119.08549	1.7
120.05714	1.4
120.85571	1.1
121.06521	19.1
122.03666	9.4
123.04411	5.1
124.05199	5.5
125.05984	3.4
127.03965	1.6
128.06227	5.8
129.06979	2.6
130.07832	1.6
131.04916	4.8
131.08571	2.2
133.02873	2.9
133.06488	3.8
135.04405	2.7
135.07980	1.5
136.05200	3.2
137.05981	100.0
138.06708	1.2
139.07541	1.5
142.07761	1.5
143.04926	3.1
143.08553	22.2
144.08087	7.2
145.06490	4.9
145.08391	2.8
145.10117	5.1
146.03554	1.8
146.08713	1.4
147.04370	3.5
147.08098	1.8
148.05194	2.3
149.05959	9.8
151.03900	10.2
151.07552	54.6
152.04639	2.5
153.05402	3.0
155.08562	2.2
157.10085	1.3
158.07245	4.3
159.08034	2.5
160.05186	1.6
161.06007	8.5
163.03979	1.5
163.07597	2.0
165.05493	3.9
165.06914	2.3
165.09068	5.9
166.01256	1.2
166.06271	11.8
167.07050	65.0
171.04337	1.5
171.08061	22.8
172.08852	1.8
173.05945	5.5
173.09618	6.3
175.07527	5.0
177.05489	6.6
179.07085	1.4
181.08606	96.0
185.05927	1.9
187.07533	2.6
188.08324	25.9
189.07036	3.1
189.09097	2.7
190.07639	2.3
191.06979	1.8
191.08531	2.3
194.07275	2.2
195.08421	1.5
195.10150	7.5
201.09111	12.5
203.07314	6.4
203.10677	77.4
205.06488	3.6
205.08481	2.0
207.08051	4.2
209.09738	1.5
211.07729	1.5
215.07028	4.1
215.08928	1.4
217.06403	1.6
218.07278	5.3
219.08083	7.5
221.05893	2.1
222.06694	2.4
223.07611	2.4
225.09024	2.1
233.11670	5.3
234.06799	3.1
235.07512	4.5
236.08293	3.9
237.05405	2.0
237.09146	3.3
239.07025	3.1
241.08704	1.5
241.11087	1.3
246.06790	4.0
247.07480	7.4
248.07968	1.5
249.05511	1.7
249.09077	3.8
250.06296	1.9
251.06958	2.0
253.08604	3.4
254.09503	1.6
261.09113	5.1
263.06976	2.0
264.07785	5.1
265.08499	3.5
267.10190	2.3
268.07309	2.1
269.07993	2.7
269.12054	1.3
270.08987	1.4
274.06271	1.7
275.06943	2.3
277.08572	4.8
279.06689	1.3
279.10214	6.9
280.07257	1.6
281.08051	3.9
283.09610	3.5
289.08530	4.8
292.07236	1.5
293.08093	2.8
293.11536	1.3
294.08942	1.8
295.09668	3.8
297.11401	5.8
297.14374	1.4
299.09229	2.8
299.12506	1.7
306.08710	1.4
307.09683	13.2
308.10556	1.6
309.11304	3.8
313.10831	3.0
315.12411	1.4
321.11307	6.7
324.09659	1.7
325.10672	6.8
325.14139	2.4
327.12283	10.6
329.13824	3.3
339.12167	6.8
357.13223	21.7
357.17136	17.2
357.20117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03957	1.6
55.01888	1.1
58.64036	0.8
61.83542	0.8
63.54313	0.9
65.03941	1.2
69.03419	1.4
79.05499	2.9
81.07063	1.2
85.02911	1.5
90.24847	0.8
91.05493	4.0
91.58774	0.8
93.07047	1.0
94.04194	2.5
95.04976	18.0
97.02892	0.9
103.05470	4.3
105.03340	1.0
105.07027	2.0
106.04163	2.0
107.04971	10.2
109.02883	3.2
109.06553	0.8
115.05455	2.4
116.86309	0.8
117.07043	1.2
119.04913	1.7
121.06514	4.5
122.03668	6.4
123.04424	4.1
125.02365	1.7
125.05991	2.1
127.03938	1.1
131.04936	2.1
133.02892	1.9
133.06490	4.2
135.04427	1.8
137.05992	100.0
143.04927	6.1
144.08125	2.3
145.06419	0.9
147.04459	1.6
149.06001	9.7
151.03929	40.2
151.05035	1.4
152.04268	1.1
153.05461	2.9
158.57095	0.8
161.05957	4.5
165.05568	1.0
167.07091	1.4
175.07649	1.8
177.05490	9.3
187.07526	1.1
195.06557	3.8
203.07071	2.0
205.08710	2.2
223.12291	2.7
239.70020	1.0
307.09552	1.0
310.62741	0.8
321.11377	0.9
322.03806	0.8
327.12311	12.7
357.09018	1.7
357.13397	21.2
357.18158	3.2
358.13580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
53.03930	3.9
55.01851	3.3
58.56131	2.7
58.82859	2.7
61.94026	3.1
70.13287	7.7
70.13666	4.9
78.04716	3.3
78.08324	2.5
79.05501	17.2
91.05467	19.1
93.07054	3.5
95.04951	10.4
98.20722	3.8
103.05465	13.6
105.03397	6.6
105.07024	32.5
106.04185	34.5
107.04961	17.8
115.05436	10.7
117.03376	6.9
118.04156	8.6
119.04941	17.6
121.06513	17.1
122.03652	6.1
127.44426	2.8
129.06964	3.4
130.04111	6.9
131.04950	15.7
133.02835	13.6
133.06505	62.2
135.04395	6.9
137.05983	66.2
144.05635	3.6
144.08069	12.2
145.06480	4.6
147.04420	31.7
149.05980	97.9
150.06642	5.1
151.03926	16.4
151.07610	5.9
153.05476	12.3
159.08057	6.9
161.05994	60.4
162.06764	15.5
163.03882	8.2
163.07570	7.1
165.05522	5.2
167.07028	9.1
175.07527	5.1
177.05478	100.0
178.06111	3.0
179.07013	12.5
187.07565	9.3
191.08632	3.0
195.06473	3.5
203.07028	8.2
211.27971	3.4
215.07033	10.5
219.08012	3.3
227.06918	2.9
233.07907	3.8
243.06519	4.8
247.07570	4.8
260.12476	3.0
261.08987	3.0
265.08517	3.8
286.08374	7.4
289.08191	3.7
295.09695	3.8
297.11166	3.4
307.09610	11.9
321.11404	3.3
325.10599	12.1
327.12195	10.7
339.12292	14.4
357.13327	22.4
357.18121	8.8
358.07336	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	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03934	1.7
53.47114	1.5
53.77656	1.6
55.01678	1.7
55.01882	19.7
55.05514	4.4
64.47815	1.5
65.03944	4.6
67.05501	6.0
69.03439	4.3
69.07061	7.7
69.38927	11.4
71.91129	1.5
77.03924	1.8
79.05503	13.5
81.03410	5.8
81.07063	9.4
83.05030	1.9
85.02908	5.2
85.06530	2.4
89.03900	1.8
91.05487	14.1
93.03381	2.6
93.07035	11.4
94.04192	8.2
95.04965	6.0
95.08625	8.1
95.39154	1.6
97.02882	3.3
97.06522	2.7
98.21555	1.6
99.08088	5.8
102.04729	1.7
103.05468	9.8
105.03371	2.2
105.07042	9.8
107.04970	11.7
107.08600	5.3
109.02896	3.7
109.06509	6.6
109.10181	3.1
111.04410	3.8
111.11721	4.3
112.32837	1.5
115.05457	9.0
117.03387	3.8
117.07014	3.4
119.04934	4.3
119.08571	2.2
121.06512	5.7
121.10154	7.2
122.03672	16.3
123.04462	3.0
123.11728	2.5
125.05998	4.9
127.03954	2.6
128.06227	2.8
130.04179	2.8
131.04974	8.4
131.08553	3.0
133.06497	3.5
133.10121	4.3
135.04393	3.2
135.08008	2.2
137.05992	100.0
138.06337	2.2
139.11139	1.9
143.04951	6.2
143.08575	3.0
144.05626	2.3
144.08133	4.0
145.02841	4.1
145.06519	3.1
145.08440	3.3
145.10153	1.9
146.03615	5.6
146.08669	1.9
147.04402	7.4
149.05983	7.5
149.13335	2.9
151.03935	8.2
151.07530	6.2
153.05460	5.0
154.38254	2.0
155.04921	5.6
157.06525	2.5
159.08022	2.3
160.05199	2.5
161.05991	23.8
162.06787	4.8
163.07527	5.0
163.14865	2.2
165.05527	31.9
165.06944	5.5
167.07088	11.7
171.04419	4.8
172.05202	3.0
175.07562	7.7
177.05496	14.0
177.16367	3.0
178.07878	3.5
179.07083	2.8
179.08566	4.7
180.09410	2.2
181.06500	4.0
181.08629	9.5
183.04459	3.2
185.06017	2.2
187.07518	8.6
189.06976	10.7
190.07753	15.7
191.08545	17.7
193.06526	2.5
194.07205	3.2
195.08295	2.5
195.10167	8.0
201.07095	2.7
202.07712	4.8
203.06982	8.2
203.08797	2.2
203.10657	6.1
205.06525	8.9
206.07236	4.8
207.08069	10.1
208.08836	6.2
209.06001	2.3
210.06746	4.3
211.07471	2.6
215.07018	10.0
217.06519	4.1
218.07294	21.3
219.08081	33.7
219.10187	3.5
220.08755	4.3
221.06032	6.9
221.09680	2.0
222.06752	3.8
223.07619	2.3
224.08321	2.2
225.09073	4.3
229.06531	7.4
231.08116	3.7
233.06033	2.8
233.09686	3.3
233.11766	2.2
234.06735	10.3
235.07523	19.1
236.04680	2.3
236.08385	11.3
237.09230	3.6
239.07166	2.9
245.06061	2.9
246.06799	20.7
247.07539	36.8
248.08324	7.8
249.05568	2.2
249.09087	14.5
250.06352	3.5
250.09845	4.2
251.07094	4.4
251.10687	4.7
252.07860	4.0
253.08517	5.6
257.06000	8.8
258.06818	2.7
259.07507	5.0
260.08026	2.0
261.09143	32.9
262.06271	5.0
263.07059	15.9
264.07837	16.8
265.08551	8.8
266.09360	2.9
267.10199	4.1
268.07425	2.1
274.06265	12.7
275.07092	14.4
276.07959	3.4
277.08624	23.2
278.09335	5.1
279.06741	3.0
279.10178	18.6
281.08246	1.9
283.09683	3.9
289.08582	41.1
289.11609	3.3
290.09235	6.0
291.06458	5.6
292.07324	4.1
293.08041	4.8
293.11511	4.2
294.08908	6.1
295.09741	9.6
296.10318	2.1
297.11234	5.8
306.08875	13.3
307.09665	78.0
308.10266	6.4
309.07599	5.0
309.11197	17.7
321.11227	52.7
324.09857	3.5
325.10794	8.9
326.11374	2.4
327.12265	19.5
329.13989	2.4
339.12286	34.8
357.13376	23.5
357.17432	2.7
357.23297	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	357.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
53.54465	0.6
55.01859	1.3
57.61794	0.6
67.05505	1.5
69.03427	1.0
69.51527	1.1
69.51943	4.2
77.03925	0.7
79.05489	3.0
81.03413	1.6
85.02906	1.8
91.05492	2.0
93.07054	2.0
94.04171	2.1
95.04967	16.3
97.02884	1.5
103.05457	1.7
105.04515	0.9
105.07034	1.7
106.04192	1.4
106.72038	0.7
107.04956	12.1
109.02885	4.3
109.06516	1.5
115.05466	2.2
117.07031	1.1
121.06512	3.6
122.03648	6.6
123.04427	3.9
125.02379	1.7
125.06004	2.0
127.03872	0.7
131.04961	1.5
133.02858	0.8
133.06487	2.6
135.04424	1.8
137.05984	100.0
143.04916	6.6
144.08078	2.3
147.04358	1.3
149.05991	7.2
151.03915	42.8
151.04979	2.0
153.05489	3.7
157.17987	0.8
161.05977	2.3
172.20459	0.8
175.07545	1.5
177.05469	7.8
189.32870	0.8
195.06514	4.3
203.07030	2.2
205.08563	2.3
205.12257	0.8
222.74443	0.9
223.12366	2.0
327.12277	11.8
339.12369	1.1
357.13428	17.6
357.18124	1.9
358.13513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1182
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02373	2.2
51.90490	1.6
53.03950	6.8
55.01869	2.3
55.66426	1.3
65.03935	2.5
67.05515	4.3
68.57237	1.2
69.03432	11.5
69.07048	1.5
71.01341	4.1
71.04987	2.3
79.05495	12.2
81.03433	8.7
81.07047	5.3
83.04967	1.6
85.02918	10.7
91.05483	8.4
93.07040	6.2
94.04173	3.6
95.04378	3.2
95.04972	49.6
97.02914	13.2
97.06523	1.5
98.20762	4.7
99.04462	2.0
103.05457	6.1
105.03381	1.8
105.04510	1.9
105.07034	3.5
107.04962	54.6
108.08104	3.9
109.02885	28.1
109.06516	8.7
109.08494	2.1
115.05418	4.6
117.07066	1.3
118.97423	1.5
119.04942	2.1
121.06515	8.5
122.03659	8.4
123.04448	14.1
125.02362	26.5
125.05995	5.2
127.03894	8.1
131.04945	4.3
133.02852	5.0
133.06461	2.0
135.04437	18.8
137.05986	100.0
143.04936	6.1
144.08093	23.8
145.08473	8.2
146.08768	4.9
147.04491	2.0
149.05977	20.1
151.03915	87.8
153.05458	7.7
159.04434	2.0
160.07553	1.7
161.05945	1.8
167.07043	5.0
175.07591	2.7
177.05482	25.7
191.06984	2.6
191.08549	2.1
195.06535	19.4
203.07072	4.2
205.08568	3.6
211.07700	1.9
219.08018	1.7
220.98126	1.4
221.06145	2.2
233.06078	1.4
235.07358	2.0
247.07520	2.2
253.15953	2.0
263.07062	1.9
265.08536	2.3
279.10034	2.2
283.09882	2.5
295.07983	3.1
297.11261	2.8
307.09717	3.5
311.09241	2.2
321.09753	2.4
325.10760	6.0
327.12341	15.9
339.11102	4.2
339.17032	3.9
357.13571	31.1
357.21365	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3521
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
54.08673	0.3
55.05516	8.4
55.51178	0.3
57.07075	1.9
58.06585	0.7
62.06084	0.4
67.47610	0.3
69.07068	7.5
70.06589	12.1
71.08618	0.7
71.23006	0.5
74.17828	0.3
83.08619	3.4
88.07630	15.6
97.10172	1.7
102.09185	3.6
106.07954	0.4
106.08669	7.8
106.94778	0.3
247.76790	0.3
270.01184	0.4
283.51743	0.3
312.32516	1.1
338.34134	5.9
356.35220	100.0
357.35464	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.118
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.02391	2.1
53.03944	8.3
54.07769	1.7
67.05505	3.5
69.03435	4.5
69.53046	6.5
69.53484	7.1
79.05508	5.7
80.00226	1.8
81.07075	2.3
85.02915	5.3
91.05494	5.8
93.07060	5.9
95.04971	51.7
97.02883	4.1
98.21508	3.0
103.05477	7.6
105.04539	2.3
105.07027	4.3
107.04952	38.2
109.02882	15.3
109.06505	3.5
121.06471	14.5
123.04450	12.8
125.02383	9.1
125.06011	7.7
127.03894	2.3
131.04976	3.1
133.06470	4.1
135.04376	4.5
135.08167	2.0
137.05989	17.5
144.08105	5.5
147.04529	2.0
149.05983	23.5
151.03911	100.0
153.05464	13.7
161.06071	2.6
163.03896	2.3
167.07028	3.7
177.05490	22.1
178.06210	2.6
183.01137	2.1
195.06496	14.4
223.12338	3.2
251.06941	2.0
300.70239	1.9
357.13495	4.1
357.18460	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	356.205
Annotation	(E)-2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-1-[(methylthio)methyl]-4(1H)-quinolinone
Peak:m/z	Relative Intensity
64.17822	0.5
70.68234	0.9
70.68539	0.5
73.65328	0.4
79.05486	1.3
80.05846	0.5
81.07058	0.7
86.92522	0.5
91.05486	1.5
92.05838	0.7
93.05788	0.4
93.07048	1.6
96.08955	0.6
105.07042	1.0
106.06549	1.1
106.07286	0.5
107.06900	1.0
108.05283	0.5
108.08125	14.8
108.08878	0.8
109.06524	0.6
109.08450	6.8
110.06848	0.6
110.09679	0.5
115.05527	0.6
116.05773	0.5
117.07024	3.8
118.06565	0.8
118.07353	1.8
119.08582	0.6
120.08092	0.6
122.09674	1.0
123.10005	0.8
124.07634	0.7
127.57164	0.4
129.07060	1.1
130.06519	3.8
130.07356	0.8
131.06876	2.0
132.07584	0.6
133.06522	0.6
133.08401	0.7
134.06847	1.1
137.06035	0.7
140.23233	0.5
143.07307	2.1
143.08369	0.6
144.08090	54.1
145.08438	44.3
145.09651	0.8
147.10049	0.7
150.09135	0.8
156.06418	0.6
156.08028	1.8
157.08485	1.9
158.09633	2.6
159.10074	2.5
167.07153	0.7
168.08081	0.6
169.08568	2.2
170.09769	2.7
171.10068	2.4
173.11542	0.8
175.63683	0.5
180.08165	0.7
181.08525	1.5
182.09401	0.9
183.10117	0.7
184.09496	0.7
194.09486	0.7
195.09998	1.3
196.10887	0.8
197.11758	1.0
205.08548	1.4
206.09428	1.5
207.10081	2.0
207.12111	0.6
208.11034	1.1
209.11615	1.9
211.11549	0.6
212.12801	4.4
213.13182	3.6
218.09286	0.7
219.10344	1.0
220.10893	2.1
221.11519	3.9
222.12666	1.4
223.13132	2.2
224.10844	0.6
224.12727	3.2
225.13046	2.9
226.14128	0.9
229.87502	0.5
232.10706	0.8
233.11670	0.7
234.12639	1.8
235.13153	5.3
236.14038	1.0
240.82552	0.6
248.10327	0.8
248.14378	0.6
249.11118	0.5
249.14687	1.4
249.80421	0.6
250.47990	0.5
251.15466	1.8
252.15759	7.5
263.12711	0.6
265.14203	0.8
277.14139	1.1
295.15237	1.0
306.16742	0.6
309.16769	1.7
313.16226	1.5
325.16141	0.8
327.17621	2.9
338.19485	2.0
339.14069	1.3
339.17868	4.0
356.20520	100.0
357.20798	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
54.13190	3.1
55.01848	3.2
55.05514	35.2
57.03432	11.8
57.07084	17.2
67.05510	73.6
69.07070	45.3
71.04970	4.3
71.08633	9.4
71.49166	3.4
71.49574	3.5
74.59667	3.1
78.97141	2.8
79.05505	29.0
81.03423	5.8
81.07065	100.0
83.04974	5.4
83.08621	30.8
85.06517	3.5
91.05450	24.4
93.07040	38.6
95.08614	72.7
97.06532	10.6
97.10184	17.3
99.08100	5.3
105.07025	25.0
107.08592	24.8
109.06516	4.0
109.10165	36.9
111.08089	6.3
111.11712	8.0
113.09603	3.4
119.08595	21.0
121.10143	25.3
123.11716	21.8
125.09650	4.0
129.05501	7.3
131.08568	4.8
133.10139	20.3
135.04398	3.8
135.11687	18.7
137.13254	12.0
144.08084	12.4
144.96072	3.4
145.02794	4.3
147.11702	16.9
149.13281	10.9
151.14767	5.2
152.23802	3.1
157.10150	3.9
161.13272	14.6
163.03964	20.9
163.14857	11.6
165.12772	4.1
165.16391	3.6
175.14828	13.4
189.16339	8.4
245.22656	47.1
263.23666	48.8
285.00592	3.9
316.59006	2.9
337.27542	28.5
341.53696	3.3
355.19360	10.3
355.28641	34.6
356.35126	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01869	2.0
55.05514	74.3
57.03434	25.4
57.07074	9.6
58.03165	1.6
65.03941	2.3
67.05507	73.8
68.05833	3.0
69.03439	2.5
69.07070	83.9
69.42838	12.8
70.06599	4.0
71.04990	6.8
71.08619	4.7
73.06545	1.8
75.04462	2.1
78.81984	1.8
79.05497	27.5
79.28251	1.6
81.03400	3.2
81.07059	100.0
82.07407	2.2
83.04990	3.4
83.08620	54.8
85.06520	3.7
85.10159	3.1
88.07635	3.0
91.05441	17.4
91.66252	1.6
92.88416	1.7
93.07048	36.2
95.04996	4.3
95.08609	80.8
97.06532	11.4
97.10179	33.8
98.20789	3.9
99.08087	3.3
100.31705	1.6
105.07032	17.8
106.08617	2.1
107.04957	3.1
107.08605	19.7
109.06502	2.9
109.10161	35.8
111.08080	5.0
111.11726	8.6
115.07594	1.7
117.03379	2.3
117.06978	2.6
119.08553	9.4
121.10150	22.0
123.08002	2.5
123.11695	15.1
125.09642	4.0
125.13268	2.1
131.08553	2.1
133.10149	12.6
135.04414	6.9
135.11714	16.2
137.05904	1.9
137.09616	2.3
137.13292	3.0
139.11185	3.7
143.08620	2.0
144.08102	6.8
145.08455	3.8
146.08759	2.3
147.11716	9.2
149.13228	10.4
150.06789	4.7
151.07553	18.9
151.11195	5.3
161.13284	6.3
163.03922	29.5
163.14835	8.3
165.09122	24.8
165.12704	3.1
167.14348	2.5
173.09679	2.1
175.14798	4.8
179.10652	2.4
179.14291	1.7
181.15842	1.6
187.07509	2.6
202.09906	4.6
211.50369	1.6
217.12241	12.0
245.22795	3.6
260.27606	1.7
263.23734	11.2
281.24854	2.4
285.01031	3.5
302.32535	1.6
311.88858	1.8
337.27466	10.6
355.08099	2.1
355.15430	5.2
355.19296	7.9
355.28421	87.3
355.33932	38.6
355.38278	3.0
356.29025	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03940	4.3
55.05513	41.3
57.03440	12.6
57.07076	12.4
61.79586	2.6
65.03928	3.6
67.05508	82.0
69.06732	3.7
69.07073	46.1
69.41528	5.2
69.41928	18.1
70.06604	6.0
71.04980	3.1
71.08629	8.6
73.04764	6.1
79.05080	2.7
79.05498	30.9
81.03418	4.3
81.07059	100.0
83.04993	4.3
83.08625	29.1
85.06526	2.7
85.10178	3.3
88.07626	6.0
91.05458	23.9
93.07047	35.5
95.08610	80.9
97.06540	9.1
97.10165	21.7
99.08108	3.6
103.04022	3.2
105.07029	15.0
106.08665	4.4
107.04954	4.5
107.08580	22.4
109.10165	49.5
111.08119	5.9
111.11743	6.7
119.08579	23.5
121.10150	28.9
123.08064	3.2
123.11712	24.8
127.11253	2.6
131.08560	4.9
133.10132	23.9
135.04434	3.1
135.11702	14.3
137.02411	2.7
137.13275	9.5
144.08122	12.6
145.02797	3.2
145.08426	5.5
145.10167	2.8
147.11716	13.4
149.13260	10.0
151.11235	3.7
151.14812	6.0
153.12761	4.0
160.03384	2.6
161.13222	17.2
163.03940	22.0
163.14821	13.9
165.16403	6.6
175.14854	10.4
177.16373	3.7
179.18018	4.9
179.99895	2.8
183.11870	2.8
189.16380	6.2
201.09006	3.0
245.20326	4.6
245.22649	39.6
263.23734	48.0
299.76044	2.4
309.25620	2.8
337.27457	25.1
355.15433	5.1
355.19431	5.1
355.25540	3.1
355.28574	8.6
355.33640	4.8
356.35220	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03939	2.7
55.01864	3.4
55.05515	46.9
57.03445	14.6
57.07082	13.6
65.03921	3.9
67.05506	86.4
69.07074	61.9
70.06584	4.6
71.04999	5.4
71.06922	2.7
71.08624	6.9
72.61124	2.3
73.04754	2.9
77.05954	2.3
77.34053	2.6
79.05498	31.1
81.07057	100.0
81.07534	5.4
83.04976	3.6
83.08623	43.7
85.06541	5.5
88.07629	9.0
89.07976	4.0
91.05458	24.9
93.07047	40.3
93.15924	2.3
95.08609	88.5
97.06538	11.0
97.10182	25.5
98.20907	11.4
105.07031	19.1
107.04961	4.0
107.08575	28.5
109.06525	3.6
109.09408	3.0
109.10154	42.7
111.08075	6.3
111.11711	8.0
113.09657	2.3
119.08584	19.8
121.10145	29.5
123.11708	23.6
129.12119	2.4
133.10110	26.3
135.11673	17.9
137.09624	3.4
137.13208	8.2
139.11179	2.4
144.08061	3.5
145.08438	4.3
145.10135	3.9
147.11711	14.6
149.13280	16.2
151.11217	4.3
151.14796	7.6
151.25836	2.6
157.10054	3.9
161.13257	12.7
163.03865	15.5
163.14813	13.9
165.16396	6.8
175.14835	11.1
177.16367	2.8
179.14410	4.1
189.16391	6.9
193.15941	3.3
195.13791	3.1
220.62881	2.6
236.09921	2.5
245.22682	30.8
263.23724	49.2
273.41995	2.4
277.21478	3.0
285.40430	2.3
295.22574	2.4
309.25687	2.9
333.17584	3.8
337.27380	23.6
337.33142	3.7
355.15320	4.3
355.19589	4.2
355.28415	15.6
355.33994	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01868	2.3
55.05511	2.7
57.03437	1.3
61.01142	1.4
65.03928	1.6
67.05515	7.3
69.03451	8.1
69.07060	3.8
71.04976	2.4
71.49444	2.2
73.04756	3.2
73.47256	1.3
74.30367	1.4
76.78530	1.5
79.05493	5.8
81.03441	2.8
81.07047	6.4
83.04990	9.3
85.02893	5.1
86.00648	3.6
89.03915	8.6
91.05456	4.2
93.07032	3.9
95.04996	7.1
95.08598	6.1
97.02865	1.7
99.04438	2.1
103.05433	2.2
105.07006	4.7
106.06555	4.9
107.04972	9.1
107.08599	4.0
109.02904	1.9
109.06528	2.6
109.10155	8.5
111.04436	2.5
115.05447	2.2
116.01684	4.9
117.03378	8.6
118.06529	5.4
119.08562	6.1
120.08103	5.2
121.06520	2.6
121.10117	3.5
123.04434	1.6
123.08108	1.4
123.11697	1.7
125.02367	8.4
127.03913	4.9
129.07010	1.7
130.06548	3.0
133.06517	2.0
133.10147	3.8
135.04431	18.9
135.08049	3.2
135.11707	3.5
137.05974	20.1
137.09648	15.3
141.04861	1.4
141.06876	1.5
144.01172	1.8
144.08133	4.1
145.02847	14.1
145.06509	2.1
145.10104	3.2
146.05997	1.9
147.04419	1.5
148.03932	1.6
148.07559	3.2
149.05945	3.5
151.03885	2.3
158.07242	1.5
160.07590	5.7
161.06027	1.7
161.09624	1.7
163.03917	100.0
164.07082	2.9
167.07056	7.4
169.06125	7.9
175.07545	1.7
175.09872	2.4
175.14830	6.3
176.07030	2.1
193.04984	79.6
193.15887	6.6
196.09709	3.4
201.09155	3.5
215.04855	20.5
220.08894	1.8
231.08170	2.6
231.10225	4.3
239.06874	2.3
248.08313	3.6
249.13849	1.7
252.07579	5.9
263.10657	2.4
265.08542	2.3
267.08057	2.4
277.13419	12.4
280.07431	2.0
285.00967	2.9
285.07556	2.9
291.10123	2.4
294.08875	1.7
295.14221	4.1
298.08322	2.1
300.09918	1.5
313.07489	2.4
313.10699	10.6
323.12982	4.9
325.10553	2.3
337.08478	2.9
340.13037	3.8
355.09491	29.5
355.16125	32.4
355.21158	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2018
Annotation	Epivincamine
Peak:m/z	Relative Intensity
70.83276	1.6
72.63138	0.5
75.20638	0.6
79.05509	1.1
81.07055	0.6
82.06566	0.7
91.05511	1.1
92.51614	0.6
93.05806	0.7
93.07074	1.1
101.78921	0.6
103.05468	0.8
106.06554	2.0
107.08589	0.8
108.08131	27.3
109.06518	0.8
109.61323	0.6
115.05441	1.1
117.07040	5.3
119.08619	0.6
120.08134	2.0
121.08878	1.1
122.09669	1.7
124.07610	0.6
129.07028	0.7
130.06555	4.1
131.68542	0.6
132.05763	0.7
132.08054	1.0
133.06422	0.7
134.09669	0.8
139.07611	0.6
143.07347	3.7
144.08101	100.0
145.06596	0.8
145.08430	1.2
146.09648	0.9
155.06119	1.4
156.08073	1.3
158.09714	3.3
162.09088	0.8
163.03963	1.0
164.79073	0.6
165.09151	0.8
167.07298	0.6
168.08186	0.8
169.08737	1.3
170.09644	2.5
180.08087	0.8
182.09705	1.2
193.08810	1.0
193.78163	0.6
194.09715	1.1
204.08070	0.6
205.08861	1.1
206.09720	1.1
207.10390	1.1
208.11279	1.7
212.12822	7.8
212.17200	0.6
218.09628	1.0
219.10454	1.9
220.11285	1.8
222.12776	2.0
224.12737	6.3
232.11288	0.8
234.12854	3.9
235.13551	2.2
236.14391	0.6
240.73941	0.6
248.14352	0.9
251.15477	10.7
252.16042	0.6
264.13879	1.1
276.13837	1.8
308.16522	0.7
312.16055	0.6
326.17529	1.0
337.19153	0.9
338.17514	2.9
355.20200	86.8
356.20532	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.173
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05494	0.7
70.06587	0.5
73.04745	0.6
81.03445	0.5
82.72592	0.5
83.08638	0.4
84.66978	0.5
89.03906	0.8
100.07638	0.5
100.11268	0.8
106.06571	0.5
106.87515	0.4
107.04960	1.1
111.04485	0.4
117.03378	0.9
120.08114	0.6
135.04451	1.8
137.05972	1.7
144.08145	2.3
145.02876	1.4
151.03867	0.6
163.03912	10.5
167.06987	0.9
176.10748	0.7
182.15416	1.8
197.85973	0.5
201.03725	4.2
203.05293	1.7
210.14920	2.7
228.15901	0.8
277.13242	1.0
295.14447	0.6
337.21158	0.7
355.17288	100.0
356.17545	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2019
Annotation	Yohimbine
Peak:m/z	Relative Intensity
53.77292	0.8
59.55073	0.5
60.93258	0.5
67.05492	0.8
71.22024	1.0
79.05505	1.8
81.07062	0.9
91.05480	1.8
93.07046	1.4
95.04942	0.7
104.10421	0.7
104.18030	0.6
105.07038	1.1
106.06561	1.4
108.08134	23.3
109.06563	1.0
115.05431	1.0
117.07028	5.2
118.06533	0.8
120.08101	1.4
121.06491	0.8
121.08917	0.9
122.09673	1.7
130.06573	5.0
131.07292	0.9
132.08054	1.3
133.06487	1.1
133.29306	0.7
137.05971	1.3
139.07513	1.6
143.07330	2.9
143.08421	0.8
144.08105	100.0
145.08467	1.3
155.06030	1.3
156.08098	1.7
158.09648	4.6
162.09239	1.2
163.03911	1.1
167.07085	1.0
168.08029	1.6
169.08748	3.0
170.09634	2.5
171.09210	0.9
177.01599	0.6
180.08125	1.1
180.10220	0.9
181.08752	0.9
182.09702	1.3
183.09140	1.0
184.23074	0.6
194.09714	1.0
194.11743	1.0
195.10260	1.0
198.11400	0.8
205.08836	1.0
206.09647	2.2
206.11563	0.7
207.10374	1.1
208.11250	1.6
212.12857	10.4
212.31137	0.7
218.09721	1.1
219.10457	1.6
220.11183	2.4
222.12756	2.8
224.12808	6.6
224.14752	0.7
232.11299	0.7
233.12076	1.1
234.12802	4.4
235.13593	1.1
236.14394	1.2
248.14307	0.7
251.15419	5.5
252.16270	0.7
260.14490	0.7
264.13898	1.3
276.13992	1.3
288.13885	0.8
308.16492	1.2
312.15869	0.8
326.17548	1.9
337.19043	1.1
338.17545	2.0
355.20212	97.4
356.20547	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	355.1027
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.51103	0.6
66.60220	0.6
69.03454	0.7
69.90759	0.6
70.70255	2.0
79.05474	1.0
83.04967	0.8
85.02902	2.1
89.03918	7.8
97.74935	0.6
107.04941	3.0
117.03395	11.6
135.04424	18.0
145.02849	12.5
163.03918	100.0
164.04236	1.3
168.32089	0.6
240.55496	0.6
245.05330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.78040	1.1
58.31503	1.1
61.78281	1.2
67.19889	1.0
69.64794	2.2
69.65205	5.0
70.80082	1.1
71.22756	1.3
79.05492	2.0
89.03927	9.4
107.04962	3.1
117.03380	12.7
135.04436	19.5
145.02858	13.8
148.04002	1.2
160.07632	1.6
163.03908	100.0
215.72510	1.1
249.34862	1.2
295.14407	2.0
355.16425	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	355.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47815	0.7
57.71795	0.7
68.30296	0.7
70.54314	0.7
70.59579	1.5
70.59924	1.7
73.81104	0.9
79.05491	0.8
89.03917	5.5
89.32466	0.6
98.36137	0.7
107.04955	1.7
114.99439	0.8
117.03405	7.1
122.79512	0.7
135.04431	15.8
137.04678	0.7
145.02867	12.4
163.03923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.57241	0.7
52.81295	0.7
56.58136	0.7
63.17760	0.7
69.17449	0.7
71.44667	1.4
76.27719	0.7
79.05493	1.2
89.03909	7.5
95.04957	1.1
97.46571	0.7
105.44159	0.8
107.04954	3.0
117.03381	9.1
135.04424	15.5
145.02864	12.2
145.03911	1.4
163.03909	100.0
200.46274	0.8
206.24551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03957	0.6
55.05515	9.9
56.05044	1.0
57.05808	1.7
57.07079	12.5
58.02961	1.3
58.06602	15.4
60.04531	3.7
62.02768	0.6
67.05515	7.2
69.07073	18.5
70.02952	3.8
70.06600	7.7
71.04996	1.5
71.08636	9.5
72.04513	2.4
72.08145	1.7
73.04758	1.5
74.06090	3.3
79.05479	2.4
81.06592	0.9
81.07056	13.0
82.06576	1.7
83.08158	0.9
83.08627	12.4
84.08152	5.4
85.10176	3.4
86.06081	4.9
87.04469	0.6
87.06848	1.8
88.07613	0.9
91.05851	0.9
93.07079	2.9
95.05013	0.7
95.08612	15.2
96.08118	1.1
97.06532	1.3
97.10181	8.8
98.09713	1.0
98.21544	1.2
100.07651	0.8
105.07028	1.0
107.08599	1.7
108.08122	0.9
109.06509	0.9
109.10165	7.0
111.11716	4.0
112.07593	1.5
114.09187	0.6
119.08530	0.6
121.10162	1.5
123.08085	0.9
123.11703	3.7
125.13255	1.6
126.09026	0.6
129.09033	0.6
135.11633	1.0
137.13263	1.3
144.08087	5.5
145.08467	4.3
154.27425	0.7
166.46817	0.6
198.22144	1.0
213.84370	0.6
215.32613	0.6
268.29935	1.4
268.98105	0.7
285.01138	1.1
294.31583	3.1
306.31552	3.4
307.29993	2.8
308.33051	4.0
318.31628	0.7
322.16495	0.7
326.34204	4.1
336.32608	16.1
337.31161	1.8
354.19031	4.9
354.33682	100.0
355.33905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	1.5
53.03942	3.3
55.05513	17.8
56.93235	1.2
57.03436	4.9
57.07070	5.5
65.03951	4.1
67.05513	94.5
69.07076	14.1
71.04992	3.9
71.08623	1.4
71.35653	1.4
75.04491	1.7
77.03924	1.4
79.05501	52.7
81.07064	100.0
83.04957	1.7
83.08634	7.0
85.06538	1.8
89.04953	1.4
91.05487	24.4
93.07050	60.3
95.04975	3.8
95.08617	70.4
97.06528	2.5
97.10176	3.6
99.08083	2.0
101.92347	1.5
103.13293	1.5
105.07039	19.9
107.08608	41.7
109.06510	1.7
109.10164	35.2
117.07030	11.0
119.08595	17.3
121.10159	31.5
121.11032	1.5
123.08087	1.8
123.11728	17.8
131.08598	21.4
133.10130	12.4
135.11691	26.5
137.13254	8.8
144.08096	54.2
145.10120	16.4
147.11678	11.7
149.13277	20.9
151.14818	1.8
159.11717	14.7
161.13251	9.6
163.14854	11.8
165.12711	2.1
165.33571	1.4
173.13261	16.9
175.14867	3.9
177.16409	4.5
178.08624	2.4
179.14317	1.7
187.14780	9.9
201.16409	2.3
205.16046	1.6
210.11118	1.6
233.22652	4.2
235.56808	1.4
243.21130	21.7
261.22171	89.6
279.23083	4.2
285.99881	1.5
335.25778	6.0
353.18582	23.2
353.26935	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
53.35044	0.8
55.05265	1.5
55.05514	16.9
56.24057	0.9
57.03447	4.6
57.07069	5.3
57.37283	0.9
65.03943	3.5
67.05509	95.6
69.07075	13.9
69.84016	2.2
69.84427	2.6
71.04982	3.2
71.08626	2.6
73.43549	1.1
75.04460	1.7
79.05497	50.7
81.07062	98.1
83.04982	1.1
83.08630	6.9
84.75268	0.9
85.06536	2.2
86.49349	1.0
87.88757	0.9
91.05493	23.9
93.07050	62.4
95.04964	3.3
95.08614	68.6
97.06538	4.1
97.10163	3.5
99.08090	2.7
105.06332	1.2
105.07034	19.5
107.08598	38.4
108.08112	2.3
109.06558	2.6
109.10165	35.1
109.49780	1.1
111.08096	1.5
113.09629	1.3
117.07024	14.8
119.08582	17.0
119.31190	1.1
121.10154	31.6
121.11042	1.8
123.08070	2.7
123.11718	20.8
131.04916	1.1
131.08578	21.7
132.05780	1.9
133.10143	13.9
135.11697	29.2
137.09634	1.3
137.13258	7.7
139.11209	1.6
143.07347	2.4
143.08539	1.4
144.08095	81.3
145.08412	2.3
145.10143	19.1
147.11696	9.3
148.07706	1.0
149.09605	1.5
149.13269	22.4
151.11198	2.1
151.14818	2.3
153.12778	1.3
155.06068	1.3
155.07320	1.1
156.07990	1.8
157.10103	1.1
159.11717	15.0
161.13264	9.5
163.11157	1.8
163.14842	14.1
165.12761	1.7
170.09631	5.3
173.13283	16.9
175.14824	3.0
177.12787	1.0
177.16371	4.4
178.08571	3.6
179.14354	2.1
187.14830	9.9
189.16350	1.2
191.06987	1.8
192.07881	3.6
201.16229	2.2
205.15810	1.5
210.11285	3.3
222.11189	1.9
233.22656	3.1
243.21112	23.1
252.10240	1.3
261.22153	100.0
262.22382	1.2
263.23611	1.7
279.23267	3.0
321.15997	2.3
335.25897	6.6
353.14597	1.8
353.18597	40.2
353.26944	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.41082	2.1
53.03943	4.4
55.05518	14.5
57.03422	6.9
57.07074	4.3
60.68787	2.2
65.03931	3.9
67.05507	96.1
69.07064	15.9
70.20257	7.4
75.04488	2.8
79.05495	47.0
81.07058	99.9
83.08620	7.8
84.50768	2.2
85.06554	3.0
91.05483	24.3
93.07045	58.4
95.08608	82.5
97.06559	2.6
97.10161	3.0
98.21455	2.9
105.07040	23.2
107.08605	37.6
109.10162	38.5
111.08119	2.3
117.07013	13.1
119.08616	17.4
120.22742	2.2
121.10149	33.3
123.08075	4.0
123.11703	22.6
125.99720	2.1
131.08586	22.9
133.10133	16.5
135.11681	31.9
137.13266	10.4
144.08087	72.0
145.10130	18.4
147.11676	11.6
149.13274	24.0
151.14836	3.2
159.11707	14.1
161.13258	11.0
163.14824	13.1
170.09665	3.7
173.13226	17.1
175.14784	4.0
177.16400	6.0
187.14819	9.8
201.16412	3.1
206.19460	2.2
210.11501	2.9
233.22705	5.9
243.21129	25.6
261.22141	100.0
262.22470	2.9
279.23123	9.1
290.06125	2.2
335.25754	11.4
353.18552	33.1
353.26947	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05499	10.1
55.82055	2.3
57.03430	8.8
57.07070	5.5
65.03958	2.7
67.05507	100.0
69.07077	14.7
70.11045	11.8
79.05076	3.4
79.05496	44.3
81.07062	97.7
83.08607	8.9
91.05484	16.8
93.06477	4.7
93.07042	53.3
95.04887	2.8
95.08612	76.9
98.20825	2.7
105.07031	18.5
107.08603	44.3
109.10165	35.9
114.53734	3.0
117.07023	10.6
119.08583	14.2
121.10146	26.3
123.11713	18.6
131.08601	21.7
133.10146	9.7
134.06924	2.7
135.11719	24.4
137.13260	6.4
144.08092	8.1
145.10141	14.5
147.11678	9.3
149.13313	15.1
159.11708	11.6
161.13269	9.9
163.14775	13.6
173.13306	14.3
175.14790	3.6
177.12787	4.3
177.16382	4.3
178.17575	2.6
187.14821	6.8
191.14264	3.4
233.22572	3.9
240.52559	3.2
243.21107	22.9
261.22153	97.6
261.24893	5.2
279.23166	8.0
335.25778	7.6
353.26929	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03950	1.9
55.01884	1.7
55.05517	12.8
57.03442	5.7
57.07083	5.4
63.04306	1.0
65.03951	2.3
67.05508	90.2
68.81331	1.0
69.07066	11.8
70.20482	4.0
70.20868	1.6
71.04971	2.3
71.08633	2.2
75.04487	1.4
79.05495	39.9
81.07059	100.0
83.08623	7.6
85.06540	2.1
85.83807	1.0
91.05480	21.7
93.07047	53.8
93.60367	1.1
95.04987	1.8
95.08611	74.6
97.06538	2.6
97.10178	3.0
99.08116	2.6
105.07035	17.5
107.08599	35.7
109.06515	2.4
109.10163	36.9
111.08088	1.6
111.11668	1.8
117.07019	7.6
119.08592	14.4
121.10151	31.7
123.08043	1.9
123.11712	19.6
131.08580	19.7
133.10129	13.1
135.11705	23.7
135.12727	1.5
137.09648	1.8
137.13252	7.8
139.11259	1.3
144.08092	7.1
145.10129	15.1
147.11713	9.3
149.13266	20.2
151.14827	2.9
157.10091	1.2
159.11702	12.6
161.13300	8.5
163.11295	1.5
163.14792	9.4
165.12744	1.2
173.13263	15.7
175.14873	3.2
177.12750	1.8
177.16394	4.4
181.51047	1.2
187.14841	9.4
201.16454	3.0
205.15915	2.4
215.17987	2.2
219.17499	1.4
233.22710	3.0
243.21101	22.1
261.22162	91.8
262.22406	1.4
279.23221	6.6
335.25876	12.1
353.18683	4.0
353.26898	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05511	12.2
57.03419	5.6
57.07066	4.5
67.05507	77.6
68.05836	1.5
69.07079	12.5
69.80440	8.1
70.19266	1.6
71.04976	2.5
79.05494	42.7
81.07059	82.5
83.08624	5.0
85.06538	2.0
90.77428	1.3
91.05484	22.9
93.07043	57.9
95.04946	2.5
95.08611	57.5
97.06533	2.7
97.10162	3.0
99.08112	3.5
105.07041	15.6
107.08599	38.0
109.10162	30.3
112.05849	1.6
117.07028	9.3
118.74453	1.4
119.08581	15.3
121.10145	30.7
123.11707	19.3
131.08575	19.8
133.10132	12.5
135.11688	22.8
137.13264	6.0
144.08092	20.8
145.10129	12.1
147.11662	8.3
149.13277	18.2
151.11156	1.6
159.11705	15.9
161.13216	5.7
163.14815	10.5
173.13263	16.1
177.16370	3.1
187.14819	9.7
201.16440	1.9
233.22614	3.5
243.21097	23.9
261.22153	100.0
279.23245	3.3
335.25781	6.1
353.18695	8.5
353.26938	24.7
369.23291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.186
Annotation	Ajmalicine
Peak:m/z	Relative Intensity
53.03931	0.2
55.05507	0.5
56.05030	0.5
68.05027	0.5
69.96007	0.7
79.05486	0.4
80.05025	0.1
81.07051	0.4
82.06606	0.2
83.01334	0.3
84.08161	0.2
91.05467	0.6
94.06552	0.2
95.04988	0.2
96.08155	0.1
103.05466	0.5
105.07077	0.2
106.06577	0.2
107.04936	0.1
108.08128	1.3
109.02888	0.4
109.06521	0.3
115.05463	1.3
117.05726	0.4
117.07020	5.6
118.06588	0.2
118.12522	0.2
121.06478	0.4
124.03958	1.3
127.05457	0.2
128.04977	0.3
128.06226	0.2
129.07042	0.7
130.06546	1.2
131.07324	0.2
132.08144	0.2
134.09633	0.3
136.07555	0.1
142.06525	0.2
143.07333	3.5
143.08470	0.2
144.08089	100.0
145.06552	0.7
145.08437	1.1
150.09146	0.2
154.06544	0.2
155.06041	1.2
155.07300	0.5
156.06917	0.2
156.08101	1.7
157.08853	0.2
158.09647	2.1
162.09145	0.3
164.07109	0.3
167.07281	0.6
168.08131	0.8
169.08867	0.2
170.09657	3.5
178.08630	4.0
180.08083	0.5
181.08865	0.3
182.09656	1.9
185.10771	0.5
194.09700	0.3
196.09631	0.2
196.11250	0.2
199.12276	0.6
206.09637	0.4
208.07826	0.2
208.09702	0.5
210.11255	5.7
218.09685	0.2
219.10506	0.2
222.11160	1.5
224.10619	0.3
225.13934	0.4
232.11258	0.3
234.09138	0.3
234.12775	0.2
250.12250	0.3
251.15508	0.8
252.10187	1.1
262.12369	0.3
278.11810	0.3
284.12784	1.0
292.13132	0.2
293.16541	0.3
304.13565	0.2
310.14453	0.2
321.15961	1.6
324.16022	0.2
329.52463	0.2
336.15948	0.5
353.18610	54.5
354.18933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0846
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.08337	3.5
54.70993	3.5
69.03420	9.9
70.26847	7.0
70.27183	8.0
72.32469	3.7
75.22276	3.8
76.85427	3.4
83.25622	3.6
85.02894	12.8
97.02895	5.5
127.03918	8.5
128.15150	3.5
143.01912	16.5
145.04944	4.1
155.01845	5.2
173.02843	4.9
183.05086	5.9
185.02954	7.0
203.03978	7.1
205.99501	4.8
215.04034	4.8
245.05017	19.0
263.06058	5.9
350.05887	3.5
353.08447	100.0
365.09171	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	353.1863
Annotation	Ajmalicine
Peak:m/z	Relative Intensity
53.65362	0.7
56.01577	0.5
70.67484	1.6
71.01350	0.6
79.05504	0.7
91.05502	1.5
93.05795	0.8
105.07025	0.8
106.06551	1.7
108.08141	3.0
115.05474	1.9
117.07019	5.1
118.06541	1.1
129.07028	1.2
130.06564	5.9
131.04965	1.0
131.08604	0.7
132.08112	2.7
134.09608	0.8
135.04474	0.6
143.07344	2.9
143.08473	0.7
144.08104	100.0
145.06520	0.9
145.08493	1.5
146.06038	0.7
146.09676	1.0
155.06082	1.5
156.08128	1.0
158.05995	0.7
158.09665	2.0
159.09094	0.7
160.07648	1.2
161.06117	0.6
162.09097	0.7
168.08115	1.9
170.09645	4.6
171.09201	1.0
172.07558	1.2
175.07559	0.5
176.07133	0.7
178.08676	3.1
180.08133	0.7
182.09718	0.9
190.08681	1.6
192.10130	2.8
204.08156	0.8
206.09714	0.8
210.11263	11.1
217.08908	1.7
218.09708	2.1
219.10435	1.2
222.11226	6.9
222.13072	0.8
230.09697	1.7
231.10417	0.8
232.11224	2.2
234.12901	1.6
243.10527	1.2
244.11185	1.8
246.12779	1.1
251.15430	2.1
256.11240	0.6
258.12790	3.5
286.12338	1.3
292.13397	1.7
304.13272	0.6
306.14792	1.2
310.14700	0.7
318.15012	1.5
321.16019	1.4
335.17487	0.8
336.16064	3.9
353.18652	97.3
354.18973	3.2
362.13785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01866	2.3
55.05511	24.2
57.07059	6.7
65.03934	4.0
67.05509	34.9
69.03429	6.0
69.07072	59.4
69.39508	3.6
69.39903	14.0
70.07410	1.8
70.10319	1.9
70.71204	1.7
71.04993	10.9
73.27106	2.0
79.05071	3.4
79.05496	29.9
81.07059	60.9
83.04973	2.6
83.08627	13.4
91.05481	45.2
93.07044	67.8
95.04973	22.9
95.08611	66.4
97.06538	19.4
97.10144	6.1
103.05454	4.4
105.04497	2.3
105.07036	84.2
106.07372	2.0
107.04999	2.3
107.08604	55.4
109.06525	6.7
109.10162	57.2
111.08076	4.2
112.35308	1.8
115.05485	4.1
116.06269	2.2
117.07037	14.1
119.08586	100.0
121.06525	9.0
121.10139	54.2
123.08085	4.6
123.11720	17.9
128.06227	8.5
129.07018	12.9
130.07761	5.4
131.08571	41.4
133.10139	43.8
133.11119	3.6
133.94675	1.9
135.08066	12.9
135.11688	12.6
137.09637	3.8
137.13321	8.9
141.07018	4.6
142.06831	2.3
142.07747	12.0
143.08563	27.0
144.08095	2.0
144.09331	4.3
145.06497	3.4
145.10133	53.6
146.07288	9.2
147.08052	9.6
147.11710	25.7
149.09618	14.6
149.13237	4.4
155.08560	6.4
156.08205	1.9
156.09306	9.8
157.10147	44.6
158.10912	2.5
159.08040	5.1
159.11690	27.0
161.09624	53.1
161.13255	15.6
163.11208	2.6
163.14850	2.6
167.08516	2.6
167.11385	1.9
168.09445	2.3
169.07710	2.3
169.10106	11.1
170.10887	2.5
171.11679	29.8
172.12468	3.2
173.09659	3.9
173.13310	15.6
175.11180	8.1
175.14890	14.8
177.16399	18.4
179.08519	4.2
181.10098	4.0
183.11720	8.9
185.09660	2.8
185.13289	19.5
187.14865	8.5
189.12770	4.3
189.16406	7.6
193.10193	2.6
194.10918	5.7
195.11755	7.7
197.10777	4.2
197.13310	11.4
198.14110	2.3
199.14871	13.1
201.12775	2.2
201.16412	5.6
203.17937	8.1
209.13264	15.6
211.14845	7.4
213.12848	2.6
213.16402	5.2
215.17882	2.8
223.14619	3.6
227.14343	4.6
227.17928	3.6
237.10074	3.7
241.19571	7.2
243.21066	2.8
249.13960	10.3
249.16202	2.1
253.19547	2.8
255.21100	7.0
259.20670	2.1
263.08072	13.2
263.17883	2.9
265.09787	27.5
267.21091	5.4
268.21887	2.6
293.22617	2.8
319.14459	5.4
333.25760	4.3
351.17035	93.2
351.26697	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	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75867	1.8
51.61224	1.6
53.03953	3.5
55.01884	4.0
55.05518	25.4
55.51172	1.7
57.03438	14.4
57.07073	3.3
65.03954	2.0
67.05512	52.7
69.07077	22.2
69.22882	17.7
71.04984	2.8
71.08646	27.5
74.70679	1.5
79.05504	40.2
81.03419	5.4
81.07067	53.2
83.04989	8.3
83.08633	9.0
85.06524	2.8
91.04987	2.4
91.05500	31.3
92.81065	1.6
93.07056	58.0
95.04973	7.7
95.08004	1.9
95.08623	36.6
97.06524	5.3
97.10177	6.9
98.20775	2.5
99.08102	20.1
105.07044	28.5
107.04939	4.0
107.08610	34.2
109.10173	24.1
111.08074	2.5
113.09663	2.0
117.07012	5.7
119.08592	20.5
121.10156	26.6
123.08071	2.2
123.11729	3.4
125.09618	3.4
129.07010	5.1
131.08612	9.8
133.10150	20.6
135.08157	3.7
135.11707	26.7
137.09622	3.2
140.98317	1.8
143.08565	5.1
144.08069	2.1
145.10146	9.8
145.11172	2.1
147.11713	14.9
149.09671	3.0
149.13278	11.5
151.11230	11.4
153.12781	1.8
156.08044	2.0
157.10094	2.6
159.11708	6.7
161.13287	11.7
163.11230	6.0
163.14838	2.8
165.09207	2.0
165.12788	2.9
168.08118	3.6
171.11690	3.3
173.13240	3.4
175.11252	2.1
175.14851	3.7
177.12773	3.1
179.14339	44.3
179.15846	2.8
185.13345	4.7
197.10799	7.2
199.14870	4.8
203.18057	2.0
205.28503	1.6
209.10785	2.9
217.15923	1.8
221.15411	2.2
231.21158	4.0
234.11737	2.2
235.08737	5.6
235.16934	2.9
237.10316	2.9
241.19547	7.5
249.10168	4.3
249.13882	14.5
259.20633	20.4
263.08221	9.5
265.09747	29.1
277.21652	27.6
281.09338	2.4
319.14517	9.7
319.22775	5.7
333.13644	2.4
351.17078	100.0
351.25320	41.5
352.17316	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	2beta,3beta-Dihydroxy-ent-cativic acid
Peak:m/z	Relative Intensity
53.03944	1.6
53.66893	0.9
55.01871	1.9
55.05510	6.4
57.03428	1.3
57.07081	7.5
57.42486	0.8
59.04990	2.5
67.05509	8.1
69.07071	25.5
69.13114	2.3
69.13531	7.2
71.04988	2.9
71.08624	1.0
79.05495	7.8
81.07056	11.7
83.04963	1.4
83.08605	3.0
85.06559	4.3
90.40889	0.8
91.05476	7.4
93.07049	22.9
95.04956	2.0
95.08611	18.7
97.06512	2.3
97.10164	0.9
98.21539	2.0
101.09669	10.1
105.07017	6.2
107.04991	1.0
107.08601	21.3
109.06525	6.9
109.10139	3.5
111.08084	2.2
117.07005	1.1
119.08595	6.3
121.06538	1.7
121.10148	7.0
123.08089	8.0
125.09633	3.2
129.07004	1.4
131.08540	2.3
133.10127	2.9
135.08061	25.3
135.11720	2.9
137.05994	4.2
137.09586	2.3
139.07576	5.0
141.09108	2.5
143.08565	1.3
145.10152	1.9
147.11702	1.7
149.09601	4.9
149.13286	5.8
150.06789	2.5
151.14894	1.0
152.08331	2.9
153.09097	1.5
157.10056	1.5
159.10176	2.1
159.11681	2.8
161.09648	2.6
161.13315	1.9
165.09111	23.2
165.12738	1.4
170.09605	1.3
171.11783	1.3
173.11836	1.6
173.13362	1.2
175.14789	1.1
177.12746	6.8
178.13467	1.1
179.14308	3.9
181.12344	1.2
181.15895	5.5
185.13231	1.0
187.14775	1.0
189.12749	1.8
191.14308	4.9
197.10736	1.7
199.14777	1.3
201.12619	0.9
203.14304	0.9
209.10826	0.9
209.13498	1.7
209.15340	9.8
235.08754	1.4
235.17010	3.8
249.10184	1.1
249.13855	5.8
250.07384	1.0
259.20639	2.0
263.08167	3.8
263.16455	5.8
265.09787	10.0
273.22107	1.0
291.23126	1.4
301.21622	1.7
319.14578	2.9
319.22681	100.0
320.23080	1.5
351.17050	33.7
351.25443	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01868	1.1
55.05276	0.9
55.05517	13.5
57.03440	6.4
57.07074	2.3
60.12831	0.9
65.03927	1.1
67.05507	24.2
67.37130	0.8
67.60667	0.8
69.07076	7.8
70.76504	0.8
71.04996	2.1
75.04485	1.7
78.14978	0.9
79.05494	33.5
81.07061	29.6
83.04964	1.4
83.08626	4.5
85.06541	2.6
91.05483	27.5
93.07048	48.2
95.04977	2.7
95.08611	18.1
95.60721	1.0
97.06533	1.5
97.10152	1.5
98.21539	1.6
99.08105	1.7
100.32404	0.9
103.05469	1.0
105.07037	29.0
106.06583	1.0
107.04972	0.9
107.08602	27.3
109.06501	1.7
109.10164	7.5
111.08094	1.1
113.09589	0.9
115.23999	0.8
117.07036	7.0
119.08585	29.0
121.06528	1.6
121.10149	21.4
123.08113	0.9
123.11704	1.8
129.05438	1.0
129.06992	5.6
131.08559	9.9
133.09122	1.4
133.10135	28.4
135.08072	1.6
135.10707	1.6
135.11702	23.2
137.05960	2.1
137.09625	1.0
139.04974	0.8
142.06506	1.1
143.08551	5.3
144.08116	1.0
145.10120	10.2
147.11694	24.3
149.09587	1.4
149.13258	16.2
151.11180	1.4
156.08090	1.2
157.10138	5.7
159.11703	11.1
159.14070	0.7
161.09637	1.2
161.13266	21.0
163.11206	1.5
163.14801	4.3
168.08139	1.4
169.07629	1.2
170.09705	2.1
171.11714	8.6
173.13268	5.8
175.11168	1.4
175.14824	12.1
177.12776	1.5
182.08455	1.7
185.13240	7.1
187.14883	1.8
189.16289	1.0
193.12161	0.9
195.09209	1.1
197.10745	8.5
199.14722	4.0
203.14226	1.4
209.10753	5.1
209.56551	0.8
213.16386	3.5
215.17982	1.9
217.19539	3.2
221.10735	1.8
221.15363	1.1
231.17479	2.0
231.21069	4.3
234.11655	1.7
235.08722	3.9
237.10269	1.7
241.19539	17.9
247.12341	1.4
249.10364	4.3
249.13914	14.2
250.07448	1.7
254.71942	0.9
259.20590	47.3
263.08167	14.6
265.09732	35.6
266.10110	1.1
277.21658	8.3
281.09232	1.8
291.15018	2.3
296.25815	0.9
319.14371	7.2
333.24191	5.3
351.17053	100.0
351.25259	31.3
352.17392	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	2beta,3beta-Dihydroxy-ent-cativic acid
Peak:m/z	Relative Intensity
53.03929	1.1
55.01871	2.1
55.05513	14.1
57.07076	5.5
59.04997	2.1
63.92647	0.9
65.03933	1.6
67.05512	16.7
69.03440	1.3
69.07071	17.3
69.26521	2.1
69.26921	7.3
71.04993	8.5
71.08628	2.0
73.06559	1.2
73.26150	1.0
74.23747	1.0
79.05498	11.7
81.07060	15.6
83.04982	2.0
83.08631	7.2
85.06535	4.5
86.18318	1.0
91.05485	12.3
93.06478	2.0
93.07047	24.5
95.04980	4.1
95.08614	17.3
97.06525	3.0
97.10152	2.8
99.08129	1.6
101.09644	3.7
105.06350	1.4
105.07014	8.3
107.04958	3.2
107.08601	24.3
109.06526	10.8
109.10161	14.1
110.93044	1.1
111.08091	3.9
117.07049	1.1
119.08585	14.4
121.06476	2.7
121.10162	9.2
123.08074	12.0
123.75954	1.1
125.09619	5.0
131.08580	1.9
133.06401	1.5
133.10159	6.2
135.08060	35.8
135.11688	4.7
137.05983	3.9
137.09612	11.8
139.07581	5.3
143.08542	1.5
144.08174	1.1
145.10141	3.9
147.08070	1.5
147.11728	3.1
149.09705	5.0
149.13246	3.5
150.06822	2.0
151.07582	1.6
152.08362	3.5
153.09084	1.8
155.10687	4.5
157.10147	2.4
159.11734	2.6
161.09602	2.7
161.13278	1.8
163.14781	1.2
165.09122	27.7
165.12778	4.2
168.08170	1.5
169.07593	1.5
169.12225	1.5
170.09662	1.1
171.11671	1.8
173.11777	14.1
173.13205	2.2
175.11220	1.5
175.14833	1.7
177.12753	15.9
178.13382	1.2
179.14322	8.0
181.15884	3.6
185.13254	1.6
187.13274	2.5
189.12839	2.1
191.14372	4.4
193.12233	1.3
195.13814	1.1
197.10771	3.7
199.14874	1.6
203.14322	1.5
205.15948	1.3
209.10709	1.3
209.15353	5.0
219.09329	1.4
235.08693	2.0
235.16870	3.1
237.10205	1.2
249.10291	1.7
249.13860	6.7
259.20596	1.6
263.08377	4.8
263.16293	2.3
265.09723	13.9
273.22128	1.9
274.15762	1.1
277.18005	3.3
279.11334	1.3
291.23032	1.9
293.26913	1.0
295.19067	1.9
301.21768	2.1
319.14569	4.2
319.22690	100.0
320.23099	2.2
333.24295	2.4
351.13455	1.9
351.17065	51.0
351.25357	44.6
352.17450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	3.5
55.05515	12.7
57.03426	1.9
57.07091	4.0
59.04989	1.1
65.03938	1.3
67.05508	17.7
69.07071	14.4
71.05000	16.1
71.08624	1.0
71.49366	1.0
77.03924	0.8
79.05497	11.2
81.06590	1.3
81.07060	20.4
83.04975	1.8
83.08648	4.6
85.06528	2.6
91.05497	8.7
93.07043	21.8
93.42412	0.7
95.04973	3.4
95.08613	64.3
97.06522	3.3
97.10166	3.0
99.08102	1.7
101.09658	6.0
105.07025	7.4
107.08601	19.7
109.06533	7.7
109.10165	11.0
110.05512	0.7
111.08082	2.6
117.07019	1.8
119.08595	9.5
119.25077	0.8
121.06526	1.9
121.10168	7.8
123.08079	20.4
125.09630	3.8
129.07005	1.2
130.89497	0.9
131.08531	2.0
133.10117	3.9
135.08058	30.8
135.11707	2.9
137.05997	4.1
137.09602	7.5
139.07555	6.4
141.09113	12.2
143.08563	1.8
145.10120	2.8
147.08110	1.3
147.11650	3.0
149.09633	5.3
149.13268	4.3
150.06799	1.9
152.08348	3.1
153.09050	1.9
155.10674	5.9
157.10152	1.4
159.10197	13.0
159.11559	1.9
161.09669	3.7
161.13275	1.6
163.11229	0.8
165.09125	25.6
165.12752	1.6
171.11655	0.9
173.11774	16.4
173.13226	1.8
177.12737	13.6
179.14273	5.1
181.15886	4.2
185.13231	1.8
187.13304	2.1
189.12738	1.0
191.14317	4.7
193.12280	1.5
197.10709	2.7
199.14740	1.1
203.14377	1.2
208.14616	0.9
209.10847	1.1
209.15349	6.0
235.08659	1.1
235.16881	2.5
237.10387	1.3
241.19545	0.9
249.10118	2.2
249.13884	6.1
263.08194	5.5
263.16376	3.9
265.09714	11.9
277.18011	2.7
291.23212	1.2
295.19012	2.0
301.21649	1.5
304.46747	1.0
319.14661	3.5
319.22687	100.0
320.22961	1.8
329.40134	1.0
351.17047	38.4
351.25458	11.2
355.15433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65439	1.7
51.08687	1.7
53.03942	6.9
55.05518	13.4
57.03429	5.3
57.07082	2.2
64.52686	2.0
65.29182	1.8
67.05190	3.4
67.05508	40.0
69.07066	18.5
69.60646	12.5
71.04981	3.4
73.75357	1.7
79.05495	59.2
79.29633	1.8
81.07059	40.2
82.12611	1.8
83.08599	5.9
85.06532	3.9
91.05483	52.1
93.07044	70.6
95.04969	4.6
95.08611	32.4
97.06517	2.7
99.08084	5.3
101.09658	4.4
102.40052	1.9
105.07030	55.2
107.08595	40.5
109.06496	4.0
109.10155	10.7
111.13331	1.9
117.07013	13.0
119.08584	56.8
120.08855	2.0
121.10158	30.2
123.08038	2.4
129.07002	8.8
131.08580	18.2
133.10144	47.3
135.11691	33.3
137.09633	2.1
143.08557	9.2
145.10141	19.6
147.11691	49.8
149.09540	3.0
149.13269	20.1
157.10130	8.8
157.35503	1.8
159.11699	18.6
161.13275	40.0
163.11168	3.6
163.14845	5.5
171.11716	14.9
173.13271	11.7
175.14827	13.3
177.12700	3.7
185.13260	15.1
187.14789	3.4
189.12729	2.2
194.26656	1.6
197.10730	2.0
199.14839	9.5
203.14310	4.0
213.16348	3.2
231.17424	3.8
231.21129	10.4
241.19490	27.0
249.13977	4.0
255.48724	2.2
259.20587	100.0
263.08200	2.7
265.09726	6.9
277.21454	3.9
281.12854	3.7
319.22614	3.3
333.24237	3.5
351.17044	29.8
351.25311	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01871	3.8
55.05524	22.7
57.03430	8.3
57.07077	5.6
58.60120	2.3
61.16911	2.5
63.28574	2.7
67.05185	4.0
67.05513	57.4
69.07076	45.2
71.05001	4.5
71.69329	2.5
75.04477	3.4
75.70276	2.6
76.54642	2.4
76.91629	2.6
79.05505	69.2
81.07069	51.3
83.08615	6.9
85.06549	5.8
90.64139	2.4
91.04917	2.9
91.05490	51.8
92.33942	2.3
93.06491	5.1
93.07055	91.1
95.04974	6.2
95.08620	37.2
97.06512	3.4
97.10178	4.9
99.08100	5.8
101.09666	19.2
105.07041	59.0
107.08605	56.3
109.06519	6.2
109.10152	24.5
113.09619	3.0
117.07058	13.0
119.08597	59.6
121.10169	38.7
122.41429	2.5
123.08080	3.1
123.11668	4.0
125.29333	2.5
129.07031	6.4
131.08594	19.2
133.10152	48.4
134.25291	2.4
135.08043	4.6
135.11716	39.5
137.09645	4.5
143.08582	9.6
145.10130	17.5
147.11710	40.8
147.38794	2.4
149.09579	5.1
149.13284	28.9
157.10164	7.3
159.11726	16.4
161.13272	34.4
163.11218	3.8
163.14801	12.2
165.12828	2.6
171.11740	15.9
173.13292	9.1
175.14856	16.1
177.12788	6.0
181.24553	2.8
185.13216	15.4
187.14720	3.1
195.09123	2.9
196.73886	3.0
197.10793	5.4
199.14854	7.6
209.10754	3.9
213.16348	2.4
221.10916	3.0
225.02533	2.5
231.21097	6.9
235.08612	4.8
241.19528	33.1
247.12469	4.3
249.10298	4.9
249.13908	14.6
253.76151	2.9
259.20596	91.8
260.21027	2.9
263.08240	9.7
265.09738	30.7
277.21606	12.7
281.12943	6.5
291.15240	3.2
291.23093	4.2
319.14383	9.1
319.22775	9.5
327.34518	2.7
333.24295	6.0
351.13223	3.8
351.17047	100.0
351.25369	62.3
361.78519	2.5
369.18445	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.9
51.24367	2.3
53.03940	5.0
53.29216	2.1
55.01845	2.5
55.05514	23.5
57.03439	12.4
57.07086	4.1
67.05139	2.7
67.05502	53.5
69.07061	15.8
69.37035	3.4
69.37444	12.7
71.05000	2.6
71.08609	4.7
77.89196	2.3
79.05497	71.4
81.06591	4.2
81.07056	67.0
83.08621	8.9
85.06528	5.2
91.04913	3.1
91.05482	57.4
93.07043	100.0
95.04959	5.8
95.08614	42.9
97.06542	5.3
97.10152	4.9
99.08086	3.9
105.07034	65.7
107.08589	56.3
108.34107	2.0
109.10172	19.6
117.07030	14.6
119.08582	56.7
121.10143	48.5
123.08097	2.2
123.11713	5.4
129.06966	10.9
131.08559	26.7
133.10129	46.7
135.08110	2.4
135.11691	50.4
143.08580	9.9
145.10120	22.4
147.09105	2.2
147.11687	58.5
149.09549	3.0
149.13275	31.2
151.11235	4.1
157.10126	11.3
159.11694	15.1
161.09644	2.0
161.13264	44.4
163.14819	12.7
165.40192	2.3
168.08046	2.0
171.11694	14.9
173.13246	11.5
175.11285	3.0
175.14842	26.4
177.12755	2.3
179.14279	4.2
185.13287	13.0
187.14798	3.1
189.12770	3.3
197.10756	6.1
199.14821	6.1
209.10745	3.7
213.16370	7.4
217.15881	2.2
217.19533	7.9
230.22350	2.1
231.17474	5.2
231.21101	12.4
235.08669	5.2
237.10266	2.4
241.19522	38.4
249.10228	5.0
249.13878	13.8
259.20587	100.0
261.22223	2.4
263.08099	12.4
265.09738	24.0
277.21661	19.7
284.95114	2.3
319.14359	6.0
333.24301	9.0
351.17035	95.5
351.25333	74.6
351.29663	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.74812	17.4
69.07057	23.1
70.69366	19.2
71.05001	73.6
71.49168	34.4
81.03451	20.3
81.07063	73.1
85.02911	48.7
91.05486	38.7
93.07057	40.5
95.08589	18.4
97.97241	19.1
107.08587	31.0
108.26814	20.2
109.10169	26.7
110.73698	17.2
135.11641	49.1
137.13322	23.7
137.43123	16.5
153.12790	100.0
211.13304	55.6
315.66141	20.2
350.19391	23.2
351.16867	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	351.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.5
57.03431	1.1
58.73570	0.8
58.99874	1.0
61.02929	0.9
62.06448	0.7
65.71217	0.9
66.49955	0.7
69.03445	1.0
81.03419	0.9
82.99871	1.4
83.78845	0.9
84.78310	0.8
84.96053	0.8
85.01416	3.0
85.02901	1.6
88.32100	0.8
88.57816	0.9
89.03959	1.0
94.99872	1.2
97.02880	1.3
98.97585	5.6
99.02963	1.2
101.00905	8.1
103.00636	1.5
103.02444	3.3
110.97559	2.4
111.02959	2.0
113.00861	7.2
115.02433	3.5
117.04026	2.9
119.01915	3.7
121.01642	0.9
127.02412	3.7
128.88403	0.8
129.03995	9.4
131.01929	6.7
133.01695	0.9
133.03471	3.7
135.03233	1.2
137.00836	2.2
139.02353	1.0
141.03955	1.3
143.01903	3.2
145.03535	6.2
147.05043	33.7
147.06218	1.8
153.03964	4.3
154.26579	0.8
155.01906	7.3
156.02737	1.3
157.03471	2.8
158.99742	1.0
159.05052	3.7
161.03021	1.8
163.02649	1.9
163.03899	4.0
164.04280	1.3
165.06039	3.9
167.05515	1.7
169.03419	1.2
170.99747	1.6
171.01408	1.2
171.05020	11.7
173.02974	4.7
173.06639	2.3
175.02850	1.2
175.04533	3.0
177.00880	0.9
178.01010	0.9
181.03490	1.0
182.99602	1.0
183.05083	7.0
185.01418	1.1
185.02985	2.7
185.06647	4.7
187.02739	1.0
189.06099	38.3
190.00623	0.9
195.05067	2.9
201.00728	1.0
201.06099	36.4
202.06207	1.2
203.04047	7.5
203.07666	7.1
207.05165	3.4
213.06142	4.3
215.07547	1.1
217.00130	1.3
217.05553	1.0
219.01834	2.6
221.05072	10.3
223.04968	1.2
225.06117	11.8
231.01692	1.4
231.07240	5.0
233.08807	1.1
237.02893	1.2
243.07123	2.0
245.05095	1.3
247.06699	2.3
249.02788	2.0
255.07246	1.4
261.08276	3.5
273.08224	3.4
279.09357	1.5
291.09286	100.0
292.09457	2.7
309.05084	0.9
309.10431	20.2
351.11569	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52583	3.9
64.79945	3.4
65.03928	6.6
67.05530	3.7
70.60126	9.0
71.01376	3.8
75.72002	3.6
76.84711	3.5
83.04986	6.2
85.02898	15.5
101.64901	4.0
111.04444	30.6
111.70894	3.8
121.79891	3.8
139.03906	81.3
145.04907	4.6
150.64038	3.9
159.06708	4.4
163.03899	17.2
171.06523	100.0
178.08199	4.3
249.60617	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	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.0
57.03424	6.4
69.03436	7.2
69.07062	20.3
70.09792	22.8
71.04994	16.5
79.05499	10.6
81.03412	5.8
81.07050	20.4
83.08596	7.8
83.65513	5.6
85.02901	22.8
93.07044	24.5
95.08599	8.6
97.02865	7.2
100.11210	8.7
107.08586	21.6
109.10164	6.5
110.78764	5.9
120.08084	16.0
125.13262	8.8
135.11682	31.5
140.82642	5.4
144.08064	7.8
152.23988	6.3
153.12756	100.0
174.54550	6.4
227.67719	8.1
249.14021	10.9
301.24606	8.2
351.13138	8.5
351.17038	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94319	0.3
56.96551	1.1
64.21714	0.3
66.81183	0.3
68.82520	0.3
69.03425	0.5
69.91385	1.6
70.06567	0.4
72.08196	0.3
79.01867	1.6
81.03413	0.5
83.05011	0.3
84.08167	0.4
85.02923	0.7
89.03912	0.9
91.05450	0.5
97.02890	0.5
98.97588	2.3
98.98466	3.0
107.04966	0.7
112.07602	0.7
116.98618	0.5
117.03342	0.5
118.06511	0.5
120.08109	22.4
121.01669	0.5
124.99197	0.4
124.99999	10.7
131.01932	0.4
131.07275	0.6
134.99637	0.4
135.04411	1.2
136.07559	0.3
143.00119	0.6
143.01918	0.6
145.01691	0.8
145.02686	0.5
146.03645	0.5
146.09653	38.4
147.04408	0.3
148.07562	0.6
152.10713	3.9
153.01843	8.2
153.02913	0.6
154.02130	0.6
158.06595	0.6
158.99661	1.1
161.01155	0.5
161.02968	0.7
163.02670	0.7
163.03908	5.6
164.04231	0.4
164.10721	23.5
165.11432	0.7
166.08693	2.0
169.03517	0.5
170.03683	0.7
176.07097	0.5
178.12282	24.9
179.12727	0.5
188.03691	1.1
188.07610	0.4
188.12816	1.1
196.13336	100.0
197.13657	1.4
211.00894	0.5
222.05460	0.4
233.99307	1.0
234.99017	0.6
237.02878	0.7
244.07303	0.6
267.03836	0.4
274.08469	0.4
276.07208	0.5
276.09991	7.1
288.06281	0.4
291.07385	0.7
303.01447	0.7
307.03110	0.4
309.08447	1.6
316.65912	0.3
332.05469	0.6
332.12558	0.5
350.08881	1.7
350.13629	15.3
351.09894	0.8
361.00214	0.5
362.00613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01890	0.6
55.05512	3.9
57.07074	5.4
60.82359	0.5
64.53522	0.5
66.47737	0.5
67.05513	5.6
69.07072	5.5
71.04961	1.1
71.08614	2.1
79.05499	6.1
81.07062	10.4
83.04959	0.9
83.08592	1.5
85.06528	2.9
91.05491	4.8
93.07053	6.5
95.04958	1.8
95.08612	8.6
97.06502	1.5
99.08076	1.8
105.07027	7.5
107.04993	0.6
107.08600	6.0
109.05827	1.1
109.06525	18.5
109.10161	4.7
116.06181	0.6
117.06990	1.6
119.08590	7.2
121.06502	0.6
121.10160	6.1
122.07272	1.6
123.08073	27.1
123.11716	1.5
128.06219	1.0
129.07016	0.8
131.08592	3.0
133.10141	4.3
135.08049	4.6
135.11684	1.5
137.09575	0.8
137.13284	0.7
141.06990	0.6
142.07776	1.1
143.08563	1.9
145.10127	4.1
147.11693	2.0
149.09616	1.3
149.13271	1.4
155.08551	1.0
156.09299	0.9
157.10123	2.7
159.11700	3.1
161.13275	1.6
163.11143	1.0
165.12683	0.8
167.14423	0.6
168.70457	0.6
169.10139	1.8
171.11703	2.2
173.13271	1.7
175.14848	1.0
179.14320	100.0
180.14713	1.1
180.28506	0.5
183.11711	1.5
185.13248	1.3
187.14868	0.7
193.15919	2.3
194.10820	0.9
195.11797	0.8
197.13179	1.0
199.14886	0.9
207.11665	0.6
209.13290	1.3
211.14845	0.8
213.12727	0.6
225.16318	0.5
239.18077	0.6
253.19461	0.8
261.06766	0.7
263.08234	0.7
275.20026	1.1
289.25424	1.0
293.21161	1.0
317.12994	0.6
331.26401	2.4
349.15775	3.6
349.27463	82.2
350.27643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03949	0.6
55.01876	1.2
55.05515	6.1
57.03431	0.5
57.07062	1.7
59.04994	0.6
60.46889	0.5
67.05518	4.7
69.06731	0.9
69.07070	10.6
71.04984	1.2
71.08619	0.7
73.06573	0.8
79.05516	4.0
81.07056	9.7
83.04978	1.5
83.08627	4.4
86.25628	0.7
91.05479	3.1
91.59000	0.5
93.07048	5.9
95.04968	0.7
95.08617	9.2
97.06521	2.3
97.10159	0.9
99.08096	1.0
105.07038	3.3
107.08593	5.3
109.06515	11.6
109.10165	3.4
111.08098	2.5
117.07084	0.7
119.08585	4.3
120.37203	0.5
121.06535	1.0
121.10115	4.1
123.08073	71.5
123.11684	2.1
131.08609	0.8
133.10143	3.3
135.08060	4.3
135.11717	1.6
136.08760	0.6
137.09630	3.5
145.10118	1.1
145.93567	0.6
147.11717	2.9
149.09644	1.6
149.13251	1.8
158.97897	0.5
159.11688	1.8
161.13255	1.4
165.12741	0.8
167.14299	0.8
173.13435	0.6
177.12732	0.5
179.14308	15.2
233.19046	0.8
275.20251	1.3
279.19812	0.8
289.25131	1.1
293.21133	19.3
307.22766	1.6
331.26297	4.0
349.27396	100.0
350.27737	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03936	2.2
55.01887	2.1
55.05512	8.3
57.03433	2.9
57.07069	2.8
57.88415	1.2
59.05010	1.0
60.76187	1.0
67.05505	13.4
69.07076	16.8
71.04972	1.3
71.08618	1.8
71.49415	1.6
71.57413	0.9
79.05499	8.5
81.07056	17.6
83.04987	1.9
83.08612	4.3
85.06540	2.3
85.42641	1.1
88.94082	1.0
91.05478	10.1
93.07053	11.7
95.04961	1.8
95.08607	13.8
97.06555	4.7
97.10167	1.9
99.08131	1.5
105.07036	10.3
107.04995	1.6
107.08601	10.1
109.06522	14.5
109.10149	7.3
111.08080	3.7
117.07030	1.6
119.08594	10.0
121.06513	2.0
121.10126	6.6
122.07320	1.2
123.08073	53.7
123.11710	3.9
129.07039	1.4
131.08542	3.5
133.10150	7.7
135.08073	6.7
135.11664	2.3
137.09622	3.9
143.08574	3.0
145.10120	6.3
147.11699	4.8
149.09634	3.0
149.13290	3.5
151.11218	1.5
157.10162	2.1
159.11752	5.0
161.13269	1.9
163.11203	2.4
165.12816	1.9
167.14322	1.3
169.10065	1.5
171.11783	1.1
173.13240	1.9
179.14325	49.8
183.11716	1.6
193.15944	1.3
235.08647	1.3
253.19553	3.9
257.19073	2.1
261.06494	1.2
263.08115	3.9
275.20056	8.0
279.21231	1.9
293.21121	13.6
317.12918	1.6
331.26337	3.1
349.15475	11.8
349.24216	5.4
349.27417	100.0
350.27792	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	0.6
55.05515	3.1
57.03423	0.5
57.07082	4.6
66.77657	0.4
67.05508	5.1
69.03429	0.6
69.07072	4.4
69.21104	3.9
71.08653	2.6
78.59660	0.4
79.05494	4.5
81.07059	8.1
83.04968	0.8
83.08596	1.3
85.06566	2.7
88.99766	0.4
91.05491	4.0
93.07060	4.8
95.04955	1.2
95.08622	7.1
97.06525	1.2
97.10155	0.6
99.08076	0.9
105.07057	5.5
107.04981	0.6
107.08603	4.3
109.06528	20.7
109.07276	1.1
109.10172	3.7
111.08078	1.1
117.07056	1.1
119.08585	5.2
121.06555	1.0
121.10149	3.6
122.07305	2.4
123.08078	27.8
123.11693	1.1
129.07031	0.5
131.08569	2.1
133.10091	2.3
135.08067	3.9
135.11693	0.8
137.09637	0.8
137.13297	0.6
143.08577	1.8
145.10117	1.9
147.11728	1.0
149.09595	0.9
149.13266	1.3
157.10088	0.8
159.11707	1.9
161.13298	0.8
165.12819	0.7
167.14359	0.8
171.11713	1.0
173.13248	1.0
179.14326	100.0
180.14673	1.2
183.11757	1.1
185.13289	0.6
187.14713	0.7
193.15939	3.0
195.11769	0.5
197.13235	0.5
199.14958	0.5
275.20288	0.7
293.21329	1.1
331.26563	3.0
349.15555	1.7
349.27432	81.7
350.27765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01870	0.6
55.05511	6.9
55.23220	0.5
57.03411	0.9
57.07058	1.9
62.67292	0.5
67.05514	5.9
69.03401	0.5
69.06736	0.7
69.07072	10.8
70.11954	1.6
70.12367	0.9
71.04988	1.3
71.08627	0.8
73.06540	0.5
79.05114	0.6
79.05494	4.7
79.26875	0.6
81.07058	9.6
83.04970	1.5
83.08631	4.3
85.06537	0.7
91.05466	3.1
93.07049	5.2
95.08613	7.4
97.06528	1.6
97.10197	0.7
105.07050	3.1
106.82074	0.6
107.08594	6.1
109.05801	1.0
109.06514	12.4
109.10178	4.3
111.08067	2.1
117.06979	0.8
119.08603	3.4
120.86332	0.5
121.06531	0.5
121.10125	3.1
122.07281	0.9
123.08069	65.6
123.11691	1.9
125.09608	1.1
131.08543	0.8
133.10124	3.1
135.08066	5.5
135.11679	1.8
137.09608	3.6
137.13205	1.1
141.37764	0.5
145.10107	1.2
147.11684	1.9
149.09630	1.4
149.13246	2.0
151.11220	0.6
159.11658	1.7
161.13307	0.9
165.12764	1.0
167.14333	1.1
173.13225	0.6
176.58284	0.6
179.14313	11.8
196.46312	0.6
275.20096	2.0
289.25198	1.1
293.21121	19.2
307.22766	1.0
331.26447	3.8
345.16849	0.6
349.27380	100.0
350.27789	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01864	5.5
55.05508	27.6
57.03432	5.0
57.07078	8.7
65.03934	4.5
66.92035	3.4
67.05507	44.0
69.03441	5.0
69.07071	33.6
70.94369	7.5
71.04980	8.3
79.05503	42.5
80.49387	3.1
81.03453	4.0
81.07059	64.9
83.04961	7.1
83.08620	6.2
84.20346	3.3
91.05481	67.0
93.07047	72.9
95.04959	28.5
95.08611	55.4
97.06532	14.1
97.10167	3.3
97.79759	3.9
105.04510	3.6
105.07038	100.0
107.04978	5.8
107.08596	61.7
109.06501	17.6
109.10158	44.2
117.06997	24.5
118.61716	2.9
119.08586	85.1
121.06483	8.0
121.10155	85.6
122.25377	3.4
123.08080	20.9
123.11708	14.9
128.06242	9.8
129.07024	17.9
130.07808	7.7
131.08563	56.4
133.10123	48.4
135.08051	13.3
135.11678	20.4
137.09641	5.9
141.06969	5.6
142.07771	16.7
143.08562	34.3
144.09361	10.4
145.10117	59.5
147.08090	9.2
147.11662	18.3
149.09648	11.2
155.08525	13.8
156.09369	11.3
157.10129	42.1
158.10921	4.8
159.11723	28.3
161.09607	12.9
161.13280	11.5
163.11168	5.9
165.06967	4.6
167.08607	5.9
168.09416	7.1
169.10147	22.9
170.10867	6.6
171.11716	22.7
173.09688	4.5
173.13313	16.8
175.11145	5.6
175.14853	8.8
179.08548	9.0
179.14268	21.8
180.09413	3.8
181.10150	10.2
182.10919	4.9
183.11746	17.2
184.12471	4.2
185.13248	17.4
187.14789	19.1
187.96132	3.5
189.12787	3.6
194.10930	7.9
195.11725	15.5
197.13269	13.5
199.14850	12.0
201.12790	5.2
201.16359	6.5
208.12527	4.4
209.13246	28.0
210.13632	3.6
211.14841	10.7
213.12758	3.8
213.16353	3.8
221.13182	3.8
223.14865	6.6
225.16345	5.6
227.14293	10.9
233.13120	5.2
235.08720	12.0
237.16399	5.1
239.17981	7.7
240.18753	4.5
251.18016	7.3
263.08087	18.2
265.19562	4.1
275.20102	9.4
293.18878	6.7
317.12930	6.9
331.23990	5.3
349.11505	2.6
349.15494	54.0
349.24707	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30297	2.5
53.03936	9.5
55.01865	8.3
55.05510	29.7
57.03435	11.7
57.07072	5.7
65.03939	3.9
67.05506	46.6
69.07069	41.0
71.05001	5.5
71.49573	4.7
77.03925	5.0
79.05498	63.6
81.03426	3.3
81.07057	72.1
83.04967	6.4
83.08635	14.5
85.06599	4.3
91.05479	62.6
93.06484	4.9
93.07049	68.8
95.04964	23.5
95.08610	49.0
97.06536	16.3
97.10159	4.2
103.05510	5.3
105.04516	3.1
105.07037	100.0
107.04940	7.0
107.08593	78.5
107.86875	2.6
109.06531	24.7
109.10169	41.8
111.08050	6.1
115.05444	4.3
116.06238	3.7
117.07038	19.9
119.06140	3.3
119.08588	89.9
121.06488	7.7
121.10144	70.8
121.11024	2.6
123.08075	24.3
123.11716	11.6
125.09625	3.5
128.06233	10.3
129.07040	15.3
130.07855	4.1
131.08580	49.1
133.10141	46.9
135.08075	15.7
135.11707	19.4
137.09602	8.7
141.06989	5.3
142.07790	18.1
143.08553	26.8
144.09354	7.1
145.06514	3.6
145.10136	58.2
147.11708	26.0
149.09627	12.8
149.13268	6.0
153.07033	3.4
155.08574	13.4
156.09348	11.9
157.10147	42.1
158.10878	5.1
159.11714	23.6
161.09633	13.8
161.13264	10.4
163.11180	8.6
165.06982	4.6
165.12720	3.4
167.08548	4.8
168.09378	3.4
169.10138	21.2
171.08115	3.1
171.11650	17.7
173.09756	3.8
173.13257	22.4
175.11169	3.6
175.14870	10.2
178.55530	2.9
179.08566	8.4
179.14345	27.3
180.09337	3.2
181.10135	9.7
182.10889	7.8
183.11707	15.4
184.12379	3.3
185.09706	3.9
185.13280	10.6
186.13873	3.5
187.11255	3.1
187.14767	18.9
189.11281	3.1
189.12877	3.4
193.06801	2.7
193.10097	3.6
194.10995	6.6
195.11746	11.0
196.12456	4.7
197.13220	14.1
199.14854	10.2
206.08194	2.8
207.09258	3.8
207.11671	4.9
209.13319	13.8
210.14035	4.1
211.14839	10.1
213.16382	6.6
221.13228	3.8
223.14848	9.4
225.16417	6.2
227.14235	5.1
227.17992	3.0
229.19412	4.1
235.08649	15.6
235.14862	3.5
237.16414	4.4
239.18013	9.8
247.14766	2.9
251.17885	4.7
253.19551	8.0
255.17365	3.7
257.19052	7.0
259.93839	3.3
261.06558	6.3
263.08142	25.5
266.20172	3.8
267.21173	3.4
275.20102	23.5
289.13260	3.8
317.12839	10.1
331.24051	4.1
349.15472	66.1
349.24307	39.5
349.27502	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	349.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.3
55.01876	14.0
55.05518	33.0
57.03443	34.5
57.07061	4.8
65.03939	3.5
67.05512	81.6
69.03437	4.1
69.06737	4.8
69.07076	60.1
70.00476	12.3
75.06450	2.8
79.05502	76.1
81.03415	18.5
81.07066	85.1
83.04989	15.1
83.08622	14.1
83.83267	2.8
85.06541	6.7
91.05490	77.8
93.06492	4.2
93.07052	65.7
95.01338	9.8
95.04945	14.2
95.08619	57.9
97.06525	17.7
97.10188	6.1
99.04507	3.6
99.08099	5.5
103.40392	2.9
105.07037	83.8
107.04958	26.5
107.08601	42.4
109.06528	19.2
109.10172	17.4
111.08103	6.9
117.07021	36.5
119.06065	3.2
119.07807	4.5
119.08596	50.9
121.06506	9.6
121.10147	22.7
123.04408	3.7
123.08074	13.0
123.11694	7.4
125.09625	3.0
129.07030	7.3
131.08583	38.0
133.10153	50.7
135.08063	9.4
135.11707	15.1
137.09663	4.3
139.07582	2.6
141.07005	3.0
142.07759	2.9
143.08565	7.6
145.10150	29.6
147.07983	3.1
147.11693	20.9
149.09662	18.4
149.13268	9.2
151.11252	3.7
155.08595	4.3
157.10184	7.3
159.11696	25.4
161.09708	3.9
161.13289	12.3
163.11194	12.2
169.10168	8.4
171.11717	7.9
173.13269	7.9
177.12743	9.9
179.14333	23.2
181.46423	3.1
183.11702	3.9
197.13228	5.4
198.92375	3.0
207.09201	7.7
219.17456	53.1
220.17879	3.6
235.08670	19.5
239.17986	4.8
247.39003	3.5
257.19077	13.2
261.06686	9.0
263.08139	28.5
275.20044	57.3
277.09918	3.4
289.13376	3.2
317.12866	6.8
331.22495	3.6
349.11267	5.0
349.15497	100.0
349.23788	67.3
349.27606	15.5
350.15765	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01874	13.9
55.05515	24.2
56.96560	4.8
57.03442	15.6
57.07076	1.5
61.02911	3.1
65.03940	2.2
67.05511	39.5
69.03419	2.8
69.07069	28.2
70.06599	1.5
71.04980	1.9
71.10009	2.2
73.02895	1.6
79.05498	45.1
79.05968	2.1
81.03432	8.2
81.06596	2.4
81.07059	47.7
83.04981	4.1
83.08606	9.4
85.02895	4.2
85.06534	3.2
91.04904	2.3
91.05482	43.2
93.07044	36.5
95.01311	1.4
95.04985	9.2
95.08604	25.5
97.02872	2.6
97.06529	20.6
97.10177	2.9
99.04466	1.5
103.03912	1.3
103.05467	2.2
105.07032	50.5
106.07373	1.4
107.04948	10.4
107.08600	32.4
109.06536	9.1
109.10167	8.3
111.08080	4.7
113.09644	1.9
115.05396	1.5
117.07023	14.8
119.08576	29.7
121.04528	1.3
121.06519	4.2
121.10130	11.3
123.08073	6.4
123.11739	3.9
125.09630	3.1
127.03890	1.4
129.06982	5.9
130.07787	2.4
131.08563	24.0
133.06509	1.3
133.10123	25.3
135.08037	4.4
135.11694	10.4
137.09558	3.0
141.06999	4.0
142.07817	2.1
143.08563	7.0
145.06441	2.3
145.10124	27.6
147.08055	2.6
147.11688	18.6
149.09637	13.4
149.13251	5.8
151.11147	3.5
155.08565	2.2
157.10121	6.2
159.11702	20.1
161.13275	8.1
163.09944	1.9
163.11137	10.4
167.06999	2.6
169.10175	3.4
171.03233	1.3
171.11700	5.6
173.13239	10.1
175.11145	2.5
175.14781	2.0
177.12770	4.2
179.14337	7.1
180.72614	1.5
181.08600	4.6
183.11694	5.2
185.04858	1.7
185.13286	4.5
187.11205	2.3
187.14780	2.0
195.10130	4.0
195.11771	1.9
197.13234	2.9
203.14365	1.7
206.08368	3.6
207.09195	7.8
215.18005	1.7
219.17502	3.7
229.19496	4.1
235.08661	16.5
239.18031	7.1
247.12265	2.5
247.20599	2.2
249.13911	1.5
255.09091	1.9
257.18997	18.2
261.06537	13.1
263.08194	32.4
267.09064	10.4
269.10568	3.6
269.17767	1.8
275.16971	1.8
275.20078	38.6
285.10086	10.8
286.10562	2.1
287.11792	1.8
289.13327	4.6
317.12906	13.4
321.15817	1.6
331.22714	2.5
349.15491	100.0
349.23755	42.0
349.27518	4.3
350.15836	4.3
350.24026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49265	2.0
52.81732	2.1
53.03950	18.6
55.01873	22.8
55.05512	30.9
56.67406	2.3
56.96542	2.6
57.03196	2.5
57.03440	23.4
65.03923	5.5
67.05509	76.3
69.03419	3.2
69.07074	65.4
70.74135	6.4
79.05496	61.0
81.03426	38.7
81.07060	94.4
83.05000	14.9
83.08627	11.3
85.06532	5.4
91.05489	78.4
93.06499	4.1
93.07050	62.4
95.01336	23.7
95.04986	20.5
95.08607	61.0
97.06536	29.0
97.10210	4.5
99.08095	2.8
105.04504	3.0
105.07038	100.0
107.04961	38.1
107.08615	30.7
109.06515	12.8
109.10146	14.7
111.04412	3.3
111.08054	4.6
117.07034	26.7
119.08588	50.8
121.06516	9.8
121.10165	12.3
123.04419	2.6
123.08068	12.7
123.11652	3.8
125.09572	3.1
129.06981	6.0
131.08578	35.1
133.09138	3.7
133.10143	64.7
135.08055	8.1
135.11688	18.7
136.05174	2.3
139.07518	3.7
141.07016	6.4
143.08533	6.8
145.06532	5.4
145.10124	28.2
147.11679	23.7
149.09641	12.5
149.13266	9.8
151.11156	2.7
155.08514	2.7
157.10080	5.6
159.11682	27.7
161.13248	11.5
163.11140	6.2
165.09123	3.2
169.10152	4.9
171.11708	5.0
173.13286	5.9
177.12790	11.6
179.14319	31.5
183.11708	5.8
187.11166	10.7
195.29491	2.1
197.13312	2.7
205.12233	4.1
229.19514	3.2
235.08620	6.6
239.18112	2.5
247.20695	3.7
252.09671	2.3
257.19043	8.0
261.06476	3.5
263.08246	11.2
275.17328	4.5
275.20099	61.2
275.23157	3.0
275.72385	2.3
317.12756	6.5
349.15503	41.2
349.23727	38.8
349.27435	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14845	1.4
53.03949	15.2
54.63990	1.6
55.01881	15.7
55.05512	29.5
56.96589	2.2
57.03442	16.2
63.42419	1.5
64.44577	1.5
65.03941	3.4
67.05506	55.9
69.03437	2.7
69.07073	49.3
71.04979	2.2
71.49840	1.4
71.50280	2.8
77.03931	3.0
79.05019	2.2
79.05494	50.6
81.03419	26.4
81.07060	61.6
83.04991	10.6
83.08635	8.7
85.06551	3.5
91.05483	60.9
93.07047	51.7
93.07646	2.4
95.01335	15.6
95.04974	15.2
95.08612	40.7
97.06534	26.1
97.10163	3.7
99.08118	3.6
105.04517	2.9
105.07034	68.3
107.04955	30.6
107.08607	23.3
109.06519	6.7
109.10146	7.7
111.04495	1.9
111.08082	5.4
113.09698	2.4
117.07027	24.4
119.08588	40.3
121.06516	5.4
121.10145	12.5
123.04451	3.3
123.08064	9.8
123.11736	2.4
125.09648	2.2
128.06201	1.7
129.07021	4.6
131.08585	21.8
133.10141	46.2
135.08051	5.6
135.11705	15.7
137.09641	2.0
141.06995	3.0
143.08583	5.3
145.06505	5.9
145.10120	22.6
147.11705	16.7
149.09628	7.6
149.13245	9.9
151.11150	3.6
157.10164	4.8
159.11696	19.1
161.13258	7.3
163.11177	6.6
165.09111	3.5
167.08513	1.7
169.10100	4.1
171.11685	3.3
173.13301	2.5
175.14769	2.0
177.12769	8.8
179.14313	23.0
183.11700	3.2
187.11198	6.5
195.13847	2.8
197.13303	3.3
205.12288	2.2
206.08417	2.3
207.09222	7.3
229.19675	2.1
235.08667	18.2
239.17918	3.2
247.12335	3.2
247.20651	2.0
257.18967	8.0
261.06641	11.1
263.08154	37.0
267.09131	5.5
268.09341	1.6
275.20093	49.9
277.09671	3.3
285.10168	5.1
289.13321	3.4
317.12857	15.2
331.97208	1.6
349.15530	100.0
349.19858	9.2
349.23804	26.5
349.27710	3.2
350.15784	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	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.93797	0.7
55.05507	1.0
57.07076	1.6
58.06598	0.7
61.49755	0.7
64.77724	0.9
65.38557	0.7
65.92897	0.7
67.05505	1.3
69.07081	1.3
70.06589	1.1
71.06902	0.8
71.49296	1.5
79.05482	1.4
81.07053	2.1
83.08627	1.3
88.07627	4.1
89.07926	1.1
91.05459	2.4
93.07058	1.7
95.04993	2.0
95.08599	1.6
105.07024	2.6
107.08622	1.9
109.06542	1.3
109.10162	1.6
115.05425	0.9
119.08556	2.1
121.06476	0.9
121.10177	1.2
123.08067	1.2
124.51268	0.7
133.06627	0.9
133.10179	1.3
135.08063	3.7
157.10075	1.0
161.09648	0.9
168.53653	0.7
177.12746	1.8
178.06209	0.9
193.08566	1.1
224.65660	1.0
235.67686	0.8
246.93111	0.7
285.29840	2.0
299.31323	2.2
347.14359	2.5
347.21948	100.0
347.25543	3.6
347.33386	14.7
348.22205	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.4
58.99851	3.1
67.03762	2.6
67.83435	2.5
69.03438	5.0
69.60662	2.6
70.99844	4.6
71.48271	4.1
77.64935	3.0
82.17965	2.6
82.99837	12.5
85.02881	6.0
85.12627	2.4
86.99310	4.5
97.02889	4.2
101.00890	87.9
102.00951	3.6
107.04978	4.6
113.00854	53.5
115.02431	8.7
119.01918	66.2
126.98791	3.5
127.02423	11.2
131.01909	64.0
133.03458	10.4
136.06171	4.9
143.01920	34.2
144.99835	3.7
145.03534	15.9
149.02979	6.5
150.23862	3.1
153.03967	3.0
155.01877	24.1
157.03467	7.7
159.05147	2.9
161.02982	21.7
163.03857	15.6
168.99835	54.1
169.03464	23.1
169.06847	5.4
172.99295	7.4
173.02991	19.5
174.99184	4.0
175.04550	4.0
177.02394	4.2
180.99837	11.7
183.05017	3.2
185.02969	12.3
187.00909	39.6
187.04510	12.6
187.07890	4.3
189.02452	4.0
191.04091	5.1
196.99318	34.9
197.02950	4.9
199.00858	16.8
199.04477	5.1
201.02466	5.7
203.03983	6.7
213.02435	6.1
215.00374	89.2
215.03748	3.4
219.03534	7.5
221.03102	5.7
221.05109	18.0
223.36446	2.9
227.00375	5.6
229.01936	51.3
229.05638	4.4
231.03543	9.3
233.01530	5.4
233.05212	5.4
239.06073	13.4
239.87358	2.9
241.01959	10.9
241.05798	3.5
241.35738	2.7
247.02995	100.0
251.11581	2.9
259.02988	24.0
259.06589	4.8
277.04071	7.9
287.06155	10.9
289.03946	24.4
295.08704	3.6
303.05426	3.1
317.03665	21.3
331.05042	10.9
349.05118	2.5
349.09299	62.2
372.37927	3.1
373.85526	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	347.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.0
55.05500	3.2
57.07072	2.9
58.19666	1.0
67.05499	4.9
69.07059	3.1
70.80183	0.9
71.04990	0.9
71.48550	1.5
79.05499	5.2
81.07073	5.7
81.83960	0.9
83.04977	2.6
83.08615	1.7
85.06534	1.3
86.83708	0.9
88.07610	3.9
88.27650	0.9
91.05492	7.4
93.07031	3.5
95.04964	1.2
95.08629	4.8
97.06516	1.7
100.00549	1.1
102.09159	1.2
105.07035	5.2
107.08571	4.8
109.06503	3.0
109.10202	2.2
119.08568	3.1
121.10136	3.4
123.08074	3.2
129.06947	1.2
131.08580	2.1
133.06519	1.7
133.10147	2.8
135.08072	96.6
135.11679	2.0
145.10124	2.3
147.08067	1.6
147.11728	1.4
148.08873	1.8
149.09631	3.5
157.10223	1.7
158.54448	1.0
161.09656	6.9
161.10748	1.2
167.07156	1.2
173.13173	1.1
177.12775	39.3
178.06192	1.1
190.99165	1.5
191.14299	1.3
235.13039	1.1
285.29868	1.5
286.43716	1.1
291.19632	1.2
299.31421	1.5
329.24789	4.0
347.14075	4.8
347.21893	100.0
347.25861	79.0
347.33011	14.2
348.22266	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02934	1.1
62.10990	1.1
67.05505	1.6
71.49403	1.5
79.05496	1.4
81.07047	1.4
82.00322	2.3
86.34203	0.9
93.07048	1.5
94.73152	1.2
95.08655	1.1
103.81113	1.0
105.07018	1.5
107.04913	1.1
107.08638	1.5
109.06528	1.4
117.03128	1.0
119.08577	1.2
121.10175	1.2
131.08569	1.0
136.06354	1.1
157.82829	1.1
187.07312	28.1
187.08966	1.9
189.40916	1.0
201.08981	2.1
215.98610	1.1
221.11485	3.2
223.20213	1.2
229.11998	2.1
259.12451	3.7
260.17569	1.3
271.16690	2.6
273.14615	3.7
287.11899	2.1
301.14114	100.0
302.14404	1.3
329.17487	2.8
347.13995	7.4
347.18320	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.8
67.05504	4.1
69.07096	1.3
69.33073	5.5
69.33504	4.8
75.02198	1.3
79.05489	3.6
81.03407	1.4
81.07050	3.3
83.08627	1.6
91.05510	3.1
93.07046	4.1
95.04961	2.7
95.08599	2.8
96.64103	1.4
96.72733	1.3
97.06521	1.8
105.07034	3.8
107.04998	2.2
109.02836	1.5
109.06455	1.6
109.10162	2.6
113.18803	1.2
119.08545	1.5
121.06541	1.3
121.10146	1.8
124.27324	1.4
125.09628	1.7
133.10196	1.5
137.05824	3.1
137.09555	1.5
149.09628	1.4
151.07527	4.0
161.05969	1.6
163.03709	1.8
199.18991	1.4
207.13901	2.0
233.11476	2.5
244.09798	1.7
255.08984	1.3
259.12344	8.1
261.10971	2.2
273.18863	1.4
287.11679	1.5
299.26279	1.4
311.95633	1.4
329.17288	33.5
329.21112	2.5
347.14084	17.0
347.18307	100.0
347.22095	3.6
348.18872	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65396	0.7
55.05512	1.2
67.05509	1.3
69.03444	0.8
69.07060	1.0
69.48170	0.7
71.49728	1.2
79.05490	1.7
81.03412	0.9
81.07052	3.1
91.05469	2.0
93.07041	3.2
93.52043	0.7
95.04982	1.1
95.08593	1.4
97.06496	0.7
98.41891	0.7
105.07011	2.9
107.04881	0.8
107.08578	2.4
109.06522	1.5
109.10168	1.1
119.08601	1.3
121.06548	1.0
121.10158	1.1
123.08050	1.8
125.06015	0.8
131.08588	1.7
133.06451	1.1
133.10115	0.7
147.11716	0.8
149.09610	2.5
151.07552	3.7
161.06007	0.9
161.09612	0.9
167.06982	1.4
178.06236	1.2
189.12822	1.4
189.46371	0.6
190.13533	0.8
193.08611	1.5
207.13795	2.0
238.34142	0.8
244.09772	0.9
259.12387	4.1
287.11804	1.4
347.14017	11.7
347.18274	100.0
347.22028	4.3
348.18567	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	347.168
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
50.04289	0.3
52.65743	0.3
55.01863	0.4
63.27693	0.4
66.66360	0.4
70.66603	0.6
70.66943	0.9
72.02930	0.3
79.05492	0.5
80.76433	0.4
81.07046	0.4
86.56815	0.4
91.05502	0.8
91.72044	0.4
93.07025	0.5
95.62543	0.4
103.05489	0.4
107.04972	0.8
121.06553	0.5
121.61008	0.4
131.04942	0.5
137.06013	1.3
146.05962	0.4
161.06085	0.4
163.03912	0.4
163.07497	0.6
167.07022	0.9
169.69162	0.4
181.08713	0.4
185.11513	1.7
191.03433	0.6
255.07730	0.5
267.95053	0.4
269.08963	0.4
278.06458	0.4
283.10776	0.9
299.09055	0.5
311.10336	1.1
329.11261	2.1
343.21680	0.4
347.16779	100.0
348.17120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	2.1
59.04974	0.5
60.04527	0.6
69.03449	0.7
70.64601	0.7
70.64953	1.2
70.99874	1.0
76.92051	0.5
80.05042	0.5
81.03465	0.7
82.52138	0.5
82.99821	2.4
85.02924	2.1
89.03934	4.0
95.04989	0.6
97.02892	1.4
98.97601	0.9
101.00893	19.0
103.02471	0.8
107.04966	1.6
108.08109	0.6
109.02913	0.7
113.00882	2.4
113.03517	1.7
117.03387	2.8
118.23939	0.5
119.01934	20.4
127.02440	1.5
127.03889	0.9
131.01904	3.2
133.03448	1.2
135.04428	5.1
136.06181	3.8
137.03020	0.6
143.01917	100.0
144.02084	2.3
145.02820	1.9
145.03603	1.6
145.22636	0.5
146.03276	0.5
155.01932	2.3
157.03523	1.1
159.68079	0.5
161.02975	82.6
162.03200	1.1
163.03931	18.3
164.04228	1.0
169.03506	1.8
169.06131	0.8
173.03014	2.2
177.02446	0.6
179.02008	0.5
183.04987	0.5
184.04593	1.9
185.01395	0.7
185.02986	1.3
185.06625	2.0
185.09276	1.5
187.04507	1.3
191.07616	0.7
197.02994	1.2
197.06667	0.8
203.04028	42.3
209.02998	0.9
209.06648	1.0
218.99768	1.1
221.02980	2.2
221.05107	2.8
227.04196	0.7
227.07675	2.6
237.00781	2.9
237.02753	0.8
241.09306	0.6
245.05110	1.5
255.01729	2.2
263.03979	0.7
271.06494	0.9
275.06149	0.8
287.06454	0.7
287.09769	14.7
305.10782	2.0
329.06531	0.6
329.10645	0.8
339.05524	1.5
347.08249	0.9
347.12781	7.2
369.06586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1394
Annotation	3-Methoxyxanthocillin X dimethyl ether
Peak:m/z	Relative Intensity
50.02279	0.3
52.18494	0.3
55.05480	0.5
57.03433	0.3
57.07072	0.3
57.74796	0.3
69.23097	2.2
69.23512	0.8
72.49407	0.3
73.53725	0.3
75.92863	0.3
79.05499	1.0
81.03405	0.3
81.07070	0.7
82.91221	0.3
91.05470	0.5
93.07061	0.3
95.04947	0.4
95.08589	0.7
100.11265	0.7
101.06021	0.4
103.05441	0.4
103.72157	0.3
105.07046	1.9
107.04926	0.5
107.08595	0.4
109.06535	0.5
111.04453	0.3
115.05470	0.9
118.57315	0.3
119.08569	0.7
130.06592	0.4
131.08624	0.5
133.06525	0.6
133.10110	0.5
135.11717	0.3
137.05949	0.5
143.04958	0.3
144.08128	0.4
145.10152	0.4
145.30133	0.3
151.03949	0.3
153.07001	0.3
161.06020	0.7
163.03908	0.7
167.07156	0.9
171.11752	0.4
178.06262	1.4
193.08633	1.3
243.09229	1.4
244.09985	5.7
245.10739	2.1
246.11531	0.5
247.12274	0.6
256.09952	0.4
257.10675	1.5
258.11618	2.1
259.12317	38.5
260.12805	1.0
269.08191	0.4
269.10794	0.5
271.08768	0.5
271.12280	1.2
272.09384	3.9
273.04025	0.7
273.10370	0.5
274.11084	1.3
285.10309	0.6
286.10925	0.4
287.11804	12.3
288.12247	0.5
289.13327	5.4
300.08691	0.6
301.09940	0.7
303.11499	0.4
315.11234	4.5
317.09348	0.6
317.12830	3.7
319.14249	2.0
332.11493	0.6
347.13928	100.0
348.14185	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	347.074
Annotation	Limocitrin
Peak:m/z	Relative Intensity
53.02268	3.6
58.23011	3.8
58.94574	3.8
70.39549	8.0
70.39915	8.2
73.02925	3.6
85.02884	13.0
97.02907	5.4
119.58741	4.1
134.78702	3.9
161.02873	4.4
227.03973	4.4
318.56265	4.3
325.25635	4.9
347.07431	100.0
351.11307	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69457	7.2
55.05505	25.6
57.94547	8.1
63.98717	8.1
66.51869	7.1
67.05510	100.0
69.07068	18.9
69.33047	61.5
78.21638	7.9
79.05502	25.9
80.42587	7.2
80.70840	7.5
81.07057	35.8
83.08620	10.4
91.05471	17.2
93.07052	26.1
95.08595	28.2
97.10154	23.0
105.07047	24.5
107.08595	30.0
109.10168	75.3
112.81107	6.8
117.07001	9.2
119.08559	11.9
124.81250	7.1
125.09634	16.0
133.10081	12.9
155.10667	35.8
171.10185	8.1
173.11737	89.7
189.11154	11.6
235.12079	9.4
275.20102	44.8
346.05829	9.2
347.14307	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	347.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.8
61.02914	5.5
69.03411	7.8
69.85789	6.0
69.86180	4.7
70.42828	2.2
73.02911	3.0
81.03407	8.2
82.99839	3.2
85.02904	18.6
89.03909	3.0
97.02912	11.9
98.20859	4.4
98.97594	5.8
101.00883	14.7
101.30959	2.1
109.02806	3.3
110.97567	4.0
113.00849	7.7
115.02435	5.3
119.01914	13.7
124.23946	3.0
125.00906	3.0
127.02416	5.7
127.03915	6.5
131.01904	10.1
133.03430	5.1
136.06171	2.3
142.03030	2.5
143.01971	13.3
145.03464	8.9
145.04997	3.0
155.01923	18.1
157.03473	7.2
161.02972	9.2
163.03900	9.6
167.01888	4.1
169.03471	4.9
171.01381	3.7
171.05026	6.8
173.02983	12.6
175.04550	3.1
176.06073	5.2
177.00931	3.5
179.00641	3.6
185.02954	10.7
187.04507	3.7
191.02258	2.4
197.02988	5.2
201.00703	3.6
203.00696	8.7
203.03995	8.8
209.03081	3.7
213.02518	4.3
219.01868	3.8
221.01872	7.3
221.05072	8.3
227.04034	5.4
231.03558	2.9
245.01805	10.0
245.05080	6.6
251.04349	5.1
257.01828	11.1
257.04816	3.7
263.02963	5.3
275.02875	6.7
275.06024	3.5
287.06009	3.2
301.03885	3.4
315.05609	5.6
317.09030	14.0
327.97626	2.4
329.07458	3.7
333.06656	4.2
347.07434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86217	26.0
73.20238	4.9
79.84074	4.9
79.93328	4.8
88.13130	4.9
90.92976	4.6
91.05506	5.6
103.05476	24.1
107.04960	8.5
111.16104	5.0
117.06988	6.0
121.06492	9.0
122.03654	7.0
128.06245	4.8
131.04959	31.7
131.05801	6.3
137.05998	73.2
144.08078	18.9
151.07541	16.5
162.06660	7.1
163.07564	54.1
175.07596	7.6
177.09128	100.0
191.06998	19.6
195.08217	6.1
195.10143	8.4
203.10442	4.7
210.06715	5.3
216.22853	4.9
221.11783	6.8
225.09100	7.8
267.10248	6.7
269.08109	6.4
285.11334	10.6
295.09720	7.8
299.09177	12.2
313.10648	37.7
327.12247	5.9
345.06363	24.8
345.13504	23.4
365.58511	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	345.0606
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
66.18366	0.3
70.93826	0.5
74.44015	0.3
74.80424	0.3
83.93741	0.3
88.21195	0.3
103.05452	0.5
105.07009	0.4
107.04819	0.3
109.62793	0.3
114.01385	0.4
115.05442	0.9
117.06969	0.4
131.04926	1.2
137.05992	1.1
143.04947	0.4
145.06488	1.4
147.04361	1.0
155.04889	0.6
158.03654	1.0
159.04469	0.4
161.05969	0.5
170.03642	0.6
171.04457	1.0
171.93829	0.4
173.05974	1.8
175.03931	1.0
185.02272	0.6
185.06001	0.6
186.03154	1.9
187.03928	0.8
191.06984	0.5
192.07800	0.4
193.00119	0.4
197.02359	0.5
198.03120	0.9
199.00322	0.4
199.03932	1.4
201.05495	3.8
203.03398	3.0
212.01050	0.5
214.02617	3.0
215.03384	0.9
218.05815	0.4
225.01848	0.5
227.03406	0.6
228.04083	1.9
229.04958	3.3
231.02928	3.7
241.01331	3.0
242.02084	7.0
243.02946	0.8
245.04433	0.5
246.05457	0.5
256.03735	1.6
257.00531	0.4
257.04550	1.3
259.02362	4.2
260.03238	0.4
267.10257	0.5
269.00845	3.1
270.01639	4.2
271.02429	1.6
274.04715	1.3
284.03186	1.0
285.03931	12.9
286.01089	0.9
286.04343	0.7
287.01862	10.7
297.00363	2.1
299.01865	2.8
299.99072	0.9
300.02286	0.6
301.03375	1.9
302.04108	0.6
312.02710	1.9
313.03433	34.6
313.10748	1.4
313.36313	0.4
314.00836	0.5
314.04153	3.3
315.01358	26.5
316.01917	1.3
327.12335	0.4
329.03015	3.5
330.03723	33.2
331.04153	0.8
345.06067	100.0
346.06464	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1336
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03948	1.5
53.30548	1.2
55.01862	2.8
55.05513	10.4
57.03418	3.5
65.03939	6.2
67.05510	6.8
68.02657	1.6
69.07075	7.8
69.52066	2.1
69.52469	8.4
71.04979	1.5
79.05480	3.8
81.03409	1.3
81.07052	8.9
83.04978	1.3
83.08604	4.8
85.02928	2.1
91.05490	5.0
93.03405	3.6
93.07042	2.8
95.08605	8.0
96.02106	6.0
97.06538	2.4
97.10173	4.3
105.07026	1.9
107.01312	2.0
107.04944	1.5
107.08592	2.6
109.10147	4.3
111.04445	28.8
115.05447	3.2
117.07040	1.7
119.08600	2.6
121.02863	1.5
121.10156	3.7
123.11725	1.3
129.07021	3.0
131.04921	2.2
133.10181	2.0
135.11761	1.6
137.02289	2.5
137.05977	9.5
139.03900	17.0
143.04924	1.9
143.08565	1.8
144.05721	2.4
145.06502	4.8
147.04424	1.4
151.03960	1.5
151.07629	1.7
152.06230	2.0
153.05467	2.4
153.06987	6.1
154.07645	1.5
155.04884	1.7
155.08536	2.9
156.33060	1.3
157.06516	4.7
159.08031	6.8
160.08817	6.7
161.05989	6.7
161.09615	3.4
162.06758	2.7
163.04124	1.6
165.05725	1.3
165.07048	5.9
166.07715	1.8
167.03377	5.9
167.07121	2.0
167.08513	3.1
168.05748	5.6
169.06483	4.4
170.07227	1.6
171.08057	2.6
174.06693	1.6
175.07541	2.6
178.07829	4.8
179.08548	7.2
181.06453	7.9
182.07278	2.6
183.04437	2.1
183.08052	4.7
185.06013	6.3
185.09621	2.6
187.07539	5.9
188.08321	9.1
189.09138	3.1
190.07964	1.7
191.07007	3.5
191.08572	1.8
193.06593	1.9
195.08067	6.9
196.05193	5.4
196.08858	5.6
197.06024	5.6
197.09637	3.0
198.06752	20.7
199.07520	3.5
200.08295	3.7
201.05641	1.4
206.07295	3.3
207.08086	9.6
208.08806	2.6
209.06032	4.6
209.09685	1.6
210.06766	5.4
211.07558	11.4
211.11223	6.1
212.08250	2.5
213.05444	9.0
213.09055	4.2
217.19530	2.1
221.06064	2.2
221.09645	5.0
223.07573	8.1
224.04739	3.5
224.08383	10.4
225.05490	3.2
225.09120	5.2
226.06284	9.1
227.07040	4.9
228.07802	6.8
234.06827	2.5
235.07521	6.8
236.08235	2.3
237.05360	2.5
237.09183	3.3
238.06256	3.1
238.09865	9.9
239.07042	21.5
239.10670	14.2
240.07874	11.4
241.04984	5.8
241.08620	15.8
243.06552	17.4
243.10178	1.6
249.09163	3.9
251.07155	2.9
252.04092	1.9
252.07719	7.2
253.04903	2.4
253.08710	11.0
253.12195	4.5
254.05688	1.7
255.06555	4.0
255.10251	3.3
256.07288	17.2
256.11176	2.1
258.08783	1.8
267.06537	5.9
267.10175	30.5
268.07318	21.7
268.10538	2.4
269.08081	28.1
270.08853	2.4
271.06161	1.8
271.09729	4.3
271.13284	4.4
277.08649	2.8
281.08194	3.8
281.11765	3.9
284.06854	5.9
284.10480	9.6
285.11179	4.6
286.08310	9.1
295.09662	9.9
296.10428	11.4
299.09171	100.0
299.12790	20.2
300.09460	1.6
309.11270	1.8
312.09900	2.7
313.10648	26.9
314.11359	2.5
317.13815	3.7
327.12286	82.6
327.25412	6.3
330.10785	2.6
345.13333	50.9
345.26578	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	345.0607
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
55.05510	0.8
60.05841	0.8
62.81956	0.7
64.72193	0.6
67.05502	2.0
69.03432	0.8
71.47848	1.0
71.48198	1.0
79.05510	1.0
81.03414	0.8
81.07056	1.5
85.02901	0.9
91.05512	2.2
93.07059	2.3
94.86431	0.8
95.04969	1.5
95.08594	1.2
103.05489	0.7
105.07048	2.2
107.08604	1.0
109.06498	1.0
109.10165	1.4
115.05467	0.8
117.07056	1.0
119.04956	0.6
119.08583	1.7
121.10144	0.9
123.08104	0.7
131.04926	2.1
131.08600	0.8
133.10138	1.9
137.05989	2.2
137.09633	0.8
145.06488	1.8
147.08066	0.8
159.04466	1.0
161.05977	0.7
165.09119	1.2
171.04424	1.1
173.05940	1.6
175.03973	0.9
181.05014	0.7
185.05975	0.8
186.03111	1.5
191.07071	1.4
199.03908	1.2
201.05534	2.7
203.03409	2.4
213.01532	0.8
214.02602	2.0
215.03452	1.3
219.17505	1.0
229.04970	3.3
229.07503	2.7
231.02901	3.8
237.60080	0.9
241.01355	1.6
242.02127	4.9
243.02805	1.3
247.08560	1.5
256.03751	1.0
259.02359	3.4
267.09070	1.4
269.00873	2.5
270.01675	3.7
284.03043	0.8
285.03989	8.8
285.10257	1.1
286.01224	0.9
286.04630	0.9
287.01904	9.8
297.00351	1.8
299.01807	1.6
301.03549	1.6
302.04144	1.1
312.02740	2.1
313.03433	31.5
313.10742	2.5
314.04160	1.5
315.01358	25.9
316.02151	1.1
329.02930	4.3
330.03729	28.7
330.07007	1.1
337.14691	0.8
345.06079	100.0
345.12976	4.7
345.20618	2.0
346.06421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.2
57.03434	10.2
67.05498	23.1
69.07066	30.4
71.05002	17.1
79.05506	32.1
81.03426	17.8
81.07055	30.4
91.05481	24.1
93.07053	24.1
95.04981	14.9
95.08604	20.6
97.06538	100.0
98.21522	18.3
100.37616	6.3
105.07024	17.3
107.08589	10.4
109.06509	9.0
109.10152	9.6
115.07546	26.2
116.10664	7.4
117.06985	11.6
119.08606	10.4
121.10165	13.1
131.08612	11.7
131.94107	6.9
133.10094	8.1
135.08014	7.2
145.10158	7.3
149.57568	6.9
151.64346	7.2
228.99933	7.5
291.19556	9.6
349.21036	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	345.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02987	3.0
51.95330	2.4
59.20008	2.5
67.05516	3.1
69.03441	4.2
70.35267	2.6
71.48231	3.6
80.50941	2.8
81.04802	3.0
81.10033	2.7
83.04990	7.1
85.02892	6.9
85.30235	2.7
87.04447	3.3
92.24265	2.9
95.04965	4.6
97.02919	4.1
98.98490	8.9
101.00909	3.5
111.04427	5.0
119.01865	2.9
121.02873	8.4
127.02422	6.9
129.15201	2.9
139.03923	7.3
145.03505	14.2
145.04521	2.8
158.97250	5.7
169.03552	5.4
177.00963	9.9
180.03831	3.1
182.97252	4.3
182.99774	4.7
183.04790	3.2
183.49567	3.5
184.98680	3.1
190.96321	3.1
192.00067	3.5
192.99925	3.5
198.00703	2.9
198.98546	3.3
200.98334	13.2
201.00926	10.0
207.01321	4.7
208.98946	3.1
212.98390	5.9
214.96538	7.4
215.00275	6.9
215.03992	7.5
216.00116	4.6
219.02032	100.0
220.02205	3.2
221.03085	3.0
222.97693	6.5
224.98326	6.3
230.99385	3.3
237.47647	4.8
238.95667	2.9
242.03792	3.9
242.99402	11.0
245.97961	4.5
249.01711	4.3
254.98666	3.4
255.98329	4.1
256.97427	17.7
259.97528	7.5
276.92087	7.2
279.91919	3.6
279.99014	6.6
280.91779	6.3
284.01758	6.7
284.90845	4.3
285.00854	4.5
289.98782	4.4
294.93344	4.4
296.92923	4.0
297.93039	3.8
298.92807	5.1
298.94266	3.3
298.97937	44.1
303.01376	3.5
305.99081	3.8
314.99628	4.0
315.49823	4.8
324.00076	11.0
324.50256	5.4
333.00568	9.9
333.51071	3.4
334.00449	7.1
334.91019	3.6
339.94116	4.8
342.01501	3.9
344.48871	5.0
367.83545	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00575	7.2
53.03942	12.7
55.01874	16.2
55.05509	56.9
56.31345	6.6
57.03437	20.0
67.05508	100.0
69.03413	9.1
69.07057	25.4
70.52873	24.3
71.01344	14.6
71.04987	10.1
79.05496	80.4
81.03423	26.9
81.07063	73.0
83.04973	20.9
83.08629	27.5
85.06541	11.2
86.13847	9.9
91.05489	52.6
92.32255	6.7
93.07047	84.8
94.07420	8.1
95.04979	31.5
95.08614	62.3
97.06511	10.8
97.10165	21.9
103.05353	7.9
105.07021	42.9
107.08597	58.1
108.08894	9.3
109.06541	13.4
109.10159	29.0
109.85373	6.9
110.10509	13.8
111.08094	9.7
117.07015	14.8
119.08590	41.9
120.08852	7.6
121.10123	20.6
123.08116	12.4
125.09639	16.3
129.07018	14.4
131.08609	13.2
133.10133	29.7
135.11594	7.1
137.09604	7.5
145.10103	13.2
146.10414	8.0
147.11604	13.6
148.41101	7.7
151.07497	6.4
154.00052	7.2
157.10193	8.4
173.11636	9.8
189.11205	11.5
189.16434	12.0
190.16719	23.2
192.18359	8.4
194.13116	10.0
275.20023	15.8
300.63824	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	344.1493
Annotation	11-O-Acetylhaemanthamine
Peak:m/z	Relative Intensity
53.03941	0.8
61.11484	0.4
65.03929	0.7
70.06567	0.4
70.45754	1.4
71.18922	0.4
71.65637	0.4
81.03391	0.5
89.06030	1.8
91.05490	5.9
93.07041	1.0
95.04977	12.8
98.21423	0.5
103.05472	2.0
107.04981	1.1
109.06539	0.7
110.06048	0.4
118.06564	0.7
119.04949	26.0
120.08112	100.0
121.06499	1.6
121.08461	0.8
123.04436	39.4
127.81947	0.5
131.04907	0.5
133.08638	1.3
135.04449	0.5
137.05994	1.9
147.04413	15.5
148.07558	1.4
162.83049	0.5
163.03928	0.5
164.04234	0.7
165.05475	10.2
180.10202	7.1
284.12823	44.0
285.13126	1.2
344.14957	48.4
345.15317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.1
55.05505	21.8
57.03436	13.6
65.03927	13.7
67.05503	44.5
69.07065	81.3
69.66000	13.1
71.04987	29.1
71.48967	11.6
73.02940	14.0
74.89768	11.6
79.05502	69.9
81.03425	23.2
81.07065	73.2
83.08602	16.8
85.02896	12.9
86.25079	12.5
91.05475	29.8
92.21745	11.7
93.07056	57.4
95.04961	38.4
95.08607	32.0
97.06539	100.0
99.08121	15.2
105.07028	44.0
107.08624	39.4
109.06496	33.5
109.10150	15.5
115.07558	63.7
119.08572	17.7
121.02196	13.1
121.10114	17.0
123.07912	15.3
125.09690	10.7
131.08585	20.5
133.10150	19.3
134.93140	12.6
135.11702	25.3
143.08598	16.5
159.11725	20.3
195.13980	13.8
253.76276	12.1
289.39703	11.8
291.19489	18.0
304.98996	12.3
306.09933	12.0
327.09933	11.6
344.14862	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
61.02943	1.6
69.03428	2.7
69.59305	7.0
74.04930	1.0
79.39481	1.1
81.03429	1.4
85.02905	16.2
91.05474	5.0
93.92705	1.1
95.04993	1.7
97.02906	2.2
98.20767	2.2
107.04941	1.0
109.02810	1.4
110.07017	1.0
112.82689	1.0
119.04951	20.0
120.08110	11.4
123.04434	7.7
127.03948	2.8
137.06010	1.7
145.04990	3.2
147.04422	100.0
161.62170	1.2
165.05490	47.9
182.08116	1.8
190.72589	1.2
284.12756	5.4
344.14859	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	344.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.17300	0.6
55.76681	0.8
70.41482	0.6
70.81561	1.3
89.06032	2.4
91.05480	5.7
95.04977	13.1
103.05466	1.8
105.04564	0.7
105.75322	0.7
109.06558	0.9
119.04950	22.2
120.08113	100.0
121.06482	0.9
121.08462	0.8
123.04437	39.4
133.08682	1.7
137.06036	0.8
143.23724	0.7
147.04428	14.7
148.07544	1.0
165.05502	10.8
180.10216	7.6
220.15187	0.5
284.12823	41.1
285.13113	1.2
327.19925	0.9
344.14957	45.8
345.15240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1494
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
53.03942	1.4
53.54278	0.5
59.43441	0.4
67.05525	0.5
71.49045	0.6
77.03937	0.6
79.05499	28.9
91.05472	1.0
93.07044	2.5
95.04990	1.3
103.05474	65.5
104.05756	0.6
105.04473	0.6
105.07037	3.2
107.04961	30.3
118.06538	2.7
120.08116	32.9
121.06499	1.7
122.06033	0.9
131.04938	21.7
132.05273	0.7
132.08090	0.5
135.04436	0.5
136.07559	2.5
137.06000	3.3
146.06012	1.2
149.06013	2.0
153.01817	0.8
164.07072	21.9
196.09688	7.3
266.11847	0.6
268.13367	18.1
283.09262	0.8
311.08731	0.7
312.12347	15.9
344.14966	100.0
345.15686	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07660	0.8
52.50747	0.9
55.01883	1.1
61.02924	1.6
62.23964	0.8
65.54935	0.8
69.03412	3.4
70.06577	3.2
70.43221	3.7
75.34216	0.7
81.03401	2.4
84.76236	0.8
85.02441	1.3
85.02909	16.2
91.05485	5.9
91.15705	0.8
93.44041	0.8
95.05002	1.4
97.02890	4.2
98.97585	1.6
99.04417	0.8
109.02839	1.7
117.09196	1.0
119.04945	20.8
120.08086	3.6
123.04431	3.3
124.03993	0.9
127.03911	4.3
135.04387	2.1
145.04958	2.9
147.04419	100.0
148.04709	1.1
148.32561	0.8
163.03865	3.1
165.05484	52.4
180.08682	1.2
190.39702	0.8
239.02792	0.9
260.08997	1.1
284.13025	1.1
328.22906	0.9
344.14746	1.6
344.20569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2272
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03944	6.9
55.01869	3.5
55.05522	18.9
57.03432	8.1
57.07065	9.7
59.05003	6.3
67.05518	33.6
69.03423	8.1
69.07079	5.9
69.22621	11.0
69.23042	15.3
71.05000	30.5
76.91660	3.2
79.05505	27.0
81.03416	3.7
81.07056	33.1
83.04983	4.8
85.06561	4.5
91.05499	41.2
91.50808	2.8
93.07060	82.3
95.04978	69.7
95.08619	84.8
97.06523	19.0
98.21571	7.0
100.54313	2.8
105.07047	87.3
107.04954	3.1
107.08610	61.1
109.06555	20.1
109.10155	5.7
115.05466	6.3
117.07030	34.5
119.06048	3.9
119.08600	34.5
121.06552	21.1
121.10129	19.9
122.07262	3.9
123.08096	30.5
128.18718	3.3
129.07022	7.1
130.07808	23.3
131.08591	10.5
133.06519	9.4
133.10155	14.5
135.08066	35.4
135.11705	18.0
137.05899	3.1
137.09631	5.3
142.07701	4.4
143.08601	16.4
145.06516	3.8
145.10143	100.0
147.08034	15.0
147.11757	6.2
149.09634	7.6
151.07568	47.9
153.09120	4.3
156.09337	4.9
157.10103	8.5
159.08080	6.7
159.11710	10.2
161.09637	12.3
161.13243	4.2
163.11217	74.6
165.09132	29.9
167.08589	4.4
169.10213	4.7
171.11684	8.3
173.09590	4.4
173.13298	5.6
177.09102	5.1
179.07008	8.7
183.11740	3.7
185.13269	6.6
187.11142	3.4
189.12735	11.9
191.10602	2.8
195.11685	4.8
197.13211	3.9
201.12444	2.9
203.14386	13.0
207.11897	3.1
207.13799	5.7
209.13133	3.2
221.15367	31.9
225.12807	3.5
233.15471	3.4
240.23387	3.7
241.15686	3.9
263.16422	10.1
269.15433	4.9
286.19144	5.1
287.16412	3.8
325.21649	11.2
343.22714	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	6.3
53.76160	1.5
55.01875	9.3
55.05511	18.5
57.03441	10.7
57.07064	7.5
57.99011	1.7
59.04987	5.4
62.05192	1.8
65.03925	2.0
66.40063	1.8
66.70113	1.7
67.05506	28.2
69.03439	14.5
69.07056	7.9
71.04993	25.2
71.29079	1.8
79.05064	2.9
79.05493	30.7
81.03423	3.2
81.07056	30.4
81.43079	2.0
83.04974	7.9
83.08613	3.4
85.06540	5.7
91.05473	44.8
93.07045	81.6
95.04975	64.8
95.08609	100.0
97.06525	19.4
103.05474	2.8
105.07034	89.7
107.04950	4.7
107.07884	3.5
107.08597	62.4
108.05753	3.0
109.06525	19.6
109.10168	6.0
115.05416	9.0
116.06245	2.5
117.07016	37.6
119.08588	30.1
121.06499	16.8
121.10133	18.2
122.07275	3.7
123.08078	36.1
125.05993	3.8
128.06229	3.0
129.07004	7.4
130.07784	21.9
131.08594	12.8
133.06480	7.6
133.10130	15.5
135.08064	28.0
135.11694	15.1
137.05988	2.9
137.09631	6.9
139.07440	1.7
142.07796	4.8
143.08572	12.1
145.06520	3.6
145.10129	96.2
147.08046	17.1
147.11674	5.4
149.09615	8.2
151.07549	53.1
151.35384	1.8
152.72534	2.0
153.09111	4.3
155.08568	4.1
157.10130	13.2
159.08028	5.8
159.11728	9.1
161.09569	9.7
161.13271	6.1
163.07507	3.4
163.11191	70.1
165.09135	20.1
169.10095	4.8
171.11685	8.0
173.09653	5.6
173.13272	7.4
175.11218	6.2
175.14864	2.4
177.09125	5.5
179.07050	4.5
179.10637	2.3
181.10132	3.7
181.12259	4.0
183.11703	4.1
185.09622	2.7
185.13283	3.5
187.11165	6.3
187.14845	3.0
189.09039	2.8
189.12784	13.4
191.10748	2.3
191.14294	2.9
195.11754	2.9
197.11647	2.0
197.13258	4.1
199.11111	3.1
201.12772	2.9
203.14291	10.2
207.10117	2.1
207.12112	1.8
207.13837	8.4
209.13306	3.4
209.15324	4.8
215.14246	5.0
217.12134	3.4
221.13399	3.4
221.15408	34.7
223.14883	2.6
225.12677	3.3
225.16241	2.2
227.14336	1.8
228.91054	1.9
233.15421	4.9
243.13972	1.9
244.14586	2.2
245.15292	2.1
263.16528	7.7
269.15424	5.1
271.16791	2.0
286.19202	6.7
287.16544	2.0
287.19943	2.0
307.20523	2.2
325.21719	12.5
343.04425	2.1
343.11664	3.4
343.22687	91.1
344.22870	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	6.6
55.01863	6.6
55.05272	1.8
55.05512	21.9
57.03436	11.9
57.07066	9.0
59.05009	9.6
65.03947	3.2
67.05505	34.8
69.03436	13.2
69.07072	9.3
69.42680	10.0
71.04996	24.7
77.03896	1.9
79.05499	32.6
81.03407	5.0
81.07066	33.4
83.04965	7.2
85.06530	6.5
88.19530	1.6
91.05484	45.0
93.07050	86.9
95.04975	73.1
95.08611	91.3
95.79742	1.7
97.06530	22.4
103.05475	3.2
105.04582	2.5
105.07036	100.0
107.04961	4.0
107.08601	63.9
109.06511	19.1
109.10141	7.1
115.05460	10.1
117.06235	3.0
117.07022	38.3
118.30940	1.7
119.08589	36.7
121.06516	18.1
121.10149	23.6
122.07269	2.2
123.08065	32.2
123.11731	2.4
125.06006	2.6
128.06227	4.7
129.06992	8.8
130.07797	21.7
131.08582	10.3
133.06499	8.5
133.10126	20.4
134.07217	2.1
135.08060	34.5
135.11694	15.2
137.05914	2.5
137.09654	10.2
141.06978	4.0
142.07745	4.6
143.08540	14.2
145.06465	2.7
145.10124	97.4
146.07198	2.4
147.08076	16.8
147.11745	4.9
149.09636	6.1
149.13235	2.4
151.07556	56.9
153.09105	4.1
155.08511	3.8
156.09360	3.8
157.10149	9.5
159.08067	3.2
159.11705	10.9
161.09618	10.4
161.13255	6.0
163.11194	90.0
165.09137	25.2
167.08542	2.8
167.10703	1.6
169.10202	4.3
171.11705	6.6
173.09612	5.7
173.13234	4.2
175.11169	3.7
177.09128	7.6
179.07039	6.8
179.08417	1.7
179.10649	2.5
181.10112	3.2
181.12280	2.1
182.10774	1.9
183.08156	1.7
183.11676	5.0
185.09714	4.6
185.13268	3.4
186.10550	1.7
187.11174	5.3
187.14931	2.0
189.09103	2.0
189.12733	14.0
191.10608	2.6
191.14278	6.0
193.08621	1.7
193.12219	4.7
195.11722	3.2
196.34315	1.8
197.13225	4.6
199.11177	2.0
199.14915	2.1
201.12718	3.2
203.14334	13.9
207.10088	3.4
207.11955	2.0
207.13808	7.7
209.13362	3.6
209.15392	4.4
213.12735	2.9
213.16458	2.2
215.14287	5.1
217.12230	3.4
221.13571	1.6
221.15373	34.3
223.14836	2.9
227.14272	2.8
233.15413	3.0
240.23175	2.5
241.15823	2.9
243.13849	2.1
245.15514	1.9
259.65909	1.7
263.16364	11.3
269.15414	4.1
274.19211	3.7
286.19290	5.8
287.16638	2.6
287.20059	3.6
307.20587	2.6
325.21588	12.4
337.02951	1.8
343.11655	2.8
343.22672	88.8
344.23102	1.9
346.32419	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2119
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
53.03940	7.1
54.27015	3.9
55.01879	26.5
55.05241	4.5
55.05513	88.1
57.03438	17.8
64.51553	4.4
67.05504	56.5
69.03426	14.0
69.07065	36.9
69.38699	34.1
71.04995	9.5
79.05493	57.5
81.03426	7.6
81.07058	47.8
81.41331	5.0
83.04984	23.8
83.08624	56.1
84.22546	4.1
85.02904	7.9
85.06522	10.3
91.05485	25.5
93.07043	44.0
95.04980	25.2
95.08620	27.2
97.02882	8.4
97.06533	17.6
97.10166	100.0
103.05530	5.8
105.07034	19.0
107.04948	18.2
107.08594	39.9
109.06541	17.5
109.10162	25.0
111.04433	7.4
111.08085	9.0
113.05991	6.0
115.07536	6.8
117.07033	15.5
119.08588	17.2
121.06513	29.6
121.10154	15.0
123.04430	4.5
123.11754	4.5
125.09636	79.3
127.07616	6.1
128.06174	4.6
129.06990	10.3
131.04926	4.7
131.08577	9.3
133.10114	8.3
135.08060	18.5
135.11696	14.9
137.05992	29.2
137.09630	42.5
139.07544	37.9
144.08096	44.3
145.06383	5.8
145.10139	15.0
147.04477	5.8
147.08025	5.3
147.11702	8.4
149.05952	4.2
151.03891	9.8
151.07477	4.1
153.05505	5.1
153.06952	4.6
153.09143	10.3
155.10716	12.4
157.10126	5.1
158.55612	4.2
159.08064	36.7
159.11716	6.1
160.07555	12.2
161.05969	9.8
161.09618	5.5
163.03857	4.4
163.07576	11.6
163.11179	14.0
167.07045	13.2
171.10208	13.4
171.11589	4.8
173.09644	7.6
175.14827	4.7
177.09111	7.3
181.06531	4.5
181.08633	6.3
181.12268	5.8
187.30046	4.2
189.09106	11.2
189.11224	75.6
189.12915	4.4
191.10689	5.3
193.12274	6.1
193.87383	4.0
195.63438	4.3
211.07570	5.5
211.13213	8.8
212.72377	4.7
221.11760	4.7
223.07521	4.9
227.06853	4.5
227.12553	4.8
235.16972	27.7
237.14877	8.6
239.06857	4.5
247.62056	3.8
249.14975	4.6
251.20045	10.5
253.15749	9.5
253.18040	10.1
257.08127	5.3
267.06381	4.4
271.16901	18.5
282.08905	13.1
289.17975	62.4
307.14423	12.9
307.19012	36.6
311.12781	6.3
315.12082	5.8
325.15125	13.9
325.19986	5.8
328.09625	4.9
343.11740	32.4
343.15948	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82761	9.6
55.01861	20.3
55.05503	35.5
57.03431	10.1
67.05516	97.6
69.07066	27.0
69.25124	100.0
71.04974	19.6
74.90553	9.7
76.36502	9.8
79.05485	42.4
81.03423	15.5
81.07038	47.0
83.08608	12.0
91.05477	36.4
93.07050	78.1
95.04974	61.6
95.08613	63.9
96.05762	10.6
97.06528	24.9
97.10119	13.5
105.07047	55.0
107.08591	47.4
109.06507	31.0
109.10133	47.3
117.07050	13.6
119.08577	27.8
121.06487	13.2
121.10112	26.1
123.08054	15.8
125.09603	17.0
133.06445	12.8
133.10097	14.0
135.08031	17.1
135.11630	13.2
137.05896	10.2
137.09613	30.1
145.10097	36.9
147.08163	12.9
151.07591	18.8
155.10684	70.7
155.11734	12.3
163.11188	17.0
177.68008	11.3
189.11230	11.5
204.29280	9.8
225.16446	9.3
239.12579	10.7
289.17874	17.1
343.15399	19.6
343.22647	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
53.96399	0.8
54.15554	0.8
55.01865	1.5
55.05508	1.4
57.03422	3.7
57.07061	1.1
61.02931	5.3
65.93351	0.8
67.05518	1.1
69.03428	16.4
69.07039	1.1
69.72054	4.1
71.04988	2.6
73.02903	2.5
79.05489	4.1
81.03419	5.6
81.07060	8.1
82.75128	0.8
83.04989	7.4
83.75099	0.8
85.02912	39.2
87.04459	2.4
91.03952	2.2
91.05476	4.6
93.07056	10.0
95.04973	18.4
95.08604	1.2
97.02893	11.1
97.06541	3.5
98.21478	1.0
99.04456	2.5
103.05446	1.6
105.07022	8.8
107.04969	2.6
107.08602	10.6
109.02246	0.9
109.02888	5.2
109.06547	4.1
117.07027	2.6
119.08585	5.3
121.06500	4.0
121.10159	13.7
123.04424	1.1
123.08100	1.5
125.06007	12.1
127.03911	7.9
128.06287	1.2
130.07797	3.1
131.08598	0.9
133.06520	1.4
133.10187	1.8
135.04401	1.8
135.11682	7.0
137.05994	3.7
145.04959	8.7
145.10133	20.0
147.04419	1.0
147.08083	1.5
161.09686	1.1
161.39705	0.8
163.11186	100.0
164.11571	0.9
165.09122	0.9
165.12785	2.3
167.07153	1.1
175.11200	1.9
181.12256	17.9
205.12167	1.9
211.85760	0.9
223.13252	3.1
232.69994	0.9
277.04373	0.8
280.99030	0.8
307.15222	1.2
343.13528	3.3
343.33621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
54.56433	1.3
54.73322	1.2
55.01870	2.2
55.05500	2.3
57.03427	3.2
57.07068	2.1
61.02930	5.9
67.05510	1.9
69.03439	15.5
70.87087	3.6
71.04996	3.1
73.02909	1.7
73.95936	1.2
79.05487	5.6
79.94138	1.3
81.03410	5.6
81.07050	9.6
83.04996	7.4
85.02909	41.2
87.04473	2.4
88.56211	1.4
91.03922	2.4
91.05464	7.9
93.07041	12.4
94.56329	1.3
95.04969	23.2
95.08623	2.1
97.02909	11.3
97.06517	3.5
99.04458	2.2
103.03913	2.2
103.05441	1.5
105.07030	10.3
107.04945	3.0
107.08579	11.6
109.02885	4.3
109.06511	4.8
117.07014	3.9
119.04910	1.5
119.08575	4.7
121.06487	3.1
121.10146	12.6
123.08038	1.9
125.05994	11.7
127.03930	6.1
128.06216	1.2
130.04149	1.6
130.07828	1.3
131.04939	1.6
132.35912	1.3
133.06516	1.9
135.04431	3.2
135.11696	9.1
137.05966	5.2
143.08511	1.3
145.04980	9.9
145.10127	17.8
147.04433	1.4
162.06723	3.5
163.03902	2.7
163.07584	2.3
163.11186	100.0
165.09091	2.9
165.12762	4.4
167.07010	2.1
175.11198	1.4
181.12233	21.2
183.10228	1.5
187.11209	1.5
201.29498	1.2
205.12370	1.9
223.13258	2.2
307.15515	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	343.1545
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
52.39366	2.1
53.03946	2.8
55.01869	2.5
55.05520	3.9
57.03439	4.7
65.03938	6.3
67.05499	6.1
69.03437	3.6
69.07071	3.1
69.81689	5.0
69.82111	4.3
79.05498	6.9
81.03419	3.3
81.07066	4.9
85.02929	3.6
91.05502	9.9
91.05951	1.5
93.03400	7.2
93.07043	6.8
94.04175	3.3
95.04964	3.5
95.08607	3.3
97.06527	2.2
98.21466	2.1
99.36332	1.5
103.05482	17.7
105.07033	9.0
107.04948	13.6
107.08610	3.3
109.02866	1.9
109.06516	2.9
111.04492	8.3
115.05478	5.2
117.07005	4.0
119.04939	4.5
119.08553	1.9
121.06515	2.2
122.03661	6.3
125.05989	12.2
127.03884	2.1
128.06302	2.4
129.07002	6.7
131.04936	22.3
131.08620	8.2
133.06485	6.4
135.04449	2.2
135.08101	3.5
135.11699	1.8
137.05986	100.0
141.06990	4.2
143.08556	2.4
144.08116	13.8
145.06459	3.6
146.03664	2.1
147.04456	2.8
149.05992	9.1
149.09561	1.8
151.03923	33.9
151.05043	3.9
151.07562	11.9
153.05478	20.8
157.06500	5.4
158.09540	1.8
159.08054	10.2
161.05988	16.0
162.06837	1.7
163.07568	13.7
163.11206	5.2
165.06970	3.7
165.09096	2.6
167.07051	9.2
167.08545	1.7
169.06514	3.4
173.05917	2.0
174.06784	4.6
175.07535	7.8
177.05554	1.8
177.09088	2.4
177.78485	1.7
179.07016	2.9
181.06676	2.3
181.08623	11.5
186.06781	1.8
189.09125	14.5
191.10643	11.7
193.08595	3.0
194.07213	2.6
195.08134	3.1
197.06140	2.5
200.12813	2.1
201.09056	5.2
203.08772	2.8
205.08659	5.6
207.08113	3.9
209.06058	2.0
209.09630	1.9
211.07533	4.1
212.08147	1.9
218.07333	2.4
219.08237	2.5
219.10153	7.7
221.05997	2.5
222.06859	2.6
223.07561	3.0
223.11064	2.8
225.09250	1.9
227.07004	2.5
233.09608	7.5
235.07539	5.3
236.08430	2.0
237.09105	2.8
239.07126	2.9
240.07738	1.8
241.08443	1.8
247.07419	2.3
250.06392	3.0
250.09888	3.5
251.07089	3.0
251.10657	3.3
253.08548	5.1
254.09326	2.1
255.10281	3.1
261.09122	7.8
264.08057	2.6
265.08636	5.6
265.12170	3.7
267.06305	2.7
267.10309	3.1
271.09601	2.8
278.09515	2.9
279.10147	1.8
281.08026	3.5
282.08856	7.8
283.09671	3.3
285.11414	2.0
287.12949	2.6
293.11664	14.9
295.09723	3.0
296.10385	3.2
297.11276	14.1
299.09280	2.4
299.12946	2.4
310.11954	4.0
311.09494	2.3
311.12747	11.8
312.12973	2.1
315.12302	3.3
315.15863	3.7
325.10751	2.6
325.14310	29.9
343.04489	4.0
343.11642	26.7
343.15494	63.3
343.20175	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	343.1541
Annotation	Arisantetralone B
Peak:m/z	Relative Intensity
50.33150	1.4
65.03932	3.7
66.49893	1.4
69.51504	10.4
79.05473	3.3
81.03396	6.3
81.07047	1.6
82.56528	1.3
91.05482	8.9
93.03419	6.6
94.04195	3.2
95.04964	1.6
103.05473	11.5
105.07027	4.4
107.04942	6.4
109.06505	3.5
111.04440	3.9
115.05450	2.1
117.03414	1.7
119.04934	4.6
121.06491	3.1
122.03642	5.7
125.05996	8.5
129.07007	4.5
131.04939	17.9
131.08568	4.3
133.06473	4.5
137.05984	100.0
141.06973	2.3
143.80634	1.4
144.08105	17.5
145.06512	3.2
147.04404	2.6
149.05992	9.6
151.03909	11.3
151.04996	2.0
151.07521	11.8
153.05495	18.7
156.08028	1.4
157.06538	3.6
159.08081	7.8
161.05974	5.1
163.07516	7.4
165.09103	5.5
167.07112	3.2
174.06758	3.8
175.07539	6.2
178.15823	1.4
181.08603	4.9
189.09070	11.8
191.10652	9.0
201.09100	7.4
205.08601	4.4
213.05446	2.9
218.07242	3.2
219.10234	6.1
221.05942	1.8
223.12283	4.9
233.09718	7.5
234.10237	1.6
235.07611	2.9
237.01141	1.4
237.08987	2.1
241.04872	1.7
247.07524	1.9
250.09862	1.6
253.08496	1.7
261.09079	7.4
264.13922	1.4
265.08661	3.5
265.12274	2.7
265.92480	1.3
269.04422	4.1
275.10699	1.5
278.09332	2.9
279.10309	2.2
281.08252	2.0
282.14935	1.9
283.09723	3.3
293.11691	11.2
294.14941	3.4
295.09732	2.5
297.03970	28.6
297.11157	3.8
298.04477	1.5
310.12067	3.4
311.12729	4.2
311.17606	7.0
325.03342	1.4
325.10770	2.2
325.14386	25.4
343.04514	14.7
343.11710	2.9
343.15387	24.7
343.19958	12.3
344.15570	1.6
367.28381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
55.01863	3.2
69.72028	10.9
74.34504	1.6
79.05487	7.9
81.07057	2.7
91.05481	17.5
93.07067	2.4
94.04178	2.9
95.04967	5.1
102.04704	4.1
103.05457	18.1
105.03411	3.4
105.07048	14.5
106.04203	4.7
107.04964	26.4
109.06505	3.0
115.05466	12.7
117.03400	2.4
117.07024	6.4
119.04945	5.9
121.06516	5.7
122.03662	6.9
122.07304	7.7
123.04446	2.3
124.05233	1.9
130.04158	7.5
131.04919	18.5
133.06502	7.8
135.08072	6.8
136.05182	1.8
137.05989	83.0
141.07027	6.7
143.04973	2.8
144.08109	3.2
145.06465	5.0
146.03625	7.9
147.04456	11.6
147.08090	5.2
149.05977	9.5
151.03934	6.2
151.07542	11.8
157.06516	2.3
158.07300	3.4
159.04478	2.4
160.05212	3.6
161.04669	2.2
161.06003	44.8
162.06787	21.4
163.07567	34.3
163.11192	2.8
165.06982	3.6
166.07741	1.9
167.06987	2.0
169.06520	3.7
173.09665	5.8
175.07567	40.5
177.05553	2.6
177.09123	6.4
178.07819	2.6
179.08525	3.6
181.06541	4.2
181.08638	8.0
181.10101	1.8
186.59673	2.0
189.09196	2.2
190.07849	5.8
193.06567	1.8
194.07341	5.2
195.08160	2.1
195.40480	2.1
201.09172	5.4
202.07784	2.2
203.08588	2.0
205.06503	7.5
205.10167	7.0
206.07449	2.1
207.08141	8.7
208.08769	2.1
209.09651	2.7
211.07660	2.8
215.08629	2.4
218.07281	3.6
219.08223	2.7
219.10103	14.6
221.05960	2.7
221.09650	1.8
222.06804	5.9
224.08316	4.9
225.09163	3.4
232.09029	2.0
233.09610	9.6
234.06670	2.7
235.07602	10.0
236.08220	4.1
237.05505	2.1
237.09138	10.4
239.07097	2.9
239.10663	3.7
240.07861	1.7
241.08604	3.2
247.07605	2.9
249.05540	2.6
249.09120	2.6
250.06270	4.6
250.09937	6.9
251.06970	3.3
251.10834	3.2
252.07973	4.2
253.08730	4.5
254.09494	3.9
255.10249	2.2
261.09021	9.3
263.07202	2.4
263.10989	2.0
264.07996	4.0
265.08646	24.5
265.12241	7.1
267.07025	2.2
267.10211	11.7
269.08224	8.7
278.09515	2.8
279.10223	3.1
281.08148	3.9
281.11475	1.9
282.08801	10.0
283.09784	2.3
283.13358	3.3
284.10504	9.4
293.11716	20.1
294.12549	3.3
295.09708	3.9
296.10321	3.2
297.11234	39.4
297.14856	9.9
299.12766	29.2
300.53342	2.0
310.12030	6.0
311.12787	100.0
312.13226	5.0
315.16086	2.0
325.14334	29.0
343.04099	3.0
343.12180	1.9
343.15417	48.9
343.19696	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39317	1.5
53.03940	1.7
55.01875	2.8
56.96564	3.6
57.03428	2.3
67.00697	1.5
69.03424	2.3
69.31868	8.2
69.32298	5.8
70.06595	2.7
73.02923	2.1
74.66656	1.5
77.76344	1.5
79.05481	10.0
81.03404	2.6
85.02900	14.5
86.03233	5.0
89.03933	3.7
91.05491	2.9
94.04203	1.6
95.04992	2.1
97.02905	3.3
97.08074	1.8
98.20843	3.6
98.97575	5.9
102.46037	1.5
103.05475	5.0
105.07032	60.6
107.04951	5.5
110.97578	1.9
115.05460	1.8
116.07059	1.6
117.03420	5.2
119.04932	2.1
120.08083	16.2
121.08458	16.1
122.03682	5.0
123.04476	2.5
125.32197	1.8
131.04982	1.8
133.06496	100.0
135.04428	9.6
137.05981	83.8
145.02872	3.2
147.04456	10.2
151.07520	1.9
157.06508	2.1
157.67009	1.9
163.03894	31.0
164.01654	1.7
165.05513	5.2
165.09114	47.1
177.00621	1.9
181.06763	1.5
182.05003	2.9
219.01732	6.7
237.02945	4.7
251.11064	19.1
265.05078	2.0
275.19110	1.8
283.06091	3.2
283.13757	1.9
297.07751	1.8
331.07016	3.3
342.75198	1.9
343.09738	2.6
343.16293	3.9
349.08075	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	343.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
56.96565	4.6
58.78815	1.3
67.05502	1.6
69.03416	4.2
70.06604	2.1
70.99478	2.1
79.05492	4.3
81.03430	4.8
81.07051	1.3
82.99839	1.8
83.04950	1.7
85.01398	1.7
85.02905	4.7
86.99317	1.6
89.03912	9.3
91.05464	3.8
95.04956	4.6
95.08597	1.8
97.02895	2.9
98.97592	3.1
101.00877	17.2
103.02451	3.3
107.04960	100.0
108.05238	2.0
108.08137	2.3
110.97567	1.5
111.02956	1.7
111.04440	2.1
113.00819	1.4
115.02458	2.9
117.03391	5.0
119.01929	42.6
119.04942	1.8
123.04458	1.2
127.02427	3.6
127.03933	1.6
129.04002	7.6
129.05461	1.4
131.01883	4.4
133.03505	2.6
135.04428	12.4
136.07591	13.7
137.02957	10.1
137.04443	2.0
137.06027	2.7
145.02733	3.9
145.03584	3.4
147.05006	5.3
153.03976	4.0
155.01889	3.5
155.05537	16.7
157.03499	2.3
161.02962	3.7
163.03906	53.9
164.04309	4.8
164.07065	4.3
165.04073	1.5
169.03497	6.0
171.01530	1.6
171.05051	26.7
173.03038	1.9
173.06645	7.8
175.04536	1.5
179.05524	1.9
181.03531	2.6
181.07118	14.6
182.04495	4.9
182.08171	6.0
183.05087	1.3
185.02986	1.6
185.06599	2.9
187.02829	1.9
187.04536	3.6
189.06013	7.1
193.07108	1.4
197.03030	6.4
197.04817	1.4
197.06566	7.9
198.98596	3.2
199.00954	3.2
199.08202	9.7
203.04037	2.2
205.07130	1.9
207.05070	11.4
209.02992	1.7
209.06653	2.5
211.04619	1.5
215.03989	9.6
215.07639	3.1
219.01833	1.9
220.35307	1.4
221.02899	2.1
221.04968	1.6
223.02832	4.2
223.04596	3.7
223.08179	5.6
225.06064	10.6
229.05554	1.7
233.03323	1.6
237.06137	3.1
241.05637	5.6
241.09200	2.5
243.07188	4.0
249.06107	6.3
253.02113	1.4
253.07744	1.4
258.08704	1.3
265.05655	1.9
267.07135	24.3
281.08859	1.4
283.00269	1.9
283.06656	5.5
285.08270	10.5
299.06332	1.9
301.01486	2.3
301.07718	3.6
311.02084	1.6
315.05392	1.8
317.26028	1.4
331.08514	1.7
342.74799	1.3
343.04932	3.5
343.08740	2.9
344.13419	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	343.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49854	3.1
53.03932	3.9
56.96552	5.5
57.03435	3.9
58.99850	5.0
61.02924	5.0
69.03428	6.5
69.43847	20.3
71.04986	3.3
75.48442	3.2
79.05476	5.0
81.03416	8.8
83.04930	3.2
85.02908	16.9
89.03911	15.1
91.60561	3.2
93.05288	3.2
95.04972	7.9
97.01409	3.5
97.02896	6.2
101.00884	31.3
105.00389	3.9
107.04958	60.6
111.04451	5.0
113.00907	3.6
113.02332	3.5
115.02477	17.0
117.03374	9.9
119.01931	48.6
121.06487	4.4
121.08390	5.0
124.99118	3.8
126.98771	3.7
127.02412	7.1
129.03983	18.8
131.01898	11.7
131.03734	2.8
133.03473	19.9
135.04425	27.2
136.93077	4.2
137.02979	4.6
141.04012	4.7
143.01891	11.6
144.99831	12.5
145.03450	18.8
147.01410	5.5
147.05075	10.1
149.02861	4.9
153.04002	6.8
154.94151	6.4
155.01886	13.1
155.05536	13.1
157.03429	10.1
157.05327	3.8
161.02931	10.2
163.03900	100.0
164.04335	5.1
167.01874	4.0
168.99799	6.8
169.03458	16.9
171.01364	16.1
171.05046	23.2
172.95180	6.6
172.99310	5.8
173.02946	13.2
175.04442	3.6
177.02429	4.2
181.03488	6.4
181.07132	12.8
183.06850	8.8
185.02940	8.3
187.00941	7.6
187.02733	4.9
187.04510	14.1
189.02429	10.2
189.06007	5.1
195.05058	4.2
196.99203	3.7
197.02975	12.0
197.06654	6.0
198.98587	4.5
199.00841	5.1
199.08209	10.7
201.02449	3.8
201.07870	3.8
203.03961	4.3
207.05188	4.9
209.02954	4.5
211.00786	4.2
211.04448	6.2
213.06133	6.4
215.00380	8.9
215.04013	13.4
217.02037	5.8
221.02979	4.5
221.04909	8.3
223.02792	8.4
225.06053	6.3
229.01930	4.7
229.05656	8.2
233.01424	9.2
233.05058	14.1
239.03993	4.2
241.05751	6.6
245.05060	7.0
247.02934	5.0
248.98985	4.5
251.00328	4.0
251.02457	21.5
257.01370	3.5
257.04810	5.7
266.99820	6.5
267.07138	6.8
271.06400	3.3
283.03009	11.7
283.06638	14.7
300.96561	3.9
301.00543	7.6
311.02582	21.2
311.13138	3.7
325.11362	4.2
331.08755	6.0
343.04947	12.7
343.08682	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	343.0451
Annotation	Irisoid E
Peak:m/z	Relative Intensity
50.50214	0.3
52.23530	0.3
52.85081	0.3
64.90601	0.3
69.54317	0.3
70.53379	0.8
115.02465	0.4
115.05428	0.5
143.04901	0.5
145.06508	0.6
155.06078	0.4
158.03683	0.4
161.06093	0.4
163.11203	0.4
171.04446	0.6
173.05957	0.8
185.06000	0.5
186.03119	1.8
198.03133	0.8
199.03923	0.9
201.01788	1.0
201.05484	3.0
213.01901	0.6
214.02623	3.7
218.17630	0.3
226.02574	0.6
227.03316	0.7
228.04193	1.4
229.01349	2.5
229.04997	2.3
241.01248	2.1
242.02133	6.3
254.02077	0.5
256.03699	0.9
257.00867	2.5
257.04578	0.7
263.26715	0.4
269.00842	2.9
270.01627	3.6
271.02252	0.5
272.03275	1.0
282.01611	1.0
282.09073	0.5
283.02505	1.1
284.03101	0.8
285.00378	6.9
285.03983	14.6
297.00385	1.5
297.07520	0.6
298.01141	2.5
299.01904	4.2
300.02637	0.9
310.01086	2.5
311.01883	0.9
312.02655	2.3
312.99814	21.8
313.03476	19.8
313.07016	0.8
314.00455	1.3
314.03769	0.6
327.01376	5.7
328.02158	37.3
329.02267	0.5
343.04532	100.0
344.04770	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01868	8.6
55.05279	4.5
55.05516	54.9
57.03429	4.8
60.04519	12.7
67.05509	29.4
69.03429	10.2
69.07067	23.1
71.04971	3.0
71.49142	3.0
73.02911	2.6
79.05499	37.8
81.07058	24.5
81.07823	2.6
83.04990	6.4
83.08623	34.1
85.02893	4.5
88.07632	9.0
91.05490	17.9
93.07032	28.1
95.04971	11.3
95.08600	20.2
97.06544	6.4
97.09552	5.5
97.10171	83.6
105.07037	22.2
107.08601	100.0
109.06509	4.3
109.10177	3.2
111.08086	3.5
117.07024	7.5
119.08583	8.7
121.10168	5.9
123.08076	2.7
125.09644	80.8
129.06943	3.0
131.08592	5.1
133.10120	8.2
135.08058	20.1
135.11674	3.7
143.08571	4.6
145.04878	3.7
145.10149	20.6
147.08139	3.0
147.11667	4.7
149.09584	4.8
151.07520	4.1
153.09131	13.9
157.12273	3.5
159.11635	4.1
159.50476	2.5
163.11195	10.6
203.12787	90.0
203.14560	5.5
221.15372	4.4
257.18973	12.5
275.20078	39.5
289.21539	14.0
307.22595	8.3
342.30005	6.2
343.22708	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76437	15.5
55.01863	20.6
55.05515	25.2
56.05058	18.5
61.22940	13.9
67.05500	83.7
69.07067	59.1
69.57259	98.8
71.42106	13.9
71.52015	18.0
79.05492	57.9
81.07068	100.0
85.02928	19.1
91.05500	39.3
93.07043	57.6
95.04984	18.9
95.08609	59.2
97.06521	24.6
98.09727	23.2
98.21488	22.7
105.07014	67.7
107.08578	34.4
109.06530	18.6
109.37541	16.0
117.07053	15.1
119.08591	55.1
121.10168	21.1
133.10130	27.0
135.11681	18.8
145.10156	30.7
148.89226	14.9
159.11671	22.8
163.11172	31.0
166.39229	14.8
193.12105	16.6
207.09926	15.1
275.20117	45.9
307.22595	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	31.8
67.05496	51.7
69.03404	14.4
69.07068	39.8
69.59913	100.0
69.73190	16.3
79.05481	40.4
81.07068	72.3
85.02920	19.8
91.05473	32.3
93.07033	43.0
95.08624	36.5
98.09727	15.4
98.21516	18.5
105.06992	22.8
106.56892	14.0
107.08582	25.1
109.10155	24.7
117.07027	23.1
119.08616	17.0
127.03925	19.1
133.10123	37.3
135.11691	27.7
143.08598	16.5
163.11176	15.5
171.48073	14.1
173.13271	15.8
211.50612	14.1
275.19965	18.1
342.37369	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31281	7.6
55.01867	10.8
55.05515	18.1
55.95325	8.1
57.31800	6.2
60.35577	6.9
61.75804	6.5
62.74636	5.8
67.05515	75.6
68.17416	6.3
69.03426	17.2
69.07077	24.5
69.45346	53.6
71.05004	16.0
75.24055	6.1
75.40368	7.0
79.05488	28.8
80.51522	6.5
81.07058	59.5
83.04996	16.6
85.02894	13.6
85.06532	8.3
90.35683	6.5
91.05478	53.8
93.07053	38.9
95.04961	15.0
95.08608	27.4
97.06530	80.9
105.07037	54.0
107.08606	57.6
109.06546	14.4
109.10162	86.8
111.08108	9.6
119.08599	30.9
120.08887	11.3
121.10149	11.2
123.11687	16.8
131.08615	10.0
133.10133	100.0
145.04869	8.4
145.10144	11.8
149.02383	7.0
151.11177	45.7
169.12332	8.1
189.16461	10.6
197.53261	6.6
200.15118	7.7
226.16745	8.2
281.48151	6.7
296.24521	40.6
324.21622	16.8
342.25168	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.2
55.05503	16.6
57.03426	11.0
57.07075	7.0
67.05507	68.0
69.03425	7.7
69.07064	26.1
71.04980	12.6
77.42338	2.5
79.05491	34.2
81.03394	4.3
81.07060	57.2
83.04975	12.8
83.08601	6.2
85.02905	3.8
85.06539	8.6
91.05482	53.0
93.07049	34.3
95.04961	13.1
95.08598	10.0
97.05934	4.9
97.06534	84.8
99.04451	5.7
99.08085	4.6
105.07039	53.3
107.04942	5.8
107.08598	46.1
109.06528	16.1
109.10154	76.6
110.22307	3.1
111.08073	16.9
113.05986	8.4
115.07590	3.1
119.08545	7.3
121.06474	4.1
121.10131	5.4
121.77702	2.5
123.11724	13.4
125.32928	2.7
131.08562	8.3
133.06508	4.6
133.10132	100.0
135.08026	7.9
135.11679	3.1
137.05971	4.1
145.06531	2.8
149.09669	3.1
151.11182	46.7
159.11671	3.5
161.09703	5.5
163.07541	3.3
163.11151	4.0
169.12199	5.3
173.09541	3.1
185.51364	2.8
193.12131	3.4
221.11819	2.7
240.23213	21.4
261.18484	4.2
271.16934	3.7
282.11563	3.2
289.17984	15.7
307.19019	6.2
350.39410	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3051
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
53.74783	0.6
55.05511	10.9
55.92697	0.6
57.03162	1.1
57.03440	21.8
57.07079	63.6
59.04993	0.8
67.05505	14.0
69.07068	13.1
71.04988	2.6
71.08633	43.0
73.06532	1.1
75.04485	1.3
79.05504	3.4
81.07059	19.4
83.04967	0.7
83.08617	12.0
85.06529	2.0
85.09662	1.1
85.10183	24.3
89.06026	3.8
91.05476	2.3
93.07052	2.5
95.08608	25.3
97.10167	10.4
99.11739	1.6
101.05988	0.6
103.07569	2.4
105.07026	5.4
107.08591	2.5
109.10162	12.4
111.08098	2.0
111.11718	4.4
113.13293	1.0
117.09096	1.0
119.08595	2.5
121.10160	1.1
123.11723	4.0
125.13236	0.8
129.07013	1.0
131.08609	1.5
133.10126	2.0
135.11725	1.2
137.13286	1.6
143.08586	1.1
145.10147	1.8
149.13193	0.9
151.14893	1.7
151.51105	0.6
157.10135	1.9
169.10083	1.2
175.14784	0.7
215.20128	0.8
249.25601	1.4
267.26785	3.4
285.27917	6.6
341.30511	100.0
342.30859	2.7
359.02795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71861	17.7
55.01863	34.7
55.05501	64.2
57.03430	31.2
57.14300	22.2
67.05498	67.1
69.07059	57.4
71.49172	27.0
79.05507	100.0
81.03410	36.4
81.07050	79.1
82.39008	19.4
83.04994	20.4
83.08604	25.4
85.02880	57.6
85.06989	21.7
91.05456	62.6
93.07034	55.7
95.04951	71.7
95.08565	36.0
97.06535	23.1
97.10151	72.1
101.56158	20.8
105.07015	60.8
107.04945	24.9
107.08604	55.9
109.06532	42.9
117.07043	20.1
117.25378	22.4
119.08554	44.1
121.02829	31.0
121.06509	25.0
125.09615	43.2
127.03884	32.6
129.07024	25.9
135.08025	32.7
145.10089	24.3
159.08000	78.3
179.67863	22.9
189.11253	36.2
193.12071	25.8
219.13913	19.3
289.18015	25.7
342.14127	28.2
342.25003	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21391	3.9
53.03949	16.6
53.18927	4.3
55.01871	17.8
55.05516	34.8
57.03431	5.0
57.07056	5.1
65.03956	6.2
67.05511	62.3
69.03436	67.5
69.07056	20.6
70.88127	9.8
71.04985	14.7
79.05501	68.6
80.05024	5.6
81.03426	100.0
81.07069	95.4
83.04987	34.4
83.08616	17.7
85.02911	14.4
85.06545	13.2
91.05487	56.5
93.07055	68.3
94.06609	6.0
95.04984	32.3
95.08616	78.1
97.02912	29.6
97.06565	32.8
97.10139	6.5
99.04472	14.6
99.08078	6.4
100.11243	4.6
103.05461	8.8
105.07047	65.7
106.06551	5.5
107.04978	19.3
107.08604	32.2
109.02886	22.0
109.06543	25.8
109.10183	21.7
111.04446	11.0
111.08115	9.5
115.03968	6.3
115.05473	8.7
117.07041	20.5
117.11102	4.3
119.04910	5.7
119.08599	43.3
120.04524	5.8
121.06504	23.3
121.10171	21.1
123.04482	6.2
123.08085	18.3
125.06006	8.2
125.09639	6.0
127.03928	26.1
129.05554	6.4
129.07001	23.7
130.06532	9.8
131.04974	6.4
131.08604	22.8
132.08168	4.4
133.02879	5.7
133.06500	17.5
133.10146	27.5
135.08061	15.2
135.11688	9.9
137.05991	52.9
137.09641	9.0
139.07649	5.0
141.07013	9.2
142.07837	4.6
143.08565	16.5
144.05769	6.3
144.08067	12.7
145.06491	5.0
145.10144	16.4
146.06013	5.5
147.08073	10.3
147.11700	10.1
148.03931	15.4
148.07591	11.7
149.06003	9.5
149.09639	11.8
149.13225	6.3
151.07578	37.1
156.09378	5.9
157.10121	13.3
159.06816	4.4
159.08075	13.7
159.11783	11.5
161.06023	12.9
161.09656	11.1
161.13260	29.2
165.07074	7.0
167.07089	14.7
169.10089	8.3
171.08084	5.9
171.11533	3.9
172.31519	5.1
173.09608	9.2
173.11929	5.5
173.13300	11.1
175.07591	9.4
175.11238	6.2
176.07021	5.0
177.12866	8.6
179.14325	11.5
187.07561	23.7
189.09109	4.1
189.12810	5.0
191.08693	5.2
191.14403	7.2
197.05902	4.4
201.12613	4.5
203.08563	7.9
203.14378	5.7
206.07330	7.6
207.07950	4.5
207.13902	11.8
209.15356	11.8
216.10255	18.7
217.08583	7.1
219.08076	5.4
219.13858	9.5
221.09631	12.0
221.15439	7.0
223.17006	5.9
225.14876	13.3
231.07944	8.2
231.13689	5.4
233.15422	6.0
234.06790	10.0
235.07677	6.5
236.08304	4.0
237.14877	18.9
245.15376	4.8
249.09085	15.9
249.14920	5.7
251.07167	6.4
251.10851	4.3
251.16452	8.2
252.07176	4.3
259.17056	5.5
263.16409	14.8
266.09454	8.9
277.08578	6.9
277.17987	6.5
279.10095	6.9
281.11691	14.2
287.16489	18.1
291.10281	9.2
295.09512	4.9
295.14532	5.4
305.17499	44.6
309.11252	33.4
313.14816	5.2
323.18521	66.8
341.06470	6.6
341.09995	9.7
341.14117	64.3
341.20132	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01868	12.7
55.05520	38.1
57.03432	11.8
61.02943	4.6
65.03949	6.3
67.05508	66.2
69.03433	53.7
69.07080	21.4
69.37415	20.2
69.37838	14.5
71.01366	5.3
71.04997	19.1
79.05502	56.2
81.03427	67.0
81.07059	90.4
81.07532	7.3
83.04993	42.2
83.08633	17.2
84.89059	4.0
85.02922	16.4
85.06557	9.9
87.04485	5.2
91.05471	64.3
93.07038	59.5
95.04967	26.4
95.08611	75.6
97.02915	27.1
97.06551	26.4
97.10151	5.2
99.04441	8.9
103.05462	13.3
105.07035	64.6
107.04967	22.0
107.08596	27.5
109.02886	16.3
109.06527	19.6
109.10152	23.5
111.04426	12.3
111.08080	8.7
115.05487	8.9
117.07051	17.7
119.04913	5.6
119.08590	38.3
120.07998	4.9
121.06512	19.1
121.10149	12.2
122.03644	6.5
123.04448	14.7
123.08072	14.9
125.06023	8.4
125.09647	5.0
127.03945	20.2
128.06229	11.6
129.07007	39.3
131.04938	10.1
131.08556	20.6
133.02849	8.4
133.06506	27.2
133.10104	22.5
135.08054	15.9
135.11671	9.1
137.05974	64.8
137.09613	6.3
137.13217	4.0
141.07018	13.1
143.04919	6.1
143.08563	9.0
144.05699	11.3
144.08076	7.5
145.06497	8.6
145.10136	8.2
147.04395	10.5
147.08084	16.6
147.11646	5.4
148.03975	4.9
149.06006	11.5
149.09651	7.8
149.13206	5.0
151.03935	5.8
151.07573	41.4
153.05519	7.7
155.04898	8.4
155.08551	5.8
157.06497	6.2
157.10144	7.9
159.08066	17.7
159.11754	12.5
161.06001	21.7
161.09615	13.1
161.13278	22.0
162.06731	8.9
163.03894	5.5
167.07063	32.6
167.08359	6.5
169.10120	6.4
171.11601	7.0
173.11809	7.5
173.13223	7.7
174.06694	4.8
175.07593	18.3
177.05637	7.3
177.09062	7.0
177.12779	4.7
178.07800	7.2
179.07048	10.3
179.14371	6.5
187.03960	5.5
187.07535	52.0
189.07085	5.0
189.09149	13.5
191.08592	9.4
192.86684	4.6
194.51622	4.1
195.08028	5.5
195.13722	4.4
197.05972	4.5
201.12811	5.8
202.07857	11.6
203.08574	13.7
205.06422	8.0
206.07289	8.2
207.13835	6.0
209.15376	16.4
211.07492	6.3
215.14247	5.3
217.08598	6.9
218.07224	4.6
219.08049	11.6
220.08737	9.2
221.09645	14.3
223.07526	10.0
225.14851	14.1
231.08090	15.7
233.05888	4.7
233.15433	5.1
234.06702	16.2
235.07507	11.1
237.09135	4.7
237.14912	17.0
238.09940	6.0
239.06938	4.8
240.07875	10.2
247.07480	5.1
248.08357	11.2
249.09163	20.9
249.14995	5.3
251.07047	9.0
251.10548	4.6
251.16483	14.6
255.06657	4.4
257.08234	7.2
260.08472	4.4
263.10675	6.2
263.16458	13.9
263.70905	4.6
265.08627	10.2
266.09335	11.9
267.10287	6.7
268.07571	5.6
271.09650	8.9
277.08624	23.2
281.11774	28.7
283.09653	8.1
287.16458	15.9
290.54755	4.6
291.10205	16.7
293.17578	7.5
294.08777	8.9
295.09607	9.8
297.11090	5.4
300.09991	16.4
305.17465	44.1
309.11288	55.4
310.11942	7.0
311.09247	5.3
311.12637	4.9
313.14417	8.4
323.09338	7.5
323.12912	11.6
323.18539	55.4
326.11505	5.3
341.06793	7.1
341.09970	7.4
341.13858	100.0
341.19305	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.1
55.01874	16.3
55.05516	37.9
57.03423	6.0
65.03947	6.8
67.05508	62.0
69.03429	64.0
69.07079	25.1
70.78505	12.3
71.01364	8.4
71.05002	21.7
72.51125	4.1
79.05495	61.0
81.03423	100.0
81.07061	99.2
83.04990	46.7
83.08620	12.9
85.02924	23.5
85.06535	7.4
91.05486	60.1
93.07041	53.4
95.04964	26.9
95.08005	4.4
95.08604	86.8
97.02898	33.9
97.06536	34.3
97.10196	6.0
98.21498	6.1
99.04464	15.1
105.07034	65.3
107.04973	9.0
107.08601	37.1
109.02895	19.4
109.06518	23.1
109.10149	23.3
111.04492	8.4
111.08106	16.5
115.03957	7.1
117.07013	27.2
119.04935	4.4
119.08594	47.1
121.06513	17.9
121.10143	17.9
123.08085	15.8
125.06011	4.7
125.09647	5.0
127.03904	21.4
128.06226	5.3
129.07028	21.5
131.04871	4.8
131.08575	23.2
133.06483	14.6
133.10136	23.2
135.04437	4.4
135.08084	15.1
135.11693	14.2
137.05994	27.1
137.09662	7.1
137.13246	8.3
139.07571	8.0
143.08577	14.2
145.06433	5.3
145.10127	16.0
147.08070	6.7
147.11716	11.4
149.05951	7.8
149.09630	5.5
149.13219	7.6
151.07532	48.7
155.08517	6.8
155.10661	8.2
157.10161	14.2
159.08133	6.4
159.11725	11.4
161.05954	7.1
161.09669	7.5
161.13266	33.7
169.10118	5.0
171.11707	10.2
173.11763	7.2
173.13161	6.3
175.07568	12.2
175.11055	4.4
175.14853	7.3
179.14343	13.0
183.11722	8.6
185.09642	6.2
185.13268	6.1
187.07489	5.7
189.12730	5.4
191.07053	6.8
191.14314	6.7
195.13824	5.3
199.14830	6.1
201.12775	6.9
209.15421	10.0
219.13815	11.4
221.15414	8.6
225.14914	14.2
237.14821	16.6
249.14673	5.9
251.16499	14.7
259.17160	6.3
263.16498	10.9
275.16425	5.2
277.18039	6.4
287.16357	20.8
293.17471	6.8
295.24127	6.3
299.58420	4.8
305.17557	46.2
323.12930	7.8
323.18610	57.3
341.14014	15.9
341.19617	26.6
341.24890	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	16.8
55.01865	11.7
55.05511	38.4
57.03431	9.3
61.14239	3.2
61.29807	3.1
65.03927	8.4
67.05505	68.1
69.03085	5.5
69.03432	61.4
69.07076	24.6
71.01350	6.2
71.04999	19.0
79.05071	5.1
79.05501	60.7
80.97330	3.3
81.03422	83.8
81.07061	100.0
83.04984	39.9
83.08627	19.1
85.02909	26.6
85.06534	10.5
87.04468	3.5
91.05482	66.1
93.07043	64.1
95.04983	27.0
95.08613	87.5
97.02909	25.9
97.06532	30.2
97.10164	9.1
99.04454	12.6
103.05460	10.7
105.07035	58.0
107.04954	16.3
107.08588	40.5
109.02881	15.0
109.06522	32.0
109.10155	18.9
111.04453	8.2
111.08077	11.5
113.06010	3.8
115.05412	5.4
117.07044	17.6
119.04913	3.7
119.08587	45.2
121.06513	23.9
121.10161	13.5
123.04426	8.0
123.08088	20.1
125.06151	3.4
125.09637	6.4
127.03912	28.9
128.06236	8.6
129.07001	18.5
131.04950	7.3
131.08569	29.0
133.02808	4.1
133.06496	21.1
133.10147	27.6
134.71762	3.2
135.08060	21.4
135.11696	16.0
137.05978	39.7
137.09630	9.1
143.08565	17.7
144.05724	4.1
144.08078	8.4
145.06482	9.2
145.10167	16.7
147.08057	11.7
147.11678	8.5
149.05977	10.1
149.09631	7.4
149.13293	6.7
151.07555	47.7
153.09030	4.3
155.08574	8.4
157.06491	5.1
157.10091	10.1
159.08141	8.2
159.11754	10.3
161.05998	10.2
161.09662	7.2
161.13287	30.4
162.06683	4.5
163.07506	6.0
165.09125	5.3
167.07039	5.7
169.10124	4.3
171.08067	6.6
171.11731	8.3
173.09680	5.0
173.11803	7.4
173.13249	7.8
175.07520	10.9
175.14778	3.6
177.12691	8.2
179.14352	10.4
185.13139	7.6
187.07559	14.3
189.09140	10.8
189.12750	8.7
191.10669	3.3
191.14406	4.3
195.11977	3.2
195.13799	7.1
207.13863	11.5
209.15472	11.0
219.13802	8.5
221.15315	5.5
225.14841	9.2
231.08188	5.0
233.15358	4.2
234.06830	4.1
237.14874	15.8
248.08488	4.7
249.09076	6.3
249.14897	6.3
251.16493	13.2
263.16550	17.5
265.08591	5.9
267.15823	3.9
269.15421	5.7
271.09784	3.8
275.16513	4.7
277.17960	9.9
281.11786	6.3
287.16382	19.0
289.17923	4.6
291.10092	9.3
293.17508	9.0
305.17462	46.3
309.11224	12.3
323.12906	6.6
323.14615	4.9
323.18509	73.0
341.10132	7.2
341.14066	26.3
341.19360	19.7
341.24643	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	19.8
55.01871	13.6
55.05517	30.2
57.03440	14.5
61.86507	4.8
62.67194	4.7
65.03963	5.9
65.66685	5.1
67.05503	76.6
67.24873	6.0
69.03439	77.3
69.07074	24.0
71.01335	8.1
71.05007	25.7
79.05499	53.9
81.03420	87.3
81.07059	100.0
83.04989	36.0
83.08633	16.2
85.02908	24.0
85.06551	8.4
86.26073	7.0
91.05488	48.8
93.07053	68.7
95.04965	25.2
95.08613	89.1
97.02897	36.8
97.06523	32.2
99.04472	11.0
99.08115	6.6
105.07040	54.3
106.48011	4.9
107.04970	12.9
107.08601	27.8
109.02889	23.9
109.06535	24.0
109.10165	19.5
111.04463	6.8
111.08106	8.7
117.07053	23.3
119.08579	46.6
121.06518	24.5
121.10168	14.8
123.04418	8.4
123.08093	16.4
127.03928	23.4
129.07030	20.7
131.04984	5.7
131.08542	25.5
132.15555	5.1
133.06516	15.9
133.10150	21.1
135.08054	16.8
135.11700	13.5
137.05940	27.6
137.09610	6.7
137.13344	6.3
143.08583	11.5
145.10161	9.6
147.08083	9.5
147.11691	16.3
149.06001	9.6
149.13255	7.1
151.07555	40.1
156.19727	5.3
159.08102	11.1
159.11723	13.4
161.13249	30.5
163.03926	9.1
163.07639	6.2
163.11188	6.3
167.06905	11.3
171.08133	5.4
173.13303	7.4
177.12619	8.1
179.14330	16.6
187.07607	20.9
187.14606	5.1
189.09212	9.1
191.14209	6.6
195.13756	6.4
207.13866	11.6
209.15398	13.1
219.13872	7.2
221.15388	7.8
225.14891	14.1
235.07443	6.6
237.14886	17.4
248.08163	6.8
249.14767	6.7
251.16533	17.6
263.16431	14.9
275.16504	7.8
277.08640	9.2
281.11746	7.2
287.16455	21.4
291.10132	6.8
305.17560	49.1
305.85046	5.1
309.11224	15.6
323.18536	60.4
341.13950	21.7
341.19489	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	20.9
55.01868	19.8
55.05516	52.3
57.03435	13.6
65.03928	8.2
67.05508	81.2
69.03432	76.6
69.07069	25.6
69.50648	9.5
69.51060	31.2
70.06595	5.0
71.01363	9.7
71.04990	28.2
71.19904	4.8
79.05496	83.7
81.03424	97.7
81.07063	100.0
83.04985	60.5
83.08612	27.9
85.02920	27.4
85.06556	7.8
91.05475	60.0
92.59723	4.6
93.07047	78.0
95.01359	5.4
95.04982	34.8
95.08611	83.7
97.02885	29.1
97.06513	31.2
97.10161	10.7
99.04457	17.6
99.08096	7.6
100.11243	10.8
103.05455	11.9
103.25964	4.8
105.07034	86.4
107.04957	30.1
107.08591	29.4
109.02895	20.6
109.06509	34.2
109.10178	17.7
111.04458	12.6
111.08105	10.7
111.79192	4.3
115.05448	8.8
117.07014	22.9
118.15190	4.6
119.04975	8.1
119.08591	34.9
121.06508	25.6
121.10145	16.1
122.03629	6.7
123.04413	13.7
123.08087	18.0
125.06029	8.2
125.09614	8.6
127.03947	23.9
127.07553	7.4
128.06192	10.4
129.07036	40.9
131.04951	14.5
131.08588	29.1
133.02850	11.2
133.06474	24.9
133.10109	32.8
135.04405	5.9
135.08095	26.6
135.11725	15.2
137.05988	75.3
137.09605	8.4
137.13258	9.3
139.07449	5.3
141.06993	6.7
143.08554	9.5
144.05722	7.0
144.08096	20.5
145.06589	8.2
145.10104	14.3
147.04410	10.4
147.08035	14.8
147.11708	10.0
149.05984	7.5
149.09624	6.0
151.03920	6.5
151.07532	49.8
153.05574	5.3
155.08644	4.7
156.05717	9.3
157.10077	6.8
159.04501	6.1
159.08060	27.8
159.11693	12.9
161.05981	20.2
161.09607	13.7
161.13280	30.9
163.03923	9.6
163.11174	7.7
167.07057	41.5
171.08069	7.8
171.11783	8.1
173.09744	8.7
173.11749	7.3
173.13242	6.8
175.07533	36.7
177.09081	6.1
177.12668	8.5
178.07794	8.1
179.08531	5.7
179.14320	14.8
182.15376	8.8
183.11653	5.1
185.13307	9.3
187.03909	14.4
187.07570	55.0
187.14871	7.9
189.07065	7.9
189.09125	9.9
189.12769	9.8
190.07799	5.2
192.09207	4.7
193.10201	6.2
197.13304	5.6
199.14864	6.1
201.12897	7.1
202.07774	12.8
203.08630	10.1
205.06470	13.0
205.08542	5.6
206.07317	16.2
207.08136	6.5
207.13866	9.5
209.15387	14.8
210.14919	12.3
211.07506	6.6
217.08632	13.6
219.08022	17.2
219.13773	9.8
221.09671	18.0
221.15480	7.2
223.07521	8.6
224.04555	4.8
225.14861	18.3
231.08128	14.8
232.08701	5.6
233.15425	6.1
234.06757	16.2
235.07452	7.7
237.09036	6.0
237.14877	20.6
238.09857	6.5
240.07808	6.9
241.15834	4.9
245.15527	6.7
247.07495	6.4
248.08408	16.4
249.09123	28.7
249.14691	6.1
251.07120	15.4
251.16431	16.3
259.07547	8.4
263.10638	5.7
263.16443	14.8
265.08521	13.8
266.09442	14.3
269.15308	9.9
271.09433	9.0
275.16425	11.1
277.08664	24.5
277.18057	8.2
279.06677	7.5
279.10129	13.2
281.11728	45.7
283.09525	7.5
287.16428	35.6
291.10263	21.0
293.17514	10.9
294.08771	13.3
295.09735	10.4
300.09927	9.3
305.17502	61.1
309.11261	59.9
310.11737	7.8
311.09033	7.4
323.12842	11.4
323.18604	61.1
341.06937	5.4
341.10110	8.7
341.13846	95.9
341.19241	29.5
344.29691	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	341.1861
Annotation	Alstoyunine B
Peak:m/z	Relative Intensity
51.72823	0.3
52.46544	0.4
55.05516	0.4
59.01440	0.4
60.57565	0.3
61.67293	0.3
64.09647	0.4
65.03941	0.4
69.03426	0.5
69.64746	1.0
69.65154	1.2
79.05481	1.2
81.07053	1.3
84.08138	0.4
89.06047	0.8
91.05495	1.8
93.05787	0.4
93.07050	2.2
94.06581	0.5
95.08601	0.4
96.08076	0.3
98.21445	0.7
103.05446	0.8
105.07027	1.2
106.06550	1.1
107.04929	0.5
107.07042	0.5
107.08585	1.0
108.08125	19.2
109.06520	0.5
115.05479	1.3
117.07032	4.6
118.06559	0.6
119.08559	1.0
120.08104	1.3
121.06522	0.4
121.08879	1.4
121.10170	0.8
122.03654	0.4
122.09645	1.2
129.06992	1.1
130.06540	2.9
131.07231	0.4
132.08081	0.9
133.02852	1.0
134.09657	0.6
135.08043	0.4
137.06000	5.2
143.07323	2.9
144.08092	100.0
145.06581	0.5
145.08427	1.9
151.07556	0.6
155.05998	0.7
155.07144	1.2
156.08086	1.1
158.09674	2.2
159.09186	0.7
160.07570	0.5
161.05881	0.5
162.09177	0.7
163.13292	1.3
167.07191	0.6
168.08092	1.5
169.08907	0.5
170.08446	0.4
170.09668	2.6
171.09207	0.7
172.11247	0.5
174.06837	0.8
180.08083	1.2
180.10237	0.6
181.08760	0.6
182.09598	0.5
182.90500	0.4
187.07510	2.3
192.10167	0.5
193.08777	0.5
194.09677	1.1
195.10428	0.5
196.11226	0.4
198.11270	7.8
199.07559	0.4
202.07698	0.4
203.08473	0.5
205.08835	0.8
206.09657	1.6
207.10449	0.7
208.11214	1.0
210.11292	4.9
217.08705	1.6
218.09726	0.8
219.08205	0.7
219.10451	1.4
220.08966	0.4
220.11197	2.1
221.12054	0.5
222.12767	1.1
224.14259	0.4
230.86049	0.4
231.08192	0.5
231.10371	0.4
233.11908	0.9
234.12802	3.4
235.13593	2.1
236.14355	0.7
247.07547	0.5
248.08322	0.9
248.14478	0.5
249.09114	0.6
251.15459	5.9
263.10699	1.2
270.09070	0.7
271.09711	0.6
276.13806	0.8
279.10184	0.6
291.10266	1.9
293.07874	0.4
294.14670	0.5
305.16382	0.7
309.11203	0.8
311.12830	0.8
312.16043	1.4
323.12814	1.4
323.17249	0.6
324.15970	3.0
341.18607	84.5
342.18893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1861
Annotation	Alstoyunine B
Peak:m/z	Relative Intensity
67.05488	0.7
70.20443	3.1
79.99136	0.7
81.07043	1.1
89.81263	0.7
91.05479	1.0
93.07039	1.0
105.07017	1.1
106.06523	1.2
108.08119	19.7
109.06540	1.1
115.05456	1.4
117.07030	3.7
119.08583	1.0
120.08116	3.0
122.03651	1.3
122.09660	1.2
124.01488	0.8
125.06046	0.9
129.07050	1.6
130.06540	2.5
131.04910	0.7
131.08562	0.7
132.08089	1.2
133.02898	1.0
137.05971	7.5
143.07295	3.3
143.08322	0.8
144.08089	100.0
145.06479	0.9
145.08446	1.9
147.04440	1.0
149.06052	1.0
151.03951	1.5
154.12996	0.8
155.05966	0.9
155.07117	1.2
156.08025	1.0
158.09682	2.0
161.05974	1.5
162.06787	1.4
167.07172	1.5
168.08147	0.9
170.09723	1.1
174.06866	0.9
175.07585	1.7
180.08160	0.8
180.10196	0.9
187.07513	2.4
189.09116	0.8
194.09686	1.1
198.11238	9.5
203.08646	1.1
205.06616	0.9
205.08810	0.7
206.09666	1.7
207.10381	1.0
208.11220	1.7
210.11220	6.2
212.43053	0.7
217.08603	1.8
218.09593	1.3
219.07993	1.0
219.10551	0.9
220.09085	0.8
220.11249	2.9
222.12831	1.8
234.12718	4.0
235.13658	2.6
247.07573	0.9
251.15413	5.8
263.15335	0.8
265.08496	2.0
271.09689	1.0
279.10214	2.0
291.10141	1.4
294.14594	0.9
297.11093	0.8
298.14514	1.5
309.11151	1.3
311.12717	1.7
312.15912	0.8
323.13025	1.6
324.15979	3.9
341.14505	2.8
341.18597	82.5
342.18872	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	341.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01880	1.6
55.05501	2.8
65.03938	1.1
67.05501	3.7
69.03426	2.4
69.07069	2.4
77.83568	0.9
79.05505	6.0
81.03428	4.4
81.07067	6.1
83.04984	1.4
83.08623	1.1
85.02892	1.4
91.05491	24.1
92.99837	0.8
93.07064	5.0
94.04196	1.1
95.04993	5.0
95.08613	4.3
97.02881	2.3
97.06514	1.8
97.10171	1.6
98.21532	1.8
99.08089	1.0
103.05476	1.1
105.07057	7.1
107.04934	3.8
107.08600	3.0
108.05685	1.1
109.02893	1.6
109.06510	1.5
111.04438	1.7
111.44098	0.8
113.06005	0.9
115.05365	1.0
117.07027	1.4
119.04959	15.5
119.08611	2.1
121.06525	2.2
122.03669	4.6
123.08110	1.9
127.03911	1.3
128.06190	2.8
129.07027	1.5
131.08591	2.0
133.06491	3.6
133.10098	1.3
134.07268	1.5
135.04411	2.8
135.08058	2.7
136.05206	5.0
137.05994	59.6
143.08588	5.4
144.08099	1.1
145.10103	1.3
147.08064	1.4
149.02365	1.9
150.06740	6.4
151.07556	100.0
152.07826	1.1
157.10161	1.7
159.08096	2.1
161.05984	2.3
161.13307	2.1
165.09134	37.8
167.07039	1.2
171.08087	4.5
172.08884	1.2
173.09680	1.3
175.07549	2.0
179.10689	2.8
186.10419	3.7
187.07533	7.2
187.11156	1.0
188.08372	6.2
189.09024	1.3
193.09998	1.0
202.09927	14.6
203.08836	1.7
203.10690	17.4
217.08907	1.6
217.12257	33.5
221.09476	1.4
225.11157	1.1
237.09377	0.9
237.14806	1.2
248.08365	1.3
251.16447	0.8
263.10590	0.9
281.11792	2.1
283.09805	1.9
287.16315	1.3
298.12012	1.7
305.17407	3.2
309.11307	1.2
323.18365	2.7
341.13834	3.1
341.17426	20.5
342.17740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.00496	1.5
55.01871	2.1
71.04983	1.9
71.11791	4.2
79.05492	3.3
79.69485	1.9
81.07040	2.1
87.30240	1.6
91.05465	8.6
94.04206	3.8
102.78368	1.4
103.05490	3.4
105.07027	6.7
107.04932	1.6
109.06539	1.9
115.05449	4.3
119.04949	3.7
122.03680	8.6
128.06198	3.5
129.07018	11.1
129.09898	1.5
131.04926	4.8
131.08578	2.3
132.05728	3.1
133.02876	2.7
133.06517	5.7
137.05988	100.0
144.05739	3.2
145.06494	2.0
146.07269	2.3
147.04424	6.6
147.07985	2.8
149.06029	3.7
151.03891	2.5
151.07553	3.8
153.05600	1.8
157.06555	4.2
158.07262	1.8
160.05170	2.5
161.05974	14.0
163.07564	2.3
165.05545	2.9
166.67882	1.6
167.07062	3.3
171.08098	1.5
172.05249	7.7
173.06078	1.9
174.06766	9.5
175.07556	24.3
177.05515	3.0
177.09134	1.7
179.07097	3.2
184.05325	2.0
187.07544	40.3
189.07497	2.2
189.09077	13.3
190.07877	3.3
191.08577	6.3
199.07579	8.6
202.07845	3.0
203.08566	8.1
204.01413	1.5
205.06581	2.1
208.08907	2.0
211.07570	5.6
217.08594	21.1
218.07304	2.8
219.08046	12.0
220.08875	6.2
225.09021	2.3
227.07040	3.9
231.08029	7.5
232.08812	3.3
233.06009	2.7
235.07622	3.0
236.08415	5.9
237.09123	2.9
239.07004	3.5
239.11757	2.8
240.07883	3.2
247.07573	10.7
248.08311	10.2
249.09123	2.2
251.10735	8.6
253.08591	3.1
255.06813	1.9
259.07611	3.8
261.09134	2.7
263.07034	2.9
263.10736	11.7
264.07919	3.9
265.08679	4.8
270.08926	2.1
271.09589	12.3
276.07904	4.6
277.08789	3.7
279.10159	15.2
280.10889	2.0
281.08203	4.0
281.11420	1.8
283.09604	3.4
291.10150	24.1
293.08035	5.9
295.09592	1.9
296.10449	8.8
297.10944	3.4
308.10641	1.9
309.11176	3.2
311.12820	15.1
323.12799	27.1
341.10165	2.4
341.13962	10.5
341.18051	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	341.1389
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03928	1.1
55.01872	1.4
55.70671	1.1
57.15868	0.9
65.03926	1.3
67.05492	1.3
69.03445	2.1
70.78156	2.6
76.90985	1.1
79.05509	4.8
81.03416	1.5
81.07071	3.5
85.02946	1.0
91.05480	6.9
93.07044	2.8
94.04193	4.9
95.04964	1.2
95.08596	2.4
97.02884	1.2
97.06527	1.4
100.11230	1.5
103.05473	4.1
105.07033	8.0
107.04962	4.3
108.08152	0.9
109.02879	1.5
109.06508	1.6
115.05462	5.5
117.07024	3.4
119.04973	1.8
119.08576	6.2
121.06521	2.7
122.03658	11.0
124.24088	1.1
126.25925	1.1
128.06210	3.1
129.07004	6.3
131.04921	4.0
131.08543	1.0
132.05707	4.1
133.02893	1.3
133.06517	5.2
135.04451	1.2
137.05984	100.0
141.07047	1.2
143.04965	1.5
144.05666	1.5
144.08119	2.6
145.06499	1.7
146.03665	2.0
147.04430	4.8
147.08047	5.9
149.05994	3.2
150.06764	1.6
151.03859	1.1
151.07568	2.0
153.05498	1.3
155.04967	1.0
157.06471	1.7
159.04442	2.4
159.08105	3.0
160.05226	3.5
161.05992	12.6
161.09621	1.5
162.06755	6.4
163.03783	1.3
163.07455	1.0
165.06955	1.2
167.07082	3.6
175.07552	41.0
177.05498	1.7
177.09099	2.2
178.07822	1.3
179.07071	1.9
179.08519	1.4
184.05234	1.4
187.03938	3.2
187.07549	15.4
189.06979	2.1
189.09142	2.7
190.07790	5.6
191.08574	9.8
199.07565	9.8
202.07800	4.9
203.08548	7.2
205.06427	1.4
206.07278	1.3
213.68098	1.1
214.73730	1.2
217.06650	1.4
217.08612	3.3
218.07428	1.8
219.08104	12.9
220.08827	2.4
221.09624	2.4
231.08089	6.7
232.08690	1.8
234.06824	1.6
235.07550	2.0
236.08228	2.6
237.08936	1.0
247.07544	5.1
248.08279	3.8
249.09126	2.6
251.10744	12.5
259.07520	3.0
260.08353	1.5
263.07468	1.2
263.10715	4.5
265.08566	1.7
276.07736	1.8
277.08643	4.6
279.10184	7.5
280.10757	1.7
281.08640	1.9
281.11780	4.1
291.10187	7.0
292.10907	4.4
295.10034	1.2
295.13412	2.7
296.10516	1.2
309.11176	6.9
311.09509	1.6
311.12759	9.1
323.12769	4.0
341.10388	1.2
341.13861	13.4
341.18594	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	341.1386
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01872	2.2
56.04955	1.5
61.81663	1.8
67.05505	2.7
69.03423	2.9
69.65366	8.1
69.65775	3.1
71.04981	1.9
79.05478	3.9
81.07059	2.1
91.05467	10.8
94.04180	4.4
103.05449	4.3
105.07056	9.8
107.04942	5.9
108.08086	2.3
109.06513	3.2
111.21709	1.6
115.05436	5.1
117.07028	3.5
118.06579	8.0
119.04942	6.8
119.08518	2.2
121.06506	2.9
122.03668	9.2
128.06235	2.7
129.07008	10.5
130.06514	3.1
131.04921	6.9
132.05705	2.9
132.08109	2.5
133.02808	3.3
133.06477	9.2
137.05983	100.0
143.04886	3.3
144.05704	4.7
144.08084	32.7
145.06509	3.3
146.06010	21.8
147.04428	12.2
147.08037	5.2
149.05980	2.6
151.07521	7.6
154.12291	19.7
157.06488	5.7
158.07285	2.2
159.08051	2.9
160.05190	4.3
161.06010	18.8
162.06668	2.6
163.07603	2.1
165.05507	2.8
166.12280	5.0
167.06996	4.0
170.06021	3.2
171.08051	3.7
172.05235	5.9
173.05946	2.5
174.06795	8.6
175.07584	28.0
177.05505	2.8
178.07755	2.1
179.07025	8.9
187.07550	34.4
188.07040	17.6
189.09085	11.6
190.07735	3.1
191.08524	7.6
199.07561	4.6
202.07755	3.4
203.08485	9.0
205.06473	4.0
211.07584	5.8
212.12833	3.8
217.08615	16.2
218.07169	2.2
219.08131	9.7
220.08839	4.7
221.06052	2.5
221.09680	3.3
225.27231	1.7
231.08104	10.4
232.08850	2.2
233.09549	1.8
234.06789	2.5
235.07558	3.6
237.09073	4.2
240.07790	2.7
247.07504	8.3
248.08298	14.0
249.09113	4.0
251.10754	9.2
253.08525	3.4
259.07574	4.7
260.08163	2.3
261.09079	2.3
263.07074	2.1
263.10648	10.2
264.07822	5.6
265.08539	4.9
270.08887	3.7
271.09625	7.4
276.07828	6.5
277.08621	4.1
279.10162	13.1
280.07254	1.8
280.10535	2.4
281.11710	3.1
283.09668	2.7
291.10153	20.5
293.08167	2.5
295.18188	3.2
296.10370	7.5
308.10318	3.1
309.11246	10.7
311.12738	16.3
323.12756	26.4
341.13882	18.4
341.18552	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03935	0.3
61.02907	0.4
64.77728	0.2
68.99811	0.3
69.03426	1.1
70.93460	0.4
77.03928	0.3
80.71794	0.2
85.02898	1.9
89.03928	0.4
97.02897	0.7
105.03408	0.8
107.04931	0.4
109.02878	0.3
115.31952	0.2
117.03379	0.6
123.04434	10.4
127.03857	0.4
133.01862	0.4
133.02856	8.9
135.04428	1.8
137.05965	0.4
151.03900	4.5
160.07567	0.4
179.03395	100.0
180.03738	0.8
341.08850	0.8
344.09177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	2.2
53.54900	1.1
55.01849	1.5
55.05511	16.0
57.07087	5.4
62.87700	1.2
65.03933	1.2
67.05514	15.0
69.03439	2.8
69.07074	25.8
71.04984	3.6
71.08636	11.8
79.05499	12.5
81.03407	3.2
81.07059	23.4
83.05000	3.1
83.08628	7.4
85.06559	2.2
91.05488	6.5
93.07054	15.1
95.08614	23.9
97.06538	5.1
97.10184	4.7
99.08096	14.3
105.07035	8.5
106.64684	1.2
107.04998	1.7
107.08608	17.0
109.06516	8.6
109.10154	7.1
111.04464	4.0
111.08084	5.4
117.07020	1.3
118.38556	1.3
119.08604	9.3
120.73853	1.2
121.06531	3.5
121.10155	11.8
123.08075	33.0
123.08975	1.9
123.11703	3.4
125.06013	4.9
125.09634	1.8
131.08606	2.8
133.10126	4.9
135.08072	8.4
135.11711	3.9
137.09616	3.1
137.13286	2.6
139.07568	1.9
139.11217	1.4
143.08507	1.4
145.10156	5.2
147.11732	3.9
149.09639	4.1
149.13281	3.1
153.09137	1.7
153.12767	10.8
157.10178	1.5
159.11757	3.6
161.09596	1.3
161.13278	2.4
163.11166	1.3
163.14833	1.9
165.12767	2.7
167.14346	2.3
173.13168	1.8
175.14847	1.9
177.12901	1.5
177.16451	1.8
179.14322	32.2
181.12323	1.7
181.15936	1.5
183.11707	1.1
186.34758	1.1
187.14883	2.1
191.14310	3.6
193.15825	1.7
195.17564	1.9
197.13261	1.2
201.16452	1.2
205.15892	2.9
207.17508	1.3
215.14330	1.9
223.16919	12.8
247.24255	1.9
256.99487	1.2
261.22290	1.6
265.17975	18.7
265.25192	9.3
275.23776	12.5
283.16708	1.3
285.22107	3.0
289.17776	1.2
293.24747	9.1
303.23166	39.1
321.24255	100.0
322.24536	3.1
339.25256	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	339.1706
Annotation	Naucleofficine D
Peak:m/z	Relative Intensity
62.64022	0.4
69.67007	1.7
69.67422	0.8
91.05463	0.8
103.05466	0.7
106.06581	0.4
107.04989	0.7
109.02902	0.4
115.05455	1.4
117.05759	0.5
117.07026	5.3
118.06541	0.6
120.08112	4.8
120.37376	0.4
130.06520	1.7
132.08136	0.4
136.38881	0.4
143.07339	3.0
144.08093	100.0
145.06506	0.8
145.08453	1.2
146.06065	0.6
146.09669	0.4
155.06052	1.1
158.09676	0.9
164.07088	3.5
177.89226	0.4
178.08684	0.5
196.09703	13.8
208.09703	1.2
217.08878	0.4
218.09641	0.5
232.11212	0.7
243.10558	0.4
260.14474	0.8
278.11862	0.5
278.14783	0.4
304.13284	0.6
310.14297	0.6
322.14529	1.1
339.17053	40.2
340.17398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01880	26.2
55.05520	31.2
57.03434	30.4
57.07062	14.6
65.03935	4.3
66.82838	3.7
67.05507	95.4
67.36889	3.8
69.03419	4.3
69.07076	21.7
69.41702	28.6
70.06579	4.7
71.01317	4.5
71.08613	7.3
76.47344	3.9
79.05498	74.7
81.00858	4.9
81.03407	12.0
81.07062	93.6
83.04996	34.9
83.08611	10.4
85.06551	6.8
85.10205	4.7
88.07640	6.9
91.05489	78.6
93.06567	4.8
93.07047	52.3
95.04382	5.0
95.04974	83.3
95.08610	46.5
97.02878	7.1
97.06519	9.6
97.10172	5.7
98.07291	5.9
98.54028	3.5
102.09161	6.5
103.05463	5.2
105.04446	3.9
105.07050	52.8
107.04960	100.0
107.08591	24.6
108.05717	11.0
109.06534	45.5
109.10170	19.8
111.04441	7.6
112.05199	9.9
113.06007	8.9
115.05453	8.3
117.07030	34.9
119.04913	5.3
119.08602	30.7
121.06549	20.9
121.10128	14.4
122.07290	21.7
123.04431	9.1
123.08086	9.8
123.11684	7.6
128.06212	4.4
129.06996	11.3
131.08574	37.2
133.06505	19.2
133.10141	19.1
135.08044	21.3
135.11659	11.0
137.09622	9.6
138.75009	3.8
141.06932	4.0
143.08554	11.4
145.06534	19.9
145.10126	30.9
147.08089	27.1
147.11716	6.2
149.02348	17.2
149.09633	7.7
151.07536	6.7
155.08574	7.8
157.10143	6.5
159.08066	6.9
159.11723	12.5
161.09663	18.8
163.11172	10.9
165.09126	12.2
171.11684	14.3
173.13274	17.8
175.11166	6.4
177.12729	5.7
187.11205	6.2
187.14818	15.1
189.12709	5.3
193.05005	26.8
197.13287	6.4
205.15840	12.6
215.14325	15.5
224.65596	17.6
233.15373	87.8
235.13152	4.4
256.26355	8.1
265.17981	34.2
273.18506	20.7
290.18646	8.4
290.65540	4.3
305.21021	7.9
321.88446	4.2
339.27698	62.8
339.77863	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	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.29257	1.1
56.92514	0.9
65.03941	1.4
66.48256	0.8
68.67805	0.9
70.83607	1.6
81.58869	0.8
91.05483	10.3
119.04949	24.7
136.44826	0.8
147.04419	100.0
191.16940	0.8
248.88130	0.8
326.47672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
63.27284	2.1
70.83999	3.1
91.05476	16.6
103.05475	2.7
105.07011	6.1
106.04167	4.1
119.04966	29.0
130.06567	2.7
133.06476	9.0
135.04411	2.0
137.05934	2.4
144.08084	48.6
147.04411	100.0
149.06004	10.3
158.09619	2.7
161.05939	8.0
177.05510	10.5
178.08661	4.1
196.09654	7.0
208.09726	3.7
215.07034	2.2
226.24718	2.1
251.89053	2.1
307.09778	4.2
322.14075	2.4
339.12604	5.1
339.16971	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51081	0.6
55.01852	0.7
55.05508	2.0
57.07070	0.8
67.05508	3.2
69.07075	8.3
69.41948	3.3
69.42358	1.2
79.05490	3.2
81.07053	6.7
83.04987	3.1
83.08652	0.7
86.09705	100.0
87.10011	0.6
88.03984	1.0
91.05486	6.0
93.07043	9.8
95.04977	2.3
95.08616	2.6
97.06548	1.0
105.07027	9.8
107.08605	2.5
107.91238	0.5
109.06512	7.5
109.10165	1.4
111.08080	3.4
117.07064	0.7
119.08567	4.6
119.48831	0.6
121.06549	1.1
121.10154	0.9
123.08051	1.0
123.11697	0.6
128.10675	4.0
129.07034	1.2
131.08562	2.7
133.06480	0.6
133.10132	12.3
135.08015	0.8
135.11732	0.6
144.10211	0.8
145.65692	0.6
146.11757	31.4
147.08006	0.6
147.11674	7.7
149.09619	1.5
149.13254	0.8
151.07574	2.0
151.11180	32.3
154.04985	0.6
156.10194	1.3
163.03888	0.9
164.04294	1.2
165.12827	1.8
167.14252	0.6
168.06599	0.6
174.61540	0.7
175.11171	3.8
190.19591	0.6
192.13806	0.5
193.12259	4.0
194.12642	0.6
210.14899	0.9
222.14928	1.6
236.16333	0.8
260.20157	5.9
278.21149	31.8
302.76465	0.6
306.20694	2.5
320.22339	2.1
322.32159	0.7
338.23227	11.7
339.11890	0.6
363.88928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.06857	0.7
52.62801	0.7
53.03935	2.7
55.01867	1.9
55.05517	37.4
57.03444	24.5
57.07080	5.6
65.03938	3.3
65.96764	0.7
67.05511	80.6
69.07075	44.4
71.05000	2.7
71.08622	2.7
71.49196	1.2
78.12929	0.8
79.05498	22.3
81.03441	1.0
81.07062	84.3
82.07390	1.8
83.04977	3.5
83.08624	25.2
85.06535	2.8
91.05486	13.7
93.07055	20.7
95.04966	3.2
95.08615	65.3
97.06539	5.2
97.10178	13.7
99.08089	1.3
105.07027	10.3
107.08607	12.3
109.06496	1.5
109.10163	28.0
111.08054	2.3
111.11700	2.6
117.03374	0.9
119.08597	7.2
120.73042	0.8
121.10146	10.2
123.08088	1.3
123.11720	12.2
123.81960	0.8
125.09636	1.7
125.13247	0.7
126.16827	0.9
129.05513	1.2
131.08603	0.9
133.10138	8.6
135.04463	0.8
135.11731	7.0
137.09653	2.0
137.13266	4.2
139.11162	0.8
145.10168	0.9
147.11703	4.8
149.09641	1.3
149.13272	3.5
151.11238	1.1
151.14819	2.4
153.12798	0.9
157.10080	1.1
159.11804	0.9
161.13271	3.2
163.03934	5.1
163.14827	3.2
165.12723	1.0
165.16441	2.2
175.14844	3.0
177.16347	0.9
179.17944	1.2
189.16396	1.2
245.22765	4.5
263.23752	10.0
297.25793	0.8
319.22717	1.3
337.27408	100.0
338.27704	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	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	44.8
57.03433	8.2
57.07069	11.8
60.79292	5.1
67.05508	63.3
69.07069	64.7
71.04993	33.6
71.20194	11.9
76.76978	4.6
79.05491	41.1
81.07062	91.4
83.08608	27.9
91.05487	39.3
93.07058	50.8
95.04962	19.6
95.08614	100.0
95.32621	4.7
97.06540	7.5
97.10155	8.9
105.07041	81.8
107.08604	55.4
109.06506	14.0
109.10172	52.7
111.11705	4.9
117.07018	15.8
119.08580	90.9
121.10152	65.7
123.08030	11.2
123.11720	68.9
128.06213	8.3
129.07025	13.2
129.45313	4.4
131.08556	46.2
133.10146	44.8
135.08051	22.4
135.11679	14.5
137.13289	8.3
141.06903	5.5
142.07805	13.8
142.34413	4.5
143.08597	31.0
145.10135	60.1
147.08026	7.5
147.11679	20.9
149.09750	6.0
149.13237	10.7
155.08525	17.9
156.09367	10.8
157.10139	65.7
159.11720	29.8
161.09618	25.3
161.13243	11.7
163.03873	5.8
163.11263	9.0
169.10127	27.9
171.11647	30.2
173.13280	23.0
175.14816	18.2
177.16345	11.9
181.10114	9.4
182.10913	9.5
183.11745	24.6
184.12436	5.2
185.13292	19.1
187.14775	16.3
189.16353	9.6
195.11726	12.1
196.12526	6.7
197.13239	41.4
199.14815	11.1
201.12688	7.9
201.16347	8.4
209.13258	16.9
211.14818	17.9
213.16470	10.1
215.14281	15.3
215.17935	5.8
223.14894	20.8
225.16339	12.1
237.16336	8.6
239.17961	11.1
251.17807	5.9
253.19522	19.0
263.18286	5.5
267.17456	6.2
267.20871	8.2
279.21109	21.0
281.18814	7.3
294.23352	7.9
319.23438	11.2
337.15411	5.7
337.24744	81.3
337.28540	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	337.2374
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
52.93507	0.3
52.97162	0.3
55.01868	0.4
55.05518	2.3
57.03416	1.1
57.07079	10.2
61.17947	0.3
67.05189	0.5
67.05511	5.2
69.07084	2.3
71.04978	0.6
72.87193	0.3
79.05505	2.0
81.07063	5.3
83.04963	0.7
83.08620	1.5
85.06554	5.1
91.05466	1.4
93.07043	2.5
95.04977	0.9
95.08605	4.8
97.06526	0.9
97.10168	0.6
105.07014	1.5
107.08585	2.2
109.05814	0.6
109.06528	10.7
109.10162	1.6
111.04499	0.4
111.08086	0.6
117.07002	0.6
119.08584	1.3
121.10121	1.6
123.08086	2.6
123.11688	0.6
125.09578	0.4
131.08626	0.4
133.10126	1.0
135.04414	0.5
135.08051	0.9
135.11681	0.6
137.05920	1.0
147.11690	0.8
149.09584	0.4
151.07564	8.5
151.54662	0.4
159.11696	0.5
161.13228	0.5
163.03961	2.1
163.05083	0.4
165.09053	0.7
173.13266	0.5
186.60780	0.3
193.12286	1.4
214.17886	0.4
235.16940	100.0
236.17271	1.3
239.48344	0.4
243.74640	0.4
291.22989	0.4
301.25589	0.3
319.22745	3.5
337.09348	0.6
337.14972	1.2
337.23669	4.1
337.27200	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03952	1.3
53.91489	1.0
55.01869	2.3
55.05513	6.4
57.07079	100.0
57.25076	1.1
63.69651	1.0
67.05508	5.9
67.26286	1.2
67.33411	1.0
69.07066	2.9
71.05002	1.6
78.69717	0.9
79.05489	6.5
81.07056	9.9
81.67697	1.0
83.05020	1.2
83.08618	2.6
85.06548	55.2
91.05486	5.3
93.07046	9.4
95.04944	4.2
95.08617	10.7
97.06536	2.1
97.10186	1.8
98.20740	3.2
105.07024	4.5
107.08608	7.2
109.06524	26.9
109.07260	1.3
109.10134	3.2
111.08084	3.0
117.07045	1.1
119.08621	5.7
121.06509	1.4
121.10159	3.7
123.08073	9.6
125.06004	2.0
125.09683	1.6
131.08537	1.9
133.06512	1.1
133.10120	1.9
133.93341	1.1
135.08058	26.9
135.11755	1.1
137.05994	2.6
143.08572	1.3
145.02809	2.0
145.10077	1.5
147.11710	2.8
149.09612	5.4
151.07542	4.7
151.11208	1.4
152.08385	1.1
153.12711	1.7
156.12071	1.0
157.10152	1.7
159.11688	1.7
161.09602	2.9
161.13286	1.0
163.03938	7.2
163.11044	1.1
165.12837	1.3
171.11659	1.3
173.13258	1.3
177.12798	6.0
179.14293	1.2
185.13249	1.1
189.12764	1.3
191.14333	1.8
195.13805	2.3
199.14893	1.3
203.14249	1.3
205.15952	1.3
217.15594	1.0
221.15324	2.4
228.93634	1.0
228.95708	1.2
235.16940	60.1
236.17322	1.1
251.16376	5.2
253.17902	1.7
263.16394	4.0
291.23264	1.6
309.24200	3.8
319.22693	71.7
320.22986	1.8
337.09827	1.8
337.14722	3.0
337.23660	24.2
337.26910	1.3
349.40866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(3-methyl-1-oxobutoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03930	0.5
55.01866	0.5
55.05511	2.5
57.03422	0.6
57.06806	0.6
57.07079	10.8
60.54654	0.3
61.07714	0.3
63.82394	0.3
66.31552	0.3
67.05515	4.4
67.22997	0.3
69.07062	2.4
71.04965	0.3
71.22989	0.5
79.05502	2.0
81.06659	0.4
81.07061	4.7
83.04963	0.5
83.08604	1.3
85.06548	5.5
91.05475	1.5
93.07057	2.5
95.08618	4.1
97.06522	0.6
97.10136	0.7
105.07025	1.2
107.08628	2.1
109.06518	10.6
109.07263	0.5
109.10146	1.5
119.08566	1.2
121.10111	1.1
123.08048	2.8
123.11698	0.7
125.06002	0.6
125.09612	0.5
131.08517	0.4
133.10129	1.4
135.07974	0.9
135.11690	0.6
137.05954	1.4
137.13261	0.4
143.08521	0.5
147.08029	0.4
147.11708	0.6
151.05708	0.4
151.07549	7.6
151.11156	0.5
157.10126	0.4
163.03957	0.7
165.09151	0.8
165.12759	0.6
171.11652	0.4
175.14876	0.5
184.53740	0.3
193.12236	1.0
235.16933	100.0
236.17168	1.6
296.25891	0.4
319.22717	3.6
336.04871	0.4
337.14456	0.8
337.23709	5.9
337.27350	3.0
338.26892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	Dihydroflexibilide
Peak:m/z	Relative Intensity
51.78948	0.7
55.01870	1.1
55.05513	5.4
57.07076	1.8
67.05504	4.9
69.07065	3.2
71.08627	2.0
71.33812	0.7
79.05489	4.4
81.07050	5.5
83.04977	0.6
83.08614	1.8
85.06545	1.3
91.05470	2.3
93.07033	3.8
95.04964	2.3
95.08620	5.5
97.06532	1.4
97.10170	1.3
99.08066	1.1
105.07018	1.9
107.04929	0.6
107.08607	4.2
109.06510	3.1
109.10147	2.3
111.04446	3.9
111.08102	0.7
119.08599	3.1
121.10158	2.5
123.08073	6.8
124.08870	1.2
125.05981	2.4
125.09668	0.7
131.08524	0.8
133.10156	1.7
135.04439	1.6
135.08084	3.5
135.11678	2.1
137.05991	1.8
137.09610	0.9
139.07539	0.9
139.12720	0.6
144.07964	0.6
145.02879	0.8
145.10155	1.3
147.07973	0.8
147.11652	0.9
149.09607	1.1
151.07553	11.6
152.08325	3.9
161.09589	1.5
163.03938	6.2
163.11148	1.1
165.07802	1.3
165.09111	14.0
165.12750	1.1
175.11215	0.9
177.09123	0.7
177.12798	1.0
179.10722	2.0
179.14317	1.4
181.05005	0.7
181.12296	0.8
191.10760	0.7
193.12273	1.4
193.35052	0.6
195.13788	2.0
207.13791	0.9
208.14558	1.4
209.15298	0.7
219.13817	3.5
221.15263	3.2
234.16214	0.8
245.62518	0.7
277.21445	1.5
291.23172	6.7
319.22675	51.7
320.23163	0.7
337.10126	1.6
337.23718	100.0
338.24097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2377
Annotation	HXB3
Peak:m/z	Relative Intensity
53.03928	2.3
54.62638	1.6
55.01865	6.6
55.05520	67.5
57.03427	3.2
57.07065	6.9
58.05892	1.5
58.91186	1.8
59.04995	2.5
59.87092	1.5
67.05517	21.8
68.57954	1.5
69.03431	5.3
69.07084	12.3
69.17895	15.7
71.04997	2.5
76.39091	1.4
77.24731	1.5
79.05507	19.9
81.07069	19.0
83.04973	5.7
83.08625	32.5
85.06547	4.4
91.05486	8.6
93.07064	14.0
95.04961	3.6
95.08627	15.4
97.06524	5.3
97.10183	64.7
99.08095	2.0
105.07057	8.1
105.98080	1.7
107.08607	24.3
109.06534	17.7
109.10166	10.1
111.08086	3.4
117.03430	1.9
117.07022	2.5
119.08582	4.5
121.10170	3.5
123.08055	9.1
125.05947	2.0
125.09644	58.3
133.10193	3.3
135.04504	2.1
135.08083	32.9
137.06004	4.2
137.09665	12.1
137.13289	3.7
143.10808	2.5
145.02873	2.6
145.10107	3.3
147.70244	1.6
149.09610	2.1
151.07547	8.7
152.08299	1.9
153.09108	3.9
161.09596	2.1
163.03932	12.7
165.09096	6.5
165.12775	21.9
167.14302	6.8
167.15601	1.8
171.10229	2.4
173.11877	3.2
175.11211	1.8
177.12770	20.9
179.14520	2.1
189.11252	27.4
189.12910	1.4
193.12267	5.3
219.13853	1.9
221.15474	2.7
229.07671	2.3
235.17090	2.9
263.16403	3.3
277.21423	2.4
291.23276	5.4
301.21600	4.5
319.22711	100.0
337.09869	2.2
337.14960	4.0
337.23761	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14624	0.1
53.03942	0.4
54.03464	0.3
54.45472	0.2
55.01883	0.2
61.54412	0.2
62.19678	0.2
67.32495	0.1
69.03423	0.6
70.67429	0.5
71.04992	0.4
77.03946	0.2
79.05491	0.6
81.03421	0.4
81.07047	0.4
86.02306	0.2
91.05475	1.1
93.07048	0.8
95.04968	0.7
95.08616	0.3
96.04465	0.2
97.02893	1.5
97.06532	0.2
103.05470	0.6
105.07053	0.2
107.04983	0.2
109.10160	0.3
115.05470	0.3
117.07038	1.3
118.06548	1.5
121.06519	0.7
123.04411	0.2
123.98176	0.2
124.03963	0.7
126.05575	0.4
126.57241	0.2
127.71067	0.2
129.06909	0.2
130.06509	0.8
135.04373	0.2
139.98825	0.2
142.06572	0.2
143.07295	1.0
143.08464	0.3
144.08090	36.8
145.08414	0.4
149.06018	0.3
154.06529	4.0
155.06087	0.3
155.07283	0.6
156.06831	0.5
156.08043	0.4
158.09641	0.2
163.03949	0.6
168.08073	0.7
169.07651	0.5
169.08897	0.3
170.08234	0.3
170.09656	4.6
171.09177	100.0
172.09579	1.5
172.10965	0.2
180.08086	0.2
182.09689	0.2
184.10023	0.2
194.08136	0.6
194.09726	0.2
197.10809	0.3
199.08774	0.3
237.10205	1.0
249.13986	0.3
251.11818	0.2
265.09793	0.3
267.11301	26.3
268.11664	0.6
269.12836	0.5
279.10184	0.2
291.14828	0.2
319.14413	1.0
337.15472	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1548
Annotation	(+)-Schizozygine
Peak:m/z	Relative Intensity
51.84690	0.3
52.92564	0.3
55.01867	0.3
57.65154	0.2
63.83593	0.3
66.60367	0.3
67.05511	0.3
68.65385	0.3
71.49117	0.5
79.05486	0.6
81.07076	0.6
81.45600	0.3
89.02366	0.3
91.05499	1.6
95.04974	0.9
100.37579	0.3
106.06549	0.9
107.04958	0.6
111.89519	0.3
115.31673	0.3
117.03354	0.4
118.06561	0.4
119.08643	0.3
120.08125	3.3
130.06548	1.3
132.08055	0.3
135.04434	1.2
143.07353	0.3
144.08073	3.1
145.02853	0.9
152.10722	1.5
152.18457	0.3
155.07259	0.8
156.08093	0.7
157.08736	0.3
158.05994	0.8
160.07625	1.0
162.31104	0.3
163.03911	5.3
168.08144	0.5
169.07643	0.3
170.09665	0.9
172.07452	0.3
180.08092	0.3
183.09219	1.1
184.09976	1.2
201.10294	1.0
208.09947	0.7
217.08830	0.4
218.09595	0.3
220.11365	0.5
221.10686	0.8
232.09929	0.3
233.10779	0.7
233.16435	1.3
234.11450	2.8
247.12317	10.5
249.13899	19.4
250.14333	0.3
259.12329	2.6
260.13062	0.7
266.22128	0.3
271.12177	0.4
273.13879	2.4
275.15451	4.2
277.13339	2.0
293.13058	0.4
293.16382	1.3
293.18811	1.0
301.13388	0.5
304.11957	0.4
309.07675	0.4
317.12857	1.4
319.14426	8.0
337.15479	100.0
338.15857	1.9
347.63583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.092
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
67.05503	0.7
67.28518	0.5
69.29511	4.8
71.84887	0.5
79.05480	2.0
83.04964	1.0
88.60864	0.6
89.03928	9.7
93.03439	0.8
95.04980	4.9
98.21545	0.5
105.75893	0.5
107.04964	2.9
117.03394	13.2
121.46186	0.5
135.04431	22.6
139.03874	1.4
145.02852	14.6
145.03870	0.6
151.03818	0.8
163.03912	100.0
164.04294	1.4
170.05763	1.1
181.04967	0.8
239.06961	0.7
245.36696	0.5
247.52498	0.6
267.06494	2.3
279.20612	0.6
291.06561	0.7
337.09283	2.1
337.14694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1546
Annotation	Naucleamide C
Peak:m/z	Relative Intensity
56.44382	0.4
58.44337	0.4
62.61892	0.4
68.01744	0.4
70.01248	0.8
70.01643	1.0
80.04998	0.6
98.20756	0.5
117.07026	0.6
124.04000	0.5
130.06534	1.2
130.81035	0.4
143.08629	0.5
144.08089	17.8
156.08113	0.8
167.07242	0.6
168.08037	1.1
169.07646	0.5
170.09685	2.8
171.09161	1.0
180.08040	1.0
194.09654	1.6
197.10811	0.6
207.09151	1.2
208.10045	2.1
221.10744	16.8
222.11467	1.2
223.12317	10.4
234.03612	0.5
249.10172	1.4
265.09857	2.1
267.11295	100.0
268.11661	1.2
319.14337	2.4
337.15546	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
61.40302	2.2
69.91595	12.4
74.99728	2.3
82.99834	2.9
85.02897	7.6
89.08112	2.2
89.10986	2.6
97.02903	2.6
101.00864	11.0
103.02458	3.8
112.21371	2.4
117.18469	2.3
119.01921	6.2
127.02392	4.8
127.03868	2.9
131.01859	3.0
133.03487	14.1
139.02379	4.0
143.01846	4.5
145.03450	9.2
151.04457	3.7
155.01866	9.6
157.03470	8.5
171.05042	3.2
173.03061	5.8
175.04526	6.9
181.03506	2.7
185.02896	3.9
187.04433	4.0
189.06142	2.7
199.04610	4.1
201.06059	3.7
203.03783	3.5
211.04561	4.3
217.01906	11.2
217.05672	3.3
221.05035	4.5
229.01843	3.4
235.06601	5.0
245.05295	3.7
247.06764	4.4
271.06464	3.7
277.07748	8.9
295.08728	10.4
322.10526	2.7
337.08966	100.0
356.39001	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03945	6.4
54.77712	1.3
55.05240	1.6
55.05514	30.3
57.03439	23.7
57.07070	5.3
65.03941	3.4
67.05511	100.0
69.03422	1.5
69.07073	25.5
70.05325	7.0
71.04986	4.6
79.05497	56.8
81.07061	88.1
83.05000	2.2
83.08628	10.4
85.06571	2.7
91.05486	35.4
93.07050	61.5
95.04958	7.5
95.08613	74.0
97.06548	4.4
97.10186	2.8
101.64714	1.5
103.05492	1.4
105.07037	28.8
107.08604	29.1
109.06526	3.0
109.10161	27.3
109.10846	2.1
111.08089	1.9
115.05452	1.7
117.07034	5.6
119.08595	23.4
121.10149	21.8
123.08091	1.9
123.11703	11.6
128.06268	1.8
129.07028	2.2
131.08578	17.8
133.10139	21.4
135.08043	2.1
135.11707	16.6
137.09641	2.9
137.13245	2.4
142.07788	3.3
143.08588	6.8
144.09456	1.4
145.10150	12.5
147.11703	8.2
149.13301	7.8
156.09425	2.3
157.10123	6.8
158.11023	1.4
159.11681	9.6
161.09650	1.8
161.13295	5.0
163.14839	2.3
169.10147	3.1
171.11728	5.6
173.13293	12.1
175.14861	4.2
177.71928	1.5
179.08614	2.5
181.10112	2.3
183.11813	3.0
185.13260	3.6
187.14853	4.0
195.11711	3.8
197.13310	4.1
199.14944	4.6
200.16199	1.5
207.11836	2.3
211.14987	1.8
223.14957	1.6
237.16403	2.0
243.21118	2.3
261.22260	6.3
277.19342	1.8
277.33215	1.6
335.25900	89.6
336.26181	2.0
359.40085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	3.4
55.01863	1.8
55.05273	1.4
55.05515	23.4
57.03442	26.4
57.07066	3.1
65.03925	3.5
67.05509	99.0
69.07067	21.4
71.04979	1.7
71.08639	0.9
79.05499	47.4
81.03416	1.4
81.07059	82.3
83.04973	1.8
83.08620	8.5
85.06548	1.5
91.05482	26.5
93.07047	54.5
93.50504	1.2
95.04976	3.9
95.08611	68.7
95.88721	0.9
97.06528	2.6
97.10156	2.7
105.04535	1.5
105.07028	16.5
107.08595	27.7
108.39139	1.0
109.06519	2.9
109.10157	25.7
117.07013	4.1
119.08594	9.8
121.09339	1.6
121.10149	19.9
123.08110	1.6
123.11717	7.9
131.08565	8.0
133.10152	8.0
135.11691	13.5
137.13254	2.2
145.10110	5.8
147.11662	5.1
149.09662	1.2
149.13220	6.4
159.11743	3.3
161.13303	3.3
163.14822	2.7
173.13260	3.0
187.14851	1.4
243.21106	2.7
261.22162	5.8
263.73560	1.1
317.24677	1.7
335.25821	100.0
336.26205	2.1
352.85651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	2.9
55.01878	1.1
55.05271	1.3
55.05517	16.1
57.03441	20.2
57.07067	3.3
59.10977	1.0
59.54961	0.9
65.03938	2.5
67.05508	68.8
69.07072	13.6
71.04961	1.2
76.56982	1.1
79.05495	35.9
79.42295	0.9
81.07059	74.8
83.04975	1.4
83.08633	6.8
83.27100	1.0
85.06532	2.2
91.05484	19.1
93.07047	45.9
94.07362	1.1
95.04966	2.6
95.08611	59.9
97.10188	2.5
99.08059	1.6
105.07037	14.7
107.08598	24.6
109.06509	1.5
109.10166	25.6
111.08067	1.9
117.07030	6.4
119.08588	11.3
121.10144	22.0
123.08047	1.5
123.11706	10.5
129.05515	1.4
131.08568	8.0
133.10133	9.8
135.11696	15.3
137.09619	1.6
137.13252	3.3
145.10150	8.7
146.76714	0.8
147.11702	7.5
149.13277	10.4
159.11696	6.4
161.13268	5.9
163.14830	4.5
165.12720	1.4
173.13243	6.2
175.14836	2.3
177.12683	1.1
177.16496	1.0
179.14366	1.9
187.14828	3.5
243.21182	6.2
261.22153	12.0
317.24689	2.5
335.25815	100.0
336.26233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.41818	1.0
50.73931	0.9
53.03936	3.8
55.01874	1.2
55.05512	24.7
56.31176	1.0
57.03439	24.3
57.07067	3.4
65.03936	5.3
67.05507	100.0
69.07069	26.3
69.14909	3.0
69.15318	7.3
71.04986	1.7
79.05496	48.0
81.03424	1.3
81.07059	96.3
83.04963	1.5
83.08626	10.4
85.06542	1.9
91.05487	28.0
93.07048	52.7
95.04968	3.5
95.08611	76.2
97.06525	3.8
97.10149	2.5
99.08067	2.0
105.04571	1.5
105.07033	15.8
107.08592	25.8
109.06522	3.3
109.10159	27.7
111.08106	1.9
116.01389	1.1
117.07033	4.8
119.08586	13.0
121.10155	22.3
123.08050	6.0
123.11703	8.9
131.08563	9.3
133.10150	10.4
135.11702	16.3
136.38165	1.0
137.13249	2.4
143.08600	1.0
145.10143	5.6
147.11674	6.0
149.09636	1.4
149.13258	8.0
159.11700	5.5
161.13257	4.9
163.14830	3.2
165.12688	1.3
173.13264	3.9
175.14845	2.5
179.14343	5.1
187.14865	3.0
201.16432	1.0
214.18889	1.1
243.21149	2.3
246.43053	1.1
261.22177	7.3
262.22409	1.6
278.41193	1.0
335.25827	89.0
336.25922	2.1
349.27499	1.8
350.27899	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.58432	1.2
53.03936	4.9
55.01870	1.9
55.05511	22.9
57.03438	25.1
57.07061	2.1
65.03925	3.3
67.05505	100.0
69.07072	22.8
70.72923	2.5
70.73264	2.9
71.04980	2.9
71.08640	1.4
79.05492	43.6
81.07057	92.0
83.04929	1.3
83.08617	8.3
85.06532	1.7
91.05485	22.4
93.07043	56.1
95.04962	4.2
95.08608	72.0
97.06509	4.1
97.10150	2.6
105.04505	2.4
105.07023	14.5
106.90540	1.3
107.08591	27.2
109.06527	2.6
109.10156	28.8
111.08070	2.6
117.07036	4.3
117.87805	1.3
119.08591	10.7
121.10142	20.3
123.08072	1.4
123.11697	10.9
123.88754	1.4
131.08551	7.6
133.10150	9.7
135.11679	15.8
137.13255	3.1
145.10153	6.4
147.11693	8.5
149.09602	1.4
149.13287	5.7
154.42938	1.3
159.11673	5.6
161.13240	4.7
163.14792	3.6
172.50574	1.3
173.13303	3.3
175.14833	2.3
187.14883	2.2
201.16356	1.6
222.68515	1.3
243.21114	4.6
261.22229	7.9
273.42633	1.4
279.23129	1.8
335.25812	99.7
336.25992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05521	29.9
57.03445	20.1
57.07074	7.8
59.58590	3.4
62.05871	3.2
65.03947	4.6
67.05180	6.2
67.05512	78.3
69.07072	32.8
70.83202	8.9
71.04985	19.7
79.05503	51.3
81.07063	100.0
83.04973	3.5
83.08630	13.8
83.93288	4.5
85.06566	5.7
85.79301	3.1
91.05493	66.7
91.36258	3.8
91.64849	3.6
93.07050	80.5
95.04981	20.8
95.08615	65.5
97.06561	3.6
97.10162	5.1
105.07043	83.9
107.08605	59.1
109.06511	12.3
109.10161	33.0
111.08092	3.9
115.05481	7.0
116.06276	8.8
117.07037	23.8
119.08593	86.3
121.10136	31.8
123.08080	8.4
123.11679	5.3
128.06221	5.4
129.07019	14.9
130.07855	7.5
131.08582	76.4
133.10152	99.6
135.08080	14.3
135.11716	19.8
141.07010	8.8
141.50415	3.6
142.07803	16.7
143.08569	32.3
144.09326	8.0
145.10143	68.9
147.08061	4.4
147.11676	17.9
149.09665	7.5
149.13298	4.7
155.08553	20.0
156.09375	18.7
157.10158	36.4
158.10960	18.6
159.11720	33.6
161.09674	13.7
161.13309	6.6
165.12846	4.2
167.08513	8.6
168.09319	4.0
169.10152	22.1
170.10899	12.3
171.11685	34.7
173.13283	59.2
175.14799	17.9
179.08594	7.1
181.10197	11.5
182.10909	7.5
183.11711	17.7
184.12515	6.0
185.13293	11.9
187.11246	5.4
187.14854	17.9
189.16478	7.7
193.10085	9.8
195.11726	18.0
196.12509	7.3
197.13245	26.4
199.14877	21.6
201.16425	3.9
206.11011	7.7
207.11739	10.0
209.13284	14.4
211.14882	16.4
212.15611	10.7
213.12790	5.7
219.11754	5.8
220.12683	4.5
221.13295	12.8
222.13959	5.3
223.14868	9.5
235.14816	10.3
237.16400	12.7
247.14822	8.0
251.18025	11.1
261.22205	5.4
265.19659	6.6
277.19333	17.9
279.17432	5.3
317.22519	6.9
335.23331	21.1
335.26035	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	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	4.4
67.05507	4.3
69.07074	100.0
69.42035	1.7
69.42445	4.3
79.05486	1.4
80.05020	1.4
81.07074	5.7
82.06577	1.0
91.05466	1.2
92.05009	5.5
94.06563	3.3
95.04946	1.2
97.06538	15.4
106.42988	0.8
108.04465	1.0
110.06061	1.0
115.05481	1.0
115.19899	0.9
117.06949	0.8
119.03648	1.1
120.04460	1.3
121.06552	1.0
122.06032	8.0
124.07579	2.2
125.06001	1.2
130.06531	1.4
137.05975	4.0
138.05525	7.2
140.07071	7.4
144.08087	2.5
145.08871	2.3
145.10095	1.4
146.09656	3.3
147.06773	1.2
148.03999	4.0
150.05518	79.8
152.03345	1.1
152.07123	0.9
157.08893	3.3
158.09682	1.7
160.07564	1.1
160.11212	0.9
161.08362	4.4
162.09193	2.6
164.03419	1.9
166.05011	28.9
168.06488	1.3
172.07631	2.0
172.11232	3.4
173.08385	2.5
174.09140	2.3
174.12781	5.8
176.03444	6.2
178.05031	1.1
182.04588	1.2
185.08302	1.4
186.07623	1.8
190.12289	4.7
192.02879	1.4
194.04550	4.4
200.07083	1.4
200.10773	8.1
202.12289	7.1
216.10182	4.7
218.08376	1.6
218.11787	28.6
226.08685	1.0
228.10226	17.5
229.13359	1.7
234.11319	4.0
241.09584	1.0
243.11322	2.0
244.09615	1.3
245.12746	1.4
246.11263	25.5
253.09598	0.9
255.11133	2.0
256.09851	0.9
261.08710	1.1
261.12274	1.0
266.72336	0.8
271.10843	4.0
272.09131	4.0
273.12335	2.6
274.10709	2.2
287.10281	7.6
289.11768	10.5
290.10126	1.9
299.10278	6.6
300.08615	1.1
303.14944	1.2
317.11343	27.8
335.12344	20.6
335.17493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56036	1.5
56.96566	2.5
69.58441	7.9
82.99853	5.8
94.99863	2.3
97.01402	1.9
98.20804	1.4
98.97599	9.1
101.00883	28.6
108.08058	1.4
110.97566	3.6
113.00872	14.0
113.04478	2.5
115.02439	6.6
116.98651	1.3
117.03353	1.2
119.01930	18.3
127.02428	4.3
129.03993	2.8
131.01900	17.0
131.05533	11.3
133.03497	4.6
135.04407	1.9
137.00874	5.1
143.01901	70.6
145.01736	1.3
145.03513	6.2
147.01433	1.8
147.05055	3.8
149.05496	1.3
149.06567	8.7
153.03975	1.5
155.01927	26.6
155.05528	5.4
156.02800	1.5
157.03513	2.6
158.99666	1.3
159.05017	5.0
161.02965	45.8
163.03894	7.5
167.05586	3.3
169.03491	3.6
169.07036	1.4
171.05016	3.9
173.03000	13.0
173.06602	36.4
173.08008	2.4
174.06929	1.4
177.06129	5.0
181.07120	2.0
185.03001	2.8
185.06602	41.2
186.69536	1.4
187.04468	1.9
187.08112	6.8
191.07620	8.9
197.02968	2.4
197.06667	2.5
199.08177	2.9
201.06143	3.0
203.04018	11.2
203.07675	14.4
209.06598	1.5
215.04080	2.0
215.07649	13.8
219.01845	2.8
221.05067	15.8
227.07617	5.5
233.08672	4.1
237.02754	2.4
257.08713	5.4
275.06302	6.3
275.09738	50.8
293.10815	100.0
294.11121	2.0
294.68381	1.6
307.07227	3.5
316.12164	1.6
335.07288	8.8
335.11932	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	335.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47515	2.9
71.47685	2.7
71.48046	4.0
82.99834	3.3
101.00867	16.5
113.00905	5.6
118.52405	2.7
119.01960	13.9
127.02423	13.4
131.01939	4.3
133.81615	2.9
143.01935	11.7
145.03462	23.6
146.03644	2.7
150.28000	2.8
151.02454	3.4
153.03946	3.4
155.01924	6.9
157.03479	9.1
161.02971	5.6
169.03497	48.0
171.05035	20.3
173.03004	6.4
179.01915	5.5
185.03004	8.9
187.04547	24.9
195.54524	3.4
197.02974	23.5
203.04050	8.5
205.03839	4.6
215.00528	3.1
215.04070	22.2
221.05119	12.9
222.95036	2.8
245.05157	15.4
259.06622	6.5
263.06155	10.0
264.00247	4.4
275.06158	100.0
276.06305	9.0
284.01895	5.9
293.07187	6.9
317.07294	6.0
323.43488	2.8
334.99921	3.8
335.09665	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03738	1.8
69.33014	12.3
76.25648	1.6
77.42670	1.7
82.99857	4.3
85.02894	2.5
97.02878	2.3
98.21473	3.2
101.00890	20.9
104.46322	1.7
109.01340	1.7
110.03848	2.0
113.00872	2.5
119.01926	13.4
127.02432	11.6
129.03954	3.1
131.01912	4.9
138.51877	2.8
142.95186	1.8
143.01906	14.6
145.03476	22.0
146.60402	1.8
151.02408	1.8
153.04012	4.2
155.01888	8.9
157.03473	8.1
161.02972	11.1
169.03477	53.0
171.01570	2.0
171.05035	15.3
173.02911	8.3
175.02704	1.9
175.04471	1.9
179.01836	3.9
185.02939	7.4
187.04559	27.7
193.50824	1.8
196.03287	2.3
197.02953	20.8
199.04533	2.3
203.03986	4.7
208.78891	1.9
213.02412	2.6
215.04007	22.8
221.05081	7.6
226.04343	2.0
227.04153	3.6
245.05086	14.4
247.06642	2.7
257.05136	4.2
259.06552	7.3
259.09052	2.1
263.06216	10.6
275.06131	100.0
276.06326	5.2
287.06296	2.4
293.07162	6.5
335.09613	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	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
70.34239	12.6
71.15160	4.1
94.15289	4.2
101.00877	8.6
107.92323	4.3
143.01929	11.0
145.03496	8.0
155.01920	7.5
169.03493	7.8
173.06651	7.3
190.56474	4.9
193.18301	5.0
209.58859	4.6
245.05089	4.8
275.06094	6.3
335.07352	100.0
335.11392	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	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01870	2.0
55.05512	13.8
56.05042	7.1
57.03444	1.7
58.06602	2.2
60.04531	7.8
65.03940	1.8
67.05508	29.6
69.07077	17.8
70.02953	1.4
70.09022	2.6
70.09417	2.7
71.04995	2.3
72.04521	15.8
79.05491	20.6
80.05003	4.0
81.03422	2.2
81.05794	1.7
81.07053	33.5
82.06580	5.1
82.07367	1.7
82.19028	1.1
83.04988	2.3
83.08614	5.9
84.08154	1.8
85.06542	1.5
85.58884	1.2
90.50224	1.5
91.05482	33.2
91.06028	2.2
93.05795	1.3
93.07048	26.6
94.06572	16.1
95.04961	5.0
95.07362	7.7
95.08614	29.0
96.08147	2.2
97.06522	4.2
97.10175	3.2
98.09711	7.4
99.08123	1.9
103.05479	1.3
105.07030	48.7
106.06557	2.6
107.08594	15.6
108.08129	8.4
109.06532	8.4
109.08923	1.7
109.10168	9.1
110.09647	2.4
114.09167	5.3
117.07025	8.5
119.08588	38.8
120.08117	4.9
121.06489	3.5
121.10166	9.9
122.09671	5.1
123.08088	3.1
123.11694	2.7
128.10678	1.6
129.06996	2.4
131.08577	13.3
132.54802	1.2
133.10135	27.8
134.09653	4.3
135.10515	1.3
135.11697	3.8
136.07579	1.5
136.11217	4.4
137.09634	2.1
140.10719	2.0
143.08586	3.2
145.10121	12.0
146.18388	1.2
147.11694	19.5
148.11188	2.5
149.09645	3.3
149.13257	2.8
150.12781	2.8
151.11183	1.7
152.10736	2.5
155.08539	1.4
157.10097	4.7
159.11728	7.9
161.13292	4.0
162.12779	2.5
163.11166	12.2
164.10689	1.8
165.12756	19.6
169.10127	1.6
171.11671	3.0
173.13301	6.1
175.11206	3.4
177.12770	12.8
180.13840	4.2
182.15425	2.8
183.11688	2.2
191.14243	1.6
192.13820	2.2
194.15436	2.7
195.86342	1.3
197.13225	1.4
198.14830	1.9
206.15477	1.5
210.14908	2.8
220.17036	2.6
222.14812	2.2
224.16513	3.2
236.16425	2.4
236.20039	7.0
239.18037	3.6
240.29707	1.2
245.22952	1.3
252.15900	2.4
256.20639	1.9
257.19086	12.0
260.21069	1.3
274.21634	19.9
275.20071	58.7
276.20313	2.2
288.22891	1.4
289.21570	2.2
290.21500	1.8
292.22708	80.2
293.23141	1.8
316.22751	10.5
334.23807	100.0
334.27408	8.9
335.25311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64543	0.6
52.99976	0.6
58.62671	0.6
66.64804	0.6
67.05502	0.9
69.21481	2.3
69.21899	3.8
79.05504	0.7
81.07036	1.1
91.05439	0.8
95.08611	1.3
98.98462	2.8
105.07029	0.8
159.11615	0.9
221.11552	0.7
251.12413	0.7
315.19196	0.8
333.20370	100.0
334.20639	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
66.49883	0.6
67.05509	1.1
71.47691	0.6
71.48051	0.6
79.05493	1.4
81.07067	0.8
91.05490	1.7
93.07034	1.4
95.08602	1.1
98.98476	4.7
105.07034	1.8
107.08602	1.2
113.96409	0.7
117.06978	0.9
119.08609	0.9
121.10179	1.1
131.08571	0.8
133.10155	1.5
145.10124	0.7
147.11699	0.8
156.33182	0.6
161.12839	0.6
167.07117	0.8
172.30299	0.6
173.13327	0.8
177.96140	0.6
235.13103	1.0
235.35828	0.5
251.12617	0.8
288.69321	0.6
315.19363	0.7
333.20404	100.0
334.20813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
67.05504	0.5
69.24928	0.7
69.25337	2.9
71.45553	0.4
77.48207	0.4
81.07053	0.6
87.27458	0.4
91.05493	0.7
93.07056	0.8
95.08616	0.4
98.98476	2.0
105.07042	0.5
107.08600	0.4
108.65517	0.4
115.79968	0.4
119.08523	0.4
121.06546	0.4
133.10126	0.4
147.78587	0.4
164.75610	0.4
200.44553	0.5
263.12524	0.7
290.92877	0.4
315.76782	0.4
333.20380	100.0
334.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80039	0.9
55.01868	0.9
57.03440	2.1
61.02924	3.2
69.03437	7.2
70.06590	0.9
71.05000	1.3
71.48276	1.1
72.16291	0.9
73.02899	1.4
77.69539	0.9
78.55455	0.8
81.03426	1.8
85.02916	27.1
86.00805	0.8
86.09712	1.1
87.04478	1.2
91.03939	1.3
91.05495	15.2
95.06113	3.0
97.02904	8.2
98.98464	2.2
99.04455	1.2
108.08134	1.3
109.02904	2.3
109.06529	1.7
110.09698	2.3
119.04958	10.3
120.08154	1.5
123.04478	1.6
124.07668	1.1
127.03968	5.2
137.05997	100.0
138.06348	1.9
145.04965	6.1
147.04453	1.1
151.07520	1.3
155.07060	6.0
163.03908	0.9
167.07074	1.1
172.09721	1.5
179.07095	1.5
180.08693	2.3
218.11530	1.0
263.09143	1.8
275.14087	1.0
334.16589	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.33538	3.6
53.03937	4.9
55.05505	7.6
57.03429	8.0
57.07079	19.8
59.04992	14.4
61.02924	14.0
67.05506	9.3
67.32343	3.4
69.03430	33.5
69.07060	12.2
70.97536	8.1
71.04994	8.0
73.02925	6.3
79.05479	4.3
81.03418	15.2
81.07030	6.2
83.08608	7.8
85.02911	100.0
85.06541	15.9
85.33569	3.1
87.04475	7.4
91.03928	5.4
93.07040	12.9
95.08609	72.3
97.02898	32.7
97.06509	7.1
98.98447	9.4
99.04427	5.8
99.08082	11.4
107.08591	14.4
109.02867	11.2
109.06499	11.1
109.10143	19.6
111.08059	10.0
113.09652	85.7
115.00607	3.1
116.80789	3.2
127.03912	15.0
127.11208	49.9
135.11699	23.0
137.13231	9.3
145.04958	18.7
153.12770	94.2
155.14308	13.3
171.13818	58.7
213.14943	5.0
301.11810	16.6
333.18951	5.8
351.81387	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	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03935	0.7
57.03430	2.1
58.45473	0.5
60.32850	0.5
61.02927	1.9
65.03945	1.3
67.05191	0.5
67.05497	2.9
67.52616	0.5
69.03439	5.0
69.24328	5.0
73.02922	1.9
79.05493	1.0
79.89160	0.5
81.03425	1.6
81.07056	1.0
85.02908	5.9
87.04460	1.9
91.05518	0.6
93.05762	0.7
96.08122	0.7
97.02898	2.4
103.12500	0.5
103.53761	0.5
103.95325	0.6
106.06550	4.3
108.08123	100.0
109.08450	0.6
120.06123	0.5
123.06803	4.1
124.07604	15.3
127.03884	1.2
134.06021	10.3
136.07588	14.4
137.08374	0.5
145.04959	0.6
152.07074	64.9
154.08655	1.6
162.09702	0.6
163.03841	0.7
170.08138	7.1
186.50267	0.6
200.08720	0.6
254.10361	0.6
291.03827	0.7
314.08551	0.8
314.12347	40.7
332.13419	51.2
333.13821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19702	0.5
60.77324	0.5
71.48817	0.8
79.05500	0.9
85.02879	0.6
90.55587	0.5
91.05485	0.5
92.35057	0.5
93.07041	0.7
98.98473	7.6
105.06983	0.6
107.04928	0.6
121.06495	0.6
131.08521	0.6
137.05994	3.0
144.99913	0.5
157.84264	0.5
160.07620	0.8
167.07028	3.0
169.07668	0.5
171.09975	2.7
176.98975	1.0
178.21632	0.5
197.07196	0.9
242.48843	0.5
255.10818	0.6
312.15067	0.6
315.09552	1.8
315.13113	0.6
315.19684	0.8
333.15207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.5
67.05491	0.5
69.97080	0.4
71.49706	0.5
72.95408	0.4
77.03864	0.4
79.05469	0.9
81.03416	0.5
81.07065	0.8
91.05484	3.5
93.07007	0.4
95.04957	0.6
97.92789	0.4
98.98486	3.7
103.05485	1.1
104.28102	0.4
105.07034	1.3
107.04949	0.5
107.08600	0.7
109.02938	0.8
109.10156	0.5
110.00279	0.4
115.05463	0.9
117.07037	4.4
118.06522	1.1
118.07418	0.4
119.04947	5.4
119.08597	0.5
121.06521	0.4
123.04507	0.5
127.03931	0.5
130.06534	1.4
131.04907	0.4
131.07324	0.4
131.08594	0.6
133.10123	0.7
137.05977	3.2
142.06613	0.7
143.07341	3.4
143.08366	0.7
144.08092	100.0
145.06541	0.7
145.08434	1.9
146.09669	0.7
147.04422	20.3
155.06044	0.9
158.06021	5.1
158.09663	2.2
159.09210	0.9
161.09575	0.7
167.07074	3.5
170.06020	0.6
171.09192	1.2
176.07043	0.5
181.08623	0.6
188.07053	1.1
190.08635	2.9
202.08673	3.6
204.96581	0.5
221.75609	0.4
227.11763	0.8
230.09753	0.5
241.09247	1.3
244.11304	1.2
254.09692	0.7
255.11285	4.1
256.11267	2.3
257.12109	0.5
258.09268	0.8
272.10724	1.3
283.10733	1.4
284.10635	2.5
288.10098	2.0
301.10904	0.4
301.13293	1.7
304.13333	0.4
315.12363	0.5
316.13348	3.7
325.11270	0.4
329.30377	0.4
333.12808	1.9
333.16031	30.4
334.16193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.9
55.79102	2.1
57.03430	6.7
57.07078	90.6
58.07410	2.3
65.49760	2.1
67.05511	27.5
68.04182	2.1
69.07068	15.5
69.27908	19.3
70.06606	10.3
71.08635	61.0
75.04471	3.0
77.79274	1.9
79.05478	2.7
81.06652	2.8
81.07063	28.6
83.08620	20.3
85.10191	30.0
88.07639	14.1
89.07940	3.8
91.05480	2.2
95.08616	46.7
97.10167	7.6
98.20736	4.2
98.98472	62.9
99.11745	3.3
102.09206	2.6
103.07598	3.0
106.08675	6.2
109.10172	28.8
111.11758	2.7
123.11713	10.8
137.13261	3.3
174.99167	3.0
176.99011	4.0
239.23630	15.9
257.24753	6.4
272.25739	2.0
277.50327	2.0
287.93652	1.9
313.27405	52.3
313.32980	7.3
331.11737	2.9
331.34006	100.0
346.63232	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	331.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51892	0.9
52.08953	1.0
55.01873	2.3
55.05500	3.8
57.03431	1.9
58.87900	1.0
63.10181	1.0
67.05510	11.4
69.03405	0.9
69.07068	5.0
69.98267	4.2
69.98618	1.2
71.04978	3.2
76.52030	0.9
76.67934	0.9
79.05491	8.4
81.07060	10.9
83.08594	1.9
85.06538	1.7
85.23796	1.0
91.05486	6.2
93.07049	10.7
95.04968	2.4
95.08612	9.5
97.06515	3.5
97.10155	3.3
98.98478	100.0
99.08089	1.6
100.98903	2.0
103.05506	1.2
105.07011	3.4
107.08592	6.3
109.10150	4.2
113.09658	1.1
116.99485	1.5
119.04983	1.1
119.08553	3.2
121.06474	1.4
121.10159	9.5
125.09602	1.4
129.06978	1.5
131.04933	1.3
131.08585	2.2
133.06516	1.1
133.10085	3.0
135.11682	7.2
137.06012	5.1
139.11139	2.2
144.08073	4.2
145.10132	2.9
147.11638	2.1
149.05974	2.0
149.13226	3.1
151.07523	2.2
152.06302	1.3
153.06973	2.8
155.08618	1.3
157.06537	1.4
159.11725	1.4
161.13316	1.3
165.07007	3.0
167.08565	1.5
168.05714	1.2
169.06454	1.3
173.11765	1.9
173.13264	1.2
174.99243	1.9
176.98901	7.7
181.06482	5.1
183.08043	3.3
185.05988	1.5
185.13205	1.2
196.05215	1.7
197.06047	1.5
198.06717	2.2
199.07530	1.6
209.05739	1.2
210.06781	3.6
211.07481	4.0
212.08282	1.5
213.05447	3.5
213.09000	1.4
214.69568	1.1
225.05389	1.4
225.09035	1.8
227.06995	2.0
228.07826	2.0
230.05675	1.1
238.06250	2.4
239.06975	1.6
241.04916	1.3
243.10066	1.8
251.04817	1.1
255.06541	2.0
256.07230	1.6
257.08060	1.8
259.20544	3.0
270.08804	1.5
273.07486	1.5
277.21609	8.1
281.07849	1.1
285.07687	1.2
295.22662	2.3
316.08957	2.0
331.04779	1.3
331.08466	1.9
331.11554	36.1
331.14676	2.9
331.17950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11411	1.3
53.03949	1.8
55.01875	1.9
65.73853	1.3
67.05501	1.4
67.25404	1.5
69.31402	9.8
69.31824	2.5
79.05524	3.6
81.03423	1.6
81.03964	1.4
81.07056	1.8
91.05486	34.0
94.04189	2.7
95.04971	7.5
98.21523	2.9
98.98475	42.6
103.05489	5.5
103.73582	1.2
105.07039	4.7
107.04944	8.8
109.06528	4.4
115.05485	1.9
119.04955	21.7
119.08545	1.7
120.08103	1.3
121.06551	7.9
122.03661	9.6
123.08077	2.7
128.06242	4.6
129.07028	17.0
131.04929	4.7
131.08557	1.5
133.06474	3.2
135.04503	1.6
135.08051	6.7
136.05229	3.6
137.05991	89.4
144.05692	1.5
145.06500	3.8
147.04401	1.5
147.08070	1.4
148.05231	1.9
149.05994	13.6
150.06827	1.7
151.03944	4.2
151.07556	100.0
152.06252	5.3
153.06985	2.7
157.06505	14.8
159.04553	1.5
161.05992	16.3
161.09650	4.1
163.07552	26.9
165.07043	13.2
165.09172	5.7
166.07790	2.4
167.07249	2.5
167.08572	15.5
169.06557	2.9
174.06779	8.8
174.99223	2.8
175.07513	3.9
176.98933	2.0
177.09227	2.1
178.07779	6.1
179.08522	2.5
181.05122	1.6
181.06496	7.5
182.07327	4.4
183.08102	1.4
189.09137	38.3
192.09364	3.3
193.06505	8.1
193.08549	1.3
193.10037	7.6
194.07295	4.5
195.08060	26.9
196.05142	1.5
196.08786	2.5
197.06032	7.2
197.09642	1.6
202.07800	1.8
203.08603	2.0
206.07208	1.8
207.10165	5.6
209.06049	3.5
209.09595	3.8
210.06790	10.8
211.07573	5.2
212.08395	5.8
220.08771	2.2
221.06032	10.6
221.09592	10.6
222.06641	2.5
223.07532	12.2
224.08372	5.7
225.05724	1.6
225.09094	14.5
227.07167	1.7
227.10690	34.6
235.07558	1.8
237.09167	2.6
238.06316	7.0
238.10074	3.2
239.07013	3.7
240.07777	3.3
241.08678	1.9
241.12115	1.6
249.09096	5.7
250.10062	1.7
251.06960	2.0
252.07857	2.1
253.08611	16.3
253.12225	16.0
255.06390	2.3
255.07353	2.3
255.10170	31.2
256.10950	2.0
266.09500	2.6
267.10107	7.1
269.08124	5.3
269.11475	2.0
270.08746	3.8
272.10461	4.1
281.11777	6.6
284.10501	1.8
285.11221	20.8
287.12817	41.1
299.08911	2.0
306.06543	1.7
313.14481	8.5
331.04468	2.7
331.08521	1.5
331.11877	6.3
331.15369	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	331.154
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.19754	1.5
53.03951	1.7
55.01864	1.9
67.05489	1.6
69.03445	2.1
71.48561	2.1
79.05489	2.8
79.79510	1.5
81.07080	3.6
85.02926	1.7
91.05486	28.9
93.07047	2.1
94.04177	4.1
95.04964	6.2
95.08657	1.8
98.98474	93.0
100.98897	2.3
101.13673	1.3
103.05459	7.3
105.07032	5.5
107.04955	8.9
107.08633	2.1
109.02859	2.8
109.06532	4.1
115.05470	2.9
117.07063	2.2
118.35329	1.6
119.04948	11.9
119.08610	1.7
121.06480	8.0
122.03689	5.1
128.06256	4.2
129.06989	9.6
131.04938	8.3
131.08644	2.0
132.08095	2.6
133.02896	1.9
133.06487	3.2
135.08096	3.2
136.05194	2.4
137.05991	63.1
141.06953	3.2
143.08551	2.5
145.06497	4.4
146.03636	1.7
147.04396	3.1
149.05984	11.2
151.03983	3.7
151.07553	63.7
152.06213	3.7
153.06976	4.9
154.07854	1.5
155.04961	2.4
155.08580	2.3
157.06502	13.9
160.07571	3.5
161.06003	13.5
161.09657	3.8
163.07529	19.1
165.07027	14.5
165.09157	4.8
166.07779	3.3
167.07065	4.8
167.08604	12.8
168.05728	4.2
169.06525	5.2
171.08055	2.1
174.06799	2.9
174.99246	4.3
175.07509	2.3
176.98961	7.4
177.05528	2.5
177.06963	2.0
177.09167	2.6
178.07806	6.0
181.06479	8.8
182.07301	5.6
183.08073	6.2
184.05272	1.7
185.06033	2.9
186.06799	1.6
189.09114	26.7
193.06537	5.2
193.10129	3.5
194.07298	3.7
195.08076	18.3
196.05219	3.7
196.13437	1.6
197.05998	7.9
197.09589	2.0
198.06784	2.1
199.07576	4.5
206.07196	1.8
207.04430	2.3
207.08177	2.0
207.10147	3.9
209.05974	5.5
209.09656	2.4
210.06799	9.9
211.07603	11.4
212.08354	6.5
213.05490	7.1
213.09105	4.2
214.06232	2.4
221.06053	6.0
221.09641	5.7
222.06677	2.0
223.07472	6.9
224.08406	2.7
225.05533	4.7
225.09131	9.0
226.06238	2.0
227.07089	7.2
227.10616	19.2
228.07776	3.4
230.05739	4.2
238.06233	7.6
238.09955	2.4
239.07117	4.3
240.07808	4.9
241.05069	2.5
241.08662	3.0
242.09392	1.7
243.06577	2.3
243.10196	4.2
249.09227	5.2
251.07089	2.8
252.07784	2.4
253.08624	14.2
253.12282	13.4
254.09308	1.8
255.06583	5.3
255.10156	21.2
256.07376	4.1
257.08221	3.6
267.10187	2.9
269.08142	5.0
269.11841	2.2
270.08691	2.9
271.09689	7.8
272.10364	2.4
273.07523	4.3
281.11758	3.1
285.08041	2.4
285.11166	15.2
287.12814	26.8
288.09955	2.6
299.09180	4.1
299.12662	2.1
313.14355	9.2
313.19116	4.1
316.09213	5.0
331.00916	4.6
331.11743	100.0
331.15372	5.6
331.20212	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	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22870	2.5
71.04033	5.1
79.05489	3.0
91.05492	32.9
95.04972	7.3
98.98468	29.8
103.05457	5.6
105.07056	6.3
107.04951	7.5
109.06541	5.6
119.04947	22.3
121.06507	5.5
122.03645	7.6
128.06248	4.1
129.06989	14.9
131.04906	7.4
133.06503	4.1
135.08047	4.0
137.05992	87.0
137.09563	2.5
145.06496	4.9
149.05988	17.0
151.03873	5.4
151.07559	100.0
152.06189	2.9
157.06549	15.4
160.53574	2.4
161.05986	10.6
161.09674	4.7
163.07581	21.7
165.07037	12.2
165.09158	8.0
166.07816	2.8
167.08557	20.4
174.06909	5.8
175.07549	4.5
177.09171	4.6
178.07787	8.9
181.06442	6.2
182.07275	4.3
184.08958	3.1
189.09111	34.2
193.06573	8.1
193.10083	7.7
195.08058	30.7
197.06052	5.3
203.08623	4.3
207.10207	3.9
209.05933	3.2
209.09637	4.1
210.06718	7.5
211.07516	3.3
212.08353	5.4
221.06006	8.8
221.09621	10.8
223.07567	15.9
224.08333	4.7
225.09151	11.9
227.07042	3.3
227.10672	38.0
237.05417	3.2
237.09116	4.3
238.06245	7.5
240.07846	4.5
241.08731	3.3
249.09177	9.9
253.08691	14.3
253.12273	18.8
255.10158	35.8
267.10178	3.6
269.08054	5.7
272.10318	3.1
281.11682	5.4
285.11249	23.0
287.12814	47.8
313.14319	8.1
331.11499	3.1
331.15265	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	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.09257	2.3
71.22945	5.8
74.31927	2.9
79.05508	4.7
82.52747	2.8
91.05485	34.3
94.04219	2.7
95.04965	9.0
98.98472	30.9
99.87383	2.5
103.05457	3.2
105.07049	7.2
107.04964	7.1
109.06502	4.7
115.05492	3.6
119.04961	21.9
121.06528	8.5
122.03651	9.3
128.06241	4.0
129.07030	14.8
131.04935	7.7
135.08105	5.6
136.05142	3.3
137.05984	84.6
139.13176	2.3
145.06541	2.7
148.05222	2.6
149.06006	16.1
151.07552	100.0
152.06268	4.2
157.06540	14.7
161.05945	15.8
161.09622	6.1
163.07596	20.9
165.07022	11.8
165.09111	6.2
167.08575	14.8
169.06471	2.5
174.06802	5.8
175.07643	6.3
178.07822	4.6
179.08607	4.3
181.06477	5.5
182.07281	4.4
189.09123	36.9
192.09309	3.5
193.06505	7.8
193.10141	8.6
195.08098	21.2
197.06003	11.1
203.86668	2.7
206.07393	2.6
207.10124	4.1
209.05684	3.4
210.06766	10.8
211.07605	4.5
212.08302	4.8
220.08958	3.2
221.06021	8.3
221.09645	15.2
223.07568	11.6
224.08348	8.9
225.09084	12.3
227.10696	32.3
237.09119	3.9
238.06210	6.8
239.10675	3.5
240.07858	4.6
249.09126	9.4
253.08627	15.9
253.12233	16.8
255.06688	4.7
255.10187	34.2
267.10208	7.5
269.08093	4.7
272.10504	4.8
281.11740	7.0
285.11252	23.6
287.12814	46.6
313.14389	17.5
316.09036	5.8
331.11615	15.3
331.15546	8.5
332.18323	2.9
342.14487	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
60.46431	1.9
64.72942	2.1
65.03950	2.2
69.51817	12.5
72.54347	1.7
78.70071	1.6
79.05497	4.0
81.07042	2.5
91.05482	29.7
93.07050	2.8
94.04186	3.1
94.06569	3.3
95.04955	4.9
98.98467	50.2
103.05475	6.1
105.07023	4.2
106.06566	3.6
107.04939	8.8
107.61019	2.2
108.04517	3.8
109.06512	3.9
110.06054	2.5
111.04356	1.8
117.07036	3.5
119.04941	16.1
121.06509	6.5
122.03654	8.5
122.06030	2.6
123.04439	2.1
123.08066	2.1
125.32004	1.8
129.06998	12.6
131.04919	4.9
133.06511	2.8
134.05951	3.7
135.08006	3.7
136.05183	4.6
137.05981	72.1
145.06496	4.8
146.03606	2.4
148.05153	1.8
149.05963	10.6
151.03911	3.5
151.07547	78.2
152.06224	3.4
153.07039	2.9
156.32175	1.9
157.06473	12.7
161.06007	16.7
161.09602	3.4
162.05505	6.7
163.07568	15.8
164.07024	2.2
165.06973	15.1
165.09067	3.7
166.07669	3.1
167.07198	3.5
167.08571	14.7
169.06439	2.7
174.06752	6.3
175.07581	4.8
176.07103	2.1
176.98920	3.9
177.07031	2.7
177.09142	1.8
178.07779	7.9
181.06502	5.1
182.07216	4.3
186.07854	2.5
187.08717	2.5
189.06602	6.9
189.09096	26.7
192.09448	1.9
193.06488	7.3
193.10159	6.5
194.07249	2.3
195.08032	18.8
197.06044	6.1
201.10175	4.9
203.08267	5.2
206.07304	3.4
207.10074	3.6
209.05901	3.2
209.09605	4.3
210.06779	11.1
211.07437	4.9
212.08421	3.4
212.10724	3.0
215.08203	12.0
215.11807	3.8
221.06006	11.6
221.09598	9.8
222.06807	2.2
223.07463	11.0
224.08186	4.3
225.05544	2.6
225.09004	9.6
227.10658	26.0
229.09752	14.0
237.05432	2.7
237.09187	2.8
238.06334	4.5
239.06944	3.3
240.07761	4.4
241.09657	2.0
243.11301	6.3
249.09181	5.9
253.08545	14.3
253.12169	12.2
255.06622	2.2
255.07304	2.6
255.10150	22.9
257.09186	8.3
257.12878	7.4
267.10297	5.3
269.08102	5.3
271.10571	7.2
272.10400	2.6
275.13818	2.6
281.11774	5.8
285.11331	19.9
287.12790	33.4
295.10675	3.2
303.13348	3.6
313.11182	13.8
313.15088	9.9
331.04510	6.3
331.12808	100.0
331.19604	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1444
Annotation	Gambirtannine
Peak:m/z	Relative Intensity
51.95116	0.5
55.01892	0.8
55.05501	0.6
56.54844	0.6
57.03424	0.8
59.20410	0.6
62.93394	0.7
67.05516	1.5
69.03434	1.0
69.07069	1.4
69.70340	0.9
69.70749	2.4
79.05502	2.1
81.07060	2.3
85.02894	1.3
91.05488	4.8
93.07094	0.9
95.04998	1.2
95.08607	1.6
97.02921	1.1
97.06560	0.8
98.20982	1.3
98.98475	68.7
100.98882	1.5
103.05489	1.5
105.07058	4.3
107.04916	1.1
107.08602	0.6
109.06516	1.0
109.10148	0.8
111.04446	0.9
115.05494	3.4
116.21572	0.8
116.99511	0.7
117.07035	4.7
119.04987	1.3
121.06548	1.6
122.03685	0.9
123.04464	0.9
127.03937	0.7
128.06267	1.2
129.07036	3.1
130.06587	2.3
131.04961	2.3
131.08578	0.7
132.08112	0.7
137.05983	8.0
137.09686	0.9
141.07039	2.1
142.06584	0.9
143.04977	1.5
143.07343	2.5
144.08095	71.4
145.06512	1.4
145.08490	0.7
145.10164	1.0
147.04445	0.7
149.05997	2.2
151.03983	1.1
151.07585	3.9
152.06274	2.5
153.05717	0.7
153.07030	3.2
154.06477	0.9
154.07710	1.1
155.08588	1.8
156.04469	3.0
156.05586	0.7
156.08125	2.2
157.06529	2.9
157.08875	1.4
160.07669	2.2
161.06041	2.8
163.07562	1.1
165.06998	6.0
166.07761	0.6
167.07146	2.6
167.08630	1.6
168.05746	2.5
168.08121	1.7
169.06488	1.6
169.07678	3.8
174.99246	3.0
175.07533	0.7
176.98976	5.7
177.05519	2.0
177.06956	0.6
181.06480	6.1
182.07298	1.4
183.04518	0.8
183.08116	4.4
185.06088	2.5
188.07079	13.6
189.05421	1.0
189.09143	1.5
193.06390	0.8
195.04427	0.8
195.08138	2.8
196.05281	2.2
196.13364	1.5
197.05949	3.6
198.06818	2.0
199.07597	1.9
208.05385	0.7
209.05910	2.5
210.06779	2.9
211.07542	6.1
212.04781	1.1
212.08437	1.9
213.05461	3.5
213.09070	0.6
214.06245	0.7
215.03474	1.8
215.07135	0.7
217.01448	0.7
221.06046	1.2
222.26407	0.6
223.00395	0.8
223.07596	1.3
225.01912	2.8
225.05540	1.3
225.09166	1.9
226.06317	1.5
227.07124	2.1
227.10789	1.4
228.00609	0.8
228.07875	2.3
230.05875	2.6
230.09703	0.9
237.05342	1.0
238.06261	2.9
239.07146	1.7
241.04987	1.6
241.08727	4.3
242.02295	1.0
242.05862	1.0
242.09660	11.0
243.02879	0.7
243.06651	0.9
243.10435	6.5
245.00989	1.0
245.08157	0.8
246.09148	0.7
250.09682	1.9
253.01711	0.8
253.08781	1.9
253.12448	0.9
254.09735	7.1
255.06552	2.5
255.10451	2.9
256.07419	1.7
256.10004	2.0
257.08292	2.4
258.09210	0.8
267.06665	0.7
267.09708	0.6
269.08243	1.3
269.10934	1.8
270.09140	10.5
270.11682	1.2
271.02386	7.2
271.09967	4.2
271.11993	3.9
272.10446	1.9
273.00372	2.8
273.07635	1.2
274.08765	1.2
281.08154	0.8
282.09125	1.1
284.06812	1.1
284.09595	1.3
285.11203	0.7
286.08713	0.7
287.12967	1.1
288.09943	1.5
299.01883	12.6
299.05130	0.9
299.09091	2.0
299.11963	9.6
300.02795	0.7
300.99869	4.6
302.11752	6.9
303.11948	1.7
313.14569	0.8
313.19110	1.4
315.11447	1.9
316.02176	9.2
316.08960	4.9
329.12793	5.7
331.04617	28.2
331.11493	27.2
331.14600	100.0
332.14801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.03960	0.8
55.01868	3.3
67.05484	1.3
72.96981	1.0
79.05491	2.1
79.62688	0.7
80.04994	0.9
81.07063	1.6
91.05486	10.3
94.04220	0.9
94.06556	2.1
95.04972	2.1
98.98469	26.6
101.34998	0.8
102.47565	0.8
103.05469	1.4
105.07038	1.4
106.06530	1.6
107.04961	2.7
108.04487	3.6
109.06567	1.7
110.06019	1.5
119.04932	6.9
121.06495	2.5
122.03648	3.0
122.06029	3.6
128.06244	1.4
129.07024	5.2
131.04961	2.2
133.06522	1.1
134.06009	2.0
135.08049	1.2
136.03943	2.2
136.05234	1.1
137.05983	25.7
138.27058	0.7
144.08076	1.5
145.06509	2.3
146.07301	0.7
148.69293	0.8
149.04866	0.7
149.05994	4.8
150.05597	1.2
151.03958	1.2
151.07556	29.9
152.06183	1.8
153.05350	0.8
153.06998	1.4
157.06467	4.0
158.09706	0.9
161.05992	4.5
161.07024	1.4
161.09621	1.6
162.05486	6.7
163.06300	1.4
163.07532	7.6
164.07104	2.2
165.07016	5.4
165.09155	0.8
167.07193	1.3
167.08549	5.9
168.06702	1.1
169.06470	1.0
170.09660	1.7
174.06815	2.2
175.07510	1.4
176.07204	1.7
176.98943	1.4
177.05441	0.9
177.09134	1.3
178.07799	1.5
180.05812	0.9
181.06480	2.3
182.07356	2.1
183.07976	1.4
184.07561	1.1
186.07857	1.8
187.08694	2.3
189.06615	7.6
189.09106	13.0
191.08571	1.3
193.06517	2.2
193.10155	2.0
195.08047	8.3
197.05931	2.0
197.10895	0.8
198.09166	1.4
199.08688	1.7
201.10210	5.5
203.08351	2.3
207.10149	1.6
209.06023	1.5
210.06805	3.4
211.07472	1.9
212.08513	1.1
212.10779	1.1
213.10243	3.0
214.07414	1.4
215.08200	12.1
215.11717	4.9
221.05998	2.8
221.09659	3.0
223.07574	3.5
224.08414	0.9
225.09082	2.0
227.08521	1.4
227.10672	8.3
228.08884	1.1
229.06218	1.0
229.09763	11.6
229.13432	2.7
231.11354	0.9
237.09250	1.5
238.06371	2.6
239.11888	2.7
240.10205	1.4
241.09837	1.7
243.07761	2.0
243.11325	6.1
249.09259	1.0
253.08501	4.5
253.12189	5.5
255.10164	9.8
257.09314	7.7
257.12839	6.1
267.11301	4.5
269.08670	1.1
269.12244	0.9
270.09027	1.2
271.10800	7.1
272.10529	1.7
275.13971	3.7
281.11755	2.5
285.12183	12.0
287.12769	12.9
295.10934	3.9
299.09702	0.9
303.13339	4.2
313.11618	19.2
331.04630	2.2
331.12875	100.0
332.13068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.0
55.46350	2.3
56.05022	7.3
57.07091	22.2
60.62568	2.5
67.05501	11.6
69.82285	4.3
69.82672	12.6
71.08633	8.4
74.06098	13.0
79.05498	8.5
81.07058	12.8
83.04987	3.3
84.04520	94.2
85.10180	5.5
87.04471	7.5
88.07612	4.2
93.07041	8.4
93.07581	2.5
95.08626	13.1
98.98480	100.0
100.11263	5.8
102.05555	37.3
105.07094	3.4
109.10188	4.9
120.06596	11.1
130.05026	84.9
135.11725	4.6
139.11224	4.4
148.06068	80.1
174.99281	5.0
193.12234	3.0
195.13553	2.4
206.08765	2.5
208.05247	4.8
277.21793	4.1
295.22443	3.4
295.40527	3.0
315.08585	4.6
330.11099	5.6
330.29953	12.2
330.33777	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	329.0634
Annotation	Asp-Ser-OH
Peak:m/z	Relative Intensity
61.11879	6.3
63.73411	6.7
66.02438	6.8
68.44068	7.0
70.00867	22.0
74.54675	6.2
80.59847	6.8
98.98466	12.5
101.00899	11.9
145.03445	11.3
166.39400	7.9
169.03459	10.2
185.02945	7.8
245.04984	7.4
329.06345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05506	0.7
57.03440	1.1
63.45742	0.4
67.05499	1.8
69.03436	2.7
69.07064	0.9
71.05016	0.6
71.48538	0.7
73.02910	0.8
79.05490	1.5
81.03410	2.8
81.07052	2.4
83.04951	0.7
85.02914	5.8
85.06529	0.5
86.59945	0.4
91.05489	2.7
93.07047	4.6
93.86945	0.4
95.04993	1.4
95.08601	3.0
97.02881	1.9
97.06504	0.6
98.98473	100.0
99.04452	1.1
103.05474	0.5
105.07051	2.7
107.04946	1.3
107.08594	14.4
108.08111	0.9
108.43665	0.5
109.02893	1.0
109.06538	1.1
109.10173	2.2
111.04435	0.7
115.05496	0.9
116.99532	1.2
117.07054	1.2
119.08572	2.3
121.02893	1.8
121.06483	2.6
121.10160	5.3
123.04467	1.3
123.08054	0.5
124.07544	0.7
127.03915	1.2
130.06552	0.5
131.04944	0.6
131.08562	1.5
132.07965	0.6
133.06461	0.6
133.10139	1.8
134.03595	0.6
135.04437	0.9
135.08084	0.5
135.11693	0.7
137.05988	1.4
137.09589	1.1
143.08589	0.8
145.06496	0.6
145.10127	1.3
147.08081	0.6
147.11694	0.9
149.06020	0.8
149.13255	5.9
151.03906	0.7
151.07599	0.9
159.11676	1.0
161.05971	0.4
161.13310	1.8
162.91705	0.4
163.03902	3.1
167.07077	0.7
167.14340	2.1
171.11642	0.6
172.03966	0.7
173.08252	0.5
173.09781	0.6
174.99229	7.0
175.07576	0.8
176.98918	4.7
177.12735	1.5
179.14352	1.6
185.02388	1.1
200.04695	0.7
204.06522	1.0
207.13853	1.2
210.21968	0.5
211.14911	0.6
227.14406	0.5
228.00716	0.7
229.04904	0.5
233.15401	0.8
238.99696	0.7
241.01385	1.0
241.08623	0.5
245.15399	1.0
251.10756	0.5
252.99728	0.7
253.05206	0.6
254.08536	1.7
255.06618	0.6
257.15369	1.2
268.07574	0.6
269.00790	6.7
269.08252	0.5
271.02499	1.0
271.06174	0.7
275.16425	2.9
280.24084	0.5
283.09775	1.3
285.04028	0.5
285.50156	0.5
286.01093	0.9
286.08328	0.8
293.17438	2.7
297.00299	7.4
298.07315	0.5
299.01907	0.7
299.05270	0.5
301.10803	0.5
311.17923	2.8
314.00671	2.1
315.08780	1.2
329.02985	19.3
329.06644	5.9
329.10382	1.2
329.13846	2.1
329.18771	3.9
330.03311	0.6
330.10709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.2
55.05514	38.3
67.05518	13.1
69.03427	3.7
69.07068	21.6
70.15701	5.0
79.05498	23.1
81.03415	1.6
81.07059	16.1
83.04978	5.8
83.08623	24.7
91.05482	15.9
92.05796	3.6
93.07034	7.5
95.04935	2.1
95.08604	6.4
97.06543	2.8
97.10175	43.6
98.98473	100.0
105.07034	12.5
107.04951	3.6
107.08600	53.1
109.06503	2.0
116.99541	2.2
117.06995	2.6
119.04954	3.8
119.08569	5.4
120.05270	3.8
121.06475	1.7
121.10131	3.1
123.11716	1.9
125.09634	38.9
131.08591	2.1
133.10121	4.6
135.08093	4.3
137.06001	14.4
138.06328	10.1
142.10414	1.6
143.10724	1.6
145.10130	4.6
147.11685	5.2
149.09602	5.6
151.07549	19.4
152.07870	12.7
153.09105	2.2
159.11703	3.1
161.11986	1.5
161.13191	1.9
163.11127	2.6
171.10175	7.6
171.11578	2.7
174.99261	7.9
176.98868	2.2
179.14287	2.7
181.12254	2.7
189.08621	3.6
189.11223	52.9
203.10631	4.3
204.11005	10.5
212.44800	1.9
257.19058	4.7
275.20065	50.0
293.20981	2.9
303.90771	1.6
328.16238	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
55.10689	1.4
67.05487	4.7
69.07052	3.6
69.43205	12.0
79.05489	3.5
81.03380	1.7
81.07051	7.3
91.05498	2.7
93.07042	2.8
95.08623	2.5
97.06513	1.8
98.09684	4.7
98.98473	100.0
105.07038	3.6
107.08625	1.7
108.22658	1.6
111.50868	1.5
117.56543	1.8
121.10119	3.0
133.10146	2.5
135.11705	2.9
147.51535	1.6
174.99199	6.1
176.98979	2.2
181.12268	3.6
275.20111	2.0
328.08841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
67.05499	0.9
69.03436	1.2
69.50579	1.0
69.50980	3.1
79.05507	1.7
81.03432	2.4
81.07046	1.0
85.02920	1.3
86.45551	0.6
91.05482	1.6
93.07045	2.4
95.04975	1.7
95.08662	0.9
97.02905	0.7
98.20760	0.8
98.21329	1.9
98.98476	92.3
103.05478	0.8
105.07027	0.7
107.04959	1.3
107.08608	3.8
109.06503	0.9
109.10261	0.8
116.99552	1.1
117.07080	0.6
119.08546	0.9
121.06551	1.7
121.10143	1.3
123.04422	1.2
129.03397	1.3
133.06517	0.6
137.05989	1.7
145.06459	0.9
149.13264	1.2
151.03922	0.8
157.02887	2.5
163.03944	4.8
163.05174	1.0
163.07620	0.9
174.03142	1.1
174.99246	5.3
176.98895	3.4
177.12769	0.5
183.00748	1.1
185.00836	0.9
185.02362	6.7
188.17210	0.6
199.03830	0.7
202.02713	2.1
208.05182	0.6
209.06055	0.8
211.00291	2.1
213.01912	2.2
225.01820	3.0
228.00545	2.5
228.04051	0.8
229.01471	1.0
229.30231	0.7
230.02074	3.9
231.03006	1.0
238.99738	4.5
240.12756	0.6
241.01373	2.9
253.01384	2.0
255.99957	1.1
258.01627	2.2
269.00830	40.9
271.02460	6.4
273.04065	1.1
283.09821	1.1
283.99432	1.2
286.01172	5.4
293.16898	0.7
297.00323	46.9
298.00949	2.4
298.98853	0.9
299.01910	5.7
311.12814	0.9
311.17645	1.7
312.99841	2.4
313.97308	1.1
314.00629	13.6
329.02954	100.0
329.10339	2.2
329.13834	2.3
329.18634	1.8
330.03278	1.8
350.84885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
56.80545	0.7
57.03432	1.7
59.05000	19.3
66.46828	0.8
69.03421	3.0
70.06591	0.8
70.73215	0.9
70.73546	1.8
73.06557	38.4
79.05505	1.7
81.03422	1.1
85.02901	4.9
86.09691	0.9
91.05473	2.0
93.07030	3.0
94.06557	2.1
95.04976	1.0
97.02878	1.6
98.98470	100.0
103.05427	1.8
105.07041	1.3
106.06531	1.3
107.04981	1.5
116.99524	1.9
117.09130	4.8
120.08115	7.5
127.03929	0.8
130.04990	2.9
131.10678	3.4
133.06497	0.8
134.09660	1.6
135.04405	1.4
136.07610	0.9
136.89510	0.7
137.05981	1.4
138.05505	1.8
148.07576	20.2
149.11737	21.1
150.09128	3.0
163.03912	1.2
164.04276	1.3
166.04823	1.2
166.08635	5.7
166.12119	0.8
174.99232	6.8
175.99585	1.2
176.98915	2.2
180.06577	2.3
180.10207	1.8
181.04971	3.2
181.29021	0.7
182.08144	1.0
190.08649	9.2
208.09673	2.6
226.10704	1.2
244.12923	0.8
250.99846	0.8
252.12360	7.7
296.11374	5.4
325.10144	0.9
328.09241	0.8
328.15036	7.4
329.12003	2.3
329.18478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24763	1.2
54.11468	1.1
55.05511	4.4
61.91117	1.0
67.05509	9.2
69.03448	1.5
69.07062	4.7
69.12128	3.7
69.12545	10.2
74.12256	1.1
79.05502	7.3
81.03425	1.4
81.07058	8.3
83.05011	1.6
83.90311	1.2
85.06516	1.4
91.05488	6.5
93.07052	10.4
95.04967	3.0
95.08629	4.7
97.06559	1.7
97.10166	2.6
98.20702	2.8
98.98478	100.0
99.98811	1.2
105.07048	6.1
107.08604	4.6
109.10166	3.7
117.07089	1.5
119.08620	3.3
121.10184	4.3
125.09653	2.3
131.08589	1.8
133.10135	2.9
135.07994	1.2
135.11749	2.6
137.09650	2.2
161.46188	1.2
173.11841	1.5
174.99237	8.5
175.99652	1.6
176.98917	3.3
229.92882	1.2
252.99738	1.8
275.20135	5.1
328.08871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.1
70.30417	8.4
79.05485	7.8
81.07045	12.7
83.83385	2.7
91.05540	6.0
93.06995	3.8
95.08616	5.4
98.98470	100.0
105.07024	6.1
107.08607	3.1
109.06516	5.7
119.08573	2.9
123.08031	3.0
147.11624	3.4
149.09636	3.2
174.99193	8.3
247.20523	3.3
275.20074	19.5
293.21045	8.3
298.93558	2.9
299.46579	2.7
328.32166	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	328.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79880	0.3
53.03939	0.9
61.02925	0.6
67.60909	0.3
69.03424	1.3
71.48445	0.6
73.02913	0.5
73.24437	0.3
77.03918	0.4
79.05500	2.9
80.05034	1.3
81.03426	0.5
85.02905	2.3
87.04458	0.4
91.05479	2.6
93.05781	0.3
93.07049	2.6
95.04964	0.9
96.82004	0.3
97.02889	0.9
98.98479	13.6
103.05482	5.0
105.04556	0.4
105.05777	0.6
105.07043	0.5
106.06550	0.4
107.04993	0.4
118.06561	1.1
119.07335	0.7
120.08123	16.2
127.03896	0.4
130.06531	2.7
144.08095	0.6
145.08450	0.4
148.07591	100.0
149.07945	0.5
166.08684	6.2
174.99237	1.0
176.98959	0.3
195.45680	0.4
199.96318	0.3
252.12212	0.5
328.17596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
56.71558	0.3
61.02921	0.7
67.05504	0.4
69.03443	1.3
70.82952	0.4
70.83288	0.3
71.04980	0.2
77.03914	0.5
79.05487	3.0
80.05016	0.8
81.03424	0.6
81.07072	0.3
85.02910	1.9
91.05474	3.0
91.56936	0.2
92.04998	0.3
93.07053	3.2
95.04963	0.8
97.02898	1.1
98.98473	16.9
100.11272	0.5
101.11576	0.3
102.91405	0.3
103.04816	0.4
103.05477	5.6
104.05019	0.3
105.04533	0.3
105.05798	1.2
105.07059	0.3
106.06559	0.4
107.04947	0.6
109.02849	0.4
110.06075	0.3
118.06565	1.6
118.09329	0.2
119.07378	1.2
119.36057	0.3
120.08117	16.4
121.06522	0.5
124.49895	0.3
127.03906	0.4
130.06540	2.7
133.05249	0.6
137.05962	0.4
142.12271	0.5
144.08083	1.1
145.04927	0.3
145.08423	0.9
148.07584	100.0
149.07950	1.2
151.07491	0.3
166.08656	6.9
174.99263	1.4
176.98962	0.3
182.08148	0.3
252.12218	0.4
258.07300	0.3
268.13354	0.3
318.10571	0.3
328.13730	0.4
328.17676	0.3
328.29028	0.5
347.64206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1543
Annotation	3-Acetylmorphine
Peak:m/z	Relative Intensity
53.03942	1.4
59.42786	0.5
69.85080	2.4
69.85490	0.8
79.05497	19.1
93.07040	2.0
98.98473	13.3
103.05473	59.0
105.07018	2.3
107.04960	31.6
118.06531	1.0
120.08109	76.3
121.06495	1.5
121.08474	0.8
131.04936	25.5
133.08856	1.0
144.08086	4.0
145.08466	2.7
149.06010	1.5
171.10120	0.8
220.23378	0.7
238.53464	0.6
252.15807	2.2
268.13333	100.0
269.13699	2.2
296.12793	1.0
296.18246	1.0
310.20206	2.6
328.15424	54.9
328.20755	3.3
329.15585	1.3
335.55499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.05504	10.3
57.03429	4.8
57.07079	6.9
67.05507	29.2
67.43303	2.4
69.07075	13.3
69.86922	13.6
72.81435	3.2
79.05492	22.1
81.03423	5.2
81.07066	29.6
83.04972	4.6
83.08622	5.2
85.06551	5.6
91.05482	29.6
91.68326	2.6
93.06485	4.8
93.07048	69.6
93.63700	2.5
95.04972	62.1
95.08614	43.2
97.06523	14.2
98.98471	100.0
103.05395	3.1
105.04510	4.2
105.07031	49.8
107.08595	37.9
109.06524	12.1
109.10158	23.5
115.05492	3.7
117.07027	12.0
119.08592	55.4
121.06454	14.4
121.10140	27.5
122.15791	2.6
123.08065	8.1
123.11765	4.6
128.06239	5.7
129.07013	6.1
130.07805	3.7
131.08591	28.1
133.06447	3.1
133.10129	48.6
135.08037	11.9
135.11697	11.4
137.09599	4.4
141.06911	3.4
142.07785	10.0
143.08557	18.2
144.09386	6.6
145.06395	2.7
145.10149	38.9
147.11679	16.2
149.09561	5.3
149.13232	3.5
153.07048	4.0
155.08566	9.7
156.09360	3.4
157.10132	31.5
159.08096	4.9
159.11705	38.8
161.09645	17.2
161.13242	4.2
167.08644	4.7
169.10178	14.2
170.10886	3.2
171.11719	11.8
173.09639	3.2
173.13287	16.8
174.99223	12.6
175.14874	20.9
179.08542	3.9
180.00325	3.0
181.10110	5.8
183.11723	11.6
185.09630	3.0
185.13274	10.4
187.11215	6.8
187.14783	15.0
193.09949	3.3
195.11754	3.8
196.12422	2.9
197.13242	10.3
199.11266	3.1
199.14845	9.1
201.12646	2.7
201.16415	5.2
201.80417	3.1
203.14488	4.6
205.15735	2.9
209.13246	10.9
211.14835	8.1
213.16344	3.6
215.14290	4.4
217.15971	5.3
225.16449	4.2
253.15779	5.8
281.22693	3.1
309.22067	10.9
327.07944	4.2
327.23264	20.3
332.78333	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	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01863	5.4
55.05283	2.2
55.05512	31.4
67.05507	11.2
69.07055	5.9
71.04941	1.9
71.86390	2.1
79.05505	12.8
81.03418	5.7
81.07054	22.7
83.04951	7.0
83.08623	16.5
88.33945	2.2
91.05479	6.4
93.07028	6.2
95.04984	3.1
95.08599	7.6
97.06497	3.1
97.10172	36.8
97.78300	2.4
98.98468	100.0
105.07018	3.5
107.08609	12.2
109.06503	2.6
111.04449	3.6
119.08560	3.0
121.06528	3.2
121.10099	2.2
123.08059	14.8
125.08894	3.1
125.09637	30.2
126.91137	2.5
133.10138	2.8
135.08072	4.8
137.05942	2.8
137.09599	3.4
139.11197	2.8
143.10703	4.1
151.07599	3.2
163.11180	3.3
165.09142	3.2
171.10208	11.3
174.99280	13.1
177.23071	2.4
181.12234	2.6
189.11214	38.2
199.88034	2.2
269.21188	2.6
273.18512	6.1
291.19556	26.7
309.20645	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.9
53.03935	9.3
55.01869	5.5
55.05499	9.7
57.00994	2.2
57.07067	4.3
58.75602	2.2
65.03938	2.9
67.05508	20.9
69.07072	12.1
70.93591	5.2
77.03912	3.3
79.05495	15.0
81.03409	2.6
81.07057	20.3
83.08604	3.9
85.06516	3.3
91.05496	26.5
93.06489	3.4
93.07047	42.9
95.04974	52.5
95.08611	34.6
97.06534	13.6
97.10190	2.8
98.91708	2.1
98.98466	100.0
103.05443	5.7
105.07035	37.9
107.04907	2.5
107.08604	27.2
109.06518	5.2
109.10171	11.2
115.05452	3.9
117.07038	9.8
119.08585	39.5
121.06558	10.7
121.10140	16.2
123.08071	9.3
123.11695	3.3
124.89313	2.4
128.06227	5.7
129.06982	6.3
130.07758	3.0
131.08577	21.2
133.10133	27.3
135.08020	6.2
135.11688	8.6
137.05963	5.7
142.07751	11.0
143.08549	15.8
144.09309	4.4
145.06441	2.7
145.10115	25.7
147.11673	6.6
151.07539	2.8
152.06233	17.3
153.06996	8.9
153.93872	2.5
155.08595	3.7
156.09357	3.3
157.10147	17.5
158.10887	2.7
159.08072	4.4
159.11687	25.2
161.09610	10.0
163.07436	3.8
163.11194	3.5
168.05708	4.4
168.09261	2.2
169.06413	2.2
169.10120	8.6
171.08011	4.5
171.11682	10.2
173.13252	8.6
174.99268	12.2
175.11186	2.8
175.14864	11.6
179.08574	3.0
181.10089	3.6
183.11684	6.5
185.13251	8.0
187.11107	3.8
187.14871	5.5
188.08340	6.6
189.16306	2.7
195.11736	3.2
197.13226	8.3
199.14809	5.4
201.16460	3.3
203.10683	4.1
205.15938	3.2
209.13260	5.9
211.14857	5.2
217.15923	2.9
218.89647	2.2
223.14577	2.6
225.16461	4.5
228.09387	3.9
233.03659	15.1
235.14833	3.7
251.04668	7.5
253.15750	3.5
283.34122	2.2
309.22177	8.5
327.07846	57.9
327.15833	2.8
327.23166	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	327.2067
Annotation	19-Epiiboxygaine
Peak:m/z	Relative Intensity
53.36639	0.7
67.05503	1.7
69.42722	4.2
69.43123	2.1
70.06573	1.0
71.04964	1.4
79.05471	3.0
81.03399	1.4
81.07038	2.8
82.06596	1.6
91.05479	5.7
93.07032	3.8
94.06554	1.1
95.04999	1.1
95.08643	1.1
97.34077	0.8
98.98470	94.4
103.05494	1.2
105.07023	2.8
106.06531	2.3
107.07293	1.1
108.07439	1.2
108.08119	13.6
109.06509	2.1
110.09669	3.2
115.05486	1.1
116.99482	0.9
117.05721	1.0
117.07017	5.2
119.08580	0.9
120.08083	2.9
121.08887	1.1
122.06069	1.1
122.09662	6.8
123.04421	1.4
123.08061	1.7
124.04580	1.0
125.09606	1.9
129.06979	2.6
130.06543	8.1
131.04854	0.9
131.07259	1.4
131.86179	0.9
132.08061	2.8
133.06522	1.1
134.09674	5.9
137.05974	4.6
138.09120	2.6
143.07275	4.6
144.08093	99.0
145.06548	1.0
145.08429	8.5
146.09627	3.2
147.04395	1.0
151.03902	1.0
152.10744	4.9
155.07278	2.6
156.08093	6.3
158.09644	4.7
159.10034	1.1
163.07516	1.6
164.10718	1.2
166.12311	1.7
167.07236	2.7
168.08156	5.6
169.08597	1.8
170.08253	1.1
170.09657	14.9
171.09184	3.2
174.99248	12.2
180.08064	4.3
181.08713	2.0
182.09665	6.6
183.10095	1.2
184.09819	1.3
184.11224	2.1
193.08876	2.8
194.09656	8.2
195.10110	1.5
196.11177	2.0
197.10776	1.8
204.08049	1.9
205.08826	2.5
206.09583	3.8
207.10448	2.2
208.11240	4.7
211.09425	2.1
217.08882	1.9
218.09546	2.8
219.10376	3.2
220.11310	4.1
221.10814	3.7
222.12860	6.8
223.12296	2.0
230.09695	1.1
231.10408	3.4
232.11234	1.3
233.11909	1.2
234.12871	5.3
235.12730	1.2
236.14334	1.5
245.11990	1.4
246.12746	3.9
246.17815	0.8
247.12460	1.5
248.14284	3.0
249.13885	2.8
251.00153	1.3
251.15454	30.6
255.08116	1.1
260.14569	1.4
261.14029	1.4
263.12741	1.2
265.13800	2.9
266.15482	5.1
277.16998	16.7
278.15414	2.5
283.15237	2.3
291.12106	1.3
295.09891	1.2
295.18063	31.9
306.40131	1.0
309.13098	4.0
309.16116	3.0
309.19571	29.0
327.17172	7.2
327.20642	100.0
328.20801	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	327.2067
Annotation	19-Epiiboxygaine
Peak:m/z	Relative Intensity
51.96325	0.6
53.03947	1.0
53.78216	0.6
56.93279	0.7
62.14656	0.6
64.89900	0.6
68.05038	0.7
68.75330	0.7
70.06599	0.9
71.05006	1.1
71.44235	1.1
79.05489	2.8
81.07044	1.8
82.06605	0.7
91.05485	3.1
93.07059	4.6
93.61955	0.7
94.04148	0.7
95.04968	0.9
98.98470	54.9
103.05482	3.6
105.07033	3.0
106.06555	2.5
107.04951	1.0
107.08569	1.1
108.08121	16.9
109.06536	1.6
110.09679	2.5
115.05463	1.4
116.99487	0.7
117.07013	4.6
118.06516	1.1
119.08492	0.9
120.08121	2.2
121.06490	1.6
122.03671	1.2
122.09673	4.3
123.08059	2.0
125.09625	1.7
128.06238	0.7
129.07018	1.9
130.06534	4.1
131.04962	3.2
132.08095	1.9
133.06482	4.5
134.09648	2.2
135.08028	2.0
137.05986	11.8
138.09160	1.7
143.07310	2.1
143.08461	0.8
144.08090	100.0
145.06508	1.6
145.08438	1.7
146.09671	1.4
148.11241	0.9
151.07549	2.5
152.10716	3.1
155.07285	0.9
156.06932	0.7
156.08040	3.4
158.09657	2.2
163.07542	6.5
166.12271	1.6
167.07269	1.6
168.08084	3.6
170.09671	10.1
171.09152	1.4
172.11298	0.8
174.99229	6.7
180.08112	2.5
181.08896	0.7
182.09671	2.0
183.09100	1.1
184.13354	2.6
193.08913	0.9
194.09674	4.2
196.11423	1.7
196.13304	10.0
204.08015	1.3
205.08844	1.4
206.09697	1.9
207.10480	1.0
208.11308	3.1
217.08966	1.3
218.09599	3.3
219.10413	1.6
220.11205	2.3
221.10756	2.3
222.12779	3.0
223.12244	1.5
231.10419	1.9
232.11154	2.0
233.11992	1.4
234.12891	4.9
235.07465	1.0
235.12387	2.5
236.14392	1.1
245.11990	2.0
246.12805	1.5
248.14317	2.4
249.13873	2.8
251.07013	0.9
251.15446	28.0
252.15939	1.1
260.14386	1.7
266.15408	1.9
267.10165	0.8
277.08807	1.0
277.17014	9.6
278.15442	1.5
280.17044	0.9
292.16974	2.3
295.09531	1.8
295.13071	1.6
295.14713	0.9
295.18085	14.4
309.16339	1.3
309.19598	32.5
327.12781	6.4
327.17136	4.4
327.20663	81.2
328.21109	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2069
Annotation	19-Epiiboxygaine
Peak:m/z	Relative Intensity
57.35544	0.7
68.04997	0.9
70.53231	2.2
79.05484	2.0
81.07066	1.0
91.05489	2.7
93.07060	4.4
94.06588	0.9
95.05003	1.4
95.08617	0.9
98.98472	41.2
103.05507	1.6
106.06526	1.8
107.08585	1.1
108.08125	20.0
109.06541	1.0
110.09692	2.5
115.05495	1.3
117.07039	5.1
120.08122	3.9
122.09660	4.0
123.08018	1.4
129.07013	1.8
130.06532	5.9
131.07326	0.7
132.08084	2.1
134.09663	2.4
138.09145	1.8
143.07295	2.0
143.08455	1.0
144.08095	100.0
145.08444	1.1
146.09610	1.2
152.10709	3.5
154.06544	0.9
155.06078	0.8
155.07275	1.3
156.08116	4.1
157.08844	1.0
158.09654	1.6
164.10727	1.2
166.12329	0.9
167.07368	1.4
168.08051	3.8
169.07597	1.1
169.08888	1.0
170.09647	10.2
171.09177	2.1
174.99255	2.9
177.07381	0.7
180.08093	1.3
182.09630	1.4
183.09180	1.0
193.08875	1.2
194.09715	4.5
196.11269	1.1
196.13351	2.7
197.10806	1.4
204.08096	1.5
205.08888	1.2
206.09637	1.3
207.10449	1.8
208.11221	3.2
217.08809	1.7
218.09654	2.4
219.10422	1.6
220.11221	2.4
221.10765	3.2
222.12762	2.9
223.12325	1.7
230.09650	0.7
231.10417	1.8
232.11223	1.4
233.12000	2.1
234.12810	4.2
235.12317	2.5
236.14580	0.9
245.12088	0.8
246.12790	1.8
247.12204	0.8
248.14317	2.1
249.13913	3.7
249.29147	0.7
251.15463	36.5
260.14398	2.5
264.13962	0.8
266.15472	1.5
268.13367	3.8
277.16989	9.2
278.15363	1.7
283.14560	0.8
295.18060	16.7
309.16089	2.6
309.19589	39.0
310.19754	1.6
327.04977	5.5
327.20679	81.6
328.15643	1.3
328.21060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09653	0.4
55.01873	0.7
55.05498	0.6
65.03935	0.6
67.05500	1.4
69.03439	0.7
71.33190	0.5
71.33516	0.6
79.05505	2.1
81.03426	0.9
81.07071	1.8
89.81104	0.4
90.52576	0.4
91.05483	28.1
93.07043	0.9
94.04186	2.5
95.04974	4.1
95.08600	1.0
97.10215	0.6
98.98471	92.2
103.05486	0.8
105.07034	1.8
107.04974	1.9
107.08595	0.9
109.06511	1.2
115.05474	0.5
116.99508	1.0
119.04947	20.9
121.06464	0.6
121.10165	0.6
122.03653	5.6
123.04436	0.6
123.08098	1.0
128.06238	1.7
129.07042	0.8
131.04961	1.0
133.06506	1.4
136.05212	3.7
137.05984	78.9
138.06293	0.5
140.01225	0.5
143.08560	7.3
144.08087	0.7
145.06499	1.1
145.10095	1.1
151.07549	100.0
152.07843	0.9
157.06468	0.6
160.08783	1.2
161.06001	0.6
163.03906	1.4
163.07497	0.5
164.04250	0.8
165.04465	0.9
165.06995	0.5
165.09129	7.8
171.08076	7.2
172.08778	1.4
173.05980	1.4
174.99232	9.4
175.07593	0.9
175.11317	0.5
177.09106	0.6
188.06744	0.8
188.08336	12.4
189.09015	0.8
203.10678	41.8
204.11035	0.8
210.06564	0.7
211.07491	0.5
224.08174	0.5
234.06622	0.8
235.07462	0.6
241.08542	0.6
249.08813	0.8
251.00056	0.9
253.08572	1.1
265.08676	0.6
265.13461	0.7
267.10104	1.1
269.08069	1.3
270.08636	0.6
271.21579	0.4
277.08496	1.4
283.09482	1.5
284.10278	1.3
285.11127	0.7
291.15759	0.6
291.19333	1.0
295.09650	1.7
295.13052	1.0
298.12027	0.8
299.12662	0.8
309.15695	0.5
327.08481	0.7
327.12079	2.9
327.15845	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03953	0.6
53.27826	0.5
53.73913	0.5
55.01871	0.8
55.05531	0.6
60.59614	0.5
63.64135	0.6
65.03951	1.5
67.05509	1.8
68.25587	0.5
69.03446	0.7
69.07068	0.7
75.53418	0.5
77.83251	0.4
79.05499	1.9
80.31752	0.5
81.07078	1.4
91.05488	24.8
93.07038	1.2
94.04193	2.2
95.04982	4.3
95.08585	0.9
98.98473	86.4
103.05453	0.6
105.07027	2.0
107.04956	1.0
107.08609	0.6
109.06560	1.5
109.10158	0.7
110.74040	0.5
113.06034	0.5
116.62265	0.5
116.99477	1.3
117.03354	0.6
117.07063	0.7
119.04948	21.7
119.05800	1.1
121.06421	0.5
122.03651	5.9
123.08122	0.8
128.06245	2.2
133.06503	0.7
135.04395	0.6
136.05174	1.8
137.05986	76.9
138.06351	1.0
142.07826	0.6
143.04909	0.6
143.08577	7.1
144.08038	0.6
145.06491	0.9
145.10083	0.8
149.09697	0.6
151.07552	100.0
152.07932	0.8
161.05913	0.7
163.03925	1.5
164.04233	0.6
165.09129	7.5
166.30347	0.5
171.08034	6.4
172.08823	1.6
173.05981	1.8
174.99249	9.3
175.07507	1.0
181.06415	0.6
188.08347	13.9
188.10008	0.9
189.08983	1.1
190.09877	0.5
191.10617	0.6
195.08037	0.7
203.10675	39.2
211.07486	0.8
217.06480	0.6
221.05949	0.6
225.09029	0.7
228.65665	0.5
234.06656	0.6
235.07465	0.6
249.09039	1.4
250.99962	1.5
253.08528	0.7
254.46957	0.5
263.10757	0.6
265.13297	0.6
266.08987	0.6
267.09988	0.6
269.07990	1.4
277.08670	2.5
283.09714	1.3
284.10394	1.1
285.10977	0.6
291.15768	0.8
291.19220	0.7
295.09772	0.9
295.13077	1.1
298.11902	0.8
299.12784	0.7
309.11359	0.6
325.05884	0.6
327.08609	0.7
327.12155	4.0
327.15854	18.6
328.16348	0.7
348.41190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.05504	6.6
57.03421	5.7
61.02932	11.8
66.56915	1.7
69.03434	16.8
71.04984	4.0
71.48868	2.0
73.02905	3.9
79.05508	2.1
81.03430	11.4
83.08164	2.2
83.08622	20.7
83.80562	1.6
85.02909	100.0
86.09717	2.1
87.04459	2.8
90.04255	2.3
91.03408	1.4
91.03952	8.3
92.98651	1.5
93.66508	1.7
97.02892	23.2
98.98473	99.4
99.04459	3.9
101.09682	8.8
109.02917	9.1
117.03414	2.9
118.03671	2.4
119.10767	1.6
120.08117	2.9
127.03931	24.8
133.02863	2.3
133.06534	3.3
135.04422	7.2
136.04735	4.9
137.06006	5.9
141.01077	1.8
144.08092	6.0
145.02884	2.4
145.04962	41.5
145.08452	6.8
146.03226	5.0
147.10190	3.1
149.05879	3.0
161.06042	3.4
163.03923	22.4
163.06021	8.8
164.04265	35.4
174.99257	10.8
177.05460	5.7
182.07103	2.0
192.13510	1.6
294.08279	1.9
308.08533	6.2
326.11234	3.2
326.14999	3.8
326.19476	2.5
327.12289	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18536	0.4
61.73833	0.4
65.03927	0.6
67.05500	0.8
70.33743	0.4
71.48879	0.4
75.23647	0.5
79.01836	0.7
79.05511	0.7
83.05000	0.4
85.02898	0.5
91.05489	1.8
91.80704	0.5
93.03426	0.7
95.04977	1.6
97.02890	0.5
98.98469	100.0
103.05468	5.0
105.07063	0.6
107.01377	0.6
107.50105	0.4
109.06501	0.5
115.05455	0.6
116.99492	1.3
119.04946	1.8
120.08110	0.5
121.06506	1.2
122.03653	0.5
125.02372	0.6
127.03905	1.4
129.07028	0.7
130.04166	0.8
131.04918	4.6
132.05655	0.5
133.01939	0.4
133.02879	2.7
133.06462	0.6
135.04459	0.6
137.05968	5.9
139.03905	0.9
141.05515	0.6
143.03445	1.0
145.06450	0.5
146.03601	0.6
147.04422	4.2
148.03946	0.8
149.05986	3.7
150.06769	1.6
151.03951	1.0
151.07678	0.4
152.06143	0.5
152.10837	0.4
153.00578	0.8
153.01836	16.2
153.02901	1.3
161.03471	0.4
161.06003	2.5
162.06839	1.3
163.03934	1.0
165.05521	1.0
166.95433	0.4
171.02942	1.0
173.05948	0.6
174.99228	10.6
175.07494	0.5
177.05470	4.1
177.24181	0.4
178.07790	0.6
179.08647	0.4
185.05995	1.1
197.78996	0.5
202.07809	0.5
207.08220	0.4
231.08020	0.8
234.06804	0.5
235.07544	1.1
237.09004	0.4
249.09081	0.7
251.00056	1.4
251.07002	0.4
259.07220	0.4
265.09265	0.5
267.10287	0.6
277.08649	2.0
279.10165	0.5
295.09738	0.6
295.14432	1.4
297.11252	1.7
302.34552	0.5
309.11237	1.4
327.07068	6.5
327.12302	2.6
327.17001	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	326.1385
Annotation	Clausamine C
Peak:m/z	Relative Intensity
53.03949	0.8
55.01877	1.2
55.05513	1.4
65.03947	0.8
67.05494	2.5
69.03439	1.2
71.05005	0.6
71.49521	0.7
78.13309	0.5
79.05489	4.0
81.03420	1.9
81.07069	2.6
81.62778	0.5
83.01302	0.6
83.04964	1.2
83.08617	0.7
91.05507	3.3
93.07052	2.1
95.04974	5.1
97.06548	1.2
98.98473	19.3
100.11261	2.2
103.05469	3.3
105.04545	0.6
105.07002	2.5
106.06565	0.9
107.04971	1.9
109.02885	1.1
109.06532	1.9
111.04453	0.8
115.05476	1.4
115.09577	0.6
117.03359	0.7
117.05771	2.2
117.07037	3.6
118.03743	0.5
118.06551	1.3
119.08607	1.2
121.06525	2.7
122.03571	0.5
123.04423	2.2
125.05994	1.0
128.06223	1.2
129.07007	4.5
130.06532	31.4
131.04965	1.7
131.07329	4.0
132.08090	4.7
133.06480	1.6
135.04411	1.3
136.04729	0.8
137.05984	2.0
138.06311	1.0
139.03880	1.2
141.07062	0.5
142.06546	0.9
143.07303	16.7
144.08089	100.0
145.06609	0.8
145.08438	10.2
146.06015	1.2
149.05986	2.1
151.03902	4.5
153.05450	1.1
154.06519	2.1
155.06117	0.8
155.07297	4.1
156.06807	0.7
156.08098	13.0
157.08850	4.5
158.06018	1.7
158.09659	12.6
159.04416	1.1
163.03943	2.4
164.04237	3.3
165.06969	1.2
167.07315	12.7
168.08104	24.6
169.08893	5.2
170.05962	1.1
170.09644	4.4
171.10440	0.8
172.07553	1.1
173.08353	0.6
174.99251	2.5
177.05478	2.7
180.06551	1.0
180.08083	11.4
181.08847	3.7
182.09657	17.9
182.15393	2.3
183.06758	0.6
183.10426	0.9
184.07614	3.5
184.11215	2.5
186.09074	0.7
191.07289	1.6
192.08105	4.9
193.08876	3.2
194.09651	11.7
195.10420	1.7
196.07565	2.1
196.11244	1.9
197.08327	1.4
204.08047	4.4
205.08907	5.0
206.09651	4.7
207.10428	1.5
208.07616	2.2
208.11197	4.2
210.07312	0.9
210.09158	11.3
210.12651	1.8
210.14659	1.0
211.09721	0.8
212.07127	1.9
212.10706	10.5
217.08800	1.9
218.09651	5.1
219.10426	4.5
220.07605	2.2
220.11218	7.2
221.08281	0.8
221.11974	1.2
222.09131	1.5
222.12700	2.6
224.07062	2.2
224.14302	1.0
226.08612	1.2
230.09645	1.2
231.10385	1.5
232.11191	1.7
233.08246	0.8
234.09050	1.2
234.12772	6.5
236.07060	0.7
236.10713	2.2
236.14415	3.7
238.08650	10.0
238.12228	2.0
239.09413	1.4
240.10223	4.5
243.10332	1.0
244.11279	3.4
246.09207	1.0
246.12709	1.6
247.09946	2.0
248.10724	0.9
252.13730	1.6
256.09680	0.8
260.10602	1.0
262.12250	9.9
264.13831	16.2
272.10745	1.4
275.09256	0.8
278.11804	0.9
280.10385	1.1
280.13318	11.3
282.14862	10.4
290.11774	11.9
295.17938	0.8
308.12787	27.2
309.21744	0.9
326.13824	28.4
326.19769	1.1
326.27911	0.9
327.17139	0.7
327.20639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98631	2.8
53.03943	6.4
55.01877	15.3
55.05515	44.0
56.96566	3.7
57.03430	11.5
62.21151	2.5
67.05511	49.3
68.99786	2.6
69.03429	14.0
69.07067	29.5
71.00546	5.4
71.04993	19.8
71.85214	2.6
73.06577	2.7
79.05066	5.1
79.05495	56.4
81.03415	10.9
81.07060	62.0
83.04985	15.7
83.08617	23.5
85.02928	2.9
85.06547	5.8
86.09712	6.3
89.03929	8.8
89.42426	2.8
91.05487	41.4
93.07045	42.4
95.04979	46.4
95.08610	33.8
97.02846	2.8
97.06532	25.4
97.10161	22.9
99.04486	2.5
99.08096	3.6
103.05536	2.9
105.07034	32.9
107.04955	18.7
107.08597	27.1
109.02900	3.1
109.06515	27.3
109.10152	23.1
110.45024	2.5
111.04457	5.3
111.08095	5.9
117.03383	9.1
117.07050	10.8
119.08589	34.7
121.06496	13.5
121.10152	14.6
123.04441	6.4
123.08042	15.1
125.06017	5.1
125.09660	18.9
127.03934	4.5
131.08562	16.9
132.10336	2.7
133.06479	2.6
133.10136	21.3
135.04456	18.1
135.08043	15.8
135.11702	8.0
137.09627	60.8
138.10368	8.0
139.07538	6.4
139.11212	4.3
141.06982	3.2
143.08565	5.6
144.07993	2.8
145.02846	12.4
145.10156	9.8
147.08055	6.3
147.11684	12.2
149.09621	9.7
149.13280	4.1
151.11157	5.0
153.09125	3.5
155.08636	4.2
155.10689	5.4
157.10117	7.3
159.08060	24.2
159.11751	7.7
161.09598	5.4
161.13275	6.0
163.03912	100.0
163.11171	4.7
165.09132	4.4
169.10152	5.6
171.10229	2.8
171.11664	6.1
173.13309	4.1
175.11143	6.5
179.08591	2.6
181.10118	3.4
181.12321	4.1
183.11751	3.7
185.13281	3.2
187.14793	5.3
189.11263	10.2
191.10623	2.7
193.12254	5.5
197.13339	3.3
201.12859	3.0
205.15959	2.7
233.13304	3.6
233.15388	6.4
239.12794	6.7
243.17493	3.9
249.18550	3.9
253.15889	5.1
257.19046	3.8
271.16895	8.0
275.20096	30.5
279.21475	3.8
289.17963	27.9
289.20593	3.3
293.21259	4.2
307.19058	19.8
307.22705	15.1
325.14960	4.0
325.21207	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64830	4.9
53.03951	6.4
53.53049	5.5
55.01857	13.9
55.05515	46.9
57.02057	6.4
57.03447	9.2
67.05516	76.1
69.03419	7.6
69.07072	57.1
69.18819	19.4
69.19242	27.6
71.04996	9.4
73.26945	5.7
79.05496	53.4
81.07065	67.8
83.01913	5.0
83.04973	19.5
83.08627	43.7
85.06529	10.7
85.26190	4.7
91.05480	35.9
93.07045	54.8
95.04974	47.6
95.08604	58.5
97.06529	22.2
97.10176	10.7
98.21558	8.3
102.75832	6.4
104.25098	5.3
105.07040	33.5
107.04980	11.6
107.08618	43.2
109.06511	10.3
109.10167	31.5
111.04436	11.0
111.08105	17.4
117.07026	10.8
119.08572	27.9
121.06554	11.2
121.10132	31.9
123.08016	11.6
123.11701	5.7
125.05809	6.6
125.09634	14.6
127.07614	6.5
127.80084	5.5
131.08554	23.3
133.06445	5.0
133.10106	34.7
135.08067	11.6
135.11684	31.9
137.09596	12.6
143.08588	5.2
145.10089	22.2
147.11708	15.8
149.09654	24.6
153.12796	9.9
159.11690	11.2
163.11223	32.6
165.12753	6.9
173.13176	5.7
177.12738	6.4
189.11287	12.0
191.14375	5.9
197.13289	5.9
223.13286	24.3
229.19446	6.9
237.14943	6.7
247.20541	9.0
257.18997	11.2
265.21655	7.4
275.20090	100.0
293.21088	62.1
307.22766	19.1
308.21906	5.5
325.23920	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	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46789	0.9
52.87698	0.7
53.03949	6.3
55.01866	3.5
55.05512	10.2
56.96561	1.1
57.03437	6.9
64.09584	0.7
65.03947	1.6
67.05503	22.3
69.03415	3.6
69.07072	5.6
70.15318	3.0
71.01347	1.8
71.04987	4.7
79.05492	39.9
81.03428	7.8
81.07056	100.0
83.04980	6.5
83.08627	3.7
85.06541	1.8
91.05485	14.1
93.06486	1.7
93.07048	25.7
94.96558	0.8
95.04979	6.8
95.08611	19.6
97.06521	3.7
97.10184	2.4
99.04465	1.1
105.04524	1.8
105.07033	10.5
107.04978	4.2
107.08598	8.7
109.06519	56.9
109.10165	4.5
111.04471	0.8
111.08080	8.1
117.07018	2.7
119.08573	6.4
121.06502	3.1
121.10135	18.5
123.04497	1.0
123.08073	10.8
123.11672	1.1
125.09634	3.7
128.06189	0.9
129.06978	2.3
131.08575	5.3
133.06514	2.3
133.10130	8.2
135.08046	3.6
135.11691	1.3
137.06000	1.1
137.09644	1.8
139.07555	2.9
139.11186	5.0
141.09117	4.2
143.08560	1.9
145.06497	2.0
145.10117	3.5
147.08043	1.9
147.11606	1.3
149.05949	1.4
149.09645	6.4
149.13228	1.0
149.82352	0.9
151.07553	2.7
151.11172	3.2
153.09172	1.4
157.10182	1.4
159.08098	2.2
159.11679	1.8
161.09660	4.0
161.13329	1.6
163.03905	3.1
163.07571	1.8
167.10693	6.7
169.12291	0.9
173.09557	1.1
173.13243	0.9
175.11142	1.2
177.09090	1.5
179.10669	4.1
183.11760	1.4
185.11751	1.1
189.11270	1.3
189.12794	1.0
197.11765	1.3
207.13733	1.6
223.14977	1.0
243.17546	1.4
261.18497	7.4
264.32312	0.8
271.16885	7.5
289.17969	13.7
307.18970	1.8
325.20059	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.26232	1.1
55.01865	7.4
55.05514	14.1
56.96560	11.4
57.03432	3.0
67.05510	9.7
69.03423	1.9
69.07066	7.4
69.51084	3.2
69.51484	5.5
71.04981	2.4
73.92606	1.3
79.05501	5.8
81.03418	2.1
81.07058	10.2
83.04984	4.9
83.08632	9.5
85.02901	2.7
85.06549	1.6
91.05482	5.9
93.07050	8.9
95.04971	3.8
95.08612	4.0
97.02902	4.6
97.06521	6.5
97.10162	9.3
97.99162	1.4
105.07026	4.7
107.04964	1.9
107.08591	9.5
108.80234	1.3
109.06499	1.9
109.10159	3.2
110.03677	2.1
111.04446	2.1
111.08070	3.3
119.08571	4.2
121.06516	4.2
121.10152	3.1
123.08129	2.1
125.09630	11.4
127.07558	8.1
131.08585	1.3
133.10152	2.7
135.08047	2.9
135.11702	3.1
137.09622	3.6
139.07544	100.0
143.10699	1.4
144.08153	1.2
145.10138	4.7
149.09666	1.8
153.09100	2.3
153.12901	1.7
157.10193	2.1
159.11626	1.4
163.03943	4.7
163.07552	1.9
163.11206	2.5
171.10197	2.1
171.11665	2.1
181.08633	1.9
181.12222	1.9
189.11243	18.6
191.10559	2.5
193.12315	6.3
203.60973	1.5
218.60555	1.7
219.13820	3.7
224.14978	2.2
231.14038	1.3
260.53323	1.3
271.17166	2.3
289.17950	13.3
292.66751	2.9
293.16776	1.8
293.67383	1.9
301.67282	4.7
302.17468	2.7
302.67926	4.7
307.18851	16.4
314.18646	1.8
325.14865	2.0
325.21667	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	325.201
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03944	7.7
55.01875	28.6
55.05513	49.1
57.03426	13.6
67.05508	76.7
69.03414	3.8
69.07064	15.8
71.05006	3.1
71.10139	6.8
77.03927	3.1
79.05071	5.1
79.05496	59.1
81.03403	9.1
81.07059	72.6
83.04979	18.7
83.08624	14.9
91.05486	61.7
93.07048	42.2
95.04971	73.0
95.08613	25.1
97.06535	4.6
97.10172	19.1
98.07300	6.4
103.05463	4.6
105.06510	2.9
105.07043	30.8
107.04958	49.4
107.08581	22.9
108.05716	3.9
109.03733	3.1
109.06530	46.5
109.10157	37.7
115.05423	7.4
117.07020	24.0
119.04890	3.3
119.08585	25.0
121.06492	11.7
121.10180	6.8
122.07288	26.4
123.04423	6.9
123.08065	8.8
123.11700	3.7
125.05996	3.1
125.09651	15.5
126.79346	2.9
128.06184	4.9
129.06955	7.1
131.04927	4.2
131.08540	12.3
133.06506	15.7
133.10127	7.0
135.08034	13.3
135.11682	4.0
137.09619	100.0
143.08574	8.7
145.06473	7.1
145.10068	14.5
147.08083	21.9
147.11723	4.3
149.09630	4.2
151.07521	6.8
159.11723	5.6
161.09575	16.1
163.11232	4.8
165.09088	5.9
171.11604	5.5
173.13231	4.0
187.14804	5.4
189.11198	10.2
205.15909	6.4
215.14426	5.3
217.15857	6.5
233.15376	36.0
251.16499	6.3
272.40149	3.2
273.18463	5.4
279.15729	3.5
290.18695	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	325.201
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
53.03949	9.4
53.16321	1.4
55.01879	9.1
55.05503	13.5
57.03430	15.1
65.03946	1.6
67.05506	31.8
69.03432	14.3
69.07072	10.2
71.04994	4.4
78.14221	1.9
79.05499	25.2
80.58217	1.5
81.03429	18.2
81.07059	31.1
83.04971	17.6
83.08612	7.0
85.06525	2.8
87.42171	1.5
89.03911	6.7
91.05482	19.1
93.07042	18.0
95.04958	9.8
95.08602	18.8
97.06533	46.8
97.10161	6.3
98.21551	2.9
105.07030	15.1
107.04942	19.9
107.08609	16.3
109.06495	7.3
109.10160	13.7
111.04459	8.2
111.08084	4.3
113.05968	3.9
117.03368	6.2
117.07003	6.4
119.08595	9.5
121.06526	8.4
121.10144	6.1
123.04419	4.8
123.08073	9.0
123.11662	2.1
125.05963	6.4
125.09604	6.8
127.03915	4.2
128.06253	2.6
129.07014	2.7
131.08553	9.1
133.06467	2.2
133.10138	14.6
135.04428	17.9
135.08043	8.0
135.11685	5.7
137.05963	2.6
137.09616	3.3
139.07512	2.2
141.06996	3.3
143.08574	4.0
144.08044	1.7
145.02869	12.0
145.06491	4.9
145.10095	7.2
145.29918	1.6
147.07950	3.8
147.11691	3.3
149.09618	2.7
151.11183	5.9
155.08583	2.2
157.10126	2.7
159.08038	10.4
159.11716	7.4
161.09628	4.4
163.03908	100.0
163.07501	3.0
163.11232	3.9
165.09097	2.5
169.10144	3.2
171.11655	2.2
173.09616	4.3
173.13263	3.0
177.09175	2.9
177.12714	5.7
181.05014	2.5
183.11664	2.1
185.09651	1.7
187.11174	7.0
189.11324	2.1
195.13841	3.5
205.12225	3.1
205.15913	2.3
215.14461	2.2
223.13309	8.2
233.15364	11.1
241.14310	9.1
243.17424	4.5
247.13144	2.0
251.16380	3.9
253.15878	4.8
261.18497	5.8
271.17029	11.5
289.17987	39.8
307.19055	11.1
325.15433	2.0
325.20255	6.1
326.23761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.87813	1.4
53.03931	4.6
55.01865	6.0
55.05521	9.9
56.00703	1.3
57.03442	9.6
59.99667	1.3
62.16079	1.5
64.74165	1.3
67.05189	1.9
67.05516	27.4
69.03443	12.8
69.07077	10.3
69.67892	5.8
69.68304	3.3
71.01349	2.1
71.04990	3.7
79.05499	45.4
79.60334	1.3
81.03407	4.6
81.07069	100.0
83.04974	5.5
83.08619	3.7
85.06542	2.9
89.03909	5.9
91.05496	18.3
93.07052	28.9
95.04982	7.2
95.08621	15.4
97.02898	2.2
97.06542	37.2
97.10157	3.0
99.04417	1.7
105.07051	15.8
107.04974	6.8
107.08604	10.3
109.02859	2.3
109.06532	61.5
109.10152	12.8
111.04493	2.0
111.08096	13.5
113.06002	4.0
117.03419	8.9
117.07024	3.9
117.76455	1.4
119.08562	5.7
121.06519	5.1
121.10172	16.9
123.08079	8.4
123.11737	3.1
125.09607	2.8
127.03927	4.2
127.07542	1.7
131.08574	5.7
133.06482	1.7
133.10159	15.9
135.04427	13.8
135.08069	4.3
137.05965	3.2
137.09625	3.3
139.07567	3.1
139.11182	3.4
141.09129	3.5
143.08528	1.9
145.02864	11.4
145.06482	2.3
145.10158	3.0
147.07956	1.4
147.11742	2.1
149.09648	8.3
151.07516	2.0
151.11191	5.6
153.09146	1.3
159.08070	1.9
161.09621	4.6
163.03929	99.0
163.11192	1.5
167.10692	5.6
179.10686	2.2
183.10228	1.5
184.43494	1.4
191.43149	1.5
200.82159	1.2
221.11722	3.3
243.17386	1.8
261.18552	7.3
264.53531	1.4
271.16919	4.8
289.17999	16.3
302.50964	1.6
307.19107	6.4
325.20163	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	325.201
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03938	5.5
53.79444	2.2
55.01876	16.8
55.05509	54.7
57.03208	2.9
57.03440	36.6
59.04974	3.3
67.05506	58.7
69.03429	14.9
69.07069	19.9
69.59540	2.5
70.61718	4.7
71.04969	4.9
71.76398	2.4
76.97300	2.4
79.05074	4.0
79.05494	52.3
81.03425	13.7
81.07052	40.2
83.04969	9.8
83.08614	22.6
85.06552	5.1
86.09689	3.0
88.83836	2.3
91.05484	32.7
93.07040	32.8
95.01322	9.4
95.04971	28.0
95.08638	12.6
97.02908	2.6
97.06531	29.7
97.10168	41.9
105.07044	21.3
107.04959	26.3
107.08595	37.8
108.14232	2.4
109.06516	17.6
109.10154	19.6
111.04433	6.5
111.08042	5.3
117.03343	3.0
117.07058	13.2
119.08588	22.2
121.06511	20.6
121.10138	7.8
123.04424	6.1
123.08057	11.2
125.05966	10.3
125.09637	28.8
127.03953	3.0
129.07016	7.4
131.08568	10.4
133.06491	3.9
133.10106	8.8
135.04395	7.2
135.08052	35.5
137.09616	14.9
143.08600	6.1
145.02817	4.3
145.06465	4.4
145.10129	9.0
147.08044	13.2
147.11688	10.9
148.62708	2.5
149.09624	4.1
151.07556	4.9
153.09061	4.6
155.08554	3.3
157.10100	3.5
159.08057	97.4
161.09595	8.7
163.03902	35.3
163.07561	6.9
163.11220	2.6
171.10190	5.8
171.11647	3.3
173.09608	6.2
173.13255	3.1
177.09125	4.8
185.09579	7.7
187.14769	4.6
189.11240	12.8
193.12297	3.9
197.09576	4.6
197.13480	3.1
199.11179	3.1
211.11177	4.7
215.14377	6.4
225.12892	2.9
225.16367	3.3
233.15311	25.4
237.14908	7.9
243.17432	10.1
251.16434	8.8
253.15837	23.0
261.18436	7.9
271.16928	42.7
275.20154	7.0
289.17969	100.0
307.19098	59.7
307.22507	4.0
325.19998	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1911
Annotation	Tubotaiwine
Peak:m/z	Relative Intensity
61.36967	0.6
65.78994	0.6
69.03414	1.7
70.94186	1.2
78.39637	0.6
79.05503	4.4
81.03414	2.8
81.07059	4.2
82.06573	2.2
85.02920	0.8
89.03911	1.9
91.05486	0.9
105.07047	1.2
106.06576	1.9
107.04941	1.4
108.08115	2.6
109.02907	1.1
109.06521	18.6
109.07272	0.9
110.06085	0.7
115.05439	0.9
117.02631	0.5
117.03387	3.7
117.07069	1.0
121.05164	0.6
127.03886	1.4
128.06229	1.0
129.06978	1.4
130.06532	3.2
131.07249	0.8
135.04396	5.1
137.05963	2.5
143.07358	1.0
143.08583	2.4
144.08090	18.8
144.09012	0.7
145.02879	4.5
151.07550	0.8
154.06485	2.2
155.07286	3.7
156.08040	1.4
158.09691	2.6
163.03918	27.8
167.07314	0.9
168.08118	3.6
168.10217	1.2
169.08951	0.8
170.09662	26.3
171.09148	1.4
180.08072	0.9
181.05023	0.6
184.10040	0.8
185.10736	1.3
190.07831	0.6
194.09729	1.5
201.09169	2.4
205.08864	1.0
206.09853	1.1
207.09171	1.6
208.09966	2.2
209.10811	0.9
214.67941	0.6
220.11293	1.2
221.10727	16.0
222.11122	1.0
222.12875	1.7
223.12300	17.6
225.13869	7.0
234.11452	1.4
235.12390	1.1
236.13072	2.2
247.12300	3.3
249.13893	31.5
251.15445	33.7
252.15704	0.8
265.08844	0.8
265.13269	1.2
267.14920	18.3
275.15442	2.8
281.16583	0.8
293.16492	28.9
297.11319	1.0
307.08313	1.4
307.18018	2.6
325.10764	2.3
325.15631	3.4
325.19113	100.0
326.19327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03937	0.9
55.01846	0.3
57.03440	0.4
69.03435	7.5
69.60890	0.7
69.61301	1.0
79.05499	1.2
81.03423	4.3
85.02899	1.6
89.03924	6.1
91.05489	0.6
95.04984	0.4
97.02885	1.0
98.20731	0.3
99.04456	0.7
107.04974	2.1
108.08101	0.9
109.02896	2.0
115.05456	0.3
117.03388	9.4
117.06992	0.6
118.06551	2.9
118.99804	0.3
120.07977	0.3
122.06056	0.3
127.03921	3.1
129.07018	0.3
131.04942	0.5
135.04422	17.5
137.02322	1.3
137.06003	2.4
138.09146	5.4
144.08089	8.7
145.02853	13.4
145.03992	0.7
146.06018	5.9
156.08101	0.5
163.03911	100.0
164.04237	1.3
170.05951	0.4
170.09729	0.6
181.04939	1.3
188.07086	4.3
191.08203	1.1
237.05508	0.4
265.05014	0.6
265.12271	0.3
279.14816	0.5
283.05994	1.2
283.09293	0.5
293.08038	0.4
307.08151	4.3
307.13971	0.4
325.09152	1.2
325.15479	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	325.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
61.16039	0.2
67.05495	0.3
69.03425	0.7
70.61519	0.2
70.98190	0.2
79.05495	0.8
80.25764	0.3
81.03423	1.7
82.66747	0.2
83.77534	0.2
85.02908	0.7
89.03917	0.9
91.05478	0.9
93.07021	0.3
95.04961	0.5
97.02912	0.4
98.21540	0.5
103.05463	0.9
105.07030	0.4
107.04964	0.6
109.02869	0.8
109.06490	0.4
115.05439	1.0
117.03361	1.3
117.05750	0.4
117.07026	4.4
118.06554	0.4
119.04948	0.2
122.03653	0.4
123.04414	1.2
127.03952	0.3
128.05023	0.3
128.06213	0.3
129.06973	0.3
130.06531	1.1
131.04922	0.5
131.07333	0.2
132.08044	0.3
133.06487	0.3
135.04407	2.6
137.05975	4.4
143.07317	3.6
144.08087	100.0
145.02861	1.9
145.06483	0.7
145.08412	1.0
146.05997	0.4
151.03908	0.3
151.07579	0.7
152.07065	0.2
155.06027	0.9
155.07191	0.3
156.08072	0.6
158.07292	0.4
158.09641	0.4
158.95776	0.2
163.03909	13.9
164.04335	0.3
167.07323	0.6
168.08105	0.6
170.09576	0.5
180.08122	0.6
182.08160	0.9
182.09705	0.5
194.09602	0.3
201.09099	1.5
203.03392	0.5
208.11081	0.2
218.09773	0.2
219.08145	0.3
220.11191	0.3
223.12463	0.3
226.06262	0.3
233.09676	0.5
234.12749	0.3
238.08693	0.4
240.07944	0.3
249.13908	0.2
254.05840	0.3
261.09146	0.5
262.12564	0.2
264.13922	0.4
265.09128	0.3
267.10196	0.3
269.08011	1.0
279.10083	0.3
280.13287	0.3
281.08060	0.3
282.14996	0.3
283.09750	0.6
293.11557	0.6
297.11377	0.4
307.08252	1.2
307.14429	0.6
308.12744	0.7
312.84558	0.2
325.07269	0.5
325.10803	0.9
325.15363	6.9
325.19189	1.0
326.13892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
69.03435	10.6
71.23405	0.8
79.05500	1.7
81.03423	0.6
85.02898	0.5
85.38152	0.4
89.03928	5.8
91.05468	0.4
93.95448	0.4
97.02887	1.4
99.04430	0.4
107.04973	2.6
109.02862	0.7
117.02530	0.5
117.03383	9.0
127.03912	4.1
135.04427	16.4
137.05940	0.4
145.02861	12.3
145.04010	0.7
161.05984	0.4
163.03918	100.0
164.04277	0.9
181.04906	0.8
252.73836	0.4
307.08160	1.2
325.09314	0.9
325.15417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
55.01868	0.4
55.05512	0.5
57.03434	0.2
60.04603	0.2
61.02924	0.6
63.02355	0.3
67.05502	0.5
69.03434	9.9
70.87274	0.5
76.70110	0.2
77.03918	0.2
79.05505	1.2
81.03420	0.4
81.07044	0.2
83.08629	0.2
85.02902	0.6
89.03918	6.2
91.05461	0.2
95.04974	0.5
97.02891	0.8
97.10162	0.5
99.04466	0.2
107.04964	2.0
109.02876	0.7
109.06553	0.2
109.10143	0.3
117.03387	9.4
121.06458	0.2
123.04450	0.2
125.09630	0.3
127.03915	4.4
135.04420	17.0
136.04710	0.2
137.09587	0.4
139.07484	0.2
145.02850	13.6
159.07991	0.2
162.31488	0.2
163.03906	100.0
164.04208	1.1
181.04968	0.8
201.05452	0.4
219.06551	0.3
223.76038	0.2
224.42967	0.2
243.24876	0.2
277.27557	0.2
289.18109	0.2
307.08121	1.2
307.14459	0.4
325.09055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60817	0.3
51.96817	0.4
55.01873	0.8
55.05507	0.7
56.30425	0.3
61.02914	0.3
63.02388	0.3
67.05485	1.3
69.03430	10.3
69.07056	1.0
79.05482	1.6
81.03413	0.9
81.07053	1.6
83.04981	0.4
83.08609	0.5
83.32995	0.3
84.49951	0.3
85.02892	0.3
89.03915	6.3
91.05476	1.2
93.07040	0.7
95.04951	0.7
95.08575	0.8
97.02900	1.0
97.06529	0.9
98.21568	0.5
99.04433	0.4
101.11445	0.4
105.07008	0.6
107.04942	2.2
107.08637	0.5
109.02856	0.4
109.06520	0.6
109.10148	0.9
117.03387	9.7
117.07029	0.3
119.08573	0.3
121.10143	0.4
123.04383	0.4
123.08045	0.5
127.03909	4.1
133.10147	0.7
135.04416	17.3
137.06006	0.5
143.08444	0.3
144.08031	0.6
145.02846	14.1
163.03902	100.0
164.04237	1.0
165.01085	0.3
181.04887	0.6
193.12300	1.9
227.84406	0.3
263.11679	0.5
289.17993	0.9
307.08310	0.8
307.19150	0.7
325.09360	0.5
325.14938	1.1
325.19717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
69.03435	9.2
73.21069	0.4
79.05491	0.8
89.03918	5.2
97.02904	0.8
107.04951	1.6
109.02856	0.6
117.03391	10.0
127.03932	4.8
135.04427	16.3
145.02861	12.7
145.04012	0.9
163.03920	100.0
164.04276	1.2
172.73341	0.4
181.05025	0.7
214.08046	0.6
307.08215	1.6
325.09204	1.0
326.28271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.69119	0.4
52.78047	0.4
55.01867	0.7
55.05505	2.0
56.05022	0.4
57.07085	0.7
67.05502	3.8
69.03436	0.9
69.07068	9.9
69.33078	1.9
69.33495	2.0
79.05491	3.4
81.07059	8.0
83.04987	2.7
83.05402	0.5
86.09706	100.0
91.05481	8.1
93.07043	11.7
95.04977	3.1
95.08585	2.3
101.01183	0.5
103.05473	0.5
105.07032	13.5
107.04901	0.6
107.08570	3.3
109.06520	11.1
109.10143	1.4
111.08067	2.3
111.96132	0.4
115.05518	0.5
117.07037	0.8
119.08577	4.3
119.26083	0.4
121.06533	0.5
121.10188	1.1
123.08093	1.2
123.11749	0.4
128.10715	4.8
129.06989	1.0
131.08578	3.6
132.10205	29.8
133.06506	0.8
133.10130	16.7
133.11107	0.9
135.04393	0.7
135.08092	0.7
137.06020	0.6
145.10133	0.7
147.08084	0.5
147.11691	12.6
149.09613	1.5
149.13261	0.9
151.07552	2.8
151.11182	41.5
151.77441	0.4
156.10207	1.0
157.10158	1.0
163.03893	4.2
165.12762	1.8
174.11293	0.5
175.11182	3.1
183.79572	0.5
192.13811	0.5
193.12260	4.1
203.15173	0.5
210.14868	0.6
222.14926	0.9
260.20093	6.8
278.21152	25.4
306.20685	5.4
324.21695	13.4
324.25504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03937	0.4
55.01862	0.6
57.03419	0.5
57.57894	0.2
58.46975	0.3
63.02367	0.3
70.77113	0.4
71.04975	0.7
71.64946	0.2
73.02898	0.5
79.05477	0.8
81.03396	0.6
82.33761	0.2
89.03915	5.9
89.17268	0.3
91.05464	0.3
97.02887	1.2
98.20894	0.3
99.04456	3.9
107.04949	2.2
109.02910	0.4
117.03382	10.0
117.43431	0.3
119.04941	0.6
123.04401	0.4
127.03912	1.4
135.04420	15.1
145.02850	13.1
145.03995	0.6
147.04465	1.4
163.03902	100.0
164.04218	0.9
181.04968	7.3
205.06583	0.4
233.06056	0.4
279.06445	0.7
307.06030	0.6
325.09610	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	324.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	9.7
56.96557	22.5
57.03418	10.4
58.06604	13.3
61.02922	66.3
69.03417	25.9
70.59610	6.5
71.62059	6.5
71.95631	6.8
72.08138	7.6
73.02931	10.0
77.00912	8.9
79.05491	8.5
81.03387	12.7
84.08124	11.3
85.02906	62.4
86.99297	10.0
89.03895	22.5
91.05463	6.5
93.72045	6.9
95.04984	8.5
97.02878	20.4
101.00875	19.1
102.09158	16.5
105.00370	7.8
106.06586	9.8
107.04961	63.6
108.05302	10.2
110.97573	9.2
111.02913	12.7
112.05169	8.3
115.02392	11.2
117.03349	22.2
119.01942	36.8
120.01952	8.9
121.06545	10.0
127.03919	18.3
128.98624	7.2
129.03967	53.3
131.01865	24.7
135.04410	28.1
144.99835	10.9
145.04950	8.5
147.05009	28.3
150.01727	9.0
152.05540	27.7
153.03934	9.3
155.01898	9.5
155.05475	33.5
161.02963	10.4
162.03052	12.0
162.11247	77.8
163.03908	100.0
164.04239	14.3
165.03987	15.9
169.03525	7.2
170.06656	19.3
171.05121	8.3
173.06633	18.3
181.07085	54.7
182.04178	8.2
183.05116	19.2
185.02869	10.6
191.01912	9.8
196.04344	10.2
199.08150	29.0
203.04013	9.9
204.04289	8.4
207.05029	13.2
212.05397	11.6
213.09698	9.3
213.16055	6.5
219.01523	11.3
219.03520	8.7
222.03384	8.2
225.06088	29.9
228.01895	7.5
228.05891	8.1
243.07108	22.2
248.07631	25.0
257.08661	12.4
266.08755	14.9
283.06949	7.5
324.10458	34.1
324.16553	19.9
325.07675	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	324.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02989	2.8
56.96567	37.4
57.03419	4.3
58.06588	3.7
58.99862	6.1
68.98273	4.9
69.03416	11.4
70.06604	4.6
71.48533	3.8
72.08140	11.5
77.00903	6.0
79.05487	6.6
81.03404	12.9
84.08138	8.5
85.01411	4.5
85.02889	22.4
86.99327	8.8
89.03915	11.7
95.01894	3.6
95.04960	10.6
97.02863	11.1
98.97591	16.7
100.99110	3.7
101.00896	8.0
103.02425	12.2
105.00345	5.5
106.06529	7.8
107.04958	56.4
110.97570	9.1
111.02954	15.9
113.00862	6.2
115.02405	4.8
117.03372	10.3
119.01913	13.9
120.02024	4.7
121.01614	5.0
121.06530	8.6
126.96982	3.2
127.00718	5.3
127.03917	6.4
128.98598	8.2
129.03986	61.4
131.00209	3.5
131.01912	13.6
133.03441	3.9
135.04424	23.5
136.04733	4.4
136.99110	4.4
137.04497	10.8
141.03992	5.0
143.01903	5.9
144.98146	4.4
145.02827	12.2
145.07631	36.8
146.03229	4.9
147.05045	29.8
152.05589	34.2
153.03983	8.2
153.05774	4.1
155.00150	22.7
155.01968	4.2
155.05534	66.3
157.03505	7.0
158.99680	3.9
159.05042	4.9
161.03027	4.1
162.05478	6.6
162.11264	20.0
163.02585	6.3
163.03908	100.0
163.08655	22.7
164.04256	17.8
165.03938	9.9
169.03491	6.5
170.06621	24.5
171.05034	6.3
173.01205	17.1
173.02795	5.3
173.06598	23.0
174.03195	3.5
177.00867	11.2
178.03445	7.1
178.07150	5.3
178.08623	5.5
179.05505	3.6
181.07103	85.5
183.05035	21.7
185.03024	4.7
187.04556	4.7
196.04341	7.1
197.06615	5.5
199.08157	53.3
207.01544	4.1
207.03287	10.1
207.05048	12.3
216.96373	4.4
219.01970	18.7
220.02216	3.5
221.03212	5.7
222.03218	8.1
225.04306	4.1
225.06131	35.0
231.01762	4.9
233.03354	14.2
234.05467	4.3
239.07565	4.6
243.07167	25.8
248.07693	34.8
257.97617	3.8
258.97397	24.1
259.01578	7.9
265.05435	4.1
266.08746	17.2
269.05054	4.6
273.03137	5.9
277.02499	9.6
281.08771	4.6
283.00250	3.7
300.98386	29.9
301.02338	14.9
307.06671	7.0
309.08624	4.9
319.03506	6.9
319.07141	10.4
324.03751	4.8
324.07022	6.5
324.10654	25.8
325.07846	7.9
325.13983	24.2
342.15961	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41316	1.2
53.03939	2.0
53.18024	1.4
55.01863	5.3
55.05513	28.8
57.03430	2.5
57.07077	1.8
58.61758	1.4
60.52702	1.4
62.06091	52.9
63.06422	4.2
65.03924	1.8
67.05508	22.5
68.05818	2.3
68.86402	1.3
69.03416	4.1
69.07071	19.1
71.04984	1.5
77.74182	1.3
79.05498	25.5
80.05827	2.1
81.03422	3.2
81.07060	27.0
82.07381	3.3
83.04961	2.5
83.08614	16.4
84.08965	1.4
91.05476	12.5
92.05825	1.8
93.07047	18.8
94.07390	2.5
95.04974	6.6
95.08622	15.3
96.08926	2.2
97.02887	2.0
97.06516	2.5
97.10175	23.0
105.07030	10.7
107.04943	6.6
107.08597	18.8
109.06503	3.1
109.10150	6.9
111.04372	1.6
111.08060	1.8
117.07022	4.3
119.08579	10.1
121.06493	4.1
121.10149	7.3
122.10505	2.2
122.47214	1.3
123.08058	6.3
123.11691	2.2
125.09640	21.2
129.07040	3.0
131.08583	6.3
133.06477	2.6
133.10152	4.7
135.08043	5.8
135.11717	2.9
137.09604	2.6
139.11194	1.7
141.76425	1.3
143.08566	4.6
145.10150	7.3
147.08093	4.4
147.11697	3.2
149.09555	2.3
153.09145	3.8
157.10127	2.6
157.12238	1.5
159.11681	2.9
160.12129	1.6
161.09589	2.6
162.10313	1.3
163.11212	2.0
165.09132	2.1
175.11212	2.4
189.12743	2.0
203.12779	7.6
205.77696	1.6
223.13254	12.3
237.14781	2.1
243.21155	1.6
244.21300	2.0
255.17374	1.9
262.22375	2.2
273.18475	10.4
277.13345	1.6
291.19547	100.0
292.19876	1.8
305.21127	25.9
305.26666	2.3
323.13751	2.1
323.22226	6.0
323.27713	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
54.43275	3.2
55.01873	24.6
55.05512	51.9
57.03427	12.5
57.07083	5.3
57.40535	2.6
63.06899	2.6
65.03935	5.1
66.01163	2.5
67.05511	65.3
69.03429	8.9
69.07071	25.5
71.04989	9.3
71.49319	3.6
71.49677	2.8
73.45650	2.9
79.05499	55.9
81.03435	23.2
81.07057	100.0
83.04983	19.2
83.08625	26.2
91.05488	30.8
93.07047	37.1
95.04974	21.5
95.08608	37.3
97.06557	18.3
97.10181	42.5
99.08094	8.3
105.07041	28.5
107.04963	12.3
107.08595	37.0
109.06506	13.3
109.10182	15.6
111.04440	16.1
111.08087	14.9
117.07028	13.4
119.04993	3.5
119.08591	28.4
120.34348	2.7
121.06516	9.4
121.10167	12.2
123.04396	3.5
123.08066	41.3
125.09643	35.9
125.41743	2.9
129.07027	9.0
131.08589	16.6
133.06474	6.3
133.10120	16.1
135.08061	17.3
135.11714	17.1
137.05995	3.8
137.09642	15.8
143.08601	6.5
145.10117	16.8
147.08023	18.4
147.11690	9.7
149.09642	9.6
149.13274	7.3
151.07593	3.5
153.09109	6.5
153.12743	6.8
157.10132	11.1
159.11719	10.4
161.09604	6.4
163.11188	61.5
165.09148	13.6
171.11713	4.5
173.13274	4.0
175.11194	10.7
177.12810	4.7
181.12260	9.4
181.13760	2.5
185.13368	3.4
189.11238	6.9
191.10614	4.8
193.12253	20.5
203.12767	10.9
205.12254	3.8
223.13356	5.1
227.12822	6.8
227.18027	4.4
245.18938	6.0
249.14981	3.2
255.17404	6.0
260.84909	2.7
273.18469	27.7
287.16495	3.5
291.19537	75.0
305.17743	4.3
305.21066	12.6
323.14581	16.0
323.18536	20.5
323.22272	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.8
55.05514	13.5
57.03442	29.2
65.03942	4.1
67.05505	34.3
69.03420	3.3
69.07060	8.6
71.04989	5.3
75.96669	2.2
79.05499	19.7
81.03405	4.3
81.07050	30.8
83.04987	9.9
83.08623	7.3
85.06544	30.5
86.57602	2.0
91.05471	18.5
93.07058	18.4
95.04971	35.7
95.08597	9.0
97.10147	3.0
98.20750	6.2
105.07047	12.6
106.72031	2.1
107.04997	4.4
107.08596	14.5
109.06519	31.2
109.10158	6.2
111.04453	16.4
111.08070	4.0
113.06007	100.0
113.06804	4.8
116.04218	2.1
117.07021	9.3
119.08549	11.6
121.06493	5.1
121.10152	5.8
123.08053	3.7
129.06996	6.0
131.08572	10.8
133.10112	5.8
135.08054	28.9
135.11714	7.1
139.10066	2.1
143.08569	4.8
145.10143	11.5
147.08038	7.7
149.09601	6.2
153.12753	5.6
157.10138	3.7
159.11693	3.2
161.09621	2.2
163.11188	9.4
171.11697	3.8
175.11221	3.5
181.12230	9.5
191.10617	5.6
194.72484	2.5
217.15871	7.4
227.12779	9.0
227.17906	2.9
229.12325	3.1
229.14336	2.5
273.18518	23.1
291.19543	67.8
305.20880	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1855
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03948	4.5
54.74431	0.8
55.01880	4.4
55.05514	16.4
57.02221	0.8
57.03437	1.7
65.03941	1.7
67.05508	24.0
69.03433	100.0
69.07079	7.7
71.01354	1.9
71.04992	5.7
71.50254	1.1
74.74775	0.8
79.05500	23.3
81.03421	42.0
81.07061	35.6
83.04980	20.5
83.08624	6.5
85.02895	4.3
85.06538	3.5
85.97652	0.7
87.04467	1.2
91.05484	20.4
93.06488	1.8
93.07050	25.3
95.01358	1.6
95.04970	12.3
95.08614	23.9
97.02903	7.4
97.06543	12.9
97.10156	4.1
99.04454	3.4
99.08098	2.9
104.23345	0.7
105.07034	17.6
107.04944	6.1
107.08605	11.5
109.02903	10.9
109.06530	13.3
109.10159	11.5
110.03648	1.5
111.04457	6.5
111.08086	3.2
113.05996	1.9
115.05457	2.3
117.07021	9.9
119.04958	2.0
119.08584	12.7
121.02869	0.9
121.06519	10.2
121.10155	6.5
123.04444	4.1
123.08086	5.2
123.11668	1.2
125.02347	1.9
125.06021	2.0
125.09633	3.7
127.03925	10.1
128.06233	1.6
129.07031	4.3
131.04861	1.2
131.08572	9.4
133.06505	6.4
133.10143	9.4
135.04448	1.4
135.08076	10.1
135.11627	3.9
137.05994	4.4
137.09613	2.6
137.13316	0.9
141.07019	2.0
141.20447	0.9
143.08624	3.8
144.08090	1.8
145.06456	2.0
145.10126	5.4
147.08061	3.6
147.11684	3.7
149.05978	2.8
149.09645	4.5
149.13237	2.5
151.07541	18.9
153.09175	1.1
155.08585	2.4
155.10699	1.1
157.10159	3.0
159.08029	3.4
159.11667	4.4
161.05995	1.8
161.09622	2.5
161.13263	4.9
163.07579	2.2
163.11165	1.3
163.14822	1.4
167.07196	1.0
169.10086	1.1
171.07977	1.2
171.11670	1.9
173.09639	2.4
173.11745	4.7
173.13293	4.7
175.07631	1.6
175.11183	2.3
175.14868	1.6
176.29266	0.8
177.09068	1.2
177.12781	1.9
179.14362	0.9
183.11740	1.2
185.09480	0.8
185.13235	2.3
187.11244	1.4
189.09285	0.8
189.12773	2.2
191.14339	3.0
193.12311	1.0
195.13895	1.8
199.07559	0.8
199.14809	0.9
201.12688	1.7
201.16295	1.2
202.07655	1.1
203.08601	1.1
203.11038	0.7
207.13875	2.0
209.15355	7.3
211.14832	1.0
213.12857	1.3
213.14767	1.6
213.16594	1.1
218.29834	0.8
219.13902	5.7
221.15350	0.9
225.14925	2.3
227.16425	1.1
231.08098	1.1
233.15285	1.5
235.16879	1.2
237.14859	20.5
241.15849	0.9
245.15430	2.4
255.15918	1.2
259.16959	2.9
263.10675	1.3
263.16434	4.4
269.15439	1.5
275.16504	1.7
277.13388	1.6
277.17908	4.1
287.16394	7.4
291.10242	2.7
291.19485	1.1
301.34396	0.9
305.17493	17.1
323.09323	1.8
323.13260	6.0
323.18527	86.8
323.21848	3.0
324.18979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1856
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03942	5.1
55.01864	4.4
55.05517	11.3
57.03440	1.3
63.43386	1.1
65.03944	1.7
66.56343	0.9
67.05508	18.3
69.03437	100.0
69.07074	6.2
71.04400	2.4
71.05004	5.7
77.11244	1.3
79.05501	19.5
81.03423	41.6
81.07063	26.0
83.04989	16.9
83.08622	4.1
85.02927	2.9
85.06548	1.6
87.44960	0.9
91.05487	15.7
93.07053	18.5
95.01346	2.3
95.04989	10.1
95.08617	19.9
97.02898	5.2
97.06522	7.1
97.10181	2.8
99.04460	3.1
103.05494	1.8
105.07040	17.2
107.04957	4.9
107.08597	10.6
109.02898	10.1
109.06528	12.5
109.10190	6.8
111.04459	5.4
111.08084	2.6
115.05470	1.9
115.34090	1.2
115.34927	1.0
117.07024	6.7
119.08601	12.1
120.08141	1.8
121.06525	8.0
121.10166	3.9
123.04441	2.5
123.08082	3.7
125.02338	1.3
125.06000	1.4
125.09695	1.6
127.03923	8.9
128.06194	1.3
129.07022	3.4
131.05034	1.2
131.08601	9.0
133.06491	5.2
133.10136	6.1
135.08067	7.4
135.11696	3.8
137.06006	4.4
137.09694	2.5
139.07515	1.3
143.08574	3.1
144.08104	12.8
145.06517	1.2
145.10144	5.2
147.08066	3.1
147.11697	5.2
149.06009	3.6
149.09607	1.4
151.07561	24.6
155.08582	1.6
157.10236	1.8
159.08075	2.1
159.11745	2.2
161.06035	1.9
161.09616	1.9
161.13254	5.3
163.07590	1.7
163.11264	1.5
167.07060	1.8
171.10210	1.2
171.11708	2.2
173.09718	1.2
173.11765	4.8
173.13303	4.6
175.11249	2.3
175.14859	1.7
177.12766	3.9
179.14325	1.7
179.56682	1.1
181.10164	1.7
183.11743	2.2
185.09605	1.3
191.14363	3.6
195.13779	1.9
201.12794	2.8
207.13800	2.9
209.15369	6.8
219.13817	6.4
225.14946	4.0
231.07948	1.4
237.14874	20.8
248.08479	2.0
259.07690	1.2
259.17026	2.3
263.16501	3.2
269.15442	1.3
275.16452	1.2
277.13406	1.3
277.18054	4.9
279.11575	1.4
287.16562	6.1
291.10242	2.6
305.17465	14.1
323.13815	2.6
323.18549	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57250	7.0
54.42509	6.5
69.48943	49.4
87.58955	7.7
93.66351	6.6
101.00867	10.4
113.74626	6.7
119.88218	7.4
143.01895	67.4
155.01910	33.5
161.02992	41.1
162.91324	6.4
173.02956	35.1
185.03059	10.1
198.21043	8.3
203.04042	32.4
233.05127	13.7
263.06091	21.4
323.07437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16463	0.6
77.20426	0.3
79.05518	0.6
81.07083	0.3
91.05491	1.0
95.04991	0.3
96.36109	0.2
99.48530	0.3
103.05474	0.9
105.07050	1.4
107.05042	0.3
115.05441	0.8
117.05734	0.3
117.07029	4.2
120.08115	16.1
127.05569	0.3
128.06255	0.4
131.04927	0.5
133.06441	0.5
133.10085	0.3
137.05989	4.2
143.07330	3.3
144.08095	100.0
145.06490	0.6
145.08435	1.8
146.03641	0.6
147.04401	0.6
148.07561	0.4
149.05978	0.3
155.06152	1.2
155.07230	0.3
161.04668	0.4
161.05998	5.6
162.06761	0.9
170.09634	0.5
180.10220	10.5
191.08563	0.4
199.07565	1.5
202.07727	1.4
203.08598	2.7
205.06592	0.5
218.07196	0.3
219.08107	0.8
220.08876	1.0
230.07332	0.3
231.08066	4.1
232.08763	0.4
235.11163	0.4
247.07607	0.6
248.08398	2.4
249.10307	0.5
250.11012	0.3
251.11583	0.3
252.08902	0.8
258.06815	0.4
259.07568	2.4
260.08368	1.9
263.10699	2.1
263.15372	3.2
265.08707	0.3
273.09335	0.3
275.06976	0.3
276.07840	1.3
277.08597	0.7
277.13525	0.9
279.06595	0.3
279.11353	1.7
279.13968	0.3
291.10172	6.5
292.10971	0.7
293.08255	0.6
295.13150	0.4
308.10431	0.7
323.13135	9.1
323.17581	21.0
324.18057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1287
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
52.31639	0.5
53.03941	1.2
55.01869	0.8
56.34986	0.4
56.96565	0.5
57.03434	2.0
60.77058	0.5
61.02934	3.5
69.03435	9.4
70.06582	0.8
71.04994	0.7
71.48277	0.6
73.02914	4.2
81.03430	2.7
85.02920	14.0
87.04478	3.2
91.03949	0.9
97.02895	4.5
98.97569	0.5
99.04457	1.4
101.02364	0.7
109.02894	1.6
115.05453	4.3
117.05740	0.8
118.06560	1.0
127.03901	2.5
130.06540	5.4
132.08107	8.0
135.04416	0.6
142.06537	30.0
143.07330	8.2
144.08101	15.2
145.05002	0.6
147.04420	0.9
148.04787	0.8
149.91948	0.5
155.06065	1.0
158.06036	4.9
159.06847	1.6
160.07597	92.0
161.07954	0.9
163.03934	2.1
165.07010	1.1
172.07599	0.6
184.07622	0.8
193.06451	0.9
202.08597	0.9
221.05991	1.3
249.05496	2.3
277.04959	1.5
295.06143	1.8
304.01740	1.8
322.12872	100.0
323.05505	4.6
323.13202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0552
Annotation	Pongamone D
Peak:m/z	Relative Intensity
50.89210	0.5
55.01863	1.5
62.74464	0.5
66.98566	0.4
70.06606	0.5
71.48186	0.7
72.58553	0.4
81.03419	0.7
91.05482	0.6
93.57993	0.5
107.04951	1.8
117.03317	0.5
120.08105	1.9
121.82175	0.4
123.04402	0.7
131.04924	0.6
133.02853	0.8
136.29008	0.5
141.06972	1.4
144.08075	0.9
145.02835	1.2
147.04420	1.5
152.06123	0.7
152.10698	2.1
153.06975	1.0
155.08543	1.5
159.04388	0.5
160.07564	0.6
161.02351	1.0
161.05914	0.8
163.03902	1.1
164.37762	0.5
165.07005	16.9
167.08591	0.7
168.05650	0.7
169.06529	1.0
175.03963	0.7
175.05348	0.5
176.06203	1.8
177.05531	1.1
177.06987	2.5
181.06461	0.8
183.08041	1.4
189.07011	0.6
193.06494	13.5
195.08138	1.1
197.06003	2.1
201.09108	0.5
203.04892	1.2
203.08603	1.6
205.06531	5.7
207.02763	0.6
210.06844	0.8
211.07561	4.1
220.05205	0.7
220.08871	0.7
221.05981	36.6
222.06468	1.1
223.07532	1.2
225.05479	1.8
231.08127	1.7
233.06010	4.6
235.11565	0.5
237.09109	0.5
239.07051	9.2
248.08365	2.1
249.05481	39.2
250.06248	2.7
251.07056	1.0
253.04872	1.1
259.03992	1.2
259.07581	0.6
260.08316	0.6
261.05438	2.8
263.07080	0.8
263.10684	1.9
265.08685	0.6
266.05746	1.2
267.06546	10.8
276.07687	0.9
277.04968	25.1
277.08105	1.2
277.13431	1.2
278.05682	1.2
279.06509	5.3
291.10080	3.7
293.08096	0.7
294.05252	0.8
295.06012	41.7
296.06647	0.9
305.04440	8.8
308.10297	0.8
323.05518	100.0
323.12973	5.4
323.19562	2.9
324.05923	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07808	0.2
59.02044	0.2
59.46306	0.2
66.18892	0.2
71.13216	0.4
71.13562	0.2
76.15127	0.2
82.99871	0.2
98.97567	1.3
101.00907	1.5
116.98663	0.4
119.01915	1.8
122.97756	0.3
134.99782	0.2
140.98785	1.1
158.99904	3.1
164.64587	0.2
177.00957	10.5
178.01015	0.5
182.99860	3.3
185.46431	0.2
201.00937	12.5
202.01115	0.3
202.93489	0.4
219.02010	100.0
220.02161	3.3
220.94478	0.4
221.02377	0.6
224.02525	0.4
238.95581	4.1
239.95642	0.3
242.03612	3.8
256.96634	7.7
257.96780	0.7
261.97153	0.4
262.95557	0.5
272.94351	0.3
274.94626	0.3
274.97653	1.4
279.98154	1.4
280.96570	2.4
298.18594	0.2
298.97687	37.2
299.97678	1.5
307.92966	0.8
308.43008	0.6
310.43225	0.4
314.95917	0.2
316.93329	0.7
317.43457	0.6
319.43723	2.0
319.93857	0.5
320.43454	0.3
321.99240	3.3
328.44296	1.2
328.94290	0.8
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	Epivittadinal
Peak:m/z	Relative Intensity
53.03934	3.8
55.01862	6.1
55.05510	15.2
57.07065	5.0
57.56185	1.4
65.03914	1.6
67.05183	2.1
67.05505	29.4
69.03406	2.1
69.07068	12.9
71.04976	4.3
79.05494	36.8
81.03410	5.2
81.07055	100.0
82.77647	1.2
83.04975	4.6
83.08617	10.3
85.06515	3.4
87.04465	1.3
91.05472	20.0
91.22707	1.3
93.07047	24.9
95.04978	12.1
95.08051	2.4
95.08603	24.3
97.06516	5.5
97.10117	2.2
99.08074	2.9
105.07033	18.3
107.04927	7.0
107.08591	17.0
109.06519	54.4
109.10159	7.8
111.08097	3.2
116.90099	1.6
117.07022	5.8
119.08582	14.6
121.06499	3.7
121.10136	12.9
123.08067	23.3
123.11697	5.0
125.09592	2.9
129.07007	3.3
131.08557	8.6
133.06450	2.0
133.10106	14.1
134.84598	1.4
135.08052	5.8
135.11670	6.6
137.06076	1.3
137.09622	4.9
141.10385	1.4
143.08566	1.7
144.08081	2.9
145.10135	11.3
145.41005	1.4
147.04388	2.6
147.11682	13.6
149.09581	7.3
149.13274	8.9
151.11136	3.4
157.10121	3.2
159.11615	6.6
161.09653	1.9
161.13232	3.4
163.11163	7.8
163.14827	3.5
165.12720	4.8
169.10098	1.6
171.11713	2.2
173.13213	3.5
175.11165	2.4
175.14850	1.8
179.14310	19.1
187.14760	1.9
191.14200	1.9
193.12206	3.1
195.87137	1.3
202.86638	1.4
203.96138	1.3
215.18050	1.6
229.19534	2.6
229.32365	1.6
247.20583	6.6
257.18900	6.6
265.17963	3.4
275.20068	58.1
303.23279	1.8
321.16202	2.2
321.24249	48.8
321.32373	2.8
321.40152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.01868	1.1
55.05518	5.5
57.07075	5.4
67.05507	6.5
69.07066	5.9
71.08631	2.7
71.49044	1.2
79.05501	5.5
81.07054	8.2
83.04977	1.2
83.08616	3.6
85.06525	1.3
91.05450	2.8
93.07056	7.6
95.08613	9.7
97.10159	1.9
99.08105	1.7
105.07034	3.6
107.08618	3.9
107.40553	1.1
109.06528	18.4
109.10184	5.0
119.08582	2.5
121.10159	3.6
123.08075	43.1
123.11743	1.1
131.08568	1.2
133.10158	2.4
135.08054	4.8
135.11693	1.4
137.09644	3.2
144.08128	1.2
145.10149	2.1
147.04410	1.8
147.11700	1.6
149.09622	2.2
179.14322	68.6
205.15846	1.3
258.57590	1.1
261.22147	1.0
265.17929	9.8
270.23145	1.1
303.23181	3.3
321.24271	100.0
322.24789	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	18-Oxo-19-hydroxynerylgeraniol
Peak:m/z	Relative Intensity
53.03950	3.7
55.01872	7.1
55.05513	40.1
57.07066	3.7
67.05508	43.3
67.82746	2.8
68.67115	2.7
69.07073	23.1
71.05005	4.7
71.08617	4.4
71.49958	4.1
79.05494	44.0
81.03416	8.5
81.07058	51.0
83.04961	9.6
83.08631	31.7
84.26501	2.7
85.06554	5.7
91.05478	32.4
93.07043	48.0
95.04959	14.6
95.08601	37.5
97.06519	11.2
97.10155	12.9
99.08076	3.6
105.07034	35.6
107.04964	16.0
107.08601	32.7
109.06521	17.0
109.10177	18.2
111.08064	13.0
117.07023	16.7
119.04922	4.0
119.08588	30.8
120.45245	2.7
121.06470	7.8
121.10132	26.2
123.08080	39.6
123.11675	5.6
125.09621	15.3
131.08566	22.6
133.10129	23.0
135.08043	12.3
135.11694	13.1
137.09607	9.2
139.11157	3.8
143.08530	4.5
144.08128	5.2
145.10126	24.6
147.04417	10.5
147.11659	15.4
149.09625	28.8
149.13242	5.2
151.11143	7.4
155.08563	4.8
157.10161	6.6
159.11650	15.6
161.09621	3.0
161.13287	3.9
163.11139	28.0
165.12759	9.5
169.10075	8.0
170.09625	4.5
173.13263	6.8
175.11205	3.7
177.12639	4.5
179.14299	31.1
183.11630	3.4
189.12805	2.9
197.13335	6.3
217.14410	3.4
229.19525	7.7
239.17944	14.7
247.20534	6.6
256.93051	3.4
257.18924	18.4
265.17996	6.7
275.20090	100.0
278.30722	3.1
293.21103	3.5
303.23087	5.9
321.16098	6.8
321.24268	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
51.34427	0.7
53.33717	0.6
55.05514	6.3
57.07071	3.8
67.05508	4.9
69.07073	4.1
69.46033	5.3
71.04994	1.8
71.08627	2.9
79.05485	3.7
81.07065	7.0
83.04954	1.0
83.08621	2.0
85.06541	1.1
91.05497	1.4
93.07042	4.7
95.08619	9.2
97.06550	0.7
97.10191	2.0
98.21497	1.4
99.08080	1.0
102.88824	0.8
105.07031	2.3
107.08580	4.5
109.06528	15.9
109.10160	3.9
111.08070	1.5
113.34437	0.7
119.08601	3.5
121.06501	1.0
121.10195	3.6
122.07286	1.8
123.08076	49.5
123.11723	0.8
124.08370	0.8
129.07076	0.9
131.08539	1.1
133.10181	1.3
135.08067	6.2
135.11710	1.1
136.08823	1.0
137.09628	2.7
139.11157	1.2
145.10109	1.5
147.11710	1.2
149.09560	0.9
151.11172	0.9
161.13257	1.0
165.12727	1.1
167.14296	1.0
179.14322	64.9
191.14265	0.9
193.15924	1.7
205.15959	0.9
228.29787	0.7
234.07153	0.8
261.22098	0.9
265.18011	11.8
285.16156	0.7
303.23251	4.0
321.24261	100.0
322.24496	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03956	0.4
55.01865	1.1
55.05514	5.0
57.07076	3.9
57.43955	0.4
57.79168	0.4
57.95315	0.4
59.05010	0.3
67.05507	4.5
69.03418	0.5
69.07078	4.5
69.26456	1.4
69.26883	1.8
71.05013	0.8
71.08642	2.3
79.05489	3.8
79.16518	0.4
81.07055	7.6
83.04987	0.6
83.08626	2.2
85.06561	2.0
91.05489	1.9
93.07042	4.5
95.04977	1.1
95.08616	9.0
97.06538	1.1
97.10174	1.0
99.08095	1.5
105.07013	1.9
107.08582	3.2
109.06522	17.6
109.10156	2.6
111.08073	1.6
119.08588	2.9
121.06501	0.8
121.10133	3.1
122.07294	1.6
122.21246	0.4
123.08073	48.3
123.11681	0.8
124.08408	0.4
125.09643	0.4
131.08568	0.8
133.10100	1.9
135.08061	7.3
135.11679	1.2
137.09630	2.9
137.13321	0.5
139.11159	0.6
145.10095	1.4
147.11711	1.3
149.09639	1.8
149.13234	0.9
159.11792	1.0
160.08487	0.4
161.13194	0.5
163.11186	0.5
163.14783	0.7
165.12831	1.2
167.14325	1.1
177.12799	0.5
177.16422	0.8
179.14319	65.5
187.14838	0.4
191.14261	0.7
192.15056	0.6
193.15852	1.8
205.15868	1.0
215.14401	0.5
235.17148	0.4
247.16966	0.8
253.18121	0.4
261.22162	1.2
265.17999	11.3
279.19614	0.5
291.23141	0.4
303.23187	4.0
321.24252	100.0
322.24557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.01865	2.3
56.96568	2.4
65.03934	3.0
67.05504	13.2
69.03421	4.1
71.49291	2.5
79.05487	5.4
81.03419	5.0
83.04987	2.4
85.02924	3.8
91.05495	10.9
93.07041	3.0
94.06554	10.7
95.04965	13.0
97.02901	2.4
99.72329	1.8
105.07069	2.1
107.04958	2.5
108.05893	1.9
108.08115	6.4
109.02878	4.4
111.04495	2.7
119.04953	23.1
120.08092	4.9
122.06039	8.1
123.04456	2.0
128.07074	2.2
134.05968	2.3
136.07594	7.0
138.05524	20.2
138.09119	5.7
139.03926	5.4
144.08064	4.5
145.05116	2.0
146.06090	1.9
146.08420	4.3
147.04433	100.0
148.07556	2.8
151.03912	1.8
153.01857	10.4
153.05525	1.7
156.06589	6.2
157.08879	2.2
158.09619	4.4
165.05521	5.1
166.08661	9.6
170.09695	3.2
173.07153	4.2
174.07886	3.6
175.08685	7.9
181.08879	2.3
184.11266	4.6
189.10278	7.2
195.02948	2.6
196.09975	10.7
197.10655	3.7
200.07356	1.9
200.09265	2.2
201.10181	2.8
202.08672	4.8
202.10968	6.6
203.03401	9.0
203.11768	4.7
206.08427	20.4
211.12334	11.9
212.10870	2.5
214.08633	5.5
215.03444	3.3
215.09396	3.0
220.09998	3.7
221.10774	8.3
221.12822	3.1
223.08638	7.2
224.09439	8.8
227.08253	4.7
229.13457	2.7
230.11816	3.7
232.09683	4.0
233.10588	2.8
237.10385	3.3
238.11014	8.9
239.08235	3.8
239.11845	23.0
240.10294	3.1
241.09673	2.9
244.12082	6.6
248.13052	3.1
257.12872	14.4
258.11325	5.7
261.03979	2.9
262.13214	5.0
267.11322	55.9
272.11450	3.3
275.13846	9.0
276.12283	12.1
285.12378	87.5
290.12555	5.1
293.04370	2.5
303.01340	7.7
303.13419	51.5
304.11957	5.8
321.09784	21.3
321.14462	46.4
321.18207	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1599
Annotation	Meloscandonine
Peak:m/z	Relative Intensity
50.87348	0.2
53.03943	0.4
55.01862	0.4
59.11013	0.2
65.03929	0.4
67.05495	0.6
69.03393	0.3
69.07057	0.2
69.91373	0.8
73.94148	0.2
74.53500	0.2
77.03949	0.3
79.05499	2.0
80.05032	0.3
81.03395	0.5
81.07050	1.6
82.06599	0.2
83.04977	0.2
84.08158	0.3
91.05479	1.5
93.05780	0.5
93.07014	0.6
94.06551	0.2
95.04975	1.4
95.08627	0.3
96.04468	0.2
98.21370	0.3
103.05451	0.5
105.07034	1.4
106.06545	0.6
107.04952	0.7
108.08117	7.5
109.02880	0.4
109.06515	0.9
115.05443	1.1
117.05745	0.7
117.07024	2.2
118.06535	0.8
118.87003	0.2
119.04964	0.4
119.07197	0.2
119.08578	0.4
120.08099	0.7
121.06513	0.4
121.10197	0.3
122.06062	0.4
123.04466	0.2
124.07607	0.6
127.98535	0.2
128.06230	4.2
129.07014	2.9
130.06525	4.8
131.04922	0.3
131.07291	1.0
131.08563	0.4
132.08089	0.9
133.06482	0.7
133.10143	0.2
134.06023	0.4
134.09634	0.5
136.07581	2.1
137.06000	0.4
140.00287	0.2
141.06963	0.2
142.06543	0.6
142.07770	0.6
143.07314	3.7
143.08563	7.8
144.08084	39.6
145.06502	0.8
145.08424	0.4
147.04417	0.8
149.05936	0.3
149.33083	0.2
150.05481	0.7
150.09154	0.3
152.05931	0.4
152.07085	7.2
153.06972	1.9
154.06508	4.2
155.06116	0.7
155.07289	13.1
156.08081	2.1
157.08839	0.6
158.09650	5.5
159.09195	0.4
160.07553	0.4
161.05972	0.7
162.09151	1.2
164.07068	1.1
167.07306	1.1
168.06641	0.5
168.08087	7.2
169.08902	1.2
170.09645	100.0
171.10007	0.9
172.07504	0.5
172.11209	11.3
178.08614	0.9
180.08110	0.8
181.08864	0.4
182.09692	0.6
184.07556	0.4
185.10815	0.3
186.09154	0.3
190.08624	0.8
194.09698	0.7
196.11214	0.4
204.08134	0.7
205.08875	0.6
206.09680	0.8
207.10429	0.4
208.11360	0.3
210.09206	0.4
214.08655	0.7
217.08836	0.8
218.07466	0.4
218.09692	1.3
219.10483	1.3
220.11179	0.4
222.09065	0.3
222.12836	0.6
223.12430	0.3
230.09616	0.5
231.10498	0.5
232.11230	0.9
234.09109	0.6
234.12724	1.3
238.08551	0.4
243.10481	0.5
244.11227	0.5
246.06883	0.4
246.09190	0.5
246.13013	0.5
247.09987	0.5
248.10603	0.5
248.14449	0.4
249.10101	0.2
249.13899	0.5
251.15437	13.3
259.09811	0.3
259.12396	0.4
260.10770	0.4
261.09283	0.4
261.13843	1.7
262.12292	0.7
264.13864	0.6
274.12231	0.5
275.15430	0.4
276.13791	0.8
278.11819	0.7
286.12384	0.2
289.08566	1.0
290.11850	0.9
292.13272	1.0
293.16467	2.2
303.15057	1.3
303.64368	0.3
304.13388	0.7
306.08835	0.4
321.15973	34.4
322.16101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0973
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03949	0.6
55.05485	0.5
65.03941	1.7
67.05507	3.2
69.03434	1.0
69.53335	0.9
69.53738	2.0
70.06596	0.6
81.03419	0.7
81.07082	0.5
83.04996	2.6
85.02889	0.4
90.96565	0.4
91.05489	9.4
93.03422	1.6
95.04983	8.3
107.10575	0.4
109.02850	0.6
111.04478	3.0
119.04960	28.2
120.08144	0.4
121.02864	0.6
122.06026	0.5
125.02380	0.4
127.03938	0.4
134.06058	0.8
139.03931	2.5
143.03423	0.6
144.08127	0.4
147.04428	100.0
148.04771	0.7
152.07092	0.6
153.01822	3.9
153.02902	0.6
164.06999	0.8
165.05508	4.5
173.07170	1.2
175.14438	0.5
181.77014	0.5
189.10152	0.8
193.99519	0.4
195.02895	1.1
196.10005	0.6
202.10899	0.4
206.08511	0.4
223.08739	0.5
239.11658	0.5
244.12146	0.9
257.13040	0.9
265.05133	0.6
267.11292	1.0
273.10596	1.2
275.13943	0.9
285.12668	2.1
290.12656	0.4
303.01239	0.8
303.13818	2.1
321.09708	40.5
321.14255	2.1
321.18048	1.3
322.09653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	Photinide E
Peak:m/z	Relative Intensity
51.02376	2.2
52.03143	1.7
52.64660	1.6
53.00313	1.5
53.03757	1.2
53.03951	13.7
55.01872	6.8
55.05513	2.9
56.15267	1.2
57.03440	1.9
65.03943	1.8
67.05493	5.9
69.03430	33.1
70.06590	2.0
70.08464	2.7
70.08858	3.3
71.01341	3.5
71.04985	4.6
77.03943	2.5
77.16052	1.3
79.05071	1.8
79.05499	18.2
81.03420	52.8
81.07063	8.6
83.04961	4.8
83.78526	1.3
85.02895	6.0
91.05484	19.8
93.03400	1.8
93.07047	9.8
94.04229	2.3
95.04968	39.5
97.02901	15.5
97.06554	1.8
99.04469	8.9
101.04233	3.0
103.03870	2.0
103.05474	15.2
105.03386	2.8
105.04491	2.0
105.07028	6.8
107.04958	72.9
109.02882	100.0
109.06522	27.4
109.07256	1.7
111.04430	4.8
115.05467	4.3
117.07012	3.4
119.04946	20.8
121.06503	19.1
123.04441	7.5
125.02351	69.2
125.05974	4.1
127.03910	18.3
128.06215	1.9
129.07005	3.3
131.04910	13.0
133.02849	3.8
133.06500	5.3
135.04404	9.5
139.03928	3.6
144.08157	3.9
145.06487	3.3
147.04413	81.2
149.05984	33.4
150.18642	1.6
151.03909	50.1
153.05446	4.5
153.06923	1.8
155.08571	1.9
156.08025	3.1
157.06483	1.6
159.04442	13.2
159.08003	2.2
161.06049	2.8
163.03845	2.0
165.05437	2.3
167.03282	1.8
173.06041	2.3
175.02557	1.4
175.03915	8.6
175.64545	1.4
177.04031	4.2
177.05464	40.3
179.03444	2.3
183.07948	1.9
184.07581	1.7
185.05986	2.8
186.09129	1.6
187.07533	2.6
189.05482	4.4
190.59560	1.8
195.06555	8.3
195.08026	1.5
201.05431	3.5
203.07063	2.5
205.03526	3.9
213.05539	2.2
215.07150	3.6
231.06636	1.7
233.08080	2.9
237.05652	1.5
243.06610	2.0
251.09132	3.3
253.06950	1.8
257.08179	1.8
259.05856	2.4
273.07541	2.4
277.07034	1.7
285.07602	3.2
285.12289	2.3
289.11603	1.8
292.11853	3.8
303.08759	7.4
303.13382	3.2
321.09717	91.1
321.14270	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	1.9
66.03623	1.0
66.74459	1.1
68.98274	1.4
70.99826	2.7
71.48540	1.7
73.01410	1.3
81.03431	1.8
82.99826	12.6
85.01398	1.8
85.02902	1.6
86.99310	1.5
89.00907	1.8
91.02447	2.1
94.99826	2.6
97.01402	7.8
97.02902	1.5
99.02943	2.6
101.00883	73.3
103.02384	1.8
110.97530	1.1
113.00871	27.6
115.02432	23.0
115.03233	1.2
117.03994	7.2
119.01923	53.2
125.00877	3.3
126.98856	2.3
127.02401	7.3
129.00378	2.2
129.03995	5.3
131.01907	31.9
133.03473	27.1
135.05035	7.5
137.00822	9.7
137.02931	3.9
138.01642	2.0
139.02406	1.8
141.03946	4.5
143.01907	39.5
144.99863	2.5
145.01613	1.6
145.03468	14.9
147.01372	2.1
147.05016	3.8
149.02931	2.9
151.04477	2.1
153.03963	2.4
155.01897	32.2
155.05533	1.8
156.02675	4.1
157.03435	8.7
159.01367	1.6
159.05035	34.3
161.02962	26.7
163.04503	4.4
167.01927	1.6
167.71362	1.1
168.99811	15.6
171.01404	8.5
171.05031	38.7
173.02962	24.6
173.06587	7.7
175.04495	3.3
177.02457	1.6
177.06047	8.0
183.01433	2.6
183.05025	3.7
185.02856	5.3
185.06624	3.0
187.00887	25.3
187.04497	3.3
189.02461	14.5
189.03998	1.8
189.04295	1.5
189.06075	16.3
191.04028	10.8
195.05055	1.4
196.99277	10.1
199.04428	2.1
201.02455	5.2
201.06062	12.5
203.03999	23.5
203.07663	2.3
205.01930	5.2
213.06134	7.5
215.00369	25.3
217.01956	1.9
217.05612	1.3
219.03568	5.4
219.07155	4.8
221.05081	37.5
229.01915	22.0
231.03494	4.8
231.07089	2.1
233.01404	2.9
233.05084	17.0
235.06737	1.4
243.07185	5.4
245.05019	3.2
247.02994	55.4
249.04503	3.3
261.08215	65.6
262.08435	1.3
265.04031	4.7
276.90448	1.2
279.09250	100.0
280.09436	2.7
289.04025	7.0
321.06631	6.3
321.10251	55.1
336.69025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22251	1.9
69.58164	12.4
70.99866	3.8
82.99851	9.8
89.00886	3.4
94.99837	3.4
97.01381	4.2
98.97587	2.0
101.00890	55.0
103.00614	2.1
113.00861	24.7
115.02473	12.6
117.03993	2.4
118.76413	2.2
119.01066	2.7
119.01926	54.3
124.23643	1.8
126.98745	2.5
127.02418	3.8
129.03906	3.2
131.01917	33.5
133.03490	22.1
137.02957	4.1
139.02373	2.6
141.06570	4.6
143.01906	16.0
144.99817	2.0
145.03456	8.4
147.05019	2.2
149.02914	3.5
155.01921	25.5
157.03500	9.6
159.01361	3.2
159.05081	8.0
161.02974	14.8
163.02678	2.3
163.04547	2.7
167.02022	2.6
168.99849	14.5
171.01396	6.6
171.04947	9.9
173.02962	40.2
175.04561	4.1
177.02441	6.1
177.06117	2.5
183.01376	7.2
185.02982	9.5
187.00897	23.2
189.02469	9.3
189.06062	2.0
191.04015	15.9
196.99332	7.8
201.02463	82.4
201.06142	4.1
203.04037	10.8
205.01944	3.2
205.03781	2.6
213.02440	18.7
214.98560	1.9
215.00409	26.5
219.03514	100.0
220.03720	2.7
221.05116	20.1
229.01958	16.9
231.03513	21.2
233.05084	16.5
233.07149	3.1
235.06619	2.4
237.04471	2.7
239.06120	6.9
245.05183	3.8
247.02994	41.5
249.04524	9.9
261.04584	6.8
261.08350	9.3
265.04065	3.3
279.05774	5.0
279.09268	16.0
289.04105	8.3
303.05597	2.6
321.06613	24.2
321.10059	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00849	14.1
57.03446	11.1
69.03407	15.5
70.22216	50.1
82.99805	14.1
85.02895	13.9
86.99319	13.6
88.51466	12.1
90.53640	13.9
97.02914	22.3
101.00885	76.2
103.00610	24.9
103.02448	15.0
107.04951	27.4
113.00876	31.3
115.02439	20.4
119.01903	66.2
121.01659	22.9
121.40295	12.8
127.02399	33.8
129.04002	22.0
131.01926	33.4
133.03461	32.9
143.01891	70.5
145.01721	16.2
145.03490	56.4
155.01907	50.9
157.01651	15.4
157.03455	36.4
159.04987	21.2
161.03001	61.8
163.03905	44.4
167.85582	12.6
169.03513	43.2
171.05038	36.4
173.02994	46.7
175.02675	18.5
175.04449	19.5
183.05144	15.2
185.02957	21.3
187.04524	38.3
189.02406	15.9
197.02934	24.0
199.00990	16.1
199.04552	18.3
203.04066	65.0
210.03229	15.2
214.58368	15.7
215.03979	17.7
217.01991	17.4
221.05069	54.6
241.05807	14.9
245.05023	31.4
247.06631	26.2
253.43578	13.1
259.06650	19.4
273.08286	48.1
275.06174	24.2
287.02219	15.8
291.09448	23.7
301.04218	21.7
319.07254	100.0
319.10135	51.9
319.13354	28.7
337.09665	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64443	17.2
55.82568	16.9
61.02921	17.8
63.30991	17.7
63.42065	16.6
69.29522	17.8
69.80677	36.6
69.81082	63.4
77.01097	14.7
80.64445	16.8
84.32742	17.7
95.58910	16.8
98.20863	22.4
98.46694	17.0
99.78195	18.3
101.00869	85.0
107.04958	47.2
113.00816	26.9
115.02439	32.8
119.01876	31.6
121.01609	18.4
127.02406	25.1
129.03961	24.1
131.01912	34.7
143.01875	67.9
145.03474	60.3
155.01947	19.8
157.03462	30.8
161.02975	43.8
163.03882	36.2
169.03503	95.5
171.01404	19.9
173.02983	35.8
175.02809	22.3
183.05060	30.2
185.03041	25.7
187.02977	18.6
187.04567	50.0
203.04008	45.3
211.08203	21.9
221.05023	64.6
233.05003	20.8
245.05086	21.3
247.06580	30.2
259.01080	21.9
273.08191	39.9
291.09067	20.4
319.07187	100.0
319.10355	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.045
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.28482	0.2
58.26165	0.2
58.48663	0.2
60.01743	0.2
63.47292	0.3
65.03938	0.5
67.01844	0.4
68.99791	3.9
69.03413	0.4
70.61010	0.2
71.49220	0.4
72.51759	0.2
79.01848	0.4
79.05487	0.3
81.03393	0.8
81.07055	0.3
88.41721	0.3
91.05457	0.5
93.03382	0.6
93.06990	0.2
97.02867	0.7
103.05461	0.2
105.07053	0.3
107.04939	0.4
109.02869	3.1
111.00813	4.6
111.04467	0.6
115.05430	0.5
118.41790	0.3
119.08544	0.3
119.72291	0.3
121.02853	0.4
121.06500	0.4
123.04408	0.4
125.02315	0.5
126.03103	0.4
127.03885	0.8
133.02856	0.4
135.04343	0.3
137.02345	4.8
137.06023	0.3
139.03928	1.1
144.08101	0.6
147.04408	0.7
149.06012	0.3
151.03915	0.5
153.01833	23.2
153.05420	0.5
161.06000	1.3
163.03963	1.3
165.00554	0.5
165.01837	5.8
165.05415	0.3
166.02591	0.9
166.05017	0.3
171.04428	0.7
175.03938	0.7
177.05482	0.6
179.03383	2.9
183.02907	1.8
189.01686	0.3
189.05493	1.9
193.01456	0.6
195.02867	1.4
199.03922	0.9
203.03348	1.7
205.05016	0.3
207.02892	0.9
217.04967	8.1
219.02910	0.3
221.04457	1.0
227.03387	1.0
229.04977	0.8
231.02954	0.7
232.03685	0.3
235.02351	0.5
235.06027	0.5
244.03638	0.9
245.04465	9.5
246.04935	0.4
255.02916	1.0
263.05496	1.4
272.03033	0.3
273.03952	8.7
276.21799	0.3
276.34113	0.3
283.02280	0.4
290.04211	2.6
291.05042	0.3
301.03561	1.9
301.11652	0.9
319.04480	100.0
320.04590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01876	0.5
65.03925	0.7
67.01853	0.6
68.99791	4.4
69.03410	0.4
69.72646	0.8
69.73054	0.4
72.87387	0.2
79.01851	0.5
81.03410	0.6
93.03397	0.7
97.02889	0.5
105.03374	0.2
105.07027	0.5
107.01352	0.3
109.02887	3.1
111.00803	4.5
111.04441	0.5
115.05445	0.4
121.02869	1.0
121.03621	0.2
121.06518	0.4
123.04429	0.4
124.26208	0.2
125.02338	0.6
126.03138	0.7
127.03892	0.7
133.02867	0.4
133.06482	0.4
134.05879	0.2
135.04428	0.2
136.29529	0.2
137.02341	4.4
139.03900	0.8
143.03398	0.3
143.04964	0.3
147.00774	0.2
147.04408	0.7
149.02411	0.4
149.06012	0.5
151.03873	1.4
151.07515	0.2
153.01826	23.8
161.02365	0.4
161.05936	0.9
163.03932	0.3
165.01837	6.8
165.92513	0.2
166.02620	1.1
166.05048	0.3
169.76929	0.2
171.04372	1.0
175.03915	0.5
177.05440	1.0
179.03387	3.2
183.02858	1.6
187.03935	0.2
189.01855	0.3
189.05486	2.5
193.01295	0.5
193.04932	0.2
194.02141	0.2
195.02882	1.5
199.03859	0.8
201.05521	0.3
203.03363	1.4
205.04930	0.2
207.01199	0.2
207.02814	1.1
208.03604	0.3
209.04437	0.3
216.04187	0.3
217.04953	8.4
218.05409	0.2
219.02898	0.5
221.04436	0.8
227.03381	0.9
229.04985	0.6
231.02893	0.9
232.03679	0.4
235.02344	0.4
235.06032	0.9
239.01927	0.5
244.03680	0.5
245.04457	9.4
255.02853	1.2
263.05496	0.9
271.10794	0.3
272.03183	0.4
273.03928	7.7
283.10767	0.3
290.04294	1.9
291.04886	0.4
301.03470	1.8
301.11667	0.5
319.04474	100.0
320.04898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.95763	0.4
55.01872	0.6
55.05508	0.6
57.03430	1.2
61.02909	1.4
67.05485	0.9
69.03150	0.3
69.03433	3.7
69.07053	0.7
69.33860	2.7
69.63081	0.4
71.04981	0.5
73.02924	0.9
79.05460	0.5
81.03403	1.4
81.88366	0.4
82.06593	0.7
82.51401	0.4
85.02908	6.9
86.09687	0.6
87.04466	1.2
91.03985	0.4
91.05482	0.7
93.07055	2.0
95.07334	0.5
95.08626	1.8
95.14566	0.4
96.04496	3.1
96.08125	2.7
97.02905	3.0
97.05254	1.7
97.06529	1.4
99.04453	0.5
100.07607	1.6
103.05463	0.5
108.08123	0.6
109.02851	1.4
109.06497	0.5
110.06045	6.8
110.09677	4.0
111.08078	0.6
120.08099	1.2
121.06519	2.1
125.08373	0.7
126.09158	8.6
127.03915	1.6
128.10730	0.4
138.09138	21.8
139.07555	1.0
142.34088	0.3
145.04959	1.3
148.47997	0.4
152.10660	0.6
156.10201	100.0
157.10535	1.3
168.10211	1.1
177.07825	0.4
180.10150	0.7
198.11308	0.8
222.11281	0.4
227.07869	0.5
275.05106	1.0
288.10626	0.7
300.10266	0.4
318.07040	2.6
318.11880	0.8
318.15448	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03931	1.7
55.01863	2.0
55.05510	8.0
57.07073	11.5
57.92362	0.7
58.06594	2.6
59.04990	2.3
65.03930	1.0
67.05507	29.5
69.03419	3.8
69.07060	3.8
70.06593	20.4
71.04976	2.2
71.08611	3.4
71.08950	1.8
79.05480	6.0
81.03399	1.6
81.06597	1.2
81.07059	17.5
83.04960	2.3
83.08604	2.8
85.06523	1.0
85.10183	1.5
86.09693	1.1
88.07632	27.7
91.05479	11.1
93.07048	11.9
95.04968	15.1
95.08614	11.2
97.06506	3.8
102.09184	16.6
105.07023	10.4
107.04952	1.5
107.08597	22.8
108.05712	0.9
109.06514	10.9
109.10159	48.4
111.00027	0.8
117.07030	3.1
119.08584	29.8
121.06492	4.6
121.10139	5.8
123.08076	14.0
124.00034	0.8
125.06016	1.7
128.06184	1.0
131.08572	4.8
132.10223	1.3
133.06494	2.3
133.10110	4.6
135.08067	7.7
135.11674	1.4
137.05974	1.5
137.09619	37.7
142.07765	1.5
143.08542	3.1
145.10081	6.0
147.08051	3.5
147.11693	2.3
149.09605	3.6
149.13261	0.8
151.07542	37.6
153.05452	3.4
155.08456	1.0
156.09334	1.8
157.10103	2.7
159.08040	1.5
159.11694	2.7
161.09671	5.3
161.13228	1.1
163.07538	2.2
163.11182	2.1
165.09169	4.2
167.07076	1.5
168.09312	0.9
169.10095	1.4
171.11678	3.5
173.09602	2.5
173.13225	1.6
175.11206	2.1
175.14882	0.9
177.09094	2.9
177.12746	1.1
179.10661	0.9
181.08585	2.2
181.12267	2.8
183.11700	1.2
185.13251	0.8
189.12729	12.9
191.10722	1.2
192.11421	0.9
197.13240	1.3
199.11179	2.0
201.12749	2.0
203.14270	1.7
207.13808	14.7
211.28078	0.9
212.23763	1.8
215.14082	1.8
217.12173	1.0
219.13785	1.1
221.15337	2.2
225.12740	1.1
233.15233	1.7
237.14844	3.7
243.13748	4.2
256.26355	49.7
261.14835	1.1
281.19031	1.9
299.20035	5.6
300.28897	2.5
315.43900	0.9
317.06458	2.5
317.21091	39.9
318.30017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01867	4.3
55.05515	17.5
56.92786	1.2
57.07085	8.0
58.22107	1.3
59.04998	6.2
65.03928	3.4
66.99300	1.2
67.05508	59.8
69.03426	5.2
69.07063	6.1
70.06604	6.0
71.04980	2.8
71.49131	1.9
79.05493	9.1
81.03410	1.5
81.07059	29.0
83.04977	2.7
83.08615	2.3
85.06546	2.1
88.07639	9.6
90.31808	1.2
91.05490	16.5
93.07051	21.1
95.04971	26.9
95.08617	25.9
97.06532	5.7
102.09187	6.3
105.07034	18.3
107.04912	1.9
107.08601	38.2
107.09315	2.8
109.06524	18.7
109.10161	100.0
111.08117	1.3
111.90272	1.5
115.05472	1.8
117.07030	5.9
119.04916	1.3
119.08588	58.4
121.06509	7.2
121.10162	7.3
122.07343	1.8
123.08071	22.5
125.05993	1.9
129.07001	2.0
131.08577	7.3
133.06503	4.2
133.10138	8.2
135.08041	11.2
135.11667	2.5
137.06013	4.0
137.09619	78.4
143.08527	3.7
145.06453	1.5
145.10127	7.7
147.08018	6.0
147.11603	2.4
149.09630	5.0
151.07552	56.1
153.01778	1.5
153.05435	6.9
155.08632	1.8
156.09373	3.2
157.10147	2.9
159.08087	4.2
159.11661	4.3
161.09650	8.1
161.13248	2.4
163.07518	2.9
163.11220	3.8
165.09116	5.9
167.07088	1.4
168.09308	1.3
169.10196	2.0
171.11697	5.1
173.09576	1.7
173.13272	4.4
175.11162	2.7
177.09161	3.3
181.08684	3.1
181.10185	1.6
181.12221	3.6
183.11784	2.0
185.09644	2.0
187.11316	2.1
189.12756	24.0
192.32751	1.2
197.13191	2.2
199.11214	3.3
201.12767	2.3
203.14310	3.0
207.11876	2.4
207.13788	19.7
213.12663	1.5
215.10655	1.4
215.14337	2.8
217.12309	1.9
221.15356	3.4
223.14786	1.6
225.12724	2.0
233.15465	2.7
237.14899	5.8
239.17964	2.0
243.13828	8.9
253.19795	1.7
256.26331	15.4
260.17828	1.7
261.14902	5.0
281.18924	3.3
281.69226	1.4
299.20068	11.3
317.06723	7.1
317.09976	1.6
317.21130	73.9
317.28836	4.4
318.21521	1.7
318.30035	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03954	2.2
55.01867	4.3
55.05515	17.5
56.92786	1.2
57.07085	8.0
58.22107	1.3
59.04998	6.2
65.03928	3.4
66.99300	1.2
67.05508	59.8
69.03426	5.2
69.07063	6.1
70.06604	6.0
71.04980	2.8
71.49131	1.9
79.05493	9.1
81.03410	1.5
81.07059	29.0
83.04977	2.7
83.08615	2.3
85.06546	2.1
88.07639	9.6
90.31808	1.2
91.05490	16.5
93.07051	21.1
95.04971	26.9
95.08617	25.9
97.06532	5.7
102.09187	6.3
105.07034	18.3
107.04912	1.9
107.08601	38.2
107.09315	2.8
109.06524	18.7
109.10161	100.0
111.08117	1.3
111.90272	1.5
115.05472	1.8
117.07030	5.9
119.04916	1.3
119.08588	58.4
121.06509	7.2
121.10162	7.3
122.07343	1.8
123.08071	22.5
125.05993	1.9
129.07001	2.0
131.08577	7.3
133.06503	4.2
133.10138	8.2
135.08041	11.2
135.11667	2.5
137.06013	4.0
137.09619	78.4
143.08527	3.7
145.06453	1.5
145.10127	7.7
147.08018	6.0
147.11603	2.4
149.09630	5.0
151.07552	56.1
153.01778	1.5
153.05435	6.9
155.08632	1.8
156.09373	3.2
157.10147	2.9
159.08087	4.2
159.11661	4.3
161.09650	8.1
161.13248	2.4
163.07518	2.9
163.11220	3.8
165.09116	5.9
167.07088	1.4
168.09308	1.3
169.10196	2.0
171.11697	5.1
173.09576	1.7
173.13272	4.4
175.11162	2.7
177.09161	3.3
181.08684	3.1
181.10185	1.6
181.12221	3.6
183.11784	2.0
185.09644	2.0
187.11316	2.1
189.12756	24.0
192.32751	1.2
197.13191	2.2
199.11214	3.3
201.12767	2.3
203.14310	3.0
207.11876	2.4
207.13788	19.7
213.12663	1.5
215.10655	1.4
215.14337	2.8
217.12309	1.9
221.15356	3.4
223.14786	1.6
225.12724	2.0
233.15465	2.7
237.14899	5.8
239.17964	2.0
243.13828	8.9
253.19795	1.7
256.26331	15.4
260.17828	1.7
261.14902	5.0
281.18924	3.3
281.69226	1.4
299.20068	11.3
317.06723	7.1
317.09976	1.6
317.21130	73.9
317.28836	4.4
318.21521	1.7
318.30035	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1387
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
50.10049	1.8
50.11647	1.6
50.86121	1.7
53.03934	1.7
55.01868	3.8
56.47215	1.7
69.03436	3.9
70.14050	6.0
79.05500	2.7
81.07074	4.7
91.05486	25.5
93.07052	3.4
94.04192	2.4
95.04977	8.3
98.20857	2.5
103.05472	5.7
107.04954	6.2
107.08598	1.6
109.06513	5.1
117.07034	2.3
119.04961	13.3
119.08622	3.9
121.06528	15.0
122.03671	6.2
123.04430	13.8
125.05940	2.5
128.06232	5.1
129.07013	18.2
131.04919	2.8
133.06499	2.1
135.04434	5.2
137.05989	100.0
145.06577	2.6
146.03647	2.8
147.04453	18.9
147.08057	7.2
149.05998	26.1
150.06769	5.6
151.03969	2.0
151.07549	59.8
151.26549	1.8
152.06218	2.2
157.06480	12.1
158.15469	2.8
160.05292	1.9
161.06023	6.0
163.07510	3.8
165.07005	16.6
167.07239	1.9
167.08629	6.7
169.06483	2.4
175.07559	39.3
178.07805	3.7
181.06529	4.5
182.07259	3.9
183.08058	2.5
185.13515	1.8
189.09026	2.8
192.67462	1.8
193.06525	8.8
193.08597	4.9
193.10188	5.8
195.08066	9.1
197.05914	2.9
203.08571	2.2
205.29300	1.8
207.08054	3.2
210.06787	9.2
211.07610	10.4
213.09044	8.8
221.06056	11.5
221.09619	9.4
223.07564	5.5
225.09155	7.5
238.06244	6.1
239.07025	10.1
241.08649	7.6
249.09167	4.8
253.08546	11.6
253.12245	8.7
255.06740	3.2
255.10075	2.5
258.08832	4.3
267.10202	3.3
270.08838	4.2
271.09659	27.6
273.11203	15.3
281.11810	5.2
287.10327	5.4
299.10080	3.9
299.12845	20.0
317.03104	3.8
317.06598	8.3
317.10904	4.0
317.14230	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	317.1287
Annotation	Xanthocillin X dimethyl ether
Peak:m/z	Relative Intensity
50.34437	0.3
55.35396	0.4
58.57758	0.4
65.03895	0.6
66.62565	0.3
70.74361	0.7
70.74701	0.4
74.35426	0.3
81.03365	0.5
81.07040	0.8
91.05437	1.6
95.04948	0.5
103.05447	1.2
105.07050	0.6
106.06564	0.4
107.04935	0.5
109.02855	0.5
109.06511	0.4
115.05448	1.5
117.07030	3.3
119.08623	0.5
121.02875	0.6
123.04383	0.8
128.04968	0.5
128.06165	0.4
129.07019	1.2
130.06540	2.3
130.43028	0.4
131.04958	0.6
133.02876	0.4
135.04404	0.5
137.02373	2.2
137.05975	1.0
140.78500	0.4
141.07063	0.4
142.06468	0.8
143.07283	2.4
144.08092	68.5
145.06468	0.5
145.08488	0.6
146.06107	0.5
147.04457	2.4
151.03935	0.8
153.01855	1.4
155.06085	0.9
156.04475	1.7
156.08073	1.8
157.08908	1.5
167.03429	2.8
167.07266	0.7
168.08104	1.6
169.07632	3.5
174.05524	8.0
174.06917	0.7
175.07564	0.5
177.09113	0.4
179.03403	1.4
187.07579	0.5
197.06114	0.4
197.09538	0.4
200.04765	0.8
215.06984	0.7
217.08769	0.7
218.09756	0.8
228.07938	0.5
229.04994	1.0
229.08739	0.4
241.08885	2.7
242.09706	4.7
243.06590	2.2
243.10490	3.7
244.11241	4.2
246.09190	0.7
254.09608	4.5
254.11797	0.4
255.10683	1.9
256.07523	0.5
256.11179	0.7
258.09265	1.3
262.08960	0.4
268.09814	0.4
269.10922	0.7
270.09146	7.5
271.06189	1.2
271.12515	1.4
273.13153	0.5
274.04797	0.6
274.08786	1.0
276.10455	0.5
284.09503	0.5
285.04095	0.5
285.11603	0.4
286.08859	0.5
288.06891	0.7
288.10260	5.9
289.09918	0.6
299.05539	0.8
299.11566	1.8
300.09845	0.5
301.09818	0.8
302.04202	2.4
302.10660	0.5
315.11246	4.3
317.06824	37.2
317.12830	100.0
318.07330	0.9
318.13290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03930	0.8
68.99792	0.5
70.79060	0.3
70.79384	0.3
92.02622	3.7
93.03407	2.7
94.04125	0.3
96.32264	0.2
99.08342	0.2
109.02853	0.2
111.00831	0.2
117.06993	0.3
121.02876	2.4
122.03684	0.3
126.03150	1.3
137.02315	0.5
137.06047	0.4
139.03896	1.6
145.06480	0.3
151.03900	1.4
152.01108	0.3
153.01837	19.0
155.04900	0.4
163.03935	0.3
165.01866	1.3
166.02667	0.6
168.41179	0.2
172.05298	0.2
173.06009	0.5
174.32001	0.2
177.05487	0.5
179.03444	0.3
183.02933	0.4
183.04393	0.5
187.03952	0.2
190.06282	0.2
200.04733	0.7
201.05516	1.9
203.03416	1.9
204.04266	0.5
211.03827	0.2
217.04955	3.2
218.05759	1.4
219.02887	0.6
228.04199	4.2
229.04977	8.5
231.02898	1.2
232.03635	0.3
239.03413	0.2
243.06682	0.3
245.04478	4.4
246.05252	3.7
256.03653	0.5
257.04483	4.8
258.05414	0.3
260.03134	1.1
261.07455	0.5
271.05994	0.4
273.03973	3.4
274.04752	7.3
284.03183	1.2
285.03967	8.1
286.04550	0.2
287.02097	0.4
288.06302	0.4
301.03491	0.5
302.04230	22.5
303.04514	0.4
317.06577	100.0
318.06998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
64.03158	0.2
65.03927	0.8
68.99796	0.7
69.55695	1.2
75.54154	0.2
92.02631	3.7
93.03418	2.7
94.04186	0.4
95.04994	0.3
98.21509	0.4
109.02853	0.3
121.02850	2.0
122.03707	0.2
124.01590	0.2
126.03160	1.1
131.04962	0.3
133.02884	0.3
137.02422	0.6
137.05998	0.3
139.03923	1.6
144.08080	1.4
145.06496	0.3
149.02376	0.2
150.03302	0.2
151.03949	1.7
152.01089	0.5
153.01842	17.3
155.04961	0.3
161.06012	0.3
163.03946	0.4
165.01817	0.9
166.02672	0.4
171.04390	0.3
173.05968	0.5
177.05505	0.4
179.03412	0.2
183.02910	0.4
183.04436	0.3
187.03909	0.6
200.04691	0.7
201.05513	1.8
201.84230	0.2
203.03407	1.5
204.04221	0.4
217.05000	3.4
218.05772	1.2
219.02942	0.8
228.04195	3.5
229.04974	7.0
231.02888	1.3
233.04300	0.2
239.03531	0.3
243.06514	0.2
245.04472	4.2
246.05241	3.3
256.03638	0.3
257.04462	4.6
258.05414	0.3
260.03131	0.9
261.07605	0.6
271.06094	0.4
273.01215	0.4
273.03955	3.3
274.01715	0.3
274.04736	7.4
284.03214	0.9
285.03967	7.7
295.71255	0.2
301.03412	0.4
302.04236	23.5
317.06583	100.0
318.06937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0636
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
65.84323	5.8
65.91958	7.1
69.03423	16.8
71.09177	14.6
81.38309	6.1
85.02903	36.5
86.55849	8.9
91.78898	6.6
94.66708	6.0
97.02891	10.4
101.00889	33.7
113.00900	7.2
119.01928	26.1
131.01932	17.0
143.01915	24.7
145.03511	13.5
146.05031	13.5
147.05101	11.1
154.94231	10.7
155.01952	23.5
157.03488	7.4
161.02951	11.3
169.03520	8.9
171.05116	11.9
173.02985	23.2
173.04535	6.4
183.55101	8.9
185.03024	13.5
189.06160	11.0
196.99519	8.2
214.96458	8.0
215.04100	9.3
221.05119	16.4
227.07689	12.0
291.09308	27.1
317.03110	11.8
317.06259	100.0
317.12192	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	317.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25863	5.4
52.20251	4.5
56.96561	13.8
69.03419	7.4
69.95646	4.3
71.48365	7.7
81.03395	6.1
82.99838	9.5
85.02897	14.1
86.99324	6.0
89.03919	11.3
94.16565	5.0
97.02890	6.6
98.97577	25.4
101.00880	50.4
107.04948	17.3
107.45596	5.2
110.97536	8.3
113.00845	15.9
116.98604	6.9
117.03365	9.3
119.01930	45.7
127.02448	11.7
129.03969	5.9
131.01881	25.1
133.03502	7.0
135.04407	15.3
136.93132	14.6
139.02414	6.1
143.00131	7.9
143.01891	49.8
145.03485	17.3
154.94112	24.0
155.01904	27.3
157.03474	10.9
161.02948	42.5
163.03914	61.7
164.04234	13.1
169.03493	12.5
171.01445	7.8
171.04999	17.2
172.59779	6.0
172.95271	13.3
173.01556	6.4
173.02910	26.7
175.04552	6.3
177.00883	6.9
185.02953	16.6
187.04523	9.0
189.02489	6.3
197.02974	8.8
198.22636	5.1
199.04498	5.5
203.00836	5.3
203.02542	17.7
207.03508	5.9
211.04558	14.3
214.96243	18.3
215.00435	10.8
215.04041	12.8
215.07581	9.9
221.05072	10.7
233.01460	10.3
234.01666	6.3
237.02782	7.4
239.06050	10.6
245.05338	6.1
251.02545	13.7
257.01321	9.0
276.06281	7.6
317.06522	100.0
317.10559	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	316.285
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.39716	0.6
53.03950	0.6
55.05525	4.8
56.05054	4.8
56.36435	0.6
57.07080	2.6
60.00066	0.5
60.04535	100.0
67.05515	7.8
68.05027	0.9
69.07077	4.9
70.06597	1.2
71.08619	1.3
71.08962	0.8
72.04541	1.6
74.06091	2.1
74.54807	0.7
79.05505	3.5
80.05029	0.7
81.07072	8.2
82.06583	1.2
83.08633	3.2
87.04480	2.4
90.05582	1.6
91.05495	2.4
91.69046	0.6
93.07063	3.4
94.06563	0.8
95.04986	0.6
95.08620	7.2
97.06567	0.6
97.10184	1.7
98.06026	0.7
105.07069	1.8
107.08600	2.4
109.10179	3.9
119.08609	1.3
121.10162	1.3
133.10170	1.2
135.11702	0.7
212.23793	0.9
239.61018	0.6
250.25325	0.9
262.25305	1.2
280.26392	11.4
298.24121	1.4
298.27435	12.8
315.65579	0.6
316.28506	36.9
317.28754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1546
Annotation	3'-Hydroxy-N-methyl-(S)-coclaurine
Peak:m/z	Relative Intensity
53.03952	1.1
69.03423	1.0
71.48727	1.2
75.16390	0.9
76.50471	0.8
79.05491	1.0
82.41386	0.7
88.68607	0.6
91.05483	6.1
93.07045	0.9
95.04980	21.6
103.05484	3.6
107.04986	1.2
109.06520	1.6
119.04952	33.2
120.08112	71.5
121.06494	3.0
122.06064	1.4
123.04439	47.5
137.05988	1.4
147.04437	18.0
152.10716	84.3
165.04137	1.2
165.05479	9.1
274.04767	1.4
284.12701	1.0
296.90549	0.8
316.15460	100.0
317.06512	4.5
317.15674	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Anomoline
Peak:m/z	Relative Intensity
51.02391	0.5
53.03946	3.7
61.66570	0.5
70.06589	1.6
70.73756	1.3
77.03957	0.8
79.05473	0.4
81.03427	0.6
86.09721	1.5
91.05482	12.0
93.07051	20.0
93.07646	1.0
95.04967	3.1
103.05469	14.1
105.04523	1.2
107.04955	0.7
107.71754	0.5
118.06554	1.7
119.04937	1.1
120.08115	23.5
121.06512	100.0
122.06834	0.9
123.04444	0.5
136.07573	2.6
146.05994	0.7
151.07515	0.7
152.10730	0.6
154.08722	0.6
164.07092	16.3
165.05492	0.6
196.09711	24.5
204.03838	0.5
204.10069	0.5
236.12721	0.6
240.13904	2.2
241.45990	0.6
284.10062	1.0
284.12634	2.4
295.92471	0.5
299.10107	0.5
316.15463	66.5
317.06528	0.7
317.11981	1.1
317.15607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.9
55.05487	2.8
56.13264	2.6
56.96557	3.5
57.03437	14.1
58.68816	2.9
58.99856	3.7
59.04999	2.8
61.02926	100.0
67.01859	2.7
69.03432	22.4
70.99854	4.5
71.47704	2.9
71.48125	4.5
73.02911	10.8
81.03423	2.9
82.99834	4.9
83.04974	7.1
85.02904	30.6
87.00839	6.1
89.00874	3.6
89.03928	5.3
91.02470	3.5
95.01328	4.4
95.05001	4.8
97.02856	6.0
98.97606	2.9
101.00883	37.1
101.02359	5.2
102.00975	3.6
103.02429	3.8
107.04955	7.9
111.02930	2.8
111.04460	3.4
113.00861	10.5
113.01656	4.1
113.02362	23.6
115.02434	12.1
116.02124	4.1
117.03403	6.3
119.01923	45.1
120.02033	5.4
124.82812	2.6
126.98811	7.2
127.02389	5.9
127.03936	6.8
129.01863	4.7
129.03914	3.9
131.01918	21.6
131.03407	9.6
132.01666	8.0
133.02426	8.7
133.03468	22.4
134.03677	3.0
135.04446	8.3
137.02748	7.9
139.02359	6.4
139.04080	4.5
143.01886	24.3
144.99841	15.4
145.03600	13.9
145.99948	10.6
146.03191	2.9
146.99623	3.6
147.01341	4.8
149.02913	5.5
151.02480	2.8
155.01889	18.5
156.97534	4.5
157.03488	9.3
157.97551	3.2
159.01347	3.9
160.01204	2.4
160.02977	3.4
160.48360	2.6
161.02963	18.9
163.00993	3.4
163.03870	38.9
164.04251	4.0
167.01866	5.7
167.03679	3.6
168.99869	15.2
169.03481	18.3
169.99921	3.6
171.01408	14.4
171.05009	5.2
172.01506	2.9
172.99312	4.1
173.02962	23.8
174.02895	3.0
175.02437	8.4
175.04576	4.8
176.02420	2.8
177.02464	7.6
180.02699	5.7
180.04362	3.4
181.01620	9.6
181.03410	8.9
185.02957	9.3
187.00917	17.5
187.04543	11.9
188.00993	3.8
188.02531	6.3
188.04306	4.3
189.00961	2.9
189.02525	9.8
190.02228	14.4
190.03795	6.3
190.52451	2.9
193.03468	9.2
195.01320	3.0
195.05020	3.4
196.99284	6.4
197.02988	9.5
197.04659	2.8
198.98497	3.1
199.00963	3.7
199.02721	6.8
199.04440	3.4
199.98682	7.2
201.02470	10.2
201.06143	3.0
202.02220	10.2
203.04097	6.9
205.01930	8.5
206.02107	4.1
207.03461	4.0
211.02687	30.0
211.04555	15.2
211.52711	3.6
213.02388	6.4
215.00311	26.5
215.03960	4.3
217.01857	3.4
219.03467	9.6
220.03224	30.3
220.05049	2.5
220.06841	4.5
220.53349	5.8
221.05051	6.8
222.03242	3.4
224.03212	3.5
227.00433	4.5
229.01921	7.5
229.03787	6.5
233.01404	12.9
234.93385	3.2
235.98618	3.2
247.02963	24.2
251.02480	11.2
252.02707	3.7
254.02632	2.7
255.03647	2.8
256.00266	6.4
256.03339	3.4
257.01483	7.5
265.03967	4.7
273.00803	5.5
274.01270	4.5
275.02609	6.7
275.06094	12.5
277.03067	4.3
284.00830	8.9
293.03555	7.8
295.08835	4.1
295.38788	2.6
298.08472	3.9
301.04056	6.0
302.00620	3.3
316.03198	9.1
316.08945	4.8
317.03470	3.7
317.06927	3.3
329.03595	5.0
333.03113	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01870	13.7
55.05511	24.6
57.03435	18.7
59.04991	4.3
59.68199	2.1
61.02908	5.5
67.05492	10.1
69.03429	26.4
69.07079	14.5
70.54356	8.5
71.01352	7.6
71.04659	3.1
71.04997	32.3
71.36486	2.4
71.93903	2.0
73.02924	11.3
79.01871	5.5
79.05494	13.5
81.03423	12.4
81.07055	19.0
83.04968	4.4
83.08597	5.1
85.02909	37.2
87.04476	3.7
88.33953	2.1
91.05486	24.2
93.07054	26.3
95.04961	10.5
95.08614	14.5
97.02901	20.8
97.06541	5.6
103.03947	8.6
105.07038	36.0
107.04958	5.4
107.08607	32.0
109.02897	5.5
109.06502	24.0
109.10158	19.3
111.04468	4.1
111.08091	4.7
115.03909	8.8
115.05481	3.1
117.07001	9.8
119.08598	33.8
121.06506	7.1
121.10128	6.2
123.04420	3.2
123.08083	13.9
124.07615	2.1
125.02365	2.5
125.05985	2.4
127.03907	8.9
127.11211	5.2
129.05498	4.7
129.07019	6.9
130.07777	3.9
131.04970	3.5
131.08562	18.6
133.04994	16.0
133.06491	6.3
133.10106	6.0
135.04474	3.0
135.08006	5.9
135.11723	13.6
137.05943	8.6
137.09604	6.4
143.03369	4.9
143.08537	8.8
145.06509	3.5
145.10143	15.5
147.08087	14.9
147.11694	7.1
149.09631	5.9
151.07545	4.0
151.11192	8.6
153.01833	100.0
153.02911	4.2
153.12781	10.9
155.08577	4.8
156.09372	2.5
158.07271	2.7
159.08069	6.6
159.11678	8.6
161.09608	4.5
161.13263	3.2
163.07481	3.6
163.11168	8.6
165.07027	3.1
165.12758	46.3
171.08035	3.5
173.09584	13.8
173.13235	4.9
175.07487	3.6
175.11179	3.4
177.12776	11.3
181.06529	2.6
185.13266	2.8
189.12753	7.8
191.10614	5.2
193.08537	3.1
195.08025	3.0
195.13814	4.0
201.12726	3.5
207.13748	4.7
219.13786	4.6
231.13867	2.8
240.07855	2.2
243.14020	4.9
255.10147	2.9
261.14896	7.6
269.08310	3.0
279.15823	9.4
283.09760	7.5
297.11249	2.9
297.17001	6.8
315.05014	2.9
315.08438	5.2
315.13785	7.1
315.17889	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03939	5.1
55.01881	11.0
55.02109	2.2
55.05516	14.2
57.03440	9.1
59.04994	2.7
61.02930	8.4
67.05505	7.1
69.03434	23.2
69.07072	9.1
71.01363	3.7
71.04999	23.1
72.59251	1.6
73.02912	10.3
79.01851	4.6
79.05508	11.2
81.03430	11.2
81.07070	15.2
83.04982	4.1
83.08643	1.7
85.02912	29.4
87.04517	3.1
91.05486	18.2
93.07056	20.7
93.80300	1.7
95.05000	8.6
95.08639	9.6
95.77216	1.6
97.02901	15.3
97.06531	2.7
99.04476	2.1
103.03938	5.5
103.05483	2.2
105.04591	2.0
105.07047	29.9
107.04952	4.1
107.08607	30.0
109.02862	4.9
109.06519	17.6
109.10164	16.5
111.04442	3.4
111.08094	4.5
115.03935	7.7
115.05467	3.4
116.06236	1.8
117.07050	9.3
117.84311	1.5
119.08582	26.4
119.09377	2.1
121.06525	5.9
121.10152	5.8
123.04459	2.7
123.08070	8.8
123.11736	1.6
125.02350	3.1
126.45322	1.5
127.03942	7.8
127.11162	3.8
128.06241	2.7
129.05501	3.4
129.06996	3.3
131.04979	2.9
131.08574	13.2
133.04091	2.4
133.04977	14.7
133.06526	4.9
133.10156	4.5
135.04468	3.4
135.08063	4.6
135.11697	7.1
137.06038	8.2
137.09628	4.8
139.11198	1.9
143.03403	5.5
143.08582	6.9
145.10156	13.5
147.08081	13.2
147.11684	5.7
149.09662	6.2
149.13373	2.4
151.07588	3.7
151.11176	5.3
153.01845	100.0
153.02910	4.9
153.12723	5.0
155.08556	4.4
159.08060	5.8
159.11700	6.0
161.09631	3.6
161.13358	2.0
163.03941	2.2
163.07487	4.1
163.11192	7.2
165.07053	2.0
165.09143	2.2
165.12782	39.8
170.58803	1.7
171.02963	2.4
171.08064	2.7
171.11731	2.7
173.09676	10.8
173.13255	3.6
175.07587	3.0
175.11185	2.2
177.12791	11.7
183.08002	2.3
187.11166	1.7
189.09059	1.8
189.12773	5.8
191.10672	3.8
193.06575	2.7
194.07339	2.0
195.08174	2.5
195.12001	1.6
195.13820	4.5
201.12657	1.9
207.13850	2.6
219.13814	7.1
231.13832	3.9
243.13846	5.9
245.04483	2.4
249.14842	2.0
261.14972	5.7
265.08597	2.4
269.08182	3.4
279.16003	4.0
283.09756	7.2
284.10284	1.9
297.06189	1.9
297.11194	2.9
297.16904	2.2
315.04910	2.2
315.08554	5.8
315.12357	5.6
315.17966	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.9
55.05513	15.8
57.03431	22.2
61.02914	7.9
63.34692	4.4
67.05508	28.4
69.03429	43.4
69.07070	14.6
69.29086	44.3
69.29419	8.9
71.04978	12.5
73.02911	10.8
79.05486	27.2
79.28937	5.1
80.15848	5.2
81.03419	36.4
81.07061	51.5
83.05004	12.1
85.02913	100.0
87.04428	7.2
91.05474	36.4
93.07043	83.3
95.04960	21.4
95.08612	36.9
97.02888	36.1
97.06503	10.0
99.04458	13.8
103.03973	11.6
105.07041	39.7
107.04957	10.3
107.08596	94.7
109.02876	16.1
109.06520	20.6
109.10155	16.3
111.04449	8.7
115.05475	6.6
117.07014	15.0
119.08591	51.5
121.06513	12.5
121.10143	24.7
123.04438	19.3
123.08127	10.1
123.11706	5.8
125.02307	12.7
125.13300	6.8
127.03876	23.4
129.05522	6.8
129.07004	6.4
131.04915	14.4
131.08566	16.4
133.06494	9.0
133.10143	17.9
135.04376	13.9
135.08049	7.3
135.11697	67.7
137.05968	19.4
137.09610	9.4
139.07610	5.2
141.05421	7.7
142.06441	5.4
143.03340	6.2
143.08545	10.8
144.08081	20.1
145.04944	7.0
145.06512	13.8
145.08394	10.2
145.10141	18.8
146.03661	12.3
147.08064	8.7
147.11691	18.5
149.09627	5.8
149.13289	8.0
151.07574	9.9
151.11163	9.8
153.01840	74.2
153.02985	10.5
153.05440	13.5
153.06984	7.4
153.12741	32.0
157.10138	15.4
159.06488	5.7
159.11691	23.1
161.05991	30.9
161.13260	9.2
163.03886	6.8
163.11205	10.5
165.07013	13.3
165.12762	33.6
167.07092	8.7
169.07574	7.4
171.11818	7.5
173.09673	7.3
175.07507	9.1
175.11124	7.7
177.12779	9.8
181.06512	9.2
181.12254	8.6
189.12807	10.0
191.07062	7.5
193.06526	5.0
193.12251	8.1
194.07352	6.9
195.02893	35.6
195.08084	23.8
197.06026	9.2
201.12782	8.5
207.13873	5.0
208.05121	6.8
213.10208	5.3
219.01323	5.6
219.13776	13.9
221.06009	7.1
222.06859	12.2
223.07539	22.1
225.05595	6.4
231.13766	15.5
236.04564	6.2
237.09123	17.2
240.04236	5.7
240.07805	11.7
243.13837	14.0
245.04492	11.7
247.93440	5.9
249.15059	6.2
251.06929	10.8
255.10147	30.7
259.10760	9.7
261.14838	28.4
265.08679	13.4
269.08017	10.4
273.03952	10.6
279.15955	21.5
283.09671	78.5
284.10272	10.2
297.11420	7.3
297.16977	15.2
315.05139	63.6
315.08682	13.8
315.12299	68.7
315.18210	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1754
Annotation	Laurifine
Peak:m/z	Relative Intensity
53.03965	1.1
69.52232	4.2
69.52666	2.0
77.79137	0.9
91.05488	12.4
93.07047	3.0
97.02850	0.8
103.05477	26.1
104.06231	1.0
105.07050	2.6
108.08134	3.1
109.08461	1.8
110.09629	0.9
111.80668	0.8
117.07005	2.9
120.08125	11.6
121.06523	100.0
122.06875	1.0
131.04948	12.7
131.06892	1.0
135.08075	8.0
144.08109	15.8
144.09218	1.3
145.08463	14.5
152.10693	3.8
160.07697	0.9
163.07545	2.4
170.09576	0.9
235.13237	1.6
252.15800	1.2
278.17349	1.7
282.14969	5.6
282.17599	0.9
283.10019	0.9
296.18436	11.4
314.11511	2.4
314.17236	97.0
315.11969	1.8
315.17767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1128
Annotation	Pyraclonil
Peak:m/z	Relative Intensity
55.05506	0.5
65.03947	0.3
66.18314	0.2
67.05500	1.0
69.03403	0.2
69.07053	0.4
71.04945	0.2
71.49236	0.3
77.00319	0.2
79.05480	0.6
81.03436	0.3
81.07043	0.8
83.04992	0.2
89.03925	0.4
91.05478	0.8
93.07040	0.7
95.04989	0.3
95.08589	0.4
97.07656	0.2
97.16705	0.2
98.97574	0.3
103.05460	0.5
105.07009	0.4
107.08590	0.6
109.02871	0.2
109.10136	0.6
110.85987	0.2
115.05445	0.6
116.04960	0.8
117.07066	0.2
119.08571	0.3
121.10126	0.3
126.51001	0.2
130.06554	0.3
131.04938	0.4
131.08574	0.5
133.10121	0.2
134.32942	0.2
135.08076	0.2
135.11623	0.3
137.05942	0.4
137.78645	0.2
142.06488	0.5
144.04456	0.3
144.08095	0.2
145.02873	1.1
145.10155	0.2
147.04395	0.3
153.01834	0.6
153.03127	0.2
163.03934	0.3
163.07539	0.3
165.06975	0.2
167.08623	0.2
172.03926	0.9
195.08035	0.2
195.11696	0.2
217.08858	0.3
219.17433	0.2
223.07590	0.3
241.08757	0.4
242.09692	0.3
243.06706	0.3
243.09102	2.3
244.09840	0.8
246.23398	0.2
247.08568	0.2
257.10727	0.4
257.13718	0.2
258.11682	0.2
259.08698	0.3
259.12491	0.3
268.10031	0.4
269.08228	0.2
269.10803	0.4
271.08624	3.5
272.09332	1.3
283.09589	0.6
285.10178	1.3
287.12051	0.5
289.09744	0.3
297.10428	0.4
298.08383	0.2
299.08124	0.7
300.08917	10.3
301.09302	0.3
313.09674	1.9
314.10403	1.0
315.11261	100.0
316.11630	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	314.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05457	0.9
56.45498	1.0
56.62120	0.9
56.96558	4.3
58.69024	0.9
59.94576	1.0
61.02921	1.2
65.83671	1.0
69.03423	3.4
70.06578	2.6
70.33432	4.2
71.04985	2.1
73.02909	1.1
79.05482	1.9
81.03416	3.8
84.04504	1.3
85.02887	5.2
89.03906	1.5
89.06025	4.9
91.05482	2.2
95.04971	1.3
95.06094	1.1
97.02888	16.0
98.97596	1.9
99.04465	1.5
107.04937	2.4
108.08105	3.6
110.06026	1.1
116.98531	1.0
117.03380	2.4
120.08115	38.2
124.03996	1.4
124.07580	1.8
124.99134	2.9
127.03953	1.6
130.06540	1.1
131.04875	1.1
134.09671	1.5
135.04451	5.2
135.06560	2.9
136.06197	32.9
136.07623	2.4
143.00162	4.5
144.08119	2.3
145.02879	3.3
146.09633	4.5
152.07103	3.0
152.10710	59.5
162.09167	1.5
163.03923	22.0
164.04254	2.7
164.05652	2.1
166.05052	1.5
168.06625	1.2
170.99532	1.4
185.01256	1.5
185.02835	1.3
190.08646	100.0
191.08972	2.0
191.45593	1.4
216.12314	3.0
218.08124	1.4
221.03024	1.6
231.01804	1.9
236.09143	3.6
236.12845	3.9
238.10869	1.3
249.02837	3.1
250.10776	37.3
254.13905	2.5
255.40445	1.1
282.09573	1.2
295.72797	1.2
314.09323	8.9
314.12418	6.6
314.15900	20.3
315.10480	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	314.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24299	0.7
53.25667	0.8
56.96560	1.5
70.06577	0.9
71.04975	1.0
71.48578	1.3
79.05505	0.8
79.96091	0.7
85.02895	1.0
89.03885	0.7
89.06046	4.1
91.92426	0.8
93.07029	1.2
97.02900	7.2
99.04456	0.9
105.07020	0.9
106.06553	1.4
107.04943	0.9
108.08105	1.9
120.08099	12.5
121.06554	0.8
122.06050	0.7
134.06085	1.0
134.09627	1.1
134.27232	0.7
135.04387	1.7
135.06500	1.8
136.06197	10.7
136.07303	0.9
136.07649	0.7
144.08072	2.3
146.09676	4.6
152.07088	1.1
152.10704	11.4
153.01854	1.6
163.03906	6.1
164.05638	1.1
166.04898	0.9
180.06514	1.1
190.08636	100.0
191.08859	0.9
194.08153	0.9
231.01613	0.7
236.09094	0.9
236.12852	1.6
249.02795	1.0
250.10765	36.7
251.11119	0.8
254.13811	0.8
282.09976	0.9
314.09305	6.4
314.12521	2.6
314.16071	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.5
57.03444	22.3
57.07081	68.1
62.08779	1.0
67.05510	12.7
69.07076	11.6
71.08638	45.7
79.05470	0.8
81.07060	19.0
82.98651	0.9
83.08625	11.3
85.06539	1.0
85.10190	22.9
89.06030	3.8
95.08613	24.6
97.06555	0.9
97.10173	7.6
99.11728	2.2
103.07549	2.4
109.10163	13.2
111.11704	2.0
123.11734	5.1
137.13249	1.9
160.07602	1.1
168.62466	0.9
229.26669	1.1
239.23676	5.1
257.24741	6.8
263.11264	0.9
298.27515	1.5
313.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93948	0.4
52.72502	0.4
53.03945	0.5
54.13137	0.4
54.59956	0.3
55.05514	0.5
56.96559	1.2
57.03421	0.4
61.01146	0.7
61.02910	0.8
65.03923	0.4
67.05501	1.1
69.03440	3.2
70.06598	0.8
71.04983	0.7
73.02909	0.7
79.05473	0.9
81.03411	1.6
83.04984	0.6
84.04490	1.6
85.02904	2.4
87.04463	0.6
89.03920	1.6
89.06022	1.0
95.04961	0.5
97.02898	47.3
97.06533	0.4
98.97602	0.9
99.04415	0.6
106.06577	2.2
106.07169	0.4
107.04959	3.0
108.08120	13.3
113.02415	0.4
117.03398	1.3
119.01855	0.5
119.03560	0.6
120.08118	2.9
121.06488	0.8
122.06025	0.8
123.04445	0.6
123.06829	0.9
124.07600	4.1
124.99133	0.8
130.05045	1.0
133.02995	0.5
134.06013	1.4
134.09657	1.0
135.04437	2.1
135.05331	0.4
135.06575	0.5
136.06192	100.0
136.07465	3.3
137.04669	0.4
143.00308	0.8
143.01715	3.4
145.02814	0.9
148.06187	1.1
152.05859	0.8
152.07068	8.3
152.10696	4.6
153.01671	0.8
154.08636	0.7
161.02766	1.9
162.07887	0.5
162.09157	1.4
163.03914	9.7
164.04358	1.0
164.05684	5.7
164.07013	0.8
167.07117	0.8
178.07251	3.2
179.03676	2.2
190.08684	0.9
192.33540	0.4
194.11885	0.6
208.09784	0.6
221.03011	0.8
221.05025	0.6
222.03250	1.3
222.11226	0.9
226.00220	1.3
236.09230	1.9
248.07803	0.9
249.02943	0.6
250.09354	0.6
250.94933	0.5
278.07187	0.6
279.58347	0.4
296.08160	3.2
296.11209	0.8
314.01993	0.5
314.09116	9.7
314.12411	14.6
314.15939	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59692	0.7
51.23718	0.7
55.05515	9.4
57.03162	0.8
57.03445	21.2
57.07082	68.0
65.51053	0.8
67.05515	12.1
69.07076	11.8
69.23004	7.1
71.04971	1.0
71.08640	42.8
75.04493	0.8
79.05514	1.3
81.07068	15.9
83.08625	13.0
85.10192	25.5
89.06051	4.7
93.07054	0.8
95.08617	25.8
97.06509	0.9
97.10181	6.8
99.11777	1.7
103.07587	2.3
109.10172	11.9
111.11732	2.1
117.09135	1.2
123.11703	3.5
125.13284	1.4
137.13319	1.5
137.90288	0.7
151.14839	0.9
239.23589	4.4
257.24774	7.1
313.27402	100.0
314.27704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75319	0.7
55.05518	6.1
57.03444	22.1
57.07082	65.6
64.31846	0.7
67.05511	13.4
67.73801	0.8
69.07076	12.5
70.15052	1.5
70.15462	2.4
71.08641	46.4
75.04491	1.0
79.05486	1.7
81.07069	16.9
83.05006	0.8
83.08623	13.4
85.06544	1.4
85.10192	19.7
89.06040	4.4
93.07076	1.4
95.08620	24.1
97.10182	7.3
99.11736	2.1
103.07591	3.1
109.10173	12.6
117.09110	1.2
123.11732	5.2
137.13286	2.0
239.23741	4.3
257.24759	8.5
312.30692	0.8
313.27411	100.0
314.27847	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.0
57.03441	26.0
57.07080	74.2
65.44997	0.8
67.05511	13.7
69.07072	11.7
70.07676	3.9
71.04967	1.0
71.08636	45.0
75.04488	1.0
79.05484	2.0
81.07061	18.4
83.04990	1.1
83.08625	14.3
85.06535	1.2
85.09666	1.5
85.10184	28.6
89.06022	3.0
91.05482	1.6
93.07031	2.3
94.94350	0.7
95.08614	28.7
97.10178	5.9
99.11760	1.8
103.07597	2.9
105.06989	0.9
109.09489	1.0
109.10174	14.1
111.11729	2.0
117.09116	1.1
121.06511	2.6
123.11732	5.2
125.13274	1.1
137.13251	2.0
137.56612	0.9
149.05994	3.3
160.07635	1.7
164.09474	0.8
195.71117	0.9
221.22806	0.8
239.23695	4.1
257.24753	8.1
311.02316	0.9
313.27390	100.0
313.32675	9.9
314.27762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
53.27058	0.6
55.05515	9.8
57.03441	21.4
57.07081	65.8
62.66568	0.6
67.05511	10.8
69.07078	8.6
70.15121	0.6
70.61598	1.0
70.61964	1.4
71.08637	41.9
75.04470	0.7
75.19781	0.6
79.05499	1.3
81.06589	1.1
81.07060	17.0
83.04961	0.8
83.08626	13.2
83.87177	0.7
85.10188	22.9
89.06039	3.3
93.07045	1.3
95.08615	23.5
97.06552	0.8
97.10172	7.2
99.08124	0.9
99.11725	1.5
103.07577	2.9
109.10159	10.8
113.13228	0.8
116.49986	0.7
117.09115	0.6
121.10100	0.7
123.11713	5.1
125.13304	1.1
137.13283	3.6
151.14847	0.8
221.22740	0.9
229.87906	0.7
236.28673	0.7
239.23709	4.1
257.24765	7.9
313.27390	100.0
314.27640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82835	0.6
53.14620	0.6
53.27232	0.6
55.36806	0.6
69.65697	3.7
79.05502	0.9
81.07069	1.0
82.10714	0.6
91.05486	1.8
93.07053	1.7
97.05854	0.8
98.20762	0.9
103.05506	0.7
106.06580	1.7
107.08608	1.1
108.08134	13.3
109.06540	2.5
110.09656	2.3
113.26135	0.6
117.05733	0.6
117.07036	4.1
119.08657	0.6
120.08127	2.0
122.09673	1.5
129.07019	0.8
130.06563	4.6
132.08154	1.2
136.31427	0.7
138.09158	1.7
143.07310	2.7
144.08102	100.0
145.06479	0.7
145.08427	1.2
146.09683	1.2
152.10732	4.0
155.06058	0.7
156.08113	1.3
158.09663	2.0
164.10742	1.2
167.07330	0.8
168.08099	2.1
168.39259	0.6
170.09677	2.0
170.11789	5.0
180.08115	1.6
182.09708	3.3
182.11749	4.5
192.07858	0.8
193.08922	0.8
194.09691	2.3
196.11205	1.0
198.43509	0.5
204.08154	1.0
205.08932	0.9
206.09656	1.6
207.10387	1.0
208.11220	2.7
218.09677	1.4
219.10471	2.1
220.11224	1.5
222.12871	3.0
224.14557	0.8
231.10489	0.9
232.11298	0.9
234.12775	6.2
235.13524	2.0
236.14430	1.2
246.12759	0.7
248.14360	1.7
251.15456	6.7
252.13817	1.6
260.14404	0.9
266.15408	1.1
277.16989	3.8
278.15350	2.9
295.18100	23.1
313.19131	84.4
314.19495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1911
Annotation	Stapfinine
Peak:m/z	Relative Intensity
51.15435	0.6
52.71484	0.5
55.20937	0.5
55.96470	0.5
56.47087	0.5
65.03927	0.8
70.80624	1.3
79.05496	1.4
80.05019	0.5
81.07063	1.4
82.06554	1.0
89.16962	0.5
91.05489	7.5
93.07049	1.6
95.04945	1.4
96.08163	0.7
97.20079	0.5
103.05446	0.8
105.07036	0.8
106.06591	0.7
107.04943	1.0
107.08623	1.3
108.07439	1.1
108.08120	14.8
109.06518	2.9
110.09727	2.7
114.36408	0.6
115.05436	0.6
117.07026	4.0
118.06551	0.8
119.04950	4.3
119.08609	0.6
120.08044	0.7
122.03635	1.1
122.09673	1.3
124.43783	0.6
128.06244	1.7
129.07007	4.1
130.06528	4.3
132.08055	1.6
134.09616	0.9
136.05176	0.7
137.05994	10.2
138.09152	2.1
143.07315	2.5
144.08089	100.0
145.08438	1.1
146.09593	1.5
151.07550	16.8
152.10732	4.2
155.06125	1.1
155.07289	1.0
156.08090	2.1
157.06483	2.3
158.09660	2.2
159.09131	0.7
164.10745	2.2
167.07384	0.7
168.08084	1.9
169.08890	0.7
170.09598	2.9
170.11781	4.8
172.11209	0.9
174.06778	2.2
175.07533	1.1
180.08122	2.5
181.08853	0.7
182.09924	2.6
182.11684	5.1
184.11195	0.6
186.09134	0.6
189.09116	8.9
193.08798	0.8
193.10304	0.7
194.09706	2.7
196.11246	0.6
204.08217	0.8
205.08842	1.2
206.09700	2.1
208.11176	2.6
209.11990	0.7
210.06679	0.6
210.12839	0.7
217.08852	0.8
218.09695	1.5
219.10457	2.1
220.11281	1.4
221.09540	1.1
222.12834	2.0
231.10295	0.5
232.11282	0.8
234.12804	5.0
235.13524	2.1
236.14378	1.5
246.12732	0.7
248.14494	0.7
249.09142	1.9
250.15677	0.6
251.15477	7.4
252.13724	1.3
253.12181	1.2
256.42908	0.7
256.83646	0.7
260.14291	0.9
266.15375	1.8
269.08096	0.7
277.16977	4.2
278.15387	4.0
281.11810	0.7
286.53284	0.5
295.18057	24.9
313.11066	1.8
313.14685	3.7
313.19107	84.8
314.19449	1.6
321.10883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03433	5.8
61.02927	10.1
61.24596	2.1
62.93903	2.0
69.03432	23.3
69.07086	10.0
70.87933	5.9
73.02940	3.2
81.03417	8.7
85.02910	100.0
87.04479	2.9
87.08100	14.2
91.03965	5.4
97.02897	20.9
99.04449	4.7
109.02901	6.5
120.08106	4.7
127.03926	27.1
132.08104	2.8
133.08617	4.9
144.08125	3.8
145.04968	52.0
146.09654	6.3
149.28294	2.0
160.07582	3.0
163.06035	9.3
174.83678	2.2
190.08664	59.9
190.12254	5.2
191.13045	10.5
201.21019	2.8
222.11275	69.2
251.07022	2.4
312.12585	13.1
312.17850	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	313.071
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01873	2.2
66.48829	0.8
69.28116	4.1
69.28532	3.1
75.42731	0.8
81.03416	3.4
85.36507	0.8
91.05474	1.3
109.02893	3.8
109.06504	1.1
111.04412	0.9
118.06469	1.0
124.03960	0.9
129.07089	0.8
131.04926	3.6
132.08109	1.3
151.03894	1.2
152.06261	2.4
153.06992	1.9
154.12213	1.4
159.04443	3.6
160.05217	25.8
160.07532	9.4
161.05949	3.5
161.69940	0.9
163.03972	1.0
165.07054	4.9
166.12453	1.1
167.08546	5.0
176.06189	5.0
177.07007	14.1
178.07791	1.5
181.06508	19.6
193.06461	1.6
195.08093	10.1
197.05969	2.8
199.07574	3.5
205.06499	45.6
221.06004	32.0
222.06769	1.0
223.07562	99.6
224.07910	1.3
233.06003	18.8
234.06796	5.5
237.05568	0.9
239.07062	1.5
241.08546	1.5
249.05498	22.2
250.06261	2.8
251.07059	100.0
252.07587	1.6
267.06598	1.4
268.07248	1.0
269.08109	63.3
277.04965	12.3
295.06033	61.8
295.09467	1.8
295.18045	1.2
296.05902	0.9
313.03549	1.7
313.06989	8.3
313.19101	10.3
314.06323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41147	0.6
52.83189	0.6
56.96548	1.3
63.63949	0.6
63.72643	0.8
70.51189	1.5
70.51540	1.2
81.03392	2.0
98.20811	0.8
101.00898	1.1
107.04935	2.2
111.04417	1.3
120.08164	1.0
124.99119	1.9
133.16237	0.6
135.04420	0.8
136.06186	1.3
139.03888	1.1
143.00177	2.0
143.01886	1.8
151.03801	0.9
157.25743	0.7
160.05211	0.8
161.03008	1.5
163.03940	3.4
184.92278	0.8
190.08618	4.3
193.03345	0.9
203.05270	3.0
205.06493	1.1
207.05069	0.8
216.75862	0.7
223.07556	2.3
233.06052	0.7
239.11147	0.9
249.02876	1.8
250.10677	1.1
251.07088	1.6
267.03922	1.5
269.08170	1.4
272.04517	1.1
285.04929	1.4
295.06036	1.1
313.08939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.31589	1.0
53.03943	1.8
55.01870	2.3
55.05514	60.1
55.75899	0.8
57.03442	27.6
57.06798	1.5
57.07077	27.3
57.73345	0.8
67.05505	8.8
68.42626	0.8
69.07070	58.9
69.24041	8.5
71.04984	1.1
71.08635	18.3
73.02902	1.3
79.05491	7.0
81.07055	12.6
83.04988	2.2
83.08622	60.4
85.10177	5.5
91.05482	0.9
93.07053	7.9
95.08620	8.2
97.06526	5.8
97.10175	46.5
107.08595	4.8
109.10158	4.8
109.90296	0.9
111.08078	2.7
111.11728	13.3
121.10149	9.5
123.11702	1.2
125.09617	2.3
125.13238	3.8
135.11670	5.9
137.13248	1.5
139.11148	1.0
149.13303	2.3
157.80487	0.9
163.14894	1.2
177.16440	1.2
219.21169	1.9
237.22215	1.6
311.25812	100.0
312.26004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.8
54.31075	2.5
55.01862	4.2
55.05517	28.5
57.03436	4.7
57.07065	6.8
65.03934	3.3
67.05517	36.8
69.07072	59.4
69.15643	18.4
69.16068	9.0
71.05000	4.8
74.78732	2.6
77.03898	3.5
79.05508	29.5
79.52471	2.4
81.03415	5.9
81.07059	45.4
83.08629	14.6
83.47936	2.6
91.05488	46.7
93.07052	100.0
95.04978	52.6
95.08616	85.3
97.06549	26.1
97.10153	4.0
98.20744	6.0
105.07044	71.7
107.08593	59.1
109.06557	13.6
109.10168	39.1
111.04414	3.1
111.11732	3.0
111.53560	2.4
115.05459	5.9
117.07014	17.3
119.08596	70.4
121.06522	18.6
121.10153	51.7
121.10931	1.6
123.08059	19.3
123.11718	20.1
128.06224	4.8
129.07008	5.5
130.07805	4.8
131.08571	22.8
133.10138	39.2
135.04439	3.7
135.08092	10.8
135.11690	15.0
137.09610	7.8
137.13242	4.2
141.80324	2.5
142.07787	7.4
143.08578	15.4
144.09372	4.2
145.10136	39.0
146.25552	2.6
147.11688	24.0
149.09599	6.4
149.13274	5.8
155.08537	5.1
156.09288	5.6
157.10132	28.1
159.11703	49.7
161.09682	12.1
161.13239	12.9
163.11230	7.8
163.14903	4.6
167.08577	4.2
169.10127	13.8
171.11665	14.2
173.09584	3.7
173.13283	11.6
175.14839	12.3
177.16412	17.5
181.10129	7.3
182.10982	2.6
182.38235	2.7
182.39908	2.5
183.11696	10.0
185.13222	14.1
187.11220	6.8
187.14798	6.0
189.16354	13.6
195.11681	7.1
197.13260	10.0
199.14871	6.4
201.16440	10.3
203.17929	6.2
209.11687	8.7
209.13399	4.8
211.14854	7.0
213.16438	5.0
215.17998	10.6
219.17407	4.4
223.14838	9.6
227.18036	2.8
237.11253	7.2
255.21185	3.5
267.21140	4.5
281.19043	3.4
285.23578	2.4
293.22607	7.4
311.17056	6.1
311.23611	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43814	3.5
55.01867	11.4
55.05507	27.6
55.69463	3.3
57.03420	7.6
57.07090	4.7
65.03938	4.4
67.05508	66.7
69.03420	8.1
69.07081	23.3
69.41515	27.0
71.05004	6.5
71.08645	4.4
79.05498	32.7
81.03384	7.2
81.07059	68.0
83.04996	9.7
83.08604	17.0
85.06530	5.5
91.05487	38.5
93.07046	46.7
95.04957	16.2
95.08600	37.4
97.06509	12.7
97.10184	16.6
99.08117	5.4
105.07027	30.8
105.37157	4.2
107.04946	16.8
107.08590	28.9
109.02856	3.6
109.06524	24.7
109.10162	25.8
116.48191	3.2
117.07012	14.8
119.08603	31.4
121.06504	12.1
121.10117	20.8
123.08051	6.3
123.94244	3.8
125.09620	12.9
125.17793	3.5
129.07008	9.5
131.08548	16.1
133.02895	7.2
133.10118	20.8
135.08061	8.9
135.11685	10.6
137.05969	16.5
137.09637	6.3
143.08572	5.5
144.08090	11.0
145.10132	15.3
147.11702	11.8
149.05981	5.6
149.09634	10.4
149.13260	7.6
151.11195	6.1
157.10164	7.3
159.11673	12.8
161.13287	5.7
163.11171	8.0
170.09642	7.3
171.11699	7.1
173.11778	8.3
173.13274	7.6
175.11095	4.9
187.07521	9.0
189.11218	6.5
191.08452	4.2
199.03787	6.2
201.05447	5.5
213.05351	4.5
213.16135	3.7
216.13896	4.1
219.08037	12.5
221.10803	6.3
223.12296	5.3
230.17348	3.9
239.17903	4.9
247.07581	5.4
249.13930	24.3
251.10670	15.6
251.15401	11.6
257.19119	7.6
264.08090	3.9
267.14798	4.6
275.20102	56.6
279.10141	13.8
293.16437	25.9
293.21152	16.2
311.05551	5.8
311.09439	6.9
311.12799	30.9
311.17459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03948	10.9
55.01885	29.8
55.02098	5.7
55.05511	56.8
57.03441	13.4
57.07064	14.2
65.25532	5.5
67.05509	65.7
69.03428	16.3
69.07062	39.2
69.83479	8.7
69.83765	31.7
71.04994	14.9
71.08633	36.3
71.60235	5.1
79.05495	63.6
81.03427	16.1
81.07055	96.3
82.07375	7.3
83.04981	26.6
83.08630	29.3
85.02898	10.9
91.05482	46.4
93.07058	58.3
95.04956	25.7
95.08612	44.4
97.06544	33.0
97.10181	16.5
99.08097	30.0
105.07046	35.2
107.04973	21.7
107.08609	53.5
109.06519	27.6
109.10181	31.2
110.93038	6.2
111.04514	7.1
111.08112	13.4
117.07021	15.0
119.08572	25.7
121.06544	15.1
121.10153	29.8
123.08060	17.2
125.09623	32.6
129.07027	6.8
131.08569	31.4
133.10144	27.2
135.08047	12.3
135.11690	18.8
137.06023	10.0
139.11246	7.9
141.07051	5.7
144.08075	16.0
145.10149	32.5
147.11671	19.8
149.09596	31.1
149.13246	10.5
151.11162	11.1
157.10118	15.9
159.11690	18.8
160.07541	8.4
161.13255	11.0
162.46272	5.9
163.11176	35.4
165.12758	6.8
169.10147	12.2
170.09660	7.8
171.11649	7.7
173.13228	6.6
175.11218	13.0
177.12762	19.9
181.12193	7.0
189.11244	7.4
195.13757	6.6
249.13831	19.5
251.15450	11.6
257.19040	14.6
275.20145	63.6
279.10001	8.5
280.75674	6.5
293.16382	29.1
293.21222	56.5
311.05365	7.0
311.12833	22.0
311.17386	100.0
311.23074	7.8
325.50793	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03940	4.5
55.01873	10.3
55.05517	30.5
57.03429	7.5
57.07079	31.8
59.26548	3.5
60.76212	3.8
67.05505	43.3
69.07073	37.6
71.08624	5.9
79.05492	32.9
81.03410	7.6
81.07056	58.5
82.07390	3.5
83.04984	17.5
83.08626	20.3
85.06560	6.3
88.07623	4.3
91.05476	28.9
93.07056	35.8
93.21677	3.6
94.75089	3.3
95.04957	18.6
95.08611	36.6
97.06525	14.1
97.10169	6.9
105.07038	31.6
107.04949	10.0
107.08604	30.2
109.02892	6.9
109.06508	12.2
109.10159	20.9
111.04463	21.0
111.08092	7.9
116.20817	3.6
117.07022	8.7
119.08594	26.1
121.06492	8.6
121.10168	20.7
123.08103	8.9
123.11723	6.4
125.05985	10.0
125.09642	7.6
131.08574	11.3
133.10117	17.5
135.04420	4.8
135.11684	11.4
137.09647	8.2
143.08559	5.1
145.10133	20.0
146.10312	3.6
146.11508	3.8
147.11699	15.7
149.02316	8.8
149.09616	15.5
149.13202	4.5
151.11177	7.0
153.05473	17.0
159.11732	8.4
163.11171	18.8
165.79179	3.6
173.09770	5.7
173.13315	6.0
177.12741	4.6
181.04961	7.7
181.12187	10.0
189.11288	4.0
191.10672	17.3
193.05003	15.7
196.62622	6.0
209.11720	100.0
223.13303	11.0
224.65685	7.6
237.11212	66.3
255.12230	8.6
257.19031	8.4
275.20071	63.1
293.17633	6.2
293.20587	25.3
296.11145	4.0
311.13120	3.9
311.17514	14.4
311.24576	38.9
320.88995	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	311.2219
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	4.2
55.01874	15.0
55.05516	76.0
57.03429	4.2
57.53852	2.4
67.05511	30.7
69.03430	8.1
69.07069	18.5
70.72541	4.8
71.04992	3.1
71.08640	21.8
73.36805	2.8
79.05494	33.3
81.03431	22.9
81.07064	46.1
83.04993	25.9
83.08160	3.4
83.08627	46.3
85.06538	2.7
91.05494	20.9
93.07064	21.4
95.04987	35.9
95.08620	13.4
97.06541	7.0
97.10179	35.2
97.59736	2.5
99.08094	19.5
105.07050	15.3
107.04956	8.9
107.08608	24.7
109.06528	6.2
109.10162	11.6
111.04453	10.3
111.08076	9.6
117.07016	6.8
119.08588	14.5
121.06568	2.7
121.10171	10.5
123.08109	2.3
125.09637	24.8
129.06995	5.3
131.08621	13.5
133.10139	6.6
135.08089	4.8
135.11679	14.1
139.11188	3.2
145.10158	10.1
147.11717	5.8
149.09636	11.3
153.09143	5.3
153.12761	5.1
157.10153	5.5
159.11664	5.1
163.09903	2.9
163.11198	51.7
165.12793	2.7
167.10701	5.1
173.13255	2.4
175.11200	5.0
177.12773	7.0
181.12280	3.1
189.11237	10.8
190.43982	2.7
193.12239	15.0
195.13789	18.8
211.13382	14.3
223.13341	11.3
229.19514	3.6
232.25093	2.9
247.20688	4.3
249.14287	2.4
249.22244	2.7
257.19089	5.7
275.20111	24.3
293.21127	100.0
311.12842	3.3
311.17395	5.1
311.22183	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.03382	4.4
53.03945	6.1
55.01880	27.7
55.05527	29.1
57.03452	6.6
57.07075	20.9
67.05513	62.2
69.07076	47.5
70.28085	10.5
70.28462	8.6
71.04999	9.7
71.08649	5.6
79.05510	51.2
80.17475	4.4
81.03420	10.2
81.07064	100.0
83.04980	9.1
83.08636	13.2
91.05507	31.2
93.07063	40.0
95.04996	23.6
95.08617	48.9
97.02937	5.0
97.06544	44.8
97.10180	6.3
99.08102	8.1
105.07021	35.9
105.22545	4.1
107.04973	12.6
107.08595	21.4
109.06525	25.9
109.10177	21.9
111.04474	5.9
111.08074	7.3
117.07033	12.9
119.08585	26.7
121.06519	11.0
121.10157	21.6
123.08071	17.3
123.11710	9.9
125.09647	9.1
131.08577	17.3
133.10123	19.9
135.08037	5.3
135.11729	13.0
141.06944	6.1
144.09465	5.2
145.10141	13.5
147.11743	24.5
149.09578	12.5
149.13303	11.6
151.11154	5.3
153.05421	7.3
159.11769	11.2
161.13388	6.1
163.11224	12.7
165.12788	9.6
187.21336	4.6
191.10745	10.0
193.04980	7.0
209.11708	42.7
237.11292	27.6
247.20642	5.4
255.12274	10.3
257.18991	8.7
275.20053	68.6
293.18048	6.2
293.21115	38.8
311.17435	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.43211	4.6
53.03934	7.3
55.01879	24.1
55.05516	60.6
57.03430	8.1
57.05265	4.6
57.07061	12.3
58.60637	4.4
65.03960	4.5
67.05502	84.4
69.03442	5.3
69.07075	56.1
69.81069	8.1
69.81478	21.9
71.04993	11.7
79.05058	8.6
79.05492	66.9
81.03394	9.4
81.07057	77.5
82.28852	4.4
82.72404	4.7
83.05000	36.2
83.08618	49.5
83.55531	4.1
91.05485	40.3
92.24020	4.6
93.07047	61.1
95.04971	58.0
95.08610	59.2
97.06518	21.5
97.10155	18.4
105.07040	39.9
107.04936	15.3
107.08617	50.6
109.06523	12.5
109.10149	38.9
111.04462	29.8
111.08049	20.5
117.07003	13.4
119.08584	28.3
121.06531	11.3
121.10113	33.3
123.08064	11.9
123.11708	6.7
125.06011	6.6
125.09632	22.2
131.08560	27.4
133.10139	34.5
135.07993	11.2
135.11740	22.7
137.09590	8.8
139.11110	6.1
143.08545	7.3
145.10143	26.6
147.11652	15.0
149.09602	40.7
151.11124	10.5
153.05421	9.2
153.12646	6.8
157.81317	5.0
159.11731	16.7
161.13181	6.1
163.11182	38.3
165.12721	8.8
171.11595	5.6
173.13356	6.7
177.12698	7.1
181.12238	9.7
189.11211	16.1
191.10590	13.8
205.12131	6.3
209.11710	57.5
223.13329	35.2
229.19501	7.0
237.11163	33.3
237.14894	6.6
239.17894	5.6
241.09926	5.4
247.20578	7.7
257.19031	19.6
270.03848	4.7
275.20062	100.0
293.21140	82.6
311.17578	18.2
311.21985	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.50035	1.8
51.81330	1.8
53.03934	4.4
54.81741	1.8
55.01874	20.9
55.05516	60.7
57.03434	4.2
57.06835	1.9
57.07079	23.9
59.05014	2.3
60.08402	1.6
65.03941	1.8
67.05506	42.8
69.03415	4.3
69.06734	2.1
69.07070	21.6
70.48975	6.4
71.04980	7.4
77.03943	2.1
79.05495	41.8
81.03406	9.2
81.07062	35.1
83.04987	37.2
83.08620	39.8
85.02895	7.1
85.06544	3.1
91.05483	22.0
93.07052	42.8
95.04970	89.0
95.08613	20.6
97.06528	6.6
97.10171	30.7
99.04436	9.3
99.08090	3.3
105.07041	22.5
107.04975	11.9
107.08601	44.8
109.02879	5.0
109.06493	8.2
109.10162	15.5
111.04449	65.6
111.08083	15.9
117.07027	12.1
119.08594	21.0
121.06513	6.6
121.10145	29.0
123.08053	7.3
123.11710	4.1
125.06014	8.8
125.08783	3.0
125.09630	32.6
128.32610	1.7
129.07001	5.0
130.07713	1.8
131.08562	19.3
133.10123	15.7
135.04405	3.1
135.08087	8.4
135.11697	13.6
137.09624	4.0
139.11154	3.6
139.39835	1.6
143.08577	1.8
145.10126	28.3
147.08038	7.5
147.11702	10.4
147.40637	1.6
149.09628	50.2
151.11209	2.3
153.05458	17.1
153.09116	3.3
153.12746	9.5
157.10127	3.7
159.01694	1.6
159.11714	8.4
161.09567	2.8
161.13235	2.3
163.11194	46.3
165.12761	1.7
165.96440	1.7
167.10739	1.9
169.10020	1.8
171.10164	8.5
171.11621	3.2
173.09612	2.4
173.13293	3.1
175.11079	2.3
177.12773	4.0
181.04962	2.2
181.12241	18.6
187.11156	3.9
189.11205	25.0
191.10667	17.3
193.08636	2.6
193.12247	2.1
196.14920	1.6
197.13210	2.0
205.12244	7.5
209.11737	70.2
211.13367	2.3
223.13300	98.6
227.12685	4.2
229.19452	2.6
237.11241	59.5
237.14842	4.3
239.17946	3.4
247.20570	3.6
255.12282	11.6
257.19019	10.0
275.20084	100.0
293.17477	6.4
293.21100	92.1
294.21451	2.1
311.18503	4.0
311.22171	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	311.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54840	0.4
69.03381	0.5
69.66835	2.9
79.05481	3.2
81.03440	0.9
81.07057	4.6
81.49711	0.5
82.06579	1.9
83.04969	0.9
84.08124	0.5
91.05448	0.6
92.30068	0.4
93.07049	1.1
104.10970	0.5
108.08088	1.7
109.06520	23.8
129.06998	0.6
130.06526	1.2
131.07310	0.5
137.05977	1.1
141.71443	0.5
144.08084	12.0
154.06584	1.1
155.07329	1.1
156.08060	1.2
158.09608	0.7
159.25754	0.5
168.08086	2.0
170.09659	12.9
171.09142	0.8
180.08067	0.9
183.09171	0.6
185.10776	1.1
191.08620	0.5
194.09656	1.4
197.10724	0.9
205.08817	0.6
208.09792	1.1
211.76070	0.5
220.11259	1.1
221.10753	9.0
222.11267	1.2
222.13091	1.0
223.12302	8.6
225.13844	8.4
234.11496	1.1
235.12375	1.6
236.12946	2.4
247.12405	2.4
249.13884	20.3
250.14584	0.6
251.15446	28.2
252.15639	0.6
263.15363	0.7
265.13290	0.6
267.14926	5.0
275.15399	1.6
279.10049	0.6
293.16492	31.3
311.17535	100.0
312.17813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1755
Annotation	(+)-Norajmalidine
Peak:m/z	Relative Intensity
52.99461	0.4
53.03954	0.6
57.56267	0.4
68.43894	0.4
69.25826	1.4
69.26240	2.4
71.97328	0.4
79.05502	2.3
81.03396	0.5
81.07069	5.0
82.06577	1.4
83.04974	0.9
91.05488	0.5
108.08084	0.9
109.06531	20.6
117.06995	0.5
122.53950	0.5
128.06198	0.5
129.07005	0.6
130.06541	1.7
134.09529	0.4
137.05974	0.5
137.22362	0.4
142.06480	0.4
143.07370	0.7
143.08496	0.9
144.07025	0.9
144.08104	11.7
152.35187	0.4
154.06581	0.5
155.07324	1.3
156.08113	1.1
168.08099	2.2
169.07663	0.7
170.09659	10.6
171.09114	0.6
179.79732	0.4
180.08096	1.0
185.10770	1.5
191.08612	0.7
197.10764	0.8
207.09225	0.6
208.09953	1.8
218.09778	0.6
220.11230	1.3
221.10716	7.7
222.11226	0.9
222.12924	1.2
223.12286	7.5
225.13882	6.9
234.11555	0.6
235.12299	1.3
236.13104	1.3
247.12378	1.4
249.11311	1.0
249.13898	17.2
250.14624	0.5
251.15460	28.6
264.13654	0.5
265.13165	0.6
267.15027	5.1
275.15350	0.7
279.10083	0.4
293.16507	33.0
311.17566	100.0
312.17944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1754
Annotation	(+)-Norajmalidine
Peak:m/z	Relative Intensity
53.03932	0.7
53.31470	0.4
57.27203	0.4
65.03935	0.6
67.05492	1.5
70.06585	0.6
70.80161	1.3
73.02922	1.2
79.05476	1.6
81.03432	0.8
81.07049	2.0
85.02854	0.8
91.05489	5.6
92.05020	0.8
93.05760	1.6
93.07041	2.0
94.04160	0.7
95.04926	1.1
95.08574	1.4
97.02876	0.8
103.05467	1.7
103.06092	0.6
105.07018	1.0
107.04940	1.8
107.08610	0.6
108.08119	26.3
109.06525	2.1
110.09689	3.2
111.08076	2.2
115.05396	1.2
118.06565	0.6
120.04472	4.7
120.08112	1.0
121.06482	0.9
122.03640	1.3
124.11151	0.6
126.09203	0.7
130.04977	0.9
130.06554	2.3
131.04915	2.5
132.08076	1.7
133.06395	0.6
135.04424	0.6
136.11342	0.7
137.05992	15.7
138.09044	0.8
142.06563	0.7
143.85860	0.5
144.05711	0.5
144.08109	1.9
149.05971	2.2
151.03929	0.9
152.10710	1.3
153.07022	0.5
154.12262	6.6
158.06023	15.8
160.07584	28.1
163.03871	1.2
165.06981	0.9
167.07106	0.5
172.05223	1.3
172.07637	1.2
173.08368	0.8
174.09175	0.9
181.06474	0.9
182.05893	0.5
183.06772	0.6
184.07600	1.4
185.07112	6.8
186.07715	0.7
186.09306	2.6
187.03819	0.7
187.07532	5.2
190.07814	1.0
191.08580	1.6
196.07532	2.4
197.07088	18.9
198.07791	1.3
198.09421	0.5
199.08710	3.7
210.09041	0.6
212.10728	0.7
218.07327	1.2
219.08061	3.8
220.07433	0.7
221.05884	1.1
222.09094	1.2
224.10747	1.5
234.09099	1.9
235.07591	0.5
236.08467	1.1
236.10693	1.8
237.05534	0.8
238.12204	1.4
239.11815	2.6
240.07796	0.7
247.07530	2.0
248.10681	3.1
249.02847	1.0
249.05424	1.1
249.11497	1.1
250.12248	2.4
251.10590	3.7
252.13919	0.8
253.08627	0.8
260.10593	0.7
261.09070	0.6
261.11591	1.2
262.12125	2.3
264.07904	1.3
264.13889	6.8
265.08536	0.7
266.15363	1.6
267.14923	4.7
268.07385	0.9
268.13672	0.7
276.13831	1.8
279.10190	6.1
280.10944	0.8
281.08206	1.1
283.09698	2.7
293.16513	1.4
294.14761	3.1
296.10394	1.6
309.15961	1.5
311.09579	1.9
311.12997	6.8
311.17535	100.0
312.17892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1754
Annotation	(+)-Norajmalidine
Peak:m/z	Relative Intensity
53.03957	0.5
57.71841	0.5
71.16354	0.9
79.05489	3.3
79.88643	0.5
81.07045	4.2
82.01821	0.5
82.06596	1.0
82.17532	0.5
83.04985	0.6
93.07047	0.7
105.07100	0.5
106.06578	0.7
106.46910	0.6
108.08111	1.1
109.06522	26.4
110.56264	0.4
113.02245	0.5
117.07027	0.9
121.10184	0.8
130.06537	2.0
131.84764	0.5
133.02858	0.7
137.05994	1.2
143.07321	0.8
143.08553	0.9
144.07021	1.0
144.08093	12.6
154.06508	0.7
155.07292	1.4
156.08101	1.0
158.09668	0.6
161.06010	0.8
167.07195	0.5
168.08095	2.0
169.08919	0.7
170.08246	0.9
170.09660	10.7
180.08075	1.0
185.10710	1.1
191.08553	0.8
194.09679	1.2
197.10796	0.8
207.09117	1.0
207.92970	0.5
208.09955	1.8
220.11165	1.5
221.10751	11.2
222.11151	1.1
222.12917	1.8
223.12286	8.7
225.13864	6.3
234.11365	1.4
235.12315	2.0
236.13185	1.8
247.12331	1.9
249.13904	20.2
250.14510	0.6
251.15439	34.9
265.13229	1.0
267.14926	5.8
275.15463	1.0
279.10184	0.7
293.13092	1.2
293.16483	33.2
311.17545	100.0
312.17813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1649
Annotation	Fulvine
Peak:m/z	Relative Intensity
51.23784	0.5
55.01872	2.1
55.05509	1.7
59.05008	0.6
69.07071	7.7
71.48252	0.7
73.02921	6.7
73.06557	5.2
73.66144	0.6
83.04993	0.9
88.03990	4.7
91.05495	1.0
93.07028	0.8
93.25130	0.6
97.06573	0.8
105.07038	2.1
107.08613	1.4
110.06078	0.9
118.06544	10.8
119.04918	0.7
119.07349	1.5
119.08588	0.6
120.08112	61.5
122.06030	1.4
132.80795	0.5
136.07574	6.6
137.04234	2.4
137.05965	0.9
139.05788	1.6
146.06030	2.4
147.04460	0.8
147.11748	1.8
148.04752	0.9
148.44894	0.5
159.11758	1.1
161.13269	1.1
164.07069	35.7
168.36183	0.5
174.34241	0.5
181.10439	0.6
187.11215	1.0
189.12778	1.8
191.14421	0.8
192.81804	0.6
196.09756	1.3
212.07523	0.9
221.09930	1.3
223.11504	2.8
226.08961	0.7
232.13416	1.6
234.14900	38.5
236.12802	1.2
250.14478	2.0
252.10632	0.7
260.12888	0.8
262.10922	0.6
266.17758	0.7
278.13879	32.6
310.16568	100.0
311.17053	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03935	1.3
55.01871	1.5
55.05515	0.8
65.03954	1.3
67.05501	1.7
68.87190	0.7
69.09350	0.8
71.15368	1.3
77.03928	0.7
79.05513	7.7
81.03432	2.2
81.07069	6.8
82.06573	2.0
91.05476	5.6
93.07067	4.8
94.04210	3.1
95.05000	0.8
103.05468	2.2
105.03454	0.9
105.07040	5.8
107.04958	2.9
107.08618	1.2
108.08108	1.4
109.05801	1.4
109.06532	21.5
111.08109	0.9
115.05475	4.1
116.06242	1.8
118.06574	0.8
119.08600	1.4
120.08098	0.8
121.06515	3.5
121.10145	2.5
122.03669	8.9
128.06241	1.7
129.07011	5.2
130.06528	3.5
131.04915	2.3
131.08601	0.9
132.08122	1.1
133.02930	1.2
133.06523	4.8
135.08034	1.4
137.05992	72.4
138.06317	0.9
143.06003	0.8
143.08568	0.9
144.05716	3.3
144.08110	10.7
145.06494	1.2
147.08098	1.2
149.05995	5.2
149.09579	1.0
150.06779	1.7
151.03938	1.2
151.07544	1.1
154.06531	1.6
155.04951	5.9
155.06087	1.5
155.07291	1.7
156.05696	1.2
156.08083	0.8
159.08055	8.0
161.06006	10.1
165.07028	3.8
167.07135	1.1
167.08492	0.8
168.08116	2.8
169.07626	1.9
170.09651	7.3
171.04515	0.9
172.05229	2.8
175.07588	2.8
179.08650	1.3
180.09367	1.0
181.06358	1.0
182.08409	1.4
182.09767	1.2
185.10808	1.6
187.03961	2.3
187.07567	21.8
189.07036	6.2
189.08879	1.5
190.07776	21.2
190.09537	1.2
191.08575	42.3
194.09676	1.2
195.09273	1.1
201.07195	1.0
202.07797	2.5
203.08626	2.4
205.06528	3.2
207.08037	5.8
208.08607	4.7
215.08733	0.9
217.06471	0.9
217.08781	1.1
218.07294	13.3
219.08072	48.3
220.08836	5.2
220.10947	1.1
221.06017	3.0
221.10721	7.4
222.11205	1.0
223.12468	5.8
225.13817	4.2
229.07736	1.6
234.11566	1.2
235.07584	6.7
235.12366	3.4
236.08382	10.7
236.12994	0.9
237.09096	2.0
246.06824	1.2
247.07585	20.1
247.12297	4.4
248.08276	2.5
248.13136	1.4
249.05460	1.0
249.13901	25.2
250.14479	1.5
251.10699	64.9
251.15317	20.6
252.10910	1.0
253.08696	6.0
257.57526	0.9
261.09103	2.1
263.07104	1.9
264.07913	7.5
265.08585	2.8
265.13321	1.4
267.14972	5.0
268.07242	0.8
268.11078	0.9
278.09412	1.6
279.10187	48.1
280.10889	4.5
281.08167	7.2
283.09665	0.8
293.16513	37.2
295.09778	1.4
296.10410	7.3
309.11145	0.9
311.09518	2.9
311.12848	46.8
311.17554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44080	0.2
53.03956	0.4
55.01874	0.3
56.96565	0.5
57.03436	2.9
57.07769	0.2
61.02916	1.8
69.03432	1.1
71.01351	0.8
71.48074	0.3
73.02913	1.0
76.66083	0.2
79.05492	0.5
81.03407	0.4
85.02906	40.9
86.03217	0.2
87.04459	0.3
89.03934	1.2
91.05473	0.5
92.05014	0.4
95.01332	0.4
95.04982	0.5
96.21793	0.3
97.02887	1.4
98.97607	0.5
101.00891	0.9
103.00616	0.2
103.02406	0.2
103.03970	0.8
107.04957	1.3
109.02858	0.2
109.18318	0.2
110.06036	0.8
111.02916	0.2
113.00907	0.7
113.02381	1.6
115.02487	0.5
116.98669	0.3
117.03415	1.2
118.06552	1.0
119.01920	0.8
119.07348	0.3
120.08108	100.0
121.06503	0.3
121.08464	1.1
127.02445	0.5
127.03916	1.1
129.03984	0.7
130.06487	0.3
131.01917	0.6
131.03391	2.2
133.03485	1.1
135.03156	0.3
135.04419	2.1
137.02557	0.2
138.03415	0.3
139.04199	0.5
143.01924	0.5
145.02791	0.9
145.03661	0.3
145.04802	0.3
146.03244	0.2
146.09691	0.4
147.05070	0.4
148.04771	0.4
148.07581	0.8
148.09692	0.9
153.04010	0.3
157.03513	0.3
159.03224	0.4
160.07660	0.3
161.02940	0.5
163.03909	8.4
164.04279	0.9
167.01874	0.3
168.99706	0.3
169.03485	0.6
173.02946	0.5
175.04652	0.4
180.04530	0.2
180.10158	0.6
181.03479	0.3
181.07104	0.5
185.02966	0.5
187.04568	0.7
190.08694	0.6
191.01810	0.2
191.03911	0.4
199.08163	0.3
203.04015	0.5
204.06117	0.3
205.04507	0.5
207.05125	0.4
211.04611	0.2
220.06886	1.4
221.02956	0.4
221.05075	0.4
225.06128	0.3
229.07184	0.2
232.09691	0.7
233.05128	0.3
250.10756	59.5
251.11095	0.8
252.59280	0.2
278.10345	1.1
295.08807	0.5
310.12836	38.2
311.13129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64989	0.4
57.03442	2.5
60.42099	0.4
67.83627	0.4
70.66251	0.9
71.01353	1.2
71.19631	0.4
85.02908	42.2
103.03950	0.6
110.06035	0.9
113.02377	1.5
118.06571	1.6
120.08109	100.0
121.08484	0.6
131.03401	2.6
146.09691	0.5
148.07541	0.4
160.07588	0.5
163.03957	0.5
180.10234	0.8
181.43701	0.4
190.08640	0.8
232.09686	0.6
250.10756	56.4
251.11063	0.9
278.10291	0.9
286.62500	0.4
310.12857	43.1
311.13153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	5.0
55.01871	5.2
55.05519	22.8
57.03434	6.1
57.07064	3.5
66.26058	1.7
66.39179	1.7
67.05510	49.1
68.56005	1.7
69.03439	3.4
69.07068	16.9
69.23170	16.4
71.05001	3.9
71.08636	51.9
79.05498	52.0
81.03416	7.5
81.06591	3.9
81.07059	52.8
81.08098	1.6
83.04980	12.3
83.08629	12.7
85.06550	4.5
91.05481	24.6
93.07047	59.7
94.67546	1.8
95.04983	16.0
95.08614	38.9
95.72825	1.6
97.06549	12.2
97.10168	9.1
99.08102	41.9
105.07047	17.5
107.04948	8.5
107.08603	35.1
109.06483	4.0
109.10164	17.6
111.04462	2.8
111.08096	4.2
113.05991	2.2
113.09598	1.8
117.07016	7.1
119.08600	19.6
121.06569	2.5
121.10141	32.4
123.04446	9.9
123.08054	4.1
123.11737	2.1
129.06992	4.8
131.08569	4.8
133.10165	11.0
135.08015	4.3
135.11693	41.6
137.09605	5.0
139.11191	2.5
141.09099	3.7
142.07806	2.4
142.36530	1.8
143.08539	5.5
145.10146	10.8
147.08063	2.5
147.11693	4.9
149.13278	9.7
151.11176	17.8
153.12729	3.3
157.10182	2.4
159.11722	3.8
161.13251	11.9
163.11166	12.9
165.12755	4.0
171.11742	4.0
175.14865	2.1
177.12747	4.4
179.14320	100.0
181.12207	2.2
185.13228	2.9
189.12766	2.9
193.12190	2.8
203.14349	1.9
207.13680	3.4
217.12212	2.7
221.15390	3.2
235.13225	4.4
235.16873	3.2
259.20599	4.4
265.13412	2.5
273.18573	5.0
277.21649	43.3
291.19464	7.4
309.16315	5.2
309.24420	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	309.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94118	0.4
53.52029	0.5
55.01861	1.1
55.05524	5.1
55.14697	0.4
57.03444	0.8
57.07061	0.4
67.05510	1.8
69.03441	0.8
69.07085	2.0
70.06573	0.6
71.08620	1.4
71.48275	0.4
71.48643	0.6
72.04527	2.3
72.08141	1.6
79.05495	0.8
81.03418	1.1
81.07048	1.2
82.06555	0.5
83.04996	1.1
83.08627	2.8
84.63387	0.4
85.02907	1.2
91.05480	1.0
93.07018	1.1
95.04975	2.4
95.08613	0.6
97.06532	1.1
98.09692	1.3
98.98515	0.7
99.04476	0.4
100.07631	1.4
100.11284	3.4
101.11588	0.5
105.07082	0.6
107.08569	0.5
109.02892	0.5
110.06082	0.7
111.04471	1.1
112.07646	0.7
114.09205	0.6
117.07029	0.7
119.04936	1.2
119.08574	0.6
120.08124	50.7
122.06100	0.6
123.04443	1.4
124.07600	0.7
126.09190	2.3
128.07089	0.5
129.07011	0.5
137.76668	0.5
144.08110	12.2
145.10201	0.4
147.04427	3.4
147.08118	0.6
152.10732	55.5
161.14745	0.5
163.04050	0.9
166.08676	0.9
170.09659	0.6
178.12228	0.6
182.15430	14.3
182.17044	0.8
186.11143	0.6
206.07332	0.5
210.14886	2.4
212.37924	0.5
233.16560	3.7
234.06807	0.5
235.07887	0.5
235.13231	0.9
239.12029	0.5
265.19156	100.0
266.19443	1.5
277.08502	0.8
277.20105	0.5
294.09097	0.5
309.11423	1.3
309.16049	9.5
309.21246	4.5
309.25113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
50.07549	2.3
53.03957	5.0
55.01866	5.5
55.05516	18.6
57.03423	7.2
57.07079	2.6
58.70599	2.3
63.56358	2.0
65.03920	2.7
67.05508	35.7
68.20924	2.3
69.03397	2.8
69.07071	23.9
69.82996	10.3
71.04993	3.9
72.99019	2.1
79.05493	39.6
81.03400	3.0
81.07061	47.8
83.04967	5.0
83.08604	7.8
91.05482	43.5
93.07045	79.2
95.04973	45.3
95.08610	46.2
97.06549	21.4
97.10181	5.2
98.21217	6.0
103.05476	3.8
104.06342	2.3
105.04524	2.5
105.07034	91.9
107.04962	5.5
107.08595	42.9
109.06551	12.2
109.10166	27.1
115.05434	4.5
117.07011	20.6
119.08588	70.2
120.89485	2.3
121.06496	9.3
121.10146	100.0
123.08125	11.7
123.11752	11.5
125.09641	2.9
128.06209	9.0
129.06984	12.0
130.07799	7.9
131.08568	43.0
133.06525	3.3
133.07607	3.3
133.10129	45.2
135.08023	7.9
135.11691	15.8
141.06973	6.9
141.27034	2.4
142.07808	18.1
143.08571	32.2
144.09338	9.9
145.06491	3.4
145.10129	53.0
147.04370	5.0
147.08034	4.2
147.11713	14.6
149.09676	3.2
154.07777	3.4
155.08551	17.3
156.09335	11.3
157.10126	37.3
158.10905	5.2
159.07991	5.5
159.11699	43.6
161.09659	8.3
161.13216	6.7
163.11191	4.8
164.98499	2.7
165.07094	3.3
167.08531	4.6
168.09279	3.1
169.10165	19.8
170.10881	8.2
171.11699	22.1
173.09654	7.7
173.13240	17.5
175.14825	7.2
179.08540	6.7
181.10094	9.7
182.10907	5.6
183.11736	15.9
184.08566	2.5
185.13277	13.0
187.11168	12.2
187.14821	21.7
189.12822	2.6
193.10133	7.5
194.10982	4.1
195.11694	8.7
196.12602	5.6
197.13301	18.4
199.11243	5.5
199.14806	12.3
201.12715	3.5
201.16403	3.3
206.10985	2.9
207.11661	7.3
209.13293	11.8
211.14758	12.3
213.12845	3.4
213.16376	5.7
215.14340	6.8
220.12531	3.8
221.13321	9.5
222.14072	2.3
223.14828	7.0
225.12834	3.0
225.16376	6.0
226.80623	2.3
235.14847	10.5
239.14394	4.8
239.17862	3.8
241.15918	2.8
249.16331	5.5
251.18025	3.1
253.15892	6.6
253.19614	3.3
261.16257	2.8
265.19482	3.7
267.17801	3.4
273.18515	2.8
281.22623	8.2
291.21417	11.8
294.19751	3.0
309.22122	98.9
327.05457	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2064
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	9.0
55.01872	15.9
55.05510	28.4
57.03431	15.8
59.05004	3.4
67.05502	48.5
69.03437	7.4
69.07065	34.2
70.61447	10.5
71.04994	10.1
79.05497	56.5
81.03438	10.1
81.06591	6.8
81.07056	100.0
83.04989	15.2
83.08627	13.9
85.02921	3.9
85.06526	5.8
91.05064	3.2
91.05498	35.0
93.07047	48.3
95.04956	20.1
95.08610	34.5
97.02923	4.7
97.06528	20.4
97.10165	17.4
99.08101	9.5
103.05400	3.5
105.07024	38.3
107.04958	13.6
107.08594	28.7
109.06529	33.7
109.10146	12.8
109.86264	3.3
111.04462	12.5
111.08083	5.4
117.06995	11.9
119.08607	30.2
121.06503	10.3
121.10166	21.7
122.07339	6.4
123.04450	7.3
123.08122	16.0
123.11746	4.3
124.08396	4.6
125.05975	4.9
125.09628	11.0
127.07596	3.7
129.07018	12.6
130.40346	3.6
131.08560	10.9
133.06487	6.4
133.10156	17.8
135.08055	13.7
135.11659	10.9
137.06001	4.0
137.09669	8.3
141.07002	4.9
143.08575	6.8
145.10118	12.1
147.04472	4.8
147.08038	9.2
147.11679	8.1
149.09634	12.7
151.07648	4.1
151.11241	6.1
153.09102	4.3
157.10164	8.4
159.11713	6.3
161.09587	9.0
161.13219	4.1
163.11195	13.8
165.09125	7.6
173.09508	4.5
175.11246	7.6
177.12802	6.4
189.12737	3.7
189.16418	4.5
193.12120	4.9
217.15880	5.8
219.13620	3.5
221.10960	3.4
221.15285	3.7
222.73622	3.8
235.16969	5.0
240.13167	7.2
245.18936	5.7
255.17505	7.5
263.19937	6.6
265.13278	4.1
273.18478	32.7
291.19553	63.9
309.15866	11.7
309.20477	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03933	7.7
54.13934	3.1
55.01867	15.2
55.05514	26.5
57.03207	4.7
57.03442	54.1
57.07066	3.5
61.05363	2.8
63.62655	2.9
67.05506	72.8
69.03415	6.3
69.07063	25.8
70.29155	3.0
70.93276	8.5
71.04967	13.3
75.04459	3.1
79.05080	4.4
79.05500	64.4
80.92196	3.2
81.03420	27.8
81.06595	5.8
81.07060	100.0
83.04973	14.5
83.08597	10.8
85.06537	10.6
91.05480	53.1
93.07046	59.4
95.04958	22.7
95.08610	50.0
97.06532	48.3
97.10166	8.7
99.04428	4.1
99.07583	3.5
99.08099	34.8
105.07042	45.0
107.04952	14.8
107.08601	39.2
109.06533	42.0
109.10146	23.6
111.04429	10.8
111.08063	7.2
113.06018	3.9
115.05481	3.5
116.64552	3.1
117.07012	26.7
119.08582	32.3
121.06475	9.1
121.10174	21.7
123.04369	3.7
123.08057	16.6
123.11725	4.7
125.06040	3.7
125.09600	8.3
127.07524	12.4
129.06996	11.0
131.08556	31.9
133.06499	5.2
133.10138	35.2
135.08073	21.1
135.11665	13.6
137.09622	7.7
139.07474	3.5
143.08534	9.2
144.08083	13.3
145.06470	3.7
145.10112	23.2
147.08041	9.9
147.11661	12.5
149.09584	13.1
149.13272	6.9
151.11171	11.0
151.88387	3.6
153.09087	4.9
157.10118	13.4
159.11670	16.0
161.09624	8.7
163.11214	8.2
165.12712	4.5
170.09669	3.6
171.10216	3.7
171.11726	8.1
173.13260	7.8
175.11121	5.9
177.12752	7.3
181.12447	3.1
183.11664	4.1
185.13347	4.9
189.12805	4.4
191.14270	4.2
199.11191	3.9
199.14722	3.8
217.15941	16.3
219.13805	12.5
221.10706	45.1
221.15413	9.6
223.12212	26.4
227.17970	4.7
233.15434	7.2
245.19012	7.6
251.16357	8.3
255.17485	6.0
263.11850	3.7
263.19904	7.9
265.13370	99.8
273.18527	33.7
291.19595	67.5
309.16016	58.8
309.20050	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03945	2.6
53.20416	1.3
54.34381	1.3
55.01860	4.9
55.05271	2.1
55.05513	29.5
57.03422	4.6
62.98782	1.2
67.05505	25.6
69.03442	8.3
69.07063	9.7
69.32427	11.5
71.01340	1.6
71.05449	1.6
79.05077	2.5
79.05499	30.4
81.03416	2.4
81.07062	29.9
83.04977	7.2
83.08618	9.3
85.06570	1.5
91.04991	1.8
91.05489	24.1
93.07053	24.8
95.04967	9.2
95.08607	39.3
97.02895	2.2
97.06523	6.1
97.10165	16.3
103.88660	1.6
105.07037	19.1
107.04964	7.9
107.08587	15.6
109.06510	6.3
109.10150	4.9
111.04444	1.8
111.08083	3.4
115.05440	2.4
117.07024	14.5
119.04933	6.4
119.08581	26.7
121.06498	4.8
121.10154	12.9
122.36292	1.3
123.08072	10.9
123.11719	1.5
125.09639	12.8
127.03940	1.4
128.06256	1.7
129.07025	7.4
130.06493	1.8
131.08565	13.2
133.06467	5.7
133.10139	5.1
135.08087	7.4
135.11694	4.1
135.58412	1.4
137.09607	4.9
143.07509	1.6
143.08562	5.1
144.08104	15.6
145.10133	14.5
147.03372	2.6
147.04417	22.2
147.08040	17.9
147.11693	4.3
149.09616	5.6
151.07532	1.7
153.09148	1.6
155.07289	2.9
155.08495	1.7
157.10107	6.3
159.08031	2.6
159.11682	5.2
161.09596	7.4
163.03958	8.6
163.11171	5.0
164.04237	3.6
165.04404	6.6
165.09055	1.7
168.08122	2.1
169.07584	1.9
169.10056	2.2
171.10228	1.8
171.11569	2.8
173.09700	1.7
175.11166	3.2
177.09181	1.7
178.07851	1.8
183.09027	2.0
184.09961	3.9
185.10768	13.8
185.13284	2.2
189.11224	7.8
189.12694	1.8
205.06528	1.8
221.10794	19.4
223.12242	9.2
234.06822	2.2
235.12448	2.2
237.16382	1.9
245.18941	1.7
247.12309	29.9
248.13094	38.9
249.09421	3.1
249.13857	7.6
251.06999	2.2
251.11600	1.4
255.17407	4.6
261.18622	1.6
262.06070	1.6
263.11783	2.6
263.15247	3.3
263.20032	2.1
265.13373	23.9
265.17859	2.3
273.18481	21.0
277.08569	4.2
281.11716	4.9
291.14896	23.0
291.19522	91.9
294.08716	2.0
309.11496	6.5
309.15942	100.0
309.20541	58.2
309.27875	2.1
310.16385	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01870	10.3
55.05511	17.0
56.65029	2.6
57.03438	43.2
57.07068	5.3
57.63400	3.2
67.05505	41.2
69.03419	3.0
69.07069	9.4
69.31555	26.1
71.04997	6.9
74.61688	2.9
75.49876	2.9
79.05499	20.8
81.03427	6.9
81.07054	23.0
83.04961	3.8
83.08619	5.5
85.06548	32.7
91.05486	18.3
92.87675	2.9
93.07050	21.0
95.04967	43.8
95.08606	13.6
97.06564	4.5
97.10175	5.7
105.07024	14.3
107.04943	6.1
107.08598	16.1
109.06527	40.1
109.10149	5.2
113.05250	6.3
113.06007	100.0
117.07002	7.6
119.08590	11.0
121.10185	5.4
123.04387	6.3
123.08058	5.2
125.09660	3.7
129.07005	6.3
131.08582	14.0
133.10130	10.0
135.08047	38.9
135.11667	3.8
143.08543	5.2
145.10127	10.8
147.08028	6.1
147.11737	4.3
149.09560	3.9
153.55545	3.3
159.11714	7.8
161.09633	4.7
163.11203	4.8
175.11012	3.5
176.51375	3.3
179.82991	3.2
189.11169	4.8
189.12801	3.7
217.15825	15.8
235.13277	2.8
265.13644	3.0
273.18463	21.5
291.19543	70.9
300.83942	3.6
309.15857	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.24933	1.5
53.03934	4.1
53.96554	1.3
54.74279	1.5
55.01860	5.7
55.05511	30.1
57.03425	2.3
57.07061	2.0
67.05509	18.8
67.07706	1.8
68.59510	1.8
69.03411	5.8
69.07082	9.4
70.68310	3.5
71.04977	1.6
74.38325	1.4
79.05495	19.2
81.03396	3.9
81.07057	24.7
83.04955	4.7
83.08614	15.1
85.02862	1.8
91.05479	12.3
93.07066	13.8
95.04971	7.3
95.08617	8.8
97.06528	1.9
97.09647	1.9
97.10177	21.7
105.07019	10.1
107.04940	3.3
107.08604	12.8
109.02871	1.6
109.06532	3.8
109.10146	6.2
111.04452	2.4
111.08064	3.8
117.07012	4.4
119.08611	8.2
121.06499	3.2
121.10138	4.7
123.08065	6.8
125.09634	16.8
129.07062	1.9
131.08562	5.2
133.06436	3.0
133.10106	4.9
135.08054	4.0
137.09630	3.7
143.08594	2.2
145.10095	4.4
145.40924	1.7
147.08055	4.4
147.11694	4.4
149.09602	2.1
157.10147	3.2
163.11182	3.0
165.09171	4.2
175.11095	2.9
189.11264	8.8
193.12251	1.9
223.13350	3.8
247.12158	2.4
248.13071	1.9
248.15710	1.5
249.14703	3.3
264.07236	1.7
265.13333	1.9
271.19937	1.5
273.18530	12.0
291.19543	100.0
309.15930	13.7
309.20560	7.0
309.29694	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.37346	4.3
53.03944	13.0
55.01860	13.9
55.05520	33.8
57.03415	6.2
60.82987	4.2
67.05505	39.3
69.07059	16.5
70.11044	21.9
71.04998	8.1
79.05502	48.4
81.03400	15.5
81.07059	96.1
82.05676	4.8
83.04543	4.9
83.04984	27.7
83.08628	13.8
85.02898	11.9
85.06535	9.4
89.97195	4.4
91.05486	27.5
93.07056	31.8
95.04971	16.3
95.08585	19.7
97.06532	11.5
97.10184	9.9
105.07007	21.9
107.04959	12.5
107.08588	26.3
109.06522	40.1
109.10151	11.5
111.04460	50.2
111.08059	10.4
113.05987	10.4
117.07011	16.7
119.08596	28.6
120.68382	4.6
120.74915	4.7
121.06479	10.2
121.10158	12.8
123.08051	14.0
125.09589	7.9
129.07092	5.1
131.08539	14.0
133.10106	7.2
135.08035	14.1
135.11681	14.7
136.82748	5.5
143.08566	7.4
145.10138	19.8
147.08022	17.4
149.09586	11.0
149.13254	5.0
153.12733	10.5
159.11740	10.5
161.09602	7.1
163.11153	23.9
181.12210	20.0
189.11140	5.5
191.10719	11.8
223.13274	7.7
227.12799	8.0
229.24591	5.0
262.26218	5.9
273.18552	36.7
291.19559	100.0
291.64365	5.4
309.15955	6.1
309.20660	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.55832	2.9
53.03954	3.9
53.68844	2.8
55.01884	16.6
55.05517	57.7
55.41000	2.8
57.03425	8.3
65.03958	3.1
67.05178	5.2
67.05514	52.7
69.03421	10.4
69.07082	34.2
70.92364	5.2
72.18257	2.9
79.05503	51.1
81.03431	23.1
81.07067	100.0
81.21622	3.0
83.04993	15.0
83.08626	28.3
85.02930	5.4
85.06548	4.0
91.05484	24.0
93.07049	37.7
95.04970	23.3
95.08615	30.3
96.25173	3.0
97.06555	17.5
97.10191	43.8
99.08088	5.6
105.07043	28.6
107.04983	9.8
107.08605	27.1
109.06524	9.0
109.10168	20.0
111.04458	17.4
111.08099	13.1
117.07033	10.1
119.08589	18.2
120.14228	3.1
121.06506	7.9
121.10155	10.7
123.04507	3.5
123.08104	33.7
125.09647	33.1
129.07007	3.7
131.08569	11.7
133.10146	10.6
135.08064	10.2
135.11708	9.2
137.09631	11.5
143.08527	3.4
145.10170	13.6
147.04395	10.4
147.08052	7.5
147.11728	9.9
149.09666	7.9
149.13283	4.2
153.12836	5.7
157.10193	7.6
159.11705	5.1
163.03958	3.1
163.11217	28.6
165.09148	13.0
171.10289	3.9
171.11671	4.9
173.09598	4.0
175.11234	5.6
177.12842	3.5
179.10579	4.2
181.12216	7.0
185.13269	3.9
189.11266	22.2
191.10742	8.1
193.12244	14.6
193.31351	3.0
211.13306	4.0
214.10191	3.4
215.53651	2.8
222.90211	2.5
227.12810	4.1
237.14906	2.9
245.18982	5.7
255.17480	3.9
273.18552	24.4
291.19565	85.8
309.15933	8.5
309.20749	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	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	8.8
55.01874	21.5
55.05283	3.3
55.05522	46.6
57.03440	5.5
57.07068	3.3
65.03959	5.1
67.05191	5.3
67.05515	78.3
69.07087	31.1
71.04999	7.6
75.38583	3.8
78.91993	4.3
79.05504	57.0
81.07066	90.0
83.01321	4.2
83.04982	16.7
83.08623	10.9
85.04164	4.8
85.06523	5.0
91.05499	53.0
93.07058	60.8
95.04971	15.5
95.08622	36.9
97.02875	5.9
97.06540	10.9
97.10189	8.9
98.09382	3.4
105.07040	52.4
107.04957	11.3
107.08608	48.8
109.06527	15.8
109.10160	69.7
111.04442	8.0
111.08062	14.7
117.07042	10.6
119.08592	16.3
121.06516	16.8
121.10132	17.5
123.08060	8.6
123.11720	8.6
125.05958	5.9
129.07034	7.8
131.08556	14.7
133.06499	11.3
133.10144	78.2
135.08038	11.6
135.11650	7.8
137.09641	6.8
139.07553	8.0
143.08577	10.4
145.10123	12.8
147.08049	13.9
147.11670	8.4
149.09602	9.2
149.13258	5.6
151.11208	42.5
157.10103	5.5
159.11707	7.3
161.09628	18.3
161.13232	5.0
163.11153	6.6
167.10593	4.6
169.12239	10.3
169.94185	3.6
171.11711	5.4
175.11212	13.9
177.12737	4.3
189.12827	3.8
199.11087	3.9
227.17787	4.8
228.88823	5.3
245.19032	20.4
255.17354	6.4
263.20126	21.5
273.18475	47.7
291.16550	7.7
291.19580	100.0
309.20682	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.12291	1.8
51.26561	2.0
53.03941	6.0
55.01873	20.3
55.05518	36.2
57.03435	7.2
57.07069	3.5
65.03953	3.5
67.05508	87.8
69.03431	6.1
69.07070	31.5
69.75436	9.9
71.05000	10.7
73.71967	2.2
79.05499	56.0
81.03422	5.0
81.07062	100.0
83.01338	3.9
83.04991	21.8
83.08625	14.5
85.06557	8.9
90.48531	2.4
91.04913	3.4
91.05483	64.8
93.07048	57.3
95.04987	14.2
95.08620	35.2
97.06555	6.4
97.10177	7.8
98.21445	3.3
99.04482	7.4
99.08105	4.5
99.53156	2.3
105.07038	67.9
107.04965	9.6
107.08600	57.5
109.06527	17.9
109.10165	91.1
111.04454	8.7
111.08088	9.5
113.05988	4.0
115.11109	1.9
116.27866	2.1
117.07033	10.8
119.04923	3.2
119.08597	20.6
121.06512	11.4
121.10156	11.9
123.04449	4.2
123.08098	6.7
123.11733	12.7
125.06033	4.0
125.09666	4.1
127.07597	2.8
128.06227	3.8
129.07025	8.2
131.08575	18.1
133.06520	9.7
133.10136	99.1
134.10533	2.5
135.08073	6.4
135.11705	8.8
137.06021	2.8
137.09593	5.0
139.07553	7.7
143.08556	9.0
145.10103	11.9
147.08092	11.5
147.11697	6.8
149.09709	10.0
151.11192	63.4
157.10153	5.0
159.11707	7.4
161.09650	11.3
161.13272	5.7
163.11221	4.4
165.09128	5.1
165.12773	2.3
169.12241	12.6
171.11694	4.5
175.11226	6.3
177.09164	2.9
177.12769	3.3
179.10765	4.8
181.08678	2.2
181.12250	3.1
189.12753	4.1
193.12137	2.2
199.11287	2.5
203.14323	3.6
207.13940	3.0
213.16725	2.2
215.12852	3.1
217.12320	3.2
227.17973	3.1
235.13199	3.1
245.18942	15.2
255.17505	6.5
258.99789	2.3
263.20111	13.1
273.18497	36.3
291.19540	66.7
295.49698	2.7
309.20679	23.5
309.25461	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.40377	1.9
54.28713	2.0
55.01874	6.6
55.05511	32.5
57.03446	2.6
58.72314	2.3
67.05508	19.6
69.07066	11.3
70.74118	3.2
70.74444	2.7
79.05495	20.7
81.03430	2.7
81.07069	22.8
83.04960	4.6
83.08624	13.9
87.46965	2.1
88.13191	2.0
91.05495	15.4
93.07040	15.8
95.04977	8.0
95.08624	10.3
97.10162	17.0
105.07043	7.7
107.04964	3.6
107.08605	11.6
109.10159	6.2
111.04529	3.0
111.08073	3.3
117.07037	4.1
119.04944	2.7
119.08594	9.9
120.96481	2.2
121.06519	3.0
121.10152	5.5
123.08083	9.3
125.09635	17.9
129.06978	2.7
131.08601	5.9
133.10165	6.5
135.08072	5.6
135.11720	4.1
145.10078	3.3
147.08101	4.0
147.11720	3.3
163.11189	3.5
165.09256	4.0
171.10173	3.1
189.11237	10.4
223.13292	3.8
273.18481	13.0
291.19559	100.0
309.20682	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.60189	2.7
53.03949	3.7
53.80527	2.6
55.01878	15.4
55.05514	20.0
56.88892	3.0
57.03428	7.7
57.40804	3.0
67.05509	31.7
69.03433	3.5
69.07060	10.6
69.69376	11.5
69.69785	7.1
71.05009	6.1
79.05505	41.4
80.32618	2.6
81.03401	5.1
81.07060	80.2
81.39410	2.7
83.04993	32.4
83.08620	12.3
85.02890	7.2
85.06552	6.1
91.05492	18.7
93.07059	27.6
95.04996	14.4
95.08595	12.7
97.06541	6.9
97.10169	9.9
98.21516	4.2
105.07052	13.7
107.04940	7.1
107.08602	15.5
109.06522	13.4
109.10136	9.9
111.04447	41.2
111.08098	16.9
113.06004	8.6
117.07030	14.7
119.08591	36.0
121.06490	8.9
121.10156	14.3
123.08100	10.4
125.09661	6.6
128.06215	3.2
129.06990	8.7
131.08548	11.6
133.06454	2.8
133.10152	5.7
135.08061	12.8
135.11685	12.0
143.08553	4.7
145.10129	19.2
147.08066	18.9
147.67595	3.3
149.09607	6.7
153.12755	14.0
157.10153	3.8
159.11699	3.4
159.67882	2.8
161.09612	4.4
163.11192	22.6
165.09096	7.9
166.24594	3.2
173.09622	6.1
181.12254	21.1
189.11208	7.3
191.10684	18.5
209.11754	5.4
223.13231	6.8
227.12717	9.1
231.30649	2.7
249.14888	5.8
255.17525	5.1
273.18576	33.7
284.04269	3.3
291.19565	100.0
307.07947	3.1
329.68585	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	309.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47865	1.3
98.97605	4.7
101.00884	1.4
103.00638	2.4
115.00626	1.1
121.01637	1.4
129.60406	0.9
133.03476	1.1
135.03290	1.4
143.01869	1.4
147.03264	1.5
148.04776	1.6
157.01617	1.4
158.11787	1.2
158.99692	1.8
159.03232	1.1
170.99602	1.2
188.39322	1.1
239.06172	1.3
249.02626	1.4
249.06580	2.3
267.07410	2.0
295.86908	1.3
309.04047	100.0
309.07916	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	309.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27739	0.4
51.92424	0.5
56.05043	1.0
57.03448	0.6
69.03439	1.1
70.07878	1.7
83.05026	0.7
84.04513	13.1
84.05309	0.8
84.08144	1.3
85.02911	23.0
86.06068	1.0
87.04480	1.3
93.14046	0.5
93.48757	0.5
95.01332	2.1
102.05552	8.5
111.04491	3.0
112.03998	1.8
112.04792	2.6
113.02386	1.5
118.06534	0.9
120.08117	100.0
121.08518	0.6
130.05013	74.8
146.09712	1.3
147.04420	0.6
148.07581	0.7
160.07607	0.6
163.03969	0.8
166.76355	0.5
180.10214	41.7
184.13358	0.5
232.09727	3.3
249.12379	7.9
250.10828	1.6
277.11798	0.5
288.84637	0.5
292.11874	2.1
309.14465	33.5
310.12909	1.7
316.36368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.3
55.39351	0.7
57.03424	1.0
61.02925	1.3
64.45289	0.8
65.03936	2.6
67.05498	0.8
69.03423	6.2
70.98114	1.1
70.98440	0.8
72.65675	0.7
81.03442	3.3
83.04980	26.4
85.02903	10.7
95.04977	4.4
97.02886	3.0
99.04441	1.1
107.04960	1.0
108.44804	0.7
109.02856	4.8
111.04442	100.0
120.08112	1.9
123.04434	0.8
127.03922	2.2
130.05025	2.2
139.03886	1.1
145.04956	2.4
153.05481	1.1
163.03960	1.0
169.04962	2.0
177.05481	1.1
180.10147	0.8
237.07645	0.7
247.17702	0.7
255.08722	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	308.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33080	1.4
55.31564	1.6
56.96562	6.7
58.99858	5.5
67.05505	1.7
69.03422	3.1
69.20175	3.2
69.20580	13.6
70.06580	2.4
73.04776	2.3
73.92426	1.6
77.00903	4.8
79.05508	4.2
81.03418	11.5
82.01447	9.5
84.08147	2.6
85.02895	6.2
86.01498	1.9
89.03910	7.4
89.04424	1.9
95.04984	2.2
97.02885	3.7
98.20818	4.0
98.97588	5.9
100.02482	12.4
100.07634	2.7
101.00893	5.4
102.00963	1.9
103.02443	3.7
107.04957	26.0
108.05310	2.3
111.04460	2.6
113.00869	18.0
114.04050	4.5
115.02472	3.1
116.02553	1.8
117.03382	6.2
118.03534	3.9
119.01912	6.5
120.02029	2.4
121.01465	4.8
124.99125	2.7
127.02399	1.8
128.01645	1.9
128.16818	1.4
128.98663	1.9
129.03996	7.9
131.01906	31.8
131.04922	1.7
131.96242	1.6
132.05045	3.9
133.03500	4.4
134.03583	7.7
135.04387	11.8
135.05307	1.9
139.02403	40.0
141.12039	1.7
143.00136	3.7
143.01903	4.0
145.02850	6.1
146.03584	2.6
146.06087	3.0
146.08189	2.2
147.01320	1.7
147.05061	1.9
149.03069	1.6
153.03989	4.3
154.03592	2.0
155.01852	3.1
155.05505	6.1
157.03477	100.0
158.03542	2.2
161.03020	2.5
162.04051	5.3
163.03906	48.6
164.04321	4.5
164.10683	2.1
165.04016	6.5
167.01926	1.8
167.05466	2.0
169.03459	3.1
170.06715	1.8
171.04993	10.2
173.06641	4.3
175.04546	3.7
176.04721	3.9
178.00981	2.3
179.05550	6.1
180.05057	28.7
181.03444	4.7
181.07146	3.8
183.01431	4.6
183.05037	21.7
185.01331	1.8
189.06082	2.0
191.05537	36.0
191.07289	2.0
197.02948	2.2
197.06610	5.9
199.08183	2.9
201.06036	5.9
202.06236	16.1
204.04178	10.3
206.06532	1.9
207.05055	4.8
209.03125	2.6
209.06607	60.5
212.04761	2.7
215.04059	3.0
220.02176	2.3
223.08228	3.4
225.06114	7.2
230.05791	6.2
235.04585	8.8
244.02127	1.9
248.03209	2.2
248.06808	2.6
249.02934	2.2
249.06178	2.2
253.05614	5.7
261.03165	3.0
262.03204	24.1
263.02759	3.1
266.07791	3.5
267.04059	2.6
267.07199	9.3
285.08258	3.5
290.07953	10.3
291.03705	3.6
303.04245	2.4
303.09296	2.5
308.06384	4.1
308.09427	5.6
309.04929	3.7
326.10922	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	307.227
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03958	3.1
55.01861	4.5
55.05519	18.0
57.02422	1.4
57.03442	3.5
57.07077	2.9
59.05002	2.4
65.03943	2.4
67.05516	34.8
69.03446	2.8
69.07082	14.7
69.45084	1.2
70.73370	3.2
71.05005	23.1
73.06565	2.1
79.05503	31.0
81.03429	2.9
81.07066	41.8
83.04989	5.7
83.08621	7.5
85.06535	4.9
91.05493	28.8
92.03378	1.2
93.06482	2.1
93.07053	29.1
95.04973	9.0
95.08622	23.3
97.06551	12.3
97.10175	5.4
98.06084	1.8
99.04473	3.0
99.08107	7.5
105.04504	1.6
105.07050	34.4
105.07740	1.2
105.81227	1.2
107.04951	5.0
107.08614	20.6
109.05809	2.1
109.06534	29.7
109.10165	10.9
111.04456	100.0
111.08086	4.2
113.06030	1.3
113.09630	2.7
117.07020	7.8
119.08596	22.9
121.06521	9.6
121.10150	12.4
123.04503	1.5
123.08108	9.9
123.11730	5.9
125.05990	6.1
125.09669	7.4
127.11237	1.3
129.07014	4.5
131.08592	7.0
133.10124	15.3
135.08122	6.2
135.11708	5.4
137.06030	2.8
137.09653	9.6
139.07564	2.1
139.11148	2.0
139.37813	1.3
143.08588	3.7
145.10149	11.8
147.08025	1.8
147.11664	10.5
149.09654	8.5
151.11153	6.4
155.08586	2.2
157.10159	3.2
159.11690	7.1
161.09608	4.1
161.13258	4.3
163.11217	4.5
165.12735	7.0
169.10202	2.6
171.11720	5.4
173.13280	3.6
175.14789	1.3
187.11221	2.4
191.14293	1.5
191.17889	2.1
193.12326	1.8
201.12756	1.7
239.18008	2.2
247.20750	2.7
251.16493	4.8
257.19067	3.7
274.11163	1.4
275.20068	25.6
279.23190	3.2
289.18253	3.3
289.21634	6.2
307.14664	2.4
307.19543	3.2
307.22711	69.9
307.27966	10.2
308.23053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.18988	1.4
53.03945	6.2
55.01870	7.7
55.05515	38.9
57.03442	3.3
65.03952	2.0
67.05508	46.8
69.03435	3.2
69.07068	18.3
70.57557	5.4
71.04996	2.7
71.24477	1.6
79.05499	39.2
80.80388	1.8
81.03429	13.8
81.07059	41.3
83.04995	5.7
83.08619	36.3
85.06543	2.5
91.05482	29.2
93.07049	41.5
95.04979	18.6
95.08613	26.7
97.06532	9.9
97.10168	9.6
99.08115	2.5
102.70718	1.6
105.07031	25.3
107.04968	13.4
107.08597	28.6
109.06530	10.3
109.10160	13.9
111.08079	9.5
115.05371	1.7
116.99052	1.6
117.07034	14.7
119.08588	29.9
121.06513	7.0
121.10168	19.5
123.08064	8.4
123.11679	3.2
125.09621	13.0
129.07050	4.6
131.08583	20.1
131.85196	1.8
132.34897	1.6
133.06549	3.1
133.10159	18.7
135.08080	10.9
135.11687	10.9
137.05972	2.3
137.09633	8.2
139.11214	2.9
141.07060	2.0
143.08615	3.8
145.06514	2.1
145.10126	25.0
147.08067	2.8
147.11691	13.5
149.09625	29.7
149.13275	5.1
151.11201	7.3
153.09135	2.2
153.98114	1.6
155.08604	4.8
157.10133	4.5
159.07942	1.8
159.11682	15.2
161.09579	3.3
161.13272	6.2
163.11203	25.7
165.12727	9.4
169.10201	5.1
171.11714	4.8
173.09630	3.7
173.13306	6.2
175.11147	4.0
175.14964	1.8
177.12769	4.8
179.14333	3.0
183.11656	3.1
187.11099	2.0
187.14758	1.7
189.12732	2.6
191.14331	2.0
193.12283	2.1
197.13278	4.0
201.12753	1.9
211.14801	3.3
213.16420	1.7
215.14401	1.8
215.17926	2.4
224.49913	1.5
229.19553	6.4
233.15421	2.0
239.17931	17.8
245.35193	1.6
247.20587	4.5
249.82619	1.7
257.19037	24.8
257.43503	1.5
275.20081	100.0
276.20676	1.9
289.18100	2.8
289.21652	3.6
307.22714	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03937	6.2
55.01877	14.9
55.05282	2.1
55.05520	39.4
57.03444	8.8
57.07069	4.0
59.04990	3.0
65.03935	4.5
66.15936	1.7
67.05510	67.0
69.03414	3.7
69.07072	35.8
71.05000	11.7
73.06543	3.9
79.05495	56.8
81.03431	10.7
81.07063	97.0
83.04999	12.6
83.08617	15.4
85.06537	5.6
91.05486	55.7
93.06485	3.3
93.07050	46.0
95.04387	2.5
95.04979	46.4
95.08616	55.6
96.08881	1.7
97.06537	14.7
97.10165	7.5
98.06039	4.5
98.21507	5.8
105.07037	61.6
107.04968	9.2
107.08608	35.3
109.06518	26.3
109.09463	3.2
109.10161	27.6
111.04456	3.8
111.08074	8.4
115.05451	2.1
117.07022	18.0
119.08591	45.4
121.06519	11.1
121.10159	27.1
123.08075	28.4
123.11689	7.4
125.09650	5.3
129.06966	6.5
130.07808	2.0
131.08566	22.6
133.06516	2.5
133.10143	39.8
135.08060	12.7
135.11693	13.6
137.05997	5.1
137.09645	18.5
138.06299	3.5
139.07559	3.0
139.11224	3.4
141.06970	2.6
143.08580	4.0
145.06511	2.3
145.10152	21.4
147.08040	3.4
147.11700	25.8
149.09625	17.8
149.13245	5.1
151.11238	12.7
155.08565	3.2
157.10109	6.5
159.08043	3.0
159.11694	16.9
161.09618	3.3
161.13266	7.7
163.07555	2.6
163.11182	12.2
165.09109	2.6
165.12810	9.3
171.11684	5.6
173.13271	10.4
175.11183	3.4
177.12740	5.0
183.11696	6.7
185.13303	2.4
187.11227	2.1
187.14771	2.4
189.12727	2.0
197.13281	3.1
197.51103	2.0
201.12737	5.1
205.15915	2.6
207.13817	4.8
219.13953	3.3
219.17474	2.3
229.19507	6.1
233.15471	2.2
239.17941	4.7
247.20583	12.8
251.16434	2.3
257.19073	13.2
271.17108	2.9
275.20087	100.0
276.20648	2.0
289.17987	7.1
289.21622	13.6
307.14185	3.7
307.19305	4.4
307.22690	59.8
307.28165	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
51.35341	1.1
53.03933	3.3
55.01870	8.9
55.05517	19.3
57.03428	3.1
57.07063	2.4
67.05183	2.0
67.05510	22.0
69.03427	2.2
69.07076	14.4
71.04976	3.4
71.49752	1.7
71.50130	1.2
72.04495	1.1
79.05495	17.6
79.05928	2.0
81.03403	1.8
81.06595	2.0
81.07056	36.1
83.04985	3.4
83.08633	9.1
84.47662	1.1
85.06545	3.5
91.05478	10.5
93.07043	19.8
95.04969	12.1
95.08058	1.6
95.08617	15.9
97.06531	9.0
97.10155	4.7
99.08069	1.8
105.07033	15.8
107.04963	3.6
107.08605	11.1
107.18295	1.1
109.06522	92.0
109.10157	8.9
111.04446	1.8
111.08088	2.5
115.05405	1.1
117.07011	5.9
119.08580	12.5
121.02903	1.2
121.06525	7.6
121.10158	7.2
123.08054	8.8
123.11684	2.1
125.09653	2.3
129.06941	1.2
131.08585	8.5
133.06546	1.4
133.10158	7.7
135.08073	7.5
135.11687	4.1
137.05991	3.0
137.09596	4.3
139.11171	1.7
143.08540	1.5
145.10152	7.9
147.11676	5.5
149.09604	7.2
149.13322	1.4
151.11214	2.1
155.08591	1.5
159.11671	2.9
161.09653	1.3
161.13258	3.2
163.07498	1.3
163.11198	4.8
165.12764	7.3
169.10127	1.8
173.09583	1.8
173.13271	3.0
175.14780	1.2
177.12804	2.3
187.14778	1.9
189.12740	1.4
191.10565	1.4
191.14296	2.8
193.12315	1.4
203.12691	1.5
219.13815	1.5
233.15405	3.3
247.20518	2.6
251.13901	1.9
251.16441	25.2
257.18909	1.6
261.13925	2.1
261.22098	1.3
265.18127	1.5
271.16974	2.0
275.20090	10.2
289.18054	6.9
289.21625	13.6
291.23370	1.6
306.41080	1.1
307.19608	4.5
307.22690	100.0
308.22882	1.3
308.25958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.7
53.75193	4.8
55.01880	58.4
55.05516	31.6
67.05510	67.0
69.03446	5.1
69.07078	47.5
69.45551	35.5
69.45856	4.3
79.05493	49.3
81.03431	28.7
81.07069	70.8
83.04981	13.6
83.08627	18.6
90.26697	5.5
91.05483	50.3
93.07056	56.2
95.04989	18.9
95.08624	41.1
95.34133	5.1
97.06540	100.0
97.10143	10.5
102.63837	4.7
103.05397	4.8
103.77004	4.8
104.89587	5.0
105.07038	68.0
107.04948	29.3
107.08610	32.1
109.06575	9.3
109.10161	9.1
111.08126	4.7
117.06989	23.0
119.08579	29.8
121.06528	7.9
121.10144	17.1
123.04533	5.4
123.08053	8.4
125.09634	16.7
131.08586	28.7
133.10132	34.8
135.08063	8.5
135.11688	17.9
143.08659	5.0
145.06474	6.0
145.10120	17.8
147.11681	18.4
149.09613	27.2
149.13292	7.1
151.11227	5.8
159.11716	21.4
161.13274	7.0
163.11186	13.3
177.12801	9.2
179.14316	17.2
187.11256	9.2
203.12817	8.4
206.99951	4.9
247.20511	6.6
249.49748	4.8
257.19040	15.2
275.20105	77.2
307.19553	5.9
307.22632	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.99779	2.2
53.03943	6.0
55.01877	27.8
55.05275	2.9
55.05517	32.0
55.49289	2.1
57.03423	5.7
60.20811	2.4
62.01616	2.3
67.05508	54.9
68.14744	2.2
69.03416	6.0
69.07077	26.1
69.90346	12.3
71.04998	3.6
79.05077	3.5
79.05496	50.3
81.03410	8.0
81.06599	4.6
81.07061	76.7
83.04971	9.3
83.08625	12.7
85.06525	4.9
91.05490	39.8
93.06480	4.1
93.07046	52.4
95.04978	25.7
95.08614	34.6
97.06535	33.7
97.10159	12.3
105.07036	47.5
107.04975	14.1
107.08606	38.6
109.06526	19.0
109.10165	17.3
111.08096	5.3
117.07037	14.8
119.08589	28.5
121.02847	3.4
121.06522	12.6
121.10117	20.2
123.08064	13.0
123.11710	5.7
125.09623	9.0
127.50077	2.2
129.06985	3.7
131.08575	20.0
133.10136	28.7
135.08089	13.1
135.11687	13.6
137.05925	3.9
137.09593	10.0
137.13271	3.9
139.07623	2.4
139.11182	3.4
143.08577	3.6
145.10141	19.8
147.08093	3.6
147.11679	23.6
149.09578	20.6
149.13281	5.4
151.11157	7.0
153.09079	3.4
157.10094	5.6
159.08095	4.5
159.11757	13.3
161.09558	4.5
161.13243	6.9
163.07559	5.2
163.11200	14.7
165.12741	9.4
173.13243	10.8
177.12813	3.5
179.14342	2.9
187.11116	3.9
187.14757	2.8
193.12263	3.1
197.13202	4.1
199.14777	2.8
201.12799	3.1
203.12726	3.9
213.16428	3.2
229.19467	5.3
231.17303	3.5
232.14978	2.2
239.18077	5.3
247.20578	11.3
257.18893	11.3
275.20093	100.0
289.17966	11.2
289.21356	12.1
307.15533	2.8
307.19077	12.4
307.22650	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	2.5
55.01881	5.7
55.05275	1.3
55.05515	16.5
57.03411	1.6
57.07067	2.6
59.04979	1.0
65.03938	1.8
67.05507	35.2
69.03410	3.5
69.07070	27.3
71.04976	2.1
71.34084	1.8
79.05494	28.1
81.03416	1.6
81.07060	39.7
83.04987	8.8
83.08626	6.1
85.06534	1.8
86.74674	0.9
91.05482	21.9
93.07050	30.3
95.04976	10.5
95.08614	25.3
97.06532	5.2
97.10172	4.3
99.08041	1.0
99.16191	1.0
101.06052	1.0
103.05400	1.2
105.07030	29.2
107.04961	7.8
107.08604	20.6
109.06516	14.0
109.10159	12.4
111.08078	1.3
117.07021	8.3
119.08578	19.3
121.06495	13.9
121.10154	9.5
123.04440	1.0
123.08100	6.5
123.11691	3.4
125.09618	2.5
128.06140	1.0
129.06972	2.1
130.07838	0.9
130.87979	0.8
131.04945	0.9
131.08565	18.7
133.06458	3.8
133.10146	23.7
135.08051	6.4
135.11658	5.2
137.05980	2.8
137.09596	3.4
138.06320	1.1
141.06961	1.7
143.08524	2.7
145.06497	2.2
145.10130	12.9
147.08026	3.8
147.11697	14.6
149.09628	8.4
149.13229	4.0
151.11192	9.3
155.08542	3.1
157.10130	4.1
159.08058	3.3
159.11699	10.1
161.09616	3.5
161.13246	3.3
163.07465	1.3
163.11194	7.8
165.12738	2.0
169.10101	2.0
171.11688	3.6
173.09598	2.2
173.13228	7.7
175.11154	2.9
177.12756	2.3
183.11676	2.7
185.13228	1.0
187.11201	2.8
191.14345	4.1
193.12360	1.1
197.13286	2.4
199.14615	1.0
201.12810	4.4
207.13786	4.9
213.16354	1.8
215.14284	1.4
215.17953	2.1
219.13785	7.4
219.21243	0.9
229.19484	2.5
233.15437	2.5
239.17932	4.1
247.20633	4.3
251.16440	1.1
257.18988	17.0
261.13943	1.2
275.20078	100.0
276.20428	1.5
289.17993	3.6
289.21579	5.8
307.19537	2.2
307.22678	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	307.1904
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
51.02377	1.3
53.03936	5.2
55.01875	16.1
55.05511	39.4
57.03429	4.7
57.07074	1.7
64.14524	1.2
65.03935	2.0
67.05508	23.9
69.03413	5.2
69.07070	15.7
69.85494	6.8
71.04981	4.8
77.10828	1.1
79.05497	38.4
81.03413	4.0
81.07061	35.4
83.04980	7.5
83.08621	16.7
83.42390	1.4
85.06540	2.3
89.67190	1.5
91.04911	1.6
91.05484	29.2
93.07045	53.0
95.04974	10.0
95.08607	13.0
97.02857	1.4
97.06525	7.2
97.10177	23.6
103.05490	2.5
105.07038	17.9
107.04948	13.2
107.08597	37.7
108.41908	1.4
109.02889	5.4
109.06523	13.3
109.10155	9.4
109.79799	1.3
111.04436	3.5
111.08100	3.3
115.05423	2.0
117.07028	14.4
119.04932	2.1
119.06092	1.2
119.08591	21.8
121.02884	11.6
121.06516	12.6
121.10133	4.0
123.04425	6.9
123.08058	3.9
123.11691	2.6
125.02283	2.8
125.09641	17.5
128.06207	1.9
129.07011	4.3
131.04933	2.0
131.08591	9.6
133.06483	5.4
133.10143	9.7
135.08058	86.2
135.11668	3.6
137.05995	2.8
137.09589	7.8
139.07553	3.5
143.08569	4.7
145.06494	8.7
145.10130	5.9
147.08026	7.0
147.11719	3.5
149.06009	2.0
149.09644	6.6
151.07547	2.9
151.11243	1.6
153.09126	7.1
155.08551	2.8
157.10153	2.4
159.08072	8.5
159.11710	3.5
161.09607	5.9
163.03880	4.1
163.07549	63.1
163.11234	2.3
165.09161	2.6
165.12770	2.1
169.10110	2.1
171.11707	2.1
173.09650	4.2
173.13158	1.6
175.11165	2.0
177.09126	5.3
179.10678	3.1
181.08575	1.6
183.11752	2.1
185.09671	1.2
187.11208	2.7
189.09164	2.1
189.11229	5.6
189.12732	1.9
191.10719	7.9
193.12236	20.1
201.12776	2.2
211.11218	1.6
211.14830	1.3
219.13783	2.4
221.11700	2.1
225.16475	2.1
239.12788	1.5
243.17465	11.9
253.15852	4.2
261.18494	12.8
263.16470	3.7
271.16901	22.1
289.18005	100.0
289.21274	4.6
290.18188	2.4
307.14896	3.1
307.19052	48.6
307.22211	1.7
312.38025	1.2
327.78577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.41652	2.1
53.03949	5.6
55.01871	13.6
55.05518	31.5
57.03428	7.2
57.07070	2.9
59.04990	2.5
59.91496	1.9
60.93743	2.0
61.38634	2.0
65.03942	4.7
66.44393	2.1
67.05505	66.0
69.03417	5.4
69.06730	2.8
69.07071	25.9
70.28654	7.8
70.89691	1.9
71.04985	5.0
79.05498	51.1
81.03419	8.3
81.07059	94.8
81.07539	4.6
83.04993	11.6
83.08613	16.4
85.06541	6.3
89.60797	2.3
91.05479	51.2
93.07048	48.5
93.07642	2.8
95.04967	33.8
95.08604	44.6
97.06525	17.7
97.10156	6.1
99.08128	2.4
105.04498	2.6
105.07037	54.3
107.04967	10.7
107.08599	32.1
109.06518	23.0
109.10147	28.1
111.08089	6.0
117.07005	14.6
119.08581	45.1
119.09377	3.8
121.06499	13.5
121.10146	25.9
123.08073	17.0
123.11697	8.1
125.09647	6.6
129.07004	4.0
131.08569	21.3
133.10139	41.5
135.08072	17.5
135.11653	13.3
137.05952	7.4
137.09613	20.3
138.06334	4.1
139.07591	2.8
141.07021	2.8
143.08563	6.0
145.10143	20.2
147.08063	5.1
147.11690	25.0
149.09637	17.5
149.13277	6.2
151.11198	12.6
155.08548	4.6
157.10123	3.5
159.11708	17.8
161.09601	3.8
161.13269	7.4
163.07530	4.4
163.11209	11.8
163.12379	2.2
165.12752	8.6
169.10100	4.5
171.11690	5.0
173.09639	3.7
173.13301	10.3
175.11182	6.0
175.14810	3.4
177.12764	5.4
179.10622	2.2
183.11742	4.1
185.13295	4.2
187.11160	3.1
187.14893	2.9
193.12277	3.4
195.75903	2.3
197.13286	4.1
201.12732	2.9
207.13782	2.5
219.13882	3.8
229.19543	4.1
239.17871	4.5
242.34506	2.0
247.20554	14.3
257.19025	12.7
261.18546	3.2
275.20050	100.0
287.23941	2.3
289.18045	9.9
289.21616	6.8
307.14352	4.3
307.19238	5.4
307.22690	38.2
317.50549	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03942	6.0
55.01883	7.6
55.05518	17.6
57.03442	17.1
65.03942	2.0
66.88662	1.5
67.05509	34.4
68.99774	1.6
69.03437	26.3
69.07082	10.1
70.97503	1.3
71.05008	4.1
76.67039	1.4
79.05026	1.5
79.05497	34.4
81.03419	9.8
81.07062	34.6
81.81213	1.3
83.05000	12.3
83.08626	7.2
85.06546	2.8
89.03928	5.8
91.05489	33.2
93.07052	33.9
95.04967	20.0
95.08617	19.9
97.02931	1.8
97.06530	16.1
97.10172	3.7
99.04461	2.5
103.05473	3.9
105.04565	1.6
105.07050	24.4
107.04969	14.2
107.08590	21.7
109.02876	3.0
109.06528	14.4
109.10154	12.7
111.08079	11.2
113.06020	2.2
115.05479	2.0
117.03387	7.2
117.07026	16.0
119.08581	16.2
121.06506	13.1
121.10159	10.5
123.04461	4.0
123.08069	5.5
123.11700	1.7
123.26555	1.6
125.09621	3.6
127.03902	8.0
127.07574	1.4
128.06252	3.3
129.06981	5.3
131.04941	2.0
131.08565	17.7
133.06468	8.4
133.10144	17.8
135.04416	17.0
135.08055	20.9
137.05991	4.6
137.09657	2.7
139.07561	4.2
141.06989	2.6
143.08583	4.6
145.02844	8.0
145.06508	5.2
145.10117	8.8
147.08066	5.4
147.11679	5.9
149.05988	1.5
149.09637	17.1
151.07565	2.5
151.11180	6.6
155.08551	4.5
157.10121	5.5
159.08057	13.2
159.11736	4.3
160.08914	1.6
161.09628	5.5
163.03917	100.0
163.07501	8.4
163.11192	3.1
165.09183	2.7
169.10117	3.7
169.12180	1.9
171.08015	1.8
171.11708	4.0
173.09674	7.1
173.13275	2.5
175.11153	2.7
177.09125	9.3
179.10603	2.4
181.10075	1.6
182.10829	1.5
183.11649	1.6
187.11226	2.0
191.10696	3.4
193.10318	1.5
193.12233	6.6
195.10190	4.9
197.13255	2.9
199.11131	2.4
207.11768	2.2
215.14392	4.8
217.12303	1.7
219.13846	1.9
220.12686	1.5
221.11676	2.0
225.16409	3.0
233.15401	4.4
243.17529	5.5
253.15887	2.9
261.13931	1.8
261.18484	11.0
263.18060	2.5
271.16885	13.3
275.20184	1.9
289.17975	62.4
290.18173	1.7
307.08316	4.9
307.14648	1.9
307.18945	39.9
308.18823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
53.03936	3.9
55.01872	28.8
55.05515	37.4
57.03436	6.4
57.07058	1.9
57.33906	1.6
57.78168	1.7
59.04996	1.9
65.03943	1.8
67.05506	26.0
67.16688	1.7
69.03428	6.6
69.07073	13.8
70.78329	2.2
70.78673	3.1
71.05002	9.8
79.05075	2.8
79.05499	38.7
81.03409	6.6
81.07059	40.0
83.04985	14.3
83.08623	21.3
85.06557	2.7
89.60881	1.6
91.05485	29.8
93.07048	32.9
95.04977	12.8
95.08620	14.2
97.02891	5.9
97.06532	23.4
97.10172	25.6
97.99155	1.7
105.07038	19.4
107.04959	8.1
107.08604	24.5
108.72588	1.6
109.02901	2.9
109.06510	22.6
109.10158	10.1
110.03666	3.1
111.04445	4.8
111.08095	5.2
113.06017	2.5
115.05463	2.3
117.07038	10.2
119.08591	19.1
121.06507	58.6
121.10134	8.4
122.03631	3.0
123.04459	3.7
123.08080	10.8
123.11686	9.5
125.02367	4.4
125.09621	18.5
127.07553	10.1
131.08588	6.8
132.27055	2.2
133.06525	2.8
133.10156	9.6
135.08061	22.8
135.11711	10.8
137.05978	23.1
137.09630	9.2
138.06302	14.3
139.07545	100.0
141.06917	1.7
143.08514	2.5
145.06505	6.7
145.10118	9.0
147.08081	4.5
147.11681	4.4
149.06029	2.3
149.09607	4.2
151.07565	15.0
153.09120	7.2
153.12759	7.4
155.08482	2.1
159.08086	3.4
159.11671	2.8
161.09607	5.0
163.07547	28.7
163.11194	14.7
165.09079	3.5
171.10231	2.0
171.11662	2.9
173.09616	3.5
181.08640	3.7
181.12294	5.1
187.13264	4.3
189.11247	14.0
191.10683	8.1
193.12248	68.9
219.13872	10.0
233.15169	1.9
237.14694	2.1
243.17502	7.2
253.15930	4.3
261.11115	2.1
261.14075	2.4
261.18506	24.5
271.17056	12.5
275.20032	5.8
281.38895	2.4
289.17987	96.3
307.14777	4.1
307.19049	53.7
307.22739	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03940	4.5
54.91042	2.3
55.01676	2.0
55.01872	23.3
55.05511	35.8
55.27172	2.5
55.28079	2.4
56.47894	2.3
56.94290	2.8
57.03431	2.6
57.07045	3.2
58.42594	2.2
65.03932	4.7
67.05499	31.5
69.03435	6.8
69.07050	10.7
70.03555	11.2
71.04983	3.8
71.55293	2.5
79.05498	52.3
81.03414	6.4
81.07059	100.0
83.04970	6.3
83.08605	10.3
91.05481	37.1
93.07048	27.8
95.04956	10.2
95.08607	13.0
97.02879	4.0
97.10169	14.0
105.07031	24.9
106.68184	2.5
107.04963	33.5
107.08588	19.6
109.02901	19.8
109.06516	31.7
109.10143	7.1
111.08083	4.2
115.05449	5.7
117.07026	18.9
117.46449	2.4
119.08601	27.4
121.02860	6.8
121.06532	7.4
121.10161	3.0
123.04429	4.7
123.08065	7.5
125.09631	10.6
128.06215	3.6
129.07005	8.0
129.70200	2.6
131.08588	13.8
133.06482	6.4
133.10118	17.0
135.04396	2.8
135.08069	40.5
137.05975	5.2
137.09613	8.5
138.06314	3.0
143.08559	9.4
143.27641	2.5
145.06436	7.2
145.10123	7.0
147.08022	7.4
149.09583	4.4
153.09091	6.5
155.08545	4.4
157.10118	3.3
159.08067	10.5
159.11665	4.0
161.09622	15.0
163.07559	17.6
163.11206	2.6
165.09119	3.4
169.10152	4.5
171.08076	3.8
173.09625	8.3
175.11163	5.3
179.10715	20.7
183.11703	3.1
187.11229	3.5
189.09117	7.7
201.12689	2.7
207.10184	4.8
225.11205	3.4
225.16339	3.3
233.18970	2.9
243.17426	24.5
261.18549	18.6
265.99112	2.7
267.99982	2.8
271.16885	9.3
287.38083	2.7
289.17981	59.3
289.21252	3.0
307.14694	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.02357	6.3
53.03945	14.9
55.01860	24.0
55.05513	57.1
57.03443	80.5
67.05508	71.7
69.07063	28.8
69.83938	34.2
79.05502	80.7
81.03412	11.4
81.07058	100.0
83.04990	77.5
83.08615	15.4
85.06496	7.8
91.04965	12.0
91.05487	94.4
93.07046	88.2
95.04978	24.1
95.08614	55.4
97.06536	19.2
97.10155	15.2
99.04463	7.5
105.07048	57.9
106.99507	7.7
107.04972	88.7
107.08573	45.7
109.06529	46.2
109.10184	27.3
111.04436	38.5
111.08086	12.9
117.07030	30.2
119.08573	54.5
121.06514	19.1
121.10159	13.4
123.08074	21.3
123.11704	10.3
125.06001	9.4
125.09637	11.5
128.06226	8.2
129.07025	16.5
131.08560	36.8
133.06483	17.3
133.10175	39.8
133.48907	6.6
135.08064	32.2
135.11739	13.8
137.05969	38.6
137.09622	10.4
138.06342	17.7
141.07022	12.9
143.08643	10.7
145.06487	12.5
145.10133	22.6
147.08086	13.7
147.11699	16.9
149.09644	12.6
151.07504	6.7
151.11159	10.4
155.08559	13.0
159.08049	18.7
159.11714	22.5
161.09596	15.7
163.07602	14.8
163.11198	20.9
165.09088	9.1
169.10138	13.8
173.09631	10.3
173.13234	14.8
177.09142	8.0
177.12793	27.1
187.11159	11.8
187.14769	8.4
197.13297	7.9
199.10884	7.9
205.15883	16.9
215.14407	7.3
233.15367	61.1
243.17262	8.8
253.15855	8.9
261.18488	29.8
271.16995	21.5
275.20035	59.7
289.17981	85.1
307.14630	14.1
307.19125	23.2
307.22824	31.8
325.10229	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	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.01429	0.6
50.01668	0.6
53.03946	0.8
55.01861	1.7
58.83328	0.6
61.74250	0.6
62.21611	0.6
64.31464	0.7
69.03417	0.9
69.35946	4.4
81.03426	5.8
93.07010	0.8
98.06053	0.7
98.21494	1.3
107.04931	0.7
107.08583	1.0
108.04474	1.3
109.02888	1.0
122.06011	2.5
135.04387	0.9
135.08051	1.6
136.07591	0.8
140.07043	2.4
145.02832	0.9
157.08913	0.6
160.07570	1.6
162.09137	0.7
163.03905	7.3
168.06561	2.0
174.09128	1.8
177.10237	1.5
178.08638	14.3
184.07555	1.3
187.08783	0.9
188.07021	3.7
191.08189	1.4
198.09113	1.8
199.04976	0.6
201.10292	3.5
202.08673	4.9
204.10193	0.8
205.09668	4.4
206.08141	2.6
212.06934	1.0
216.10173	2.4
219.07733	1.4
219.11258	4.6
220.09637	1.6
226.08606	1.6
229.09821	5.0
230.08138	4.0
243.11282	2.7
244.09660	3.1
247.10773	11.1
248.09117	1.5
261.12268	0.8
262.10739	1.9
265.11832	13.4
271.10733	2.2
272.09222	1.0
289.11844	14.6
290.10406	1.1
307.12881	100.0
308.13181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Mikanialactone
Peak:m/z	Relative Intensity
53.03938	13.7
55.01877	16.2
55.05510	63.1
57.03426	35.9
64.48241	12.1
67.05515	75.3
69.07058	24.2
71.50813	21.4
72.32865	12.5
79.05500	100.0
81.03391	19.9
81.07050	94.4
83.04976	53.1
83.08617	41.5
91.05499	72.2
93.07049	74.6
95.04970	29.1
95.08627	64.0
97.06539	22.5
97.10152	17.2
105.07043	56.1
107.04948	75.8
107.08598	47.3
109.06509	39.4
109.10139	24.1
111.04463	24.7
114.41475	14.3
117.06985	28.0
119.08588	35.3
121.06490	17.8
121.10162	29.7
123.08072	16.0
131.08530	35.1
133.06512	13.3
133.10143	25.8
135.08040	33.4
135.11656	26.3
137.09604	17.2
143.08566	15.8
145.10123	37.4
147.08066	20.0
147.11656	23.3
149.09650	21.4
151.07574	16.1
159.08086	15.6
163.11209	20.9
165.12709	19.9
169.10095	15.5
177.12708	24.5
233.15352	27.0
243.17332	20.9
261.13855	38.6
261.18549	38.5
271.16888	19.5
289.17966	74.1
307.11005	13.8
307.14331	60.8
307.19055	39.2
307.22751	24.9
307.28070	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	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94745	10.2
69.74691	45.1
70.83407	8.3
96.93851	9.2
100.26198	8.8
101.00883	26.5
110.72715	9.6
119.01913	15.7
143.01900	13.1
161.02942	18.3
173.03011	13.7
175.04420	12.6
203.04131	16.5
221.05048	21.9
247.02953	18.7
265.07764	18.2
307.07983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00115	3.8
55.01865	5.3
55.05507	4.5
56.37476	3.4
56.96563	14.0
57.03426	6.5
61.20259	3.7
69.03424	9.6
69.73095	22.4
81.03414	10.2
82.99833	15.0
85.01432	8.2
85.02922	22.1
97.01390	9.6
97.02876	11.6
98.97588	32.9
101.00892	99.4
103.00584	6.3
103.02435	12.8
109.02866	5.4
110.97595	10.6
113.00870	32.4
115.02454	33.1
116.98679	4.9
119.01064	4.8
119.01924	100.0
127.02422	16.7
127.03893	4.3
128.98578	6.3
129.03973	10.5
131.01910	52.7
133.03470	31.1
137.00800	8.7
139.02399	6.0
141.03978	5.1
142.01172	5.1
143.01901	57.8
145.03471	55.9
147.05028	6.0
149.02939	9.4
152.98631	5.7
155.01909	45.8
157.03471	60.3
158.99826	5.0
159.01294	5.2
159.05052	13.2
161.02977	59.9
163.02722	7.7
163.04002	5.6
168.99831	12.5
169.03491	8.2
171.05098	12.3
173.02995	33.7
175.04544	35.2
177.00945	8.5
177.02452	5.4
181.03543	5.2
185.02962	10.6
187.00897	21.0
187.04504	28.1
189.06062	7.8
196.99344	7.1
197.03008	4.5
199.04501	14.5
201.06003	6.6
203.04047	26.9
205.01971	8.0
205.03806	9.3
215.00357	28.1
219.01831	18.9
219.03612	10.6
221.05016	37.6
229.02122	9.0
229.05545	6.0
235.06569	8.3
237.02754	10.3
239.06067	7.2
243.02058	13.1
245.05078	5.8
247.03020	46.3
247.06688	75.5
253.07687	4.8
255.01950	4.9
261.03104	56.0
265.07803	88.7
289.04034	10.5
289.07513	5.9
305.10550	5.7
307.08749	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12948	0.3
53.09456	0.3
67.05531	0.3
69.07062	1.5
70.11341	0.8
70.11736	0.8
79.05500	0.8
81.07055	0.7
91.05483	1.0
94.04185	2.3
95.08602	0.5
97.06517	0.5
107.08583	0.6
109.10159	0.6
122.03661	7.8
133.10118	1.0
135.11714	1.3
137.05983	100.0
138.06328	0.7
151.11177	0.7
153.12752	1.5
170.15416	2.7
182.15443	2.6
220.61975	0.3
252.70818	0.4
257.44513	0.4
306.20746	0.7
319.51071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48602	2.9
56.96545	3.3
57.03429	6.1
58.99856	3.2
68.98280	3.4
69.03429	8.8
70.90479	5.2
70.90810	4.6
77.78532	3.3
81.03434	7.6
82.99848	17.0
85.01408	8.9
85.02906	17.1
94.99816	4.6
96.06644	3.2
97.01359	8.7
97.02890	11.9
98.97586	10.8
101.00887	100.0
103.02441	10.9
109.02875	3.4
110.97557	4.1
113.00878	28.0
115.02438	29.7
119.01924	73.5
124.25967	3.1
125.00846	4.3
127.02396	14.0
127.03917	4.7
129.03979	7.0
131.01915	41.1
133.03456	28.2
137.00829	8.4
137.03046	4.8
139.02452	7.9
141.03995	7.1
142.01132	4.7
143.01886	51.3
145.01691	4.5
145.03468	47.9
147.04984	7.6
149.02950	7.1
153.05905	3.2
155.01900	48.2
156.02605	3.5
157.03484	60.8
159.05028	17.0
161.02965	46.9
162.03181	3.9
163.02724	6.0
163.04529	11.3
167.01894	5.3
168.99843	12.7
169.03442	4.3
171.05009	7.0
173.02988	33.9
175.03088	5.0
175.04532	28.4
177.00972	4.3
177.02420	8.5
177.06036	5.0
181.03476	5.3
183.05132	3.7
185.02972	15.5
187.00902	28.2
187.02562	3.9
187.03062	4.3
187.04492	26.6
189.06064	5.7
196.99387	6.9
197.02901	6.0
199.04578	12.5
201.06134	9.2
203.04013	31.5
205.01973	7.2
205.03766	6.8
205.05586	7.5
215.00430	29.1
215.07677	3.7
217.02002	5.1
217.05588	3.4
219.01733	4.4
219.03578	10.3
221.05054	36.1
229.01974	19.8
229.05516	3.8
235.06717	3.9
239.05829	3.3
243.02011	5.4
245.05055	11.7
247.02951	44.1
247.06680	68.1
261.03091	16.7
263.06284	5.6
265.07733	98.0
277.07712	4.1
289.03955	4.2
289.07880	3.3
307.08426	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
52.34897	1.0
53.03918	4.3
55.01846	2.4
55.05511	16.8
57.07067	2.4
59.04967	1.1
64.61239	1.1
65.03909	2.3
67.05507	43.7
69.07070	18.3
69.16104	10.9
71.04971	2.5
72.04531	5.4
79.05495	72.8
79.09127	0.9
81.07059	56.9
83.04935	1.5
83.08617	10.1
85.06493	2.7
87.04441	1.0
91.05483	31.1
93.07047	100.0
95.04946	4.7
95.08611	40.7
97.06468	4.2
97.10115	4.5
99.08061	2.1
101.06007	2.4
105.04498	2.0
105.07021	19.9
107.08597	64.5
109.06460	3.0
109.09500	1.2
109.10155	17.2
111.08051	1.3
111.11730	1.1
117.06945	3.4
119.06037	1.0
119.08589	19.8
121.10148	49.9
123.08002	2.7
123.11701	4.9
125.09557	4.4
129.06952	2.9
131.08583	6.1
133.10133	19.4
135.08028	2.3
135.11693	62.0
137.09581	2.0
142.07726	1.0
143.08495	3.1
145.10136	8.2
147.07950	1.4
147.10728	1.2
147.11699	13.4
149.09534	3.4
149.13261	40.0
151.11035	1.3
157.10042	3.7
159.11642	7.2
161.13261	12.7
163.11191	5.1
163.14833	14.1
171.11565	3.6
171.15405	1.0
173.13174	4.2
175.11163	2.1
175.14836	8.7
177.12700	3.1
177.16292	3.0
185.13226	5.2
187.14790	1.6
189.12708	2.3
189.16296	1.0
191.14198	1.2
199.14691	2.6
201.16261	1.1
203.14218	3.6
209.15193	1.1
211.17387	1.0
213.16298	2.3
217.15703	2.0
217.19331	3.3
221.15149	1.1
223.16844	2.0
231.17380	1.6
231.20979	2.1
235.16843	2.3
241.19524	8.4
249.18367	1.9
259.20560	13.6
305.05051	2.0
305.24530	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01873	13.0
55.05506	19.2
57.03429	5.8
58.06583	3.5
59.05002	3.5
62.29513	2.0
65.03927	6.7
67.05508	75.9
69.03423	3.2
69.07072	11.5
71.04990	2.7
71.49556	3.2
79.05499	44.1
81.03420	6.2
81.07056	61.5
83.04967	5.9
83.08620	8.9
83.09862	1.8
85.06539	5.8
90.87621	1.9
91.04916	2.4
91.05485	54.8
92.05812	6.4
93.07037	33.2
95.04971	100.0
95.08611	21.4
97.06532	9.0
97.10147	4.1
103.05462	3.5
105.07027	28.7
107.04953	22.7
107.08592	23.6
109.06519	48.5
109.10156	8.7
111.08073	4.1
115.05482	4.4
117.07033	16.4
119.08585	25.2
121.06519	13.3
121.10156	13.0
123.04459	2.3
123.08071	6.9
123.11666	2.4
125.09639	15.3
129.07008	7.8
131.08582	20.4
133.06496	8.3
133.10110	9.2
135.08060	42.5
135.11693	5.8
137.06001	10.0
137.09589	2.7
143.08540	10.0
145.06480	3.6
145.10124	19.9
147.08064	18.2
147.11697	4.2
149.09576	10.8
149.13280	4.9
154.07712	1.9
157.10117	5.5
159.08060	3.5
159.11694	9.0
161.09616	11.4
161.13293	3.0
163.11209	5.9
165.12778	6.3
169.10184	2.7
171.11763	4.4
173.09694	2.8
173.13300	3.3
175.11258	3.0
177.12726	5.0
183.11757	2.3
185.13249	3.8
187.11232	4.6
199.11134	2.6
199.14819	2.0
201.12741	3.7
203.93347	1.9
205.12236	3.3
213.24115	2.6
217.15918	6.9
227.17892	3.4
245.18898	4.7
255.17542	4.4
273.18521	46.9
287.16330	2.1
287.19955	4.4
298.30368	2.2
305.05545	18.2
305.12805	5.7
305.17783	2.8
305.21075	43.6
305.30804	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	305.1495
Annotation	NSC 177499
Peak:m/z	Relative Intensity
55.01868	1.0
55.05513	1.2
57.03415	1.1
67.05488	3.7
69.03411	2.2
69.18238	7.8
70.06573	1.3
71.04993	1.8
71.28678	0.9
72.87377	0.9
74.06072	1.9
79.05478	4.1
80.04998	1.1
81.03411	2.1
81.07047	2.2
85.02892	3.2
85.06544	1.1
91.05493	2.0
93.07025	1.9
94.06587	4.5
95.04955	2.4
96.08132	1.3
97.00522	2.7
97.02877	1.6
97.06520	1.1
98.06051	0.9
107.04959	2.1
107.08593	1.8
108.08119	19.4
109.02853	1.2
109.06501	1.1
110.06059	4.3
111.02069	2.8
118.06558	6.1
119.04973	1.3
119.07359	5.7
119.33752	0.9
120.08100	10.8
122.06017	4.2
123.04431	1.9
123.06792	1.8
124.07590	11.9
125.09636	2.8
127.03890	1.9
133.10106	0.8
136.07585	100.0
137.02353	31.3
137.03419	3.0
139.03844	1.5
140.07045	1.4
142.06740	1.1
142.08636	9.6
143.07054	1.0
143.10690	2.9
144.08069	1.2
146.06010	6.7
146.08405	1.8
147.06792	1.5
148.07594	6.2
152.07043	2.4
153.01840	1.5
154.08621	3.9
160.07623	1.7
161.07112	1.7
163.03870	2.0
164.07074	40.6
166.08617	1.8
170.06015	1.2
170.08336	1.8
172.11139	1.1
173.10770	5.0
174.07864	1.5
178.08606	0.9
179.03293	1.1
181.08865	3.3
184.09955	1.4
185.10710	1.4
196.11290	1.7
197.10687	2.1
198.07820	1.9
198.11552	3.7
199.08719	1.7
201.10233	6.4
203.03455	1.3
211.08632	2.6
211.12344	1.2
212.09412	1.4
213.10297	6.2
213.13858	4.1
215.11891	1.0
223.12227	1.3
224.10651	2.7
225.10205	6.3
226.11038	10.0
239.11818	1.6
240.08794	1.7
240.12636	2.6
241.03761	1.0
241.09851	6.4
241.13374	25.7
254.10612	4.3
258.13547	1.4
259.05920	1.4
259.14423	27.7
269.12854	41.0
277.15463	1.9
280.91397	1.0
287.05447	2.0
287.10641	1.9
287.13895	45.8
288.14307	1.3
305.05649	7.2
305.11862	2.9
305.14957	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2635
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
53.03937	0.6
55.01864	1.0
55.05521	5.8
58.06593	1.6
65.03934	0.7
67.05141	1.0
67.05506	18.7
67.33746	0.5
67.89252	0.5
68.05859	0.7
69.07069	5.7
71.40938	1.3
72.04510	0.6
79.05494	6.2
81.06593	0.9
81.07061	14.5
82.06594	0.7
83.04981	0.6
83.08617	1.2
84.25420	0.5
85.05294	3.5
86.06071	0.9
91.05494	5.7
93.07048	5.9
95.04969	0.6
95.08612	9.2
98.06059	14.6
105.07015	2.4
107.08614	2.7
109.10152	3.4
110.09658	0.7
112.07602	1.4
119.08595	1.2
121.10139	2.0
123.11707	0.6
124.07516	0.6
133.10088	0.7
134.09682	0.6
135.11694	1.1
138.09181	1.0
140.10716	0.8
147.11609	0.7
149.13191	0.6
154.12325	1.1
168.13786	0.9
182.15549	0.9
194.15414	0.7
196.16988	0.9
208.17113	1.4
212.23631	0.9
222.18587	1.0
236.20071	0.8
304.05212	2.7
304.26367	100.0
305.26685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
56.96542	2.6
65.03920	1.2
67.01859	0.8
67.05477	1.4
68.99783	2.3
69.03428	1.3
69.07040	0.9
71.48238	1.5
76.25127	0.6
76.44306	0.7
79.05481	1.8
81.03394	2.2
85.02881	1.6
89.03902	2.8
94.06544	1.5
95.04964	1.7
97.06497	0.9
103.05494	0.9
107.04919	3.1
109.02843	1.1
110.06033	1.1
111.00795	0.9
117.03342	2.3
119.04955	1.3
121.02849	1.6
122.06017	1.3
123.04393	1.8
124.99081	1.0
127.03886	1.0
131.04909	1.0
135.04393	3.2
136.07550	1.5
137.02368	4.6
137.03268	0.9
137.06003	4.0
138.09082	0.9
139.09448	0.9
141.05472	0.7
143.00128	1.3
145.02814	2.7
145.06450	1.4
145.07571	0.8
146.08334	0.8
147.04332	1.4
148.07533	1.1
149.02278	1.3
150.03104	1.6
153.01819	7.7
154.06477	0.8
155.04794	1.1
155.07231	0.8
159.04390	0.8
161.05983	1.3
162.05521	1.8
163.03896	12.7
164.04221	1.1
165.01801	3.1
165.07051	1.4
167.03398	1.6
167.07013	0.8
168.00026	0.7
169.08797	0.9
170.09581	0.8
173.02319	1.5
173.05936	1.9
173.07208	1.2
175.03868	0.8
182.09702	1.2
183.02904	1.1
183.04422	1.2
183.09245	1.2
184.09802	1.3
184.11292	1.7
187.03873	1.7
191.03418	1.4
194.09624	1.8
195.09109	3.1
196.09941	10.5
197.10736	3.7
199.08498	1.1
201.01895	1.9
201.05420	3.9
205.07545	1.0
206.08392	18.4
206.10353	1.0
209.07048	1.1
209.10651	2.1
210.11530	2.2
211.12294	11.0
213.05412	1.1
213.10153	1.2
219.09081	1.0
220.10008	4.4
221.10698	9.1
223.08626	6.3
223.10635	0.8
223.11513	0.8
224.09456	6.6
226.10973	0.9
227.08282	3.4
229.01381	1.2
229.04961	11.0
229.13425	0.9
237.10213	4.6
238.11037	5.2
239.08090	1.3
239.11783	21.9
241.09584	2.0
247.02379	1.5
247.05884	0.9
249.02791	1.0
252.09026	1.3
254.10445	0.8
255.11288	1.3
257.00757	3.2
257.04443	6.4
257.12869	6.3
267.11288	38.7
272.11548	2.6
275.01825	3.1
275.05331	1.2
275.13751	1.8
285.00235	2.7
285.03601	1.5
285.12338	49.8
286.12540	0.8
303.01300	18.9
303.04916	100.0
303.13385	30.6
304.05109	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	303.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73268	1.9
62.21589	1.8
62.99653	2.0
68.99785	2.7
69.47677	12.3
70.06590	3.5
81.03439	3.0
91.05458	4.5
94.04158	2.6
95.04926	2.3
103.05440	3.7
107.04934	2.4
107.78205	1.8
109.02873	3.4
115.05468	1.9
119.04942	4.4
121.02852	2.0
121.06524	3.2
122.03617	6.9
123.04410	2.4
131.04906	3.0
135.04338	2.0
137.02377	2.4
137.05978	100.0
138.06467	1.9
144.10165	5.0
147.04424	2.7
149.05978	3.1
151.07538	6.1
153.01788	6.8
153.05579	1.8
153.06982	5.6
154.07884	2.0
160.07498	2.3
163.07530	2.8
165.01758	2.4
165.06996	9.4
167.07022	3.5
168.05688	3.2
169.06483	2.3
173.05930	1.9
183.08080	6.8
184.84673	1.8
196.05241	3.0
201.05424	3.9
211.07552	9.0
213.05434	2.5
225.08971	2.3
229.04919	7.6
239.06891	3.6
241.09718	10.8
243.10233	6.3
247.06058	3.3
253.08678	3.3
257.04477	4.3
267.11182	5.0
271.09775	12.5
285.00162	2.1
285.03790	3.7
285.12344	39.5
288.10001	3.0
303.01294	15.4
303.04922	84.1
303.13303	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01872	0.4
55.62978	0.2
64.43999	0.2
65.03948	0.4
65.72685	0.2
67.01869	0.3
67.05486	0.2
68.99799	2.0
71.34299	0.4
77.40526	0.2
81.03419	0.8
93.03391	0.7
95.04996	1.0
107.04972	0.3
109.02908	1.1
111.00818	1.5
115.05436	0.3
119.04922	0.3
121.02877	2.5
123.04434	0.8
127.03914	0.4
129.07002	0.2
131.04935	0.5
135.04396	0.3
137.02364	6.5
137.03413	0.4
140.02191	0.2
145.06480	0.6
149.02359	1.0
153.01843	10.5
155.04942	1.1
155.06061	0.3
159.04320	0.3
161.06009	0.7
163.03911	1.2
165.01848	3.7
166.02621	0.7
173.06001	1.9
177.05447	0.2
179.03346	0.3
183.02896	1.6
183.04449	1.1
187.03946	1.2
191.03339	0.3
191.07060	0.4
195.02940	0.5
201.05496	4.5
205.05020	0.4
207.02953	0.3
211.03835	0.3
215.03384	0.4
219.02931	0.3
219.06496	0.5
228.04153	0.7
229.04984	9.2
232.03630	0.2
239.03424	0.6
247.06198	1.0
256.03912	0.2
257.04459	4.8
274.04688	0.9
275.05432	0.3
285.03983	2.0
303.05014	100.0
304.05313	1.6
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	Quercetin
Peak:m/z	Relative Intensity
53.03942	0.2
55.01871	0.3
65.03928	0.6
67.01858	0.3
67.05501	0.3
68.99445	0.2
68.99790	2.6
69.03421	0.2
69.66148	0.8
69.66537	0.2
81.03408	0.7
93.03385	0.6
95.04952	0.6
105.03392	0.2
105.07030	0.2
109.02866	1.1
110.03671	0.2
111.00801	1.6
111.04385	0.1
115.05452	0.3
117.07018	0.5
121.02863	1.8
123.04433	0.7
127.03925	0.4
131.04913	0.5
133.02824	0.1
133.06500	0.2
135.04431	0.6
137.02344	7.3
137.03392	0.5
145.02824	0.3
145.06439	0.8
149.02342	0.8
151.03789	0.1
153.01825	10.4
154.65352	0.1
155.04924	1.3
155.06053	0.3
157.06561	0.2
159.04436	0.2
161.05975	0.8
162.29752	0.2
163.03914	1.2
165.01831	3.6
166.02611	0.6
173.02463	0.1
173.05983	1.6
177.01839	0.3
177.05475	0.3
179.03357	0.4
183.02869	1.2
183.04439	1.0
184.19960	0.1
185.05960	0.2
187.03926	1.0
191.03369	0.4
191.06987	0.3
195.02888	0.5
201.05457	4.1
205.04930	0.4
207.02943	0.2
211.03906	0.4
213.05530	0.2
216.04115	0.2
219.02991	0.2
219.06487	0.6
227.01703	0.2
228.04185	0.7
229.04962	8.8
232.03584	0.1
239.03346	0.4
245.04385	0.2
247.05943	1.0
257.04446	4.8
267.02905	0.2
274.04678	1.4
275.05481	0.3
285.03946	2.2
303.04977	100.0
304.05304	0.9
314.55383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01873	0.5
57.00210	0.1
64.47425	0.1
65.03941	0.6
67.01870	0.5
67.05503	0.4
68.99796	2.4
69.03442	0.2
70.25423	0.3
71.01366	0.1
77.03925	0.1
81.03424	1.0
81.22161	0.1
91.05489	0.2
93.03403	0.7
95.01345	0.1
95.04984	0.9
95.68349	0.1
97.02911	0.1
103.05482	0.1
105.03407	0.3
105.07022	0.1
107.01337	0.1
107.04935	0.2
109.02892	1.1
110.03657	0.2
111.00813	2.1
111.04420	0.2
115.05477	0.2
117.07036	0.3
119.04939	0.1
121.02878	2.4
123.04469	0.7
127.03945	0.6
127.05467	0.1
128.06229	0.1
129.07005	0.1
131.04942	0.3
131.94370	0.1
133.02837	0.2
133.06485	0.2
135.04427	0.6
137.02356	8.8
137.03401	0.6
139.03886	0.1
143.04973	0.1
145.02859	0.2
145.06496	1.0
147.04430	0.2
149.02361	0.9
151.03906	0.2
153.01839	11.6
154.02185	0.1
155.04922	1.1
155.06050	0.2
157.06544	0.2
159.04399	0.3
161.05977	0.8
163.03922	1.4
165.01852	4.3
166.02649	0.6
167.03386	0.1
171.03036	0.1
171.04433	0.1
173.02402	0.2
173.06006	1.6
177.01874	0.3
177.05434	0.4
179.03391	0.4
183.02899	1.4
183.04454	1.1
184.05135	0.1
185.06044	0.2
187.03926	1.3
189.05540	0.1
191.03395	0.4
191.07042	0.2
195.02896	0.5
200.04701	0.1
201.05478	4.9
205.04988	0.4
207.02898	0.2
211.03917	0.4
213.05508	0.3
215.03407	0.2
219.02916	0.3
219.06549	0.6
228.04204	0.7
229.04976	10.1
230.05351	0.1
232.03705	0.2
233.04504	0.1
239.03465	0.5
243.02896	0.1
245.04478	0.2
246.05235	0.2
247.06044	1.5
257.04474	5.5
258.05096	0.1
267.02921	0.1
274.04736	1.4
275.05420	0.3
285.03949	2.8
285.12421	0.1
286.04672	0.1
303.05002	100.0
304.05356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95518	0.2
55.01873	0.5
62.35966	0.2
64.06039	0.2
65.03952	1.0
67.01858	0.5
67.05479	0.2
68.99792	3.1
69.03408	0.3
69.60027	1.1
71.01330	0.3
81.03420	0.9
93.03402	0.7
95.04980	0.9
97.02897	0.2
103.05505	0.2
105.03416	0.2
107.04964	0.3
109.02887	1.1
111.00811	1.7
117.07016	0.6
121.02870	2.7
123.04435	1.1
127.03926	0.5
131.04918	0.4
133.02844	0.2
135.04402	0.9
137.02348	9.7
137.03384	0.5
145.06491	0.9
146.08974	0.2
149.02403	1.2
153.01840	13.5
155.04913	1.6
159.04362	0.4
161.06020	1.1
163.03949	1.5
165.01837	4.7
166.02637	0.7
173.05994	2.0
177.01900	0.4
177.05457	0.4
179.03397	0.4
183.02895	1.4
183.04437	1.3
187.03856	1.1
191.03424	0.3
195.02879	0.5
201.05479	5.2
203.15648	0.2
205.05017	0.5
211.03978	0.7
213.05547	0.5
215.03270	0.2
219.02927	0.4
219.06557	0.8
228.04185	0.7
229.04973	11.3
232.03738	0.4
239.03444	0.6
245.04594	0.3
246.05266	0.3
247.06044	1.5
257.04453	6.4
274.04736	1.4
275.05453	0.4
285.03940	2.6
303.05005	100.0
304.05368	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
65.03938	0.7
67.01848	0.4
67.05498	0.3
68.99799	2.3
69.03421	0.2
69.43296	1.5
73.80285	0.2
77.41996	0.2
81.03419	0.8
84.25117	0.2
84.64025	0.2
93.03397	0.7
95.04968	0.6
105.03420	0.2
109.02892	1.2
110.03670	0.3
111.00802	2.0
112.22237	0.2
117.07019	0.4
121.02872	2.4
123.04438	0.8
127.03925	0.3
131.04962	0.5
133.02870	0.2
133.06541	0.2
135.04453	0.4
136.36530	0.2
137.02356	8.0
137.03407	0.5
140.27788	0.2
145.02853	0.3
145.06502	0.9
149.02353	0.7
151.03891	0.2
153.01834	10.6
155.04912	1.2
159.04381	0.3
161.06007	0.8
163.03934	1.6
165.01859	4.5
166.02602	0.6
173.06003	1.6
177.01912	0.4
177.05582	0.2
179.03415	0.3
183.02884	1.7
183.04468	1.0
187.03928	1.1
191.03447	0.4
195.02887	0.4
201.05481	4.4
203.03316	0.2
205.04950	0.5
211.03842	0.4
212.41022	0.2
213.05531	0.3
219.02953	0.3
219.06615	0.4
228.04233	0.8
229.04968	10.6
232.03563	0.2
239.03436	0.5
245.04509	0.3
247.06071	1.6
257.04480	5.9
258.04947	0.2
274.04739	1.5
275.05453	0.4
285.03995	2.3
303.05005	100.0
304.05298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.24977	0.3
53.03939	0.3
53.89355	0.3
55.01861	0.8
58.35863	0.2
63.27369	0.3
65.03931	0.7
67.01849	0.3
67.05484	0.4
68.99786	2.0
69.03448	0.5
69.50527	0.5
69.50932	1.1
71.04959	0.3
72.35671	0.3
79.05489	0.3
81.03413	1.2
81.07033	0.3
83.57701	0.2
91.05482	0.7
93.03379	0.7
93.07018	0.3
95.04985	1.3
97.02901	0.5
98.52757	0.3
100.74805	0.2
103.05442	0.4
105.07054	0.3
107.04943	0.8
109.02896	1.6
111.00800	2.4
115.05419	0.5
117.07008	0.4
119.04905	0.5
121.02856	2.0
121.06458	0.3
123.00813	0.3
123.04405	1.0
125.02338	0.7
127.03909	0.5
129.07034	0.5
130.06535	0.5
131.04898	0.9
135.04395	0.7
137.02353	8.1
137.03407	0.5
137.05968	1.8
144.08113	2.1
145.02934	0.2
145.06459	0.9
149.02330	1.1
149.06035	0.5
151.07578	0.4
153.01831	9.2
153.06952	0.3
154.30414	0.3
155.04897	1.0
155.06035	0.3
155.69661	0.3
156.08247	0.2
159.04477	0.5
161.05994	0.7
163.03966	1.6
163.07516	0.4
165.01855	3.8
165.07011	0.9
166.02499	0.3
169.07599	0.7
170.08376	0.8
171.09186	1.2
173.02214	0.2
173.06009	1.4
179.03329	0.4
181.06432	0.4
183.02875	1.8
183.04446	1.1
183.08049	1.0
184.07700	0.4
187.03940	1.3
190.06343	0.2
191.03397	0.5
191.07091	0.3
195.02859	0.3
201.01747	0.3
201.05475	4.5
205.04991	0.3
207.02802	0.5
211.03973	0.5
211.07564	0.9
212.07074	1.2
213.05597	0.4
213.10239	3.4
215.03452	0.5
215.08304	0.3
219.06526	0.7
224.09387	0.5
228.04193	0.5
229.04974	9.2
237.10262	1.2
239.03458	0.8
239.07072	0.5
239.11655	0.5
241.09724	4.6
243.10185	0.7
247.02232	0.3
247.06017	0.9
255.11264	0.3
257.00674	0.5
257.04425	5.1
267.02872	0.3
267.11292	0.8
271.09729	0.6
274.04749	1.3
275.02151	0.6
275.05505	0.7
285.00687	0.5
285.03918	3.4
285.12354	14.6
288.09912	0.4
303.04984	100.0
303.13229	6.9
304.05310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.9
61.02935	1.6
69.43807	3.9
69.44211	2.2
75.78687	0.9
98.21613	1.0
98.97579	5.1
101.00904	4.8
116.98634	2.4
119.01920	6.8
137.02895	1.4
140.98856	2.5
142.03497	2.1
145.73769	1.0
158.99875	4.7
177.00961	13.4
178.93504	1.1
185.03024	0.9
186.98270	1.1
187.48207	1.0
187.98114	1.0
196.94627	3.2
200.98318	1.0
201.01009	3.4
202.93460	0.9
214.95697	2.7
217.95197	1.6
218.03760	1.1
218.95441	1.4
219.02016	36.3
220.94469	5.1
221.01901	2.3
223.01553	2.1
226.95599	3.0
227.95663	1.4
229.46130	2.0
238.46457	2.8
238.95554	35.8
239.46056	2.2
239.95778	2.8
243.01994	1.2
243.96132	1.0
249.97189	3.0
253.91623	0.9
256.96622	100.0
257.96683	4.4
258.96964	1.6
258.99973	2.0
259.97363	0.8
261.03122	8.6
261.97198	13.9
264.56015	0.8
268.94748	1.5
274.94302	4.3
274.97723	17.1
275.98026	1.0
276.93695	0.9
277.01059	1.6
279.98239	63.0
280.98328	1.9
284.98914	1.0
288.93973	1.0
292.95096	1.2
293.59210	0.9
297.99203	4.8
298.97873	4.9
300.26324	0.9
303.00061	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21943	0.3
69.66912	1.7
71.57742	0.3
73.30167	0.3
82.99874	0.8
93.84322	0.3
97.72810	0.3
98.97584	1.0
101.00887	3.7
119.01926	5.9
134.17979	0.3
137.02948	0.5
140.98824	0.8
146.86015	0.3
158.99936	2.7
177.00961	12.2
178.01062	1.0
179.00720	0.7
182.99898	0.8
201.00958	4.1
216.99307	0.3
217.04097	2.5
218.04080	0.4
219.02016	19.7
220.02142	1.4
221.01807	2.0
225.00842	2.5
236.99704	0.4
243.01991	12.7
244.02202	0.7
256.97336	0.3
258.99948	0.4
261.03070	100.0
262.03207	7.7
262.96725	0.3
263.03110	1.1
279.00900	0.6
280.05768	0.4
282.99976	1.4
284.04721	1.7
284.99847	3.6
285.04773	0.3
301.01044	2.2
303.00851	4.0
303.04974	3.1
320.97379	0.4
321.08307	0.4
321.22916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
56.05026	3.4
57.03416	2.0
67.01857	1.6
67.05498	6.2
68.05021	2.1
68.99775	3.1
69.03442	2.3
70.06575	3.9
70.92020	2.9
72.08160	9.9
79.05504	2.0
81.03434	10.1
81.07073	2.6
82.06586	2.2
85.02911	22.9
85.06525	1.4
86.09705	3.1
91.05489	12.3
95.04957	4.0
97.02905	12.7
102.05496	2.5
105.07044	2.2
107.04952	2.8
108.08115	6.2
109.02856	4.6
109.06505	2.0
119.05006	2.4
120.08139	3.0
121.06489	2.4
122.06097	2.5
123.04404	2.4
125.05994	2.8
126.05524	2.0
126.09190	2.3
127.03936	5.3
127.40058	1.4
128.07054	2.7
130.06532	2.8
135.04390	2.5
136.07564	6.6
137.02336	8.7
137.05968	2.4
138.05464	4.3
138.48381	1.4
140.07059	12.3
143.11787	4.2
145.04956	3.5
149.06041	3.2
151.03893	2.1
151.07542	4.2
152.07065	7.2
153.01820	9.0
153.06987	2.9
153.54742	1.5
163.03932	4.8
164.07074	7.1
165.01804	4.5
171.11209	2.2
173.05968	2.1
177.05513	2.6
178.08676	4.1
181.06482	4.2
182.06696	2.2
182.08150	28.4
198.06636	2.7
199.07391	3.6
200.09241	4.2
201.01788	1.7
201.05461	5.7
203.49519	1.6
206.08078	11.3
208.09792	2.2
211.07526	2.3
226.06233	3.6
226.10732	4.6
227.06845	4.2
229.04988	10.4
237.05469	3.1
241.09683	2.3
242.09021	1.8
243.10117	1.6
247.02368	2.1
248.09213	2.7
252.12369	8.0
257.04398	7.6
269.08109	3.1
270.08722	2.7
270.13327	12.0
275.01984	2.5
285.00388	2.0
285.03995	2.8
285.12234	5.5
302.04001	2.7
302.11374	35.9
302.16064	4.3
303.01364	13.0
303.04959	100.0
303.13211	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01874	35.5
55.05509	33.2
57.03166	3.1
57.03439	55.3
57.89270	1.4
59.04997	1.7
61.02916	4.0
67.05507	25.4
69.03428	7.1
69.07069	12.4
69.42461	1.4
70.04202	2.6
71.01335	1.7
71.04984	2.6
71.48969	1.9
73.02917	15.6
77.18298	1.5
79.05493	27.7
81.03415	5.5
81.07056	21.9
82.04195	8.8
83.04501	1.7
83.04988	23.5
83.08630	14.9
85.02899	3.0
87.04460	2.8
89.80544	1.4
91.05484	19.2
93.07048	15.6
95.04970	13.9
95.08591	8.4
97.02880	3.9
97.06530	11.1
97.10178	23.2
98.07320	12.7
99.08146	1.8
99.09379	1.6
99.77345	1.4
101.06026	4.1
105.07045	12.6
107.04964	3.5
107.08591	14.1
109.02893	1.6
109.06514	4.1
109.10146	6.2
111.04440	2.7
111.08076	4.3
113.06033	1.4
116.04713	42.1
117.07007	5.1
119.08621	8.9
121.06549	2.9
121.10130	5.3
123.08056	6.3
125.09632	22.9
129.05482	100.0
129.07037	4.5
131.08560	7.0
133.10191	8.0
135.08063	3.9
135.11664	4.7
136.08836	1.8
137.09618	2.1
143.07048	24.4
145.10097	5.3
147.08026	2.1
147.11671	7.3
149.09691	3.4
153.09059	3.2
153.12762	2.3
154.59508	1.4
157.08624	41.5
157.10043	7.2
161.05956	1.6
163.11157	3.7
164.11870	1.4
171.10158	13.3
175.11201	5.8
181.12163	3.7
185.11743	5.2
189.11226	25.7
193.12263	2.5
199.13261	11.3
200.14085	11.5
209.11737	1.7
210.12679	2.1
216.31775	1.8
217.04919	3.1
227.12820	11.1
241.08424	1.8
255.11205	2.7
301.03473	9.0
301.06818	2.5
301.11200	6.6
301.16495	39.2
301.21558	3.5
302.30130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08660	1.7
53.03953	3.2
55.01877	34.7
55.05514	38.9
57.03443	55.1
60.02133	2.8
60.17652	1.8
61.02920	2.6
67.05509	35.9
68.00533	2.3
68.15978	2.0
69.03422	7.5
69.07066	11.6
71.04996	3.8
73.02924	19.2
79.05087	2.5
79.05506	38.6
79.78609	1.8
81.03410	8.7
81.07060	27.1
81.18153	1.8
82.04218	5.3
83.04988	21.8
83.08612	12.0
85.02962	1.8
91.05492	24.3
93.07050	22.3
95.04961	15.0
95.08630	10.1
97.02898	4.9
97.06553	16.5
97.10184	23.1
98.07327	10.7
101.06011	4.1
105.07059	13.6
107.04950	8.1
107.08596	16.3
109.06528	4.6
109.10155	4.7
111.04423	3.8
111.08079	3.5
116.04718	45.1
117.07016	8.1
119.04954	3.0
119.08596	14.2
121.06509	3.6
121.10120	7.3
123.08089	5.3
125.09644	25.4
129.05493	100.0
129.06978	4.4
131.08565	8.6
133.10147	12.4
135.08081	4.9
135.11658	4.1
137.05888	2.6
137.09630	3.0
143.07069	19.8
143.08571	3.6
145.10110	6.9
147.08040	3.9
147.11685	8.6
149.09634	4.6
152.06151	2.7
153.07010	4.6
157.08611	41.3
157.10109	7.5
159.08012	2.8
159.11633	2.4
161.05946	2.8
163.11163	5.8
171.10201	18.0
175.11214	4.6
181.06487	4.0
181.12265	4.5
185.11801	4.0
185.13292	2.3
187.07533	2.3
189.05397	2.1
189.11221	25.6
198.06746	3.7
199.13354	10.4
200.14169	10.5
209.11711	6.3
213.09155	3.7
226.06229	3.6
227.12787	18.1
241.08623	6.6
245.04697	2.2
252.10052	2.6
258.05289	2.3
269.12775	3.3
301.03677	15.6
301.07050	4.3
301.10806	23.4
301.16537	44.1
301.21530	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02383	1.7
50.37256	1.4
51.78399	1.4
52.19886	1.4
53.03939	3.1
55.01874	34.7
55.05276	2.6
55.05516	36.3
57.03442	58.7
60.02150	1.7
61.02936	2.8
65.03943	1.6
67.05509	31.2
69.03432	7.0
69.07071	14.4
69.26038	15.2
71.01359	1.7
71.05006	3.0
73.02921	18.2
79.05498	34.6
81.03433	9.1
81.07059	26.5
82.04195	7.1
83.04990	18.4
83.08627	13.2
85.02899	1.9
85.06528	2.8
87.04482	2.4
91.05482	22.7
93.07047	23.3
95.04980	14.8
95.08606	12.0
97.02913	3.7
97.06540	13.0
97.10177	20.0
98.03640	1.8
98.07320	10.7
98.21488	2.9
101.06029	3.1
105.07038	15.7
107.04949	5.6
107.08593	18.9
109.06526	5.7
109.10159	11.3
111.04463	3.7
111.08074	4.5
115.07590	2.4
116.04720	40.3
117.07045	3.2
119.08588	12.7
121.06523	2.7
121.10151	10.0
123.08080	8.0
125.09638	23.9
129.05489	100.0
129.07027	5.2
131.08572	8.5
133.10133	12.9
135.08061	6.2
135.11719	8.0
137.09615	8.9
143.07057	22.1
144.41646	1.4
145.10168	5.2
147.08072	2.1
147.11679	10.6
149.09630	3.5
150.44852	1.7
151.11087	2.3
153.09146	3.5
157.08640	37.6
157.10118	6.9
163.11192	6.4
164.11983	2.8
165.12723	2.8
171.10170	14.4
173.09703	1.9
175.11159	3.9
181.12276	3.7
185.11848	5.0
189.11241	22.8
190.87386	1.6
191.10687	2.2
191.14325	7.2
193.12263	3.9
199.13298	8.3
200.14098	8.7
204.54518	1.5
209.11798	2.4
210.12415	1.8
213.14882	1.8
227.12761	13.1
255.15701	1.8
267.15845	1.6
301.03473	6.0
301.13443	2.3
301.16510	42.4
301.21594	9.1
301.25247	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	35.3
55.05515	35.1
57.03439	55.2
61.02928	3.1
67.05505	32.1
69.03411	7.1
69.07067	7.8
71.05004	4.7
73.02911	19.9
79.05497	32.8
81.02164	2.7
81.03413	12.3
81.07068	24.4
82.04206	4.9
83.04980	19.7
83.08627	9.6
91.05484	18.5
93.07054	21.2
95.04969	11.9
95.08615	11.6
97.02856	3.8
97.06530	8.6
97.10184	22.9
98.07328	12.2
100.53475	2.8
105.07011	12.8
107.04974	5.2
107.08579	13.4
109.06522	6.3
109.10174	7.4
111.08117	4.7
113.30782	2.8
116.04703	42.8
117.07016	6.9
119.08588	9.8
121.10147	9.9
121.39706	2.8
123.08081	7.4
125.09622	26.1
129.05484	100.0
129.06967	7.0
129.38078	2.6
131.08592	8.4
133.10115	6.3
143.07043	17.3
145.10118	4.8
147.11705	6.0
157.08624	54.0
157.10001	5.4
163.11168	6.0
171.10147	16.5
175.11223	3.5
185.11723	4.9
189.11209	30.1
193.12216	4.7
199.13240	13.0
200.14128	10.5
225.74379	3.2
227.12784	12.4
245.13992	3.5
262.79382	2.7
301.03415	10.4
301.16495	44.6
301.21719	6.0
301.24921	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85670	1.0
53.03940	3.5
55.01877	34.3
55.05515	33.0
57.03442	52.1
57.07077	1.1
59.04986	2.3
60.02151	1.9
61.02918	2.6
65.03931	1.2
67.05512	28.9
69.03439	6.4
69.07075	11.0
69.45757	6.9
70.04189	1.5
70.20303	1.1
71.01369	1.3
71.04986	3.1
73.02921	17.7
79.05503	29.8
80.06284	1.2
81.03426	7.8
81.07063	24.9
82.04200	7.6
83.04985	21.3
83.08626	12.4
84.05747	1.6
85.02903	1.1
85.06568	1.7
87.04478	2.1
91.05486	21.2
93.07047	19.7
95.04969	13.3
95.08609	13.3
96.05752	1.1
97.02914	2.4
97.06554	9.5
97.10185	19.8
98.07320	13.4
98.21599	1.3
101.06013	3.8
105.07056	10.6
107.04942	3.6
107.08610	14.0
109.06516	4.1
109.10154	4.3
110.07318	1.9
111.04469	2.5
111.08129	4.8
112.08868	1.1
113.06049	1.2
115.05473	1.2
115.07578	1.3
116.04724	43.8
117.05514	1.0
117.07037	3.0
119.08598	9.0
120.09354	1.6
121.06488	1.2
121.10197	5.7
123.08067	6.9
123.11667	1.3
124.08807	1.6
125.05998	1.2
125.09648	22.8
126.10423	1.9
129.05490	100.0
129.07030	4.0
131.08546	5.3
133.10132	8.9
135.08067	3.8
135.11703	5.0
137.09613	2.8
143.07054	22.7
145.10146	3.9
147.08035	1.4
147.11726	6.5
149.09636	3.4
153.09122	2.4
157.08636	40.8
157.10107	6.4
159.11719	1.4
163.11203	4.3
164.11987	2.0
167.10757	1.2
171.08757	1.8
171.10172	16.3
172.08859	1.2
175.11179	4.5
181.12242	1.9
185.11760	4.6
189.11241	26.5
193.12259	4.1
199.13297	8.6
200.14090	9.8
209.11713	1.5
210.12524	2.2
213.14624	1.3
227.12814	12.9
301.03455	2.1
301.06989	1.1
301.16492	43.6
301.21832	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
55.01875	35.1
55.05514	36.2
57.03439	51.3
57.07065	2.8
59.04987	2.3
60.02132	2.4
61.02919	2.1
67.05505	35.1
69.03088	1.5
69.03416	7.6
69.07062	12.4
69.72720	7.2
71.01347	1.8
71.04976	4.7
73.02921	17.5
79.05075	2.7
79.05496	33.3
81.03408	7.2
81.07062	28.8
82.04196	6.5
83.04985	20.2
83.08627	13.8
85.02894	1.9
85.06544	1.7
87.04488	2.0
91.05481	23.9
93.07048	21.6
94.07845	2.1
95.04972	16.4
95.08624	9.3
97.02898	3.7
97.06525	10.9
97.10165	23.3
98.07333	9.9
101.06013	3.2
105.07036	11.4
105.51355	1.6
107.04938	3.6
107.08597	20.5
109.06509	5.8
109.10142	6.9
111.08059	5.1
115.05458	1.7
116.04715	43.9
117.07008	6.0
119.08584	9.3
121.06506	1.7
121.10133	7.3
123.08068	5.1
125.09640	22.3
126.10403	1.9
127.07587	1.6
129.05487	100.0
129.07043	5.0
131.08572	7.8
133.10144	10.5
135.08084	2.9
135.11684	6.6
137.09605	2.7
139.60159	1.4
142.07817	2.7
143.07045	21.8
145.10112	6.1
147.08063	2.7
147.11641	6.5
148.68402	1.4
149.09579	3.9
151.07631	1.7
153.09116	3.8
155.08650	1.8
157.07321	2.1
157.08618	43.2
157.09982	4.0
163.11172	5.4
171.10155	14.3
175.11168	4.4
181.12108	1.4
185.11726	4.4
189.11226	25.6
191.10698	2.3
193.12274	4.1
199.13332	6.2
200.14107	10.7
209.11682	2.2
210.12544	2.1
217.04973	1.7
219.98405	1.5
222.69632	1.8
227.12762	9.7
255.15887	1.8
258.07477	1.7
301.03503	5.9
301.13458	2.5
301.16525	41.0
301.21677	3.1
301.25098	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02334	1.1
53.03935	4.2
54.48219	1.4
55.01603	1.4
55.01873	33.6
55.05513	35.8
57.03439	61.7
57.07065	1.5
57.31179	1.5
59.04991	2.3
60.02130	2.2
61.02930	2.5
64.13602	1.2
65.03918	1.8
65.81570	1.3
67.05508	36.2
69.03432	8.7
69.07067	13.8
70.04216	1.7
70.11533	1.1
71.01372	1.3
71.04983	4.4
73.02921	17.5
79.05493	40.6
80.06301	1.4
81.03436	8.5
81.07065	27.2
82.04208	6.4
83.04983	20.9
83.08620	16.1
84.05756	1.7
85.02899	2.7
85.06548	1.8
87.04449	3.9
91.05480	24.9
93.07048	25.5
93.41714	1.2
95.04960	10.4
95.08600	11.7
96.05774	1.3
97.02901	5.8
97.06522	10.5
97.10174	25.6
98.07324	9.2
98.21639	2.4
99.04451	2.6
101.06020	3.8
103.05482	1.4
105.07037	16.1
107.04951	5.9
107.08594	20.4
109.06513	3.7
109.10159	7.1
110.07323	1.5
111.04462	3.9
111.08063	5.9
113.06017	2.1
115.05505	1.5
116.03878	2.1
116.04712	38.4
117.05492	1.1
117.07019	4.7
118.20431	1.2
118.54041	1.3
119.04935	1.3
119.08569	12.2
121.06545	2.0
121.10158	10.9
121.27517	1.2
121.28410	1.2
123.08066	6.3
125.09628	22.8
126.10439	2.3
129.05484	100.0
129.07031	4.5
130.58524	1.4
131.08578	7.0
133.06468	2.2
133.10146	11.6
135.08051	5.1
135.11713	10.0
136.08817	2.1
137.09636	3.2
139.11226	2.7
143.07034	21.9
145.10141	7.1
147.08138	1.6
147.11694	8.4
149.09642	5.4
153.09045	2.6
153.12717	1.6
155.07104	1.8
157.08620	48.0
157.10106	6.1
159.11703	2.3
163.11212	5.2
164.11984	1.6
165.12747	1.4
171.10181	17.3
171.11540	2.5
173.09631	1.3
175.11226	4.8
181.12259	3.5
182.74574	1.1
185.11777	5.8
185.13228	1.4
189.05359	2.1
189.11227	24.5
191.10680	2.5
193.12297	3.1
199.13213	6.6
200.14029	11.6
209.11768	3.7
210.12437	2.0
217.05046	2.2
227.12779	11.7
245.04391	1.8
255.21220	1.5
269.08292	1.4
273.04028	2.2
282.53137	1.6
283.15286	1.9
301.03467	8.7
301.06976	2.4
301.11108	2.6
301.16519	56.4
301.21652	6.0
301.24994	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
55.01629	3.2
55.01880	32.3
55.05274	2.3
55.05519	34.9
57.03444	53.4
59.05000	1.9
61.02925	2.3
65.95737	1.7
67.05514	37.0
67.09291	1.5
69.03442	9.0
69.07068	14.4
70.84623	3.9
71.04984	4.4
72.93802	8.9
73.02923	16.7
79.05506	35.2
81.03429	12.5
81.07069	31.0
82.04195	7.0
83.04978	21.8
83.08617	13.2
85.02920	2.5
85.06535	2.5
87.04481	3.0
90.94847	4.9
91.05487	29.0
93.07060	26.9
95.04990	13.2
95.08612	12.1
97.02910	4.2
97.06539	12.8
97.10175	20.9
98.07327	8.5
98.28004	1.6
99.24530	1.7
101.06034	3.3
105.07039	16.1
107.04948	5.5
107.08620	20.5
109.06543	5.2
109.10182	10.9
111.04451	2.3
111.08083	5.4
116.03979	3.2
116.04729	36.2
117.07040	7.7
117.34118	1.9
119.04976	14.6
119.08573	14.9
121.06536	2.6
121.10135	10.8
123.08085	7.2
124.96875	2.7
125.09634	20.0
127.07645	2.0
127.46809	1.7
129.05493	100.0
129.07022	4.5
129.09216	1.5
131.08580	10.8
133.10141	12.6
135.08057	5.2
135.11687	8.1
136.08870	1.7
137.09587	5.0
143.07050	18.1
143.08537	3.7
145.10153	7.5
147.11697	9.2
149.09680	5.1
152.96364	7.3
153.09166	2.4
157.08620	39.3
157.10098	7.8
159.11732	6.1
161.09654	2.1
163.11220	7.4
164.12030	1.7
165.12852	2.0
166.98026	2.4
170.97411	4.5
171.10202	15.5
173.09619	3.6
173.13257	3.9
175.11226	4.1
175.14769	1.9
178.97894	3.8
181.12320	1.9
185.11795	4.0
185.13321	3.3
189.11226	20.7
192.99426	4.2
193.12238	3.7
194.97485	3.0
196.98982	4.6
199.13269	6.1
200.14114	10.9
209.11769	3.2
210.12587	3.3
214.93973	2.4
216.01105	15.2
217.05101	2.1
224.98181	2.0
227.12759	14.4
255.21042	8.7
257.03766	3.0
258.94205	1.7
260.00064	3.1
278.01120	7.4
301.03409	5.5
301.07022	4.1
301.11096	2.4
301.16583	40.8
301.21655	13.6
301.25360	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	301.1184
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01867	1.2
65.03932	2.3
65.09198	0.6
67.05493	2.4
70.61078	2.2
79.05489	1.2
81.07047	0.7
88.67884	0.6
91.05492	2.7
92.04992	2.7
93.03381	0.7
95.04933	1.0
103.05520	0.7
105.07019	1.1
107.05040	0.6
119.04913	0.7
119.08556	0.8
120.04462	2.1
122.06035	1.2
124.55369	0.6
129.06947	0.7
130.66849	0.6
136.07587	2.0
137.05956	1.2
141.06964	1.4
143.08632	0.7
144.08147	1.0
146.06003	0.6
152.06183	2.1
153.07005	3.0
154.07793	0.8
155.08563	1.3
156.08118	0.9
159.09224	0.8
162.05510	1.2
165.05655	0.8
165.06996	2.9
167.07300	1.8
167.08578	1.1
168.05724	0.9
168.08142	1.5
169.07631	1.2
169.08902	1.4
170.08443	2.3
170.09712	1.1
171.09171	0.7
172.07623	1.2
173.07031	1.0
180.05634	0.6
181.06485	3.9
181.08922	1.1
182.09673	2.5
183.04407	1.0
183.09222	2.2
184.09975	2.8
184.11366	1.5
185.07249	1.0
185.10748	1.5
187.08809	3.1
195.08003	1.0
196.07687	1.0
197.05679	0.8
197.08492	1.6
198.06422	1.2
198.08015	3.1
198.09474	1.0
199.08633	1.0
199.12318	5.9
209.06085	0.9
210.09140	5.9
211.08740	7.2
212.09294	10.2
212.11293	1.0
213.10364	6.5
217.04933	0.7
225.06657	2.4
225.10185	1.9
226.07553	5.0
226.10851	0.7
227.11809	26.1
237.10275	2.6
238.08640	1.6
239.08176	2.8
240.08969	13.6
241.09805	26.8
243.06448	0.8
245.04501	1.0
253.09808	1.3
254.10562	1.4
255.11308	100.0
256.11633	1.1
257.12827	2.3
273.03949	1.1
283.10797	39.5
301.03540	4.5
301.11508	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96371	0.5
56.96568	0.6
57.03429	2.1
58.99567	0.6
61.01147	2.8
63.45559	0.4
65.00629	1.7
67.49110	0.4
69.03425	1.0
70.06575	0.6
70.08006	2.1
79.58118	0.5
81.03413	0.6
81.54064	0.4
83.04996	0.5
84.08152	0.5
85.01155	0.6
85.02913	3.6
87.02714	4.8
87.53848	0.5
89.03928	0.6
91.05476	0.8
95.04961	0.5
98.20876	0.6
106.06565	1.0
107.04961	3.8
118.06516	0.6
120.08114	19.0
121.03194	0.7
121.06523	0.6
124.99237	0.5
132.08104	1.3
133.03204	9.9
133.08812	0.5
134.02696	0.7
135.04425	1.2
136.06168	0.8
138.05492	0.5
138.09120	1.4
146.09633	1.8
149.02693	19.4
152.10738	6.1
158.09650	1.5
160.07581	2.0
160.11229	16.7
162.09158	0.9
163.03925	4.0
169.01767	0.7
177.07910	3.7
178.08685	3.2
180.01111	0.5
190.12247	1.0
192.13864	10.6
204.10204	11.8
206.08133	0.6
208.09694	5.8
209.10468	1.9
216.56236	0.5
222.11226	0.5
233.20677	0.5
236.12834	100.0
237.13129	1.1
250.05269	1.0
256.08118	1.0
300.05954	0.6
300.09183	2.2
300.12756	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	299.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35029	3.0
53.00296	12.3
53.03941	3.8
54.23422	2.8
55.01884	16.0
55.05272	4.1
55.05517	53.9
57.03197	3.8
57.03447	44.3
57.07071	10.7
59.05003	6.2
59.14099	2.8
67.05511	60.8
69.03429	6.3
69.07071	10.5
71.01372	14.7
71.04998	6.2
79.05503	42.7
81.03421	17.4
81.07063	61.7
83.04976	8.5
83.08623	32.1
85.06547	8.3
91.05492	72.2
93.07050	38.7
95.04968	15.2
95.08624	25.1
97.02886	10.6
97.06537	10.6
97.10162	10.5
99.00835	39.1
99.04507	3.7
103.05432	4.7
105.07040	45.4
107.04945	11.5
107.08606	22.6
109.02876	16.3
109.06503	10.6
109.10164	24.2
111.04443	4.2
111.08077	9.6
115.03885	4.9
117.07040	15.6
119.08597	33.0
121.06518	17.3
121.10096	7.1
123.04463	6.1
123.08073	9.6
123.11708	5.7
125.09648	4.6
127.03932	5.8
128.06238	9.9
131.08531	6.5
133.10147	65.3
135.08031	6.7
137.09601	5.3
139.07610	3.6
143.08565	13.1
145.10095	6.0
146.57307	3.1
147.08057	8.1
147.11653	4.5
151.11176	23.9
153.09201	4.9
155.08511	4.1
157.10184	4.3
159.08038	3.8
159.11588	2.8
161.09624	34.8
171.08011	5.3
179.10666	22.0
189.09088	27.7
197.11748	9.8
207.10132	8.0
225.11227	41.2
243.12285	4.4
271.15390	13.6
272.47470	3.2
281.19049	3.2
299.14908	100.0
299.20126	13.6
299.23380	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	18.6
53.03935	8.1
55.01865	13.1
55.05284	3.8
55.05517	59.3
57.03442	37.8
57.07074	3.8
57.99340	2.9
59.03542	2.8
59.04997	9.5
67.05505	39.1
69.03403	6.2
69.07050	10.4
70.20392	11.9
70.20758	5.3
71.01348	9.0
71.04971	6.3
73.02904	3.8
79.05488	31.7
81.03405	9.4
81.07061	49.5
83.04956	9.3
83.08618	30.6
85.06525	3.4
86.76167	2.9
87.73871	2.8
91.05488	60.0
93.07037	40.3
95.04951	10.0
95.08601	13.5
97.02895	10.6
97.06512	6.5
97.10140	6.0
98.20863	4.3
99.00817	73.1
101.76138	3.1
103.05430	4.2
105.07038	46.7
107.04937	15.2
107.08594	28.2
108.87653	3.1
109.02859	29.5
109.06516	10.6
109.10134	13.1
111.04433	4.5
111.08070	13.1
115.03925	7.1
117.07008	9.7
119.08595	26.5
121.06529	21.2
123.04439	4.5
123.11713	6.7
127.03926	7.9
128.06215	6.9
131.08571	4.7
132.07280	3.7
133.06516	3.9
133.10139	100.0
137.06003	3.7
137.09653	4.3
139.07504	9.1
141.06979	4.0
143.08559	13.5
145.06502	4.7
147.08109	3.5
148.12341	3.2
149.25282	3.4
151.11217	37.4
161.09624	61.0
171.08055	9.2
179.10674	44.9
183.11717	6.3
189.09134	31.2
197.11729	12.9
197.13313	3.3
207.10155	13.8
209.81355	3.6
225.11212	44.4
243.12228	5.7
253.19478	15.7
284.93015	2.9
299.14902	78.9
299.20093	17.1
299.23773	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	299.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
67.05503	2.0
68.89554	1.2
71.48419	2.3
79.05479	2.8
83.04993	1.5
89.03931	9.9
91.05498	2.1
93.07063	1.3
96.57491	1.3
99.25383	1.3
101.06057	1.9
107.04958	4.2
117.03391	12.3
121.06501	2.3
135.04431	21.5
137.02321	5.3
137.05975	4.9
145.02841	14.7
151.07527	1.9
163.03917	100.0
175.07565	1.9
181.05034	1.6
207.08177	1.9
253.08727	1.6
253.16187	1.6
257.08292	1.4
266.53491	1.6
281.10147	1.4
299.05646	3.8
299.09494	3.7
299.12955	2.6
299.93723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.34077	0.2
59.49432	0.3
61.01159	5.7
62.29305	0.2
69.03429	0.5
69.07058	0.2
69.34435	2.1
73.52464	0.3
75.02715	2.2
76.25014	0.3
94.04053	0.4
95.24543	0.3
97.02914	1.5
103.02190	0.5
119.03558	1.0
136.06198	100.0
137.04594	0.3
139.92143	0.2
145.03197	1.4
151.79387	0.2
163.04250	0.9
192.13518	0.3
298.09790	3.9
298.16562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16837	25.8
80.06246	11.5
84.70712	11.5
85.01416	15.3
85.02913	15.0
97.09618	11.2
101.00887	20.3
103.02472	16.1
107.04958	78.2
115.02499	13.9
119.01904	19.4
126.45685	11.3
127.02423	14.8
129.03990	19.0
133.03447	41.6
145.03453	20.5
155.01892	13.5
155.05563	34.5
161.03082	14.9
163.03922	29.9
169.03452	16.8
171.05098	14.8
173.04822	16.0
175.04597	19.1
181.07104	45.0
183.05075	11.9
185.06653	27.0
195.16344	11.1
199.02649	16.4
199.08125	21.5
211.04549	21.8
217.03795	27.6
221.02986	22.7
279.20828	11.7
281.08774	100.0
293.64377	12.2
299.06354	20.0
299.09470	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92700	0.3
55.05519	2.0
55.93525	0.7
56.96542	0.4
67.05505	0.5
69.07037	0.7
69.96183	0.7
70.95870	2.5
80.42390	0.4
82.99889	1.3
83.04988	3.2
83.08604	0.7
85.01403	2.4
88.67947	0.5
93.27874	0.4
96.03693	0.4
98.96770	0.4
98.97583	1.8
99.04443	0.6
101.00877	7.1
102.00961	0.6
103.02441	3.9
111.04448	1.4
113.05999	1.3
115.02345	0.4
116.98602	1.3
119.01926	16.3
120.02017	0.9
121.03480	1.2
125.04506	1.2
127.02383	0.6
127.07545	1.5
129.03932	0.7
131.96117	0.8
134.99725	0.4
137.02979	2.9
137.05968	0.7
139.06021	0.7
141.03951	1.8
143.05536	5.7
145.03468	7.7
147.05023	5.2
153.03969	0.6
155.05673	0.8
155.07027	14.1
157.03511	0.6
157.07101	6.1
159.05038	1.4
159.99971	0.6
161.06613	6.9
163.04536	7.2
165.06102	2.1
167.05574	0.7
169.03433	1.0
169.07100	4.4
171.05038	3.2
173.06731	1.0
174.97676	0.7
175.08170	8.4
177.00955	3.9
177.03882	0.6
178.01054	3.3
179.00674	0.9
183.04965	1.1
183.08646	1.2
185.06602	8.6
187.04529	1.8
187.08151	11.1
189.06085	13.6
190.94933	0.8
191.94984	1.7
192.94881	0.6
195.05029	1.6
199.08192	0.6
201.00995	0.6
201.06030	0.9
201.09735	3.0
202.01016	0.6
203.02565	0.9
203.07643	2.8
204.02728	0.6
205.05548	1.1
207.07162	1.2
208.95946	0.9
209.06627	0.5
209.96049	1.8
210.09596	0.4
210.95786	1.0
211.04524	6.1
211.08174	1.2
213.06097	8.4
213.09674	4.6
218.04359	0.6
219.02013	5.5
220.02115	4.4
221.01794	1.0
222.01909	1.7
226.01361	0.4
229.05629	2.5
229.09315	0.4
229.12881	0.6
231.07225	3.0
231.10780	1.6
232.96428	1.0
233.96017	2.7
237.06105	1.6
239.07770	1.2
244.02159	1.7
245.01714	0.5
250.97491	0.6
251.97166	2.6
252.97052	1.1
255.07112	3.9
255.10793	5.0
256.97064	1.6
257.03448	0.7
257.08670	6.1
257.15985	1.0
258.99780	1.0
261.03116	4.1
262.03186	20.6
263.02859	2.1
274.97305	2.5
275.04712	1.2
275.09622	0.8
275.97183	10.0
276.04425	3.3
276.97137	1.3
277.00912	1.2
292.98505	0.6
293.98135	5.1
294.97998	0.8
298.98001	3.9
299.09756	100.0
299.18817	1.6
300.09879	2.1
316.98828	5.1
317.07556	0.8
317.10828	4.3
317.18152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	22.5
55.81453	2.7
57.07075	28.5
59.30596	2.5
67.05495	5.1
69.07072	36.7
69.55466	18.7
71.08629	22.7
81.07051	8.9
83.08636	22.7
85.10168	15.3
86.09707	24.6
87.10027	7.0
91.05439	3.1
93.07027	8.4
95.08643	5.2
97.10173	21.4
99.22460	2.5
107.08622	3.7
111.11721	7.4
131.08562	4.8
144.08078	35.1
145.06630	3.1
145.10060	3.5
154.12187	3.1
159.11629	3.3
170.47015	2.6
177.16592	2.6
183.11694	2.6
297.19547	25.7
297.22418	4.5
297.26260	5.7
297.29797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.3
57.03430	3.5
57.13606	0.9
57.37486	0.9
58.99863	1.7
61.02913	2.3
61.05043	0.9
66.92857	0.8
67.05499	1.4
68.98289	1.1
69.03418	3.8
71.47714	1.3
73.02914	2.5
79.00343	1.0
81.03387	1.9
83.04978	0.8
85.01435	1.6
85.02916	6.4
86.99316	1.8
87.04468	2.3
89.03910	0.9
91.05441	0.9
93.47586	0.9
95.04977	1.2
97.01386	6.9
97.02886	4.0
98.97585	3.7
99.04456	1.6
101.00887	13.1
102.00965	2.5
103.00659	1.1
103.02443	1.3
107.04945	3.7
108.05296	1.5
109.02898	1.3
109.06513	1.4
110.01382	1.9
113.00862	1.8
115.02431	17.1
117.96802	0.8
119.01923	19.8
120.02017	2.8
120.08112	7.3
121.02889	1.1
123.04455	1.0
124.03925	1.6
127.02387	2.2
127.03907	2.8
129.03902	1.0
131.01915	5.0
133.03496	5.4
133.06464	0.9
135.04390	2.5
136.06160	3.3
136.99625	1.0
137.01920	1.7
137.02943	3.3
139.02434	1.3
140.02493	0.9
140.05609	1.6
143.00133	1.3
143.01906	7.0
145.03477	4.4
146.03769	1.1
153.00307	1.3
154.04103	1.1
155.01860	2.5
157.03491	5.2
158.06633	5.4
158.99799	2.8
159.01363	2.0
161.02995	5.2
163.03888	13.1
164.04308	1.4
165.02373	1.0
166.01338	1.1
167.02980	2.5
167.07037	1.2
168.99823	1.5
169.03448	3.3
170.03609	3.9
170.06635	2.6
171.01497	4.3
171.02806	1.0
171.05118	2.0
172.01495	1.1
172.05240	3.8
173.02919	2.9
174.02998	1.5
175.04532	1.2
176.07632	1.4
177.00977	6.3
177.02333	1.6
179.07063	1.8
184.05040	1.3
185.02913	5.4
187.00899	2.1
187.04509	1.9
188.04674	2.1
188.07700	6.8
189.02448	6.2
190.02731	1.0
191.03964	1.0
195.01367	1.1
195.05121	1.4
196.99402	1.1
197.02937	3.2
198.03102	7.1
199.04720	1.3
200.08307	1.3
203.02478	3.9
203.04166	1.3
206.11795	4.2
207.03564	1.3
211.04562	2.1
213.02541	3.2
215.00354	7.8
215.03944	2.3
216.04239	8.1
216.53204	0.9
219.01897	7.0
221.01547	1.7
233.01430	56.7
238.05629	2.7
243.02003	3.0
245.01465	1.1
251.02492	66.7
252.02707	1.2
256.03250	4.4
257.01447	2.6
257.06989	2.1
261.03061	34.3
266.05148	2.2
268.07330	1.3
274.04034	1.8
275.02426	20.8
275.05923	3.7
275.08536	1.4
284.06247	1.1
293.03525	100.0
294.03745	1.6
298.04285	1.7
298.07895	1.9
298.12347	1.1
298.16165	1.2
316.05014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03952	4.4
55.01867	9.8
55.05512	85.2
57.03428	11.6
57.07074	19.0
59.05000	6.1
59.99174	2.4
67.05508	100.0
69.03418	7.4
69.07071	64.8
69.28043	14.6
69.28467	9.7
71.01347	4.0
71.04987	8.9
71.08633	22.3
79.05497	53.0
81.07056	99.3
83.04976	8.8
83.08623	42.9
85.06547	5.8
89.02383	4.1
91.05477	25.6
93.07048	44.6
95.04971	6.2
95.08611	86.1
97.06527	11.8
97.10176	55.4
99.08102	12.7
105.07043	13.1
107.04946	3.8
107.08601	45.1
109.10162	50.5
111.08087	7.3
111.11729	3.3
117.07011	7.6
119.08552	14.9
121.06509	3.8
121.10144	18.6
123.11696	16.0
125.09634	37.1
131.08563	10.3
133.10129	10.6
135.08067	6.8
135.11717	19.5
137.09581	6.5
137.13248	10.6
141.12753	4.3
143.08551	3.8
144.08086	32.5
145.10124	9.2
147.11674	9.2
149.09697	3.1
149.13251	7.4
151.07541	3.5
151.14824	5.0
153.09253	3.8
153.12747	11.4
154.12273	7.0
159.11707	8.4
161.13258	4.3
163.14792	5.9
165.12732	4.7
166.12163	3.3
169.15849	10.0
171.11642	4.8
173.11816	5.9
173.13281	6.6
175.14841	3.0
177.16367	3.7
180.06053	2.7
183.13812	47.3
185.13362	3.2
187.14894	3.1
189.11208	23.0
199.14731	4.2
208.88327	2.7
209.15356	3.8
223.13261	7.5
232.88176	3.1
233.22612	2.7
243.21043	10.1
250.89520	3.7
251.23717	11.8
261.22156	25.3
273.90939	3.0
279.23227	60.3
279.47211	3.0
297.19745	20.4
297.24597	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	297.1964
Annotation	Dichomine
Peak:m/z	Relative Intensity
50.07367	0.6
67.05480	0.9
71.10059	0.4
71.15190	0.8
79.05492	0.5
81.07049	0.7
91.05479	1.6
93.07044	1.9
94.06598	0.7
95.08589	1.0
103.05458	0.7
107.08621	0.8
108.08105	2.0
110.09707	2.6
111.08100	2.4
115.05469	0.5
115.93564	0.6
117.07038	4.9
118.06512	0.6
119.08576	1.3
122.09676	1.5
124.11246	0.5
129.06998	1.0
130.06569	3.4
132.08125	1.0
136.11209	1.4
137.03416	0.5
137.09642	0.5
143.07362	3.1
144.08099	100.0
144.75089	0.4
145.08456	0.7
148.11234	1.1
154.12289	15.6
155.06029	0.7
155.07253	0.6
156.08089	1.4
158.09671	2.2
159.09227	0.6
164.21837	0.4
166.12286	4.8
167.07338	0.6
168.08086	1.6
169.08836	0.6
170.09639	2.0
171.09224	0.7
180.08147	0.8
181.08745	0.6
182.09676	0.9
183.09207	0.5
194.09671	1.0
196.11340	0.4
206.09630	1.3
207.10522	0.5
210.12851	0.7
218.09665	0.8
219.10445	0.5
220.11224	2.6
221.11847	0.7
232.11261	0.6
233.12064	0.8
234.12790	0.7
235.13577	1.3
236.14398	2.4
250.15855	1.0
254.15395	1.0
262.15955	0.7
268.16983	2.2
280.17029	5.4
283.15607	0.5
297.19644	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	297.1961
Annotation	Dichomine
Peak:m/z	Relative Intensity
50.07357	0.6
67.05489	1.2
69.31955	2.8
69.32367	1.0
73.02440	0.4
79.05473	0.9
79.67519	0.4
81.07041	0.9
86.00668	0.4
86.66676	0.4
91.05477	2.3
93.07034	2.3
94.06555	0.7
95.08588	1.3
103.05459	0.4
105.07057	0.7
106.64402	0.4
107.08598	1.1
108.08133	1.9
109.06464	0.4
110.09683	1.8
111.08086	3.1
115.05402	1.0
117.07032	3.7
118.06518	0.5
119.08587	1.8
120.08118	0.5
122.09666	1.4
129.06981	0.5
130.06509	4.2
131.07288	0.6
132.08104	0.5
136.11241	1.0
137.09599	0.6
143.07304	2.4
144.08087	100.0
145.06447	0.5
145.08464	0.7
148.11226	0.7
152.10716	1.2
154.12271	18.0
155.06036	0.6
156.08073	1.9
158.09654	3.6
159.09190	0.7
166.12286	5.6
167.07310	0.5
168.08145	1.7
169.07504	0.4
169.08914	0.7
170.09653	2.8
172.11220	1.1
180.08084	1.9
181.08861	0.5
182.09634	0.8
183.09132	0.7
194.09668	1.6
195.10512	0.4
195.68188	0.4
196.11230	1.2
205.08881	0.6
206.09673	1.5
207.10391	1.0
208.11256	1.4
209.11909	0.6
210.12822	1.2
218.09631	0.4
219.10550	0.7
220.11240	2.9
221.11990	0.8
222.12794	0.7
224.14313	1.1
232.11319	0.6
233.12006	0.8
234.12770	1.5
235.13577	1.3
236.14349	3.0
250.15952	0.5
254.15431	1.8
262.16043	1.0
266.15265	0.6
268.16962	2.9
280.17020	6.0
282.81189	0.4
297.19620	79.9
298.20020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	(-)-Ovalicin
Peak:m/z	Relative Intensity
52.06411	2.6
53.03940	8.2
55.01881	12.0
55.02098	2.6
55.05514	75.8
57.03196	3.5
57.03439	41.2
57.07080	4.8
59.71744	2.1
65.03945	4.1
67.05507	84.3
69.03438	14.1
69.07071	21.7
71.04986	7.4
79.05494	67.7
81.03429	21.6
81.07060	67.1
83.04993	16.8
83.08620	22.8
85.02914	7.4
85.06542	5.2
87.04465	2.7
91.05476	38.5
93.07049	48.9
95.04978	29.5
95.08611	27.3
97.06516	6.5
97.10181	50.1
99.04440	3.9
99.82618	2.1
103.05452	2.9
105.07037	21.0
107.04939	11.2
107.08605	37.2
109.02885	2.6
109.06522	9.0
109.10164	19.0
111.08068	7.7
115.05437	3.5
117.07014	23.3
119.08574	9.5
121.06509	10.7
121.10139	11.3
123.08115	4.7
125.09633	43.5
128.06224	2.1
131.08597	17.7
133.10143	12.4
135.08040	8.6
135.11703	4.7
137.09666	2.4
141.07016	3.4
143.08510	4.0
144.08093	19.7
145.10138	8.1
147.11696	2.9
149.13243	6.7
153.09087	4.6
154.12294	2.5
159.11699	20.9
161.09572	4.1
169.10135	5.2
173.40083	2.3
177.12724	7.4
179.10594	3.3
187.11183	8.1
189.11218	42.0
205.12262	8.8
223.13300	100.0
229.14674	2.5
250.89383	2.5
297.16840	69.7
297.22406	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.77819	0.5
53.03940	1.4
55.01879	3.0
55.05514	8.6
55.53128	0.5
56.69402	0.4
57.03448	0.8
57.07074	1.0
59.05009	0.6
65.03933	0.6
67.05510	24.0
69.03423	2.1
69.07075	15.0
71.04990	3.6
71.08839	1.0
71.09200	0.7
79.05500	15.9
81.03415	1.1
81.07063	26.1
83.04998	2.8
83.08608	5.4
85.02878	0.7
85.06544	3.3
87.04440	0.6
91.05485	9.1
93.07050	21.0
95.04968	1.9
95.08615	19.1
95.09071	0.3
97.02905	0.7
97.06030	0.5
97.06552	3.8
97.10175	3.3
99.08092	2.2
103.05463	0.6
105.04592	0.5
105.07043	6.4
107.04965	0.8
107.08600	12.5
108.08118	1.1
108.09116	0.4
109.02821	0.7
109.06535	1.2
109.10172	7.2
109.22427	0.5
109.48479	0.4
110.09690	0.5
111.08099	2.4
115.07529	0.6
117.03387	0.7
117.07021	2.2
119.08577	6.0
121.10154	18.7
122.09688	0.8
123.08071	1.9
123.11722	2.3
125.09640	3.9
129.06976	1.5
130.06538	1.8
131.04953	0.6
131.08572	3.3
133.10141	5.3
135.04434	1.4
135.08101	0.8
135.11700	12.5
137.09662	1.4
137.13184	0.5
139.11183	2.0
143.07382	0.7
143.08578	1.0
144.08093	17.6
145.02907	0.8
145.10092	2.7
147.11697	4.3
149.09642	1.1
149.13268	3.9
151.11157	1.1
152.10713	1.5
157.10126	0.9
158.06006	1.6
159.11720	2.0
161.13216	2.8
163.03906	7.6
163.11131	1.2
163.14856	0.7
165.12749	0.6
168.08075	0.9
169.07574	0.7
170.09686	0.9
171.11702	1.4
173.13257	1.6
175.14854	1.7
177.12759	0.6
180.08206	0.6
181.12265	1.0
182.08337	0.8
182.09734	0.8
183.09253	1.1
184.09981	1.0
185.13326	1.2
189.11214	0.8
189.12781	0.7
191.14406	0.5
194.09677	1.1
195.13924	1.0
197.10732	1.5
203.12767	1.8
206.09766	0.8
207.13924	0.8
208.09988	0.5
209.15489	0.6
211.12421	1.1
211.14705	0.5
218.09869	0.7
219.10519	0.7
221.10797	1.6
222.13148	0.6
223.12379	1.5
234.12920	0.8
235.07561	0.9
235.12314	11.6
241.19583	1.9
245.11937	0.6
247.12325	0.9
249.13905	7.7
249.22308	0.6
250.14574	1.7
251.15384	1.1
259.20590	7.1
261.26929	0.5
265.16873	0.7
277.16934	1.6
277.21652	18.9
295.18069	100.0
295.22665	6.2
296.18408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.93417	4.4
53.03941	10.2
53.18749	4.7
55.01875	45.3
55.05514	61.8
57.03424	11.2
57.07065	11.9
67.05505	93.2
69.03416	7.9
69.07069	48.8
69.22232	28.7
69.22641	14.0
71.05002	8.3
71.08637	18.9
75.39488	4.3
79.05489	64.4
81.03416	13.4
81.07053	100.0
83.04986	25.8
83.08624	36.1
85.02916	7.1
85.06513	8.8
85.10178	7.2
91.05479	58.1
93.07041	72.6
95.04973	25.0
95.08618	62.1
97.06537	19.0
97.10165	16.2
99.08099	16.3
105.07033	49.1
107.04930	6.1
107.08604	47.1
109.06518	16.7
109.10146	21.5
111.08076	49.7
113.09608	8.0
117.07037	14.3
119.08565	24.2
121.10158	35.1
123.08103	8.3
123.11730	11.4
123.78716	4.8
125.09590	6.1
129.07036	11.9
131.08525	11.7
133.06456	4.9
133.10141	39.9
135.08051	5.5
135.11699	22.2
139.11192	15.0
143.08533	7.6
144.08076	30.3
145.10071	10.6
147.11769	23.9
149.09630	14.5
149.13266	22.3
151.11189	19.8
153.12682	7.8
157.10165	14.9
159.11664	9.4
161.13225	14.1
163.11131	5.6
165.12790	20.9
171.11659	8.0
173.13324	6.0
175.11261	9.0
175.14844	6.4
179.14323	6.0
185.13277	8.7
195.13771	7.1
195.68384	5.2
207.13834	5.9
221.15321	5.8
231.21017	5.9
249.22176	8.5
259.20694	10.4
277.21680	95.1
295.17914	45.9
295.22867	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	5.7
55.01869	4.3
55.05268	1.9
55.05516	22.3
57.03429	2.4
57.07077	15.0
57.12393	1.6
67.05507	30.1
69.03428	2.3
69.07063	16.6
71.08636	3.6
71.42088	2.6
79.05481	20.9
81.03424	20.3
81.07054	30.6
83.04978	11.2
83.08602	10.0
85.10181	28.9
87.70226	1.7
91.05485	13.6
93.07049	18.2
95.04978	19.4
95.08605	18.7
97.06543	3.8
97.10175	7.5
99.08119	1.8
105.07030	14.4
107.04954	6.4
107.08593	10.7
109.06532	4.4
109.10173	10.8
111.08092	2.7
113.09646	27.6
113.10367	3.0
117.07057	2.6
119.08592	6.9
120.08061	2.1
121.10155	6.5
123.08053	2.3
123.11681	2.7
125.09652	3.8
129.54234	1.8
131.08589	3.3
133.10143	7.2
135.08092	2.1
135.11682	3.1
139.57787	1.8
143.08559	2.2
144.08115	10.6
147.07935	1.6
147.11681	6.3
149.09624	6.1
149.13329	2.6
151.11191	8.1
157.10091	2.2
161.13249	3.4
163.11188	3.7
165.12756	35.8
175.11186	3.2
179.14276	4.7
207.13835	4.0
213.12611	1.6
225.91655	1.7
235.12370	2.3
241.19661	1.8
249.13759	2.0
259.20685	3.4
277.21640	55.7
295.18048	31.3
295.22696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
52.64798	4.2
53.03934	10.7
55.01874	44.4
55.05512	56.9
57.03419	12.3
57.07063	14.6
59.93700	4.9
65.03963	4.3
67.05510	86.2
69.03400	7.2
69.07076	40.5
70.74084	4.1
70.74425	9.8
71.04978	6.5
71.08627	16.9
79.05501	61.9
81.03408	13.1
81.07057	100.0
83.04974	26.4
83.08627	31.4
85.06536	9.0
85.10180	8.6
91.04980	4.8
91.05487	46.9
91.55923	4.7
93.07052	79.2
95.04960	26.3
95.08614	67.3
97.06524	21.3
97.10163	8.5
99.08086	12.0
105.07057	37.9
107.08592	32.5
109.06503	16.4
109.10152	20.0
111.08092	41.9
116.49763	4.4
117.07027	8.3
119.08581	22.2
121.10150	25.6
123.08055	10.9
125.09628	11.5
129.06969	5.2
130.68002	5.2
131.08548	18.4
133.06459	6.5
133.10114	30.6
135.08028	7.7
135.11691	19.3
137.09618	9.0
138.98569	4.6
139.11157	18.7
143.08575	6.9
144.08086	16.0
145.10135	7.3
147.11681	19.0
149.09619	6.9
149.13232	17.9
151.11162	18.0
157.10101	9.7
159.11743	8.1
161.13251	7.1
163.11174	5.1
163.14856	7.5
165.12744	14.1
169.10194	4.3
175.11179	7.5
175.14998	6.0
177.12787	7.3
185.13237	8.9
189.11243	5.0
193.12288	6.9
249.13852	4.8
249.21942	5.1
259.20551	13.8
277.21667	82.8
295.17957	32.8
295.22772	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03957	23.3
55.01866	12.0
55.05518	28.4
57.03403	3.8
57.07057	8.2
62.25540	3.6
65.03943	3.8
66.06623	3.3
67.05511	69.3
69.07074	54.2
69.84708	19.5
71.04985	6.1
76.75509	3.5
79.05499	45.0
81.03429	76.0
81.07061	63.8
81.07529	5.6
83.04980	21.8
83.08611	16.6
85.10162	6.0
91.05470	27.6
93.07053	48.5
95.04971	48.8
95.08614	30.6
97.06528	5.7
97.10161	5.3
98.21494	7.8
102.25903	4.4
105.07034	22.9
107.08620	34.1
107.66878	4.1
109.06527	9.4
109.10178	30.9
111.08095	9.6
117.07072	4.2
119.08601	18.3
120.08963	3.7
121.10133	16.5
123.11717	9.3
125.09640	15.8
131.08578	7.1
133.10121	25.1
135.08038	4.3
135.11710	15.2
144.08104	12.7
145.10172	4.7
147.11717	19.2
149.13254	11.5
151.11191	62.5
153.09120	6.8
153.70552	3.9
161.13246	16.9
165.12807	14.2
171.11650	6.2
175.14807	4.4
179.14352	7.2
189.12761	5.7
207.13824	7.3
231.21149	9.9
239.04037	4.0
241.19473	4.9
249.22229	6.1
259.20535	12.5
277.21658	100.0
295.17966	14.9
295.22726	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	295.227
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03939	4.2
53.43817	2.2
55.01874	14.2
55.05515	79.1
57.07074	5.5
60.56122	1.9
66.27209	2.4
67.05194	2.8
67.05511	48.0
69.07069	28.4
70.07366	3.1
70.73756	2.2
70.74086	5.3
71.04987	4.7
79.05139	2.2
79.05505	23.8
80.67878	2.2
81.03410	8.4
81.06602	2.7
81.07059	48.1
83.04971	7.9
83.08620	100.0
85.06519	2.9
91.05482	35.1
93.07047	28.8
95.04948	7.7
95.08606	23.8
97.06534	12.3
97.10169	2.4
105.07037	24.4
107.08607	19.5
109.06511	7.1
109.10170	11.1
111.08087	28.2
117.07008	3.4
119.08575	17.0
121.10143	16.0
123.11650	5.2
128.30141	2.2
129.07027	4.4
129.09068	2.6
131.08533	7.2
133.06470	2.5
133.10138	26.6
135.11676	7.6
139.11177	13.8
139.12151	2.2
144.08049	7.9
145.10121	2.9
147.11688	21.5
149.09602	9.1
149.13281	21.1
151.11160	10.6
157.10104	7.0
159.11664	6.0
161.13246	6.4
163.91376	2.5
165.12753	16.0
166.66438	2.4
167.14351	4.1
175.11194	12.9
175.14738	2.5
177.12521	2.3
185.13306	2.3
193.12299	4.9
198.07767	4.7
241.19485	5.8
249.22163	4.1
259.20572	8.1
277.21619	36.4
295.10104	3.9
295.17947	13.2
295.22784	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	5.8
53.82788	4.7
55.01861	6.2
55.05512	27.2
55.05725	4.6
57.03426	6.0
57.07067	4.7
62.18967	4.4
62.47717	4.5
67.05507	69.2
69.07071	28.1
71.08635	50.0
77.03889	5.0
79.05487	59.3
81.03416	9.8
81.07058	70.3
83.04972	17.0
83.08626	15.2
88.72811	4.6
91.05478	34.9
93.07043	69.8
95.04964	8.4
95.08611	50.1
97.06529	16.0
97.10168	12.8
98.21561	8.0
99.08094	37.7
105.07047	25.7
107.08602	47.3
109.06472	6.1
109.10175	28.9
111.08125	5.2
114.03429	5.0
117.07023	7.9
119.08569	16.1
121.10150	38.6
125.09643	13.1
131.08548	8.9
133.10117	14.8
135.11711	37.9
147.11702	9.8
149.13264	15.5
151.11145	14.5
161.13159	11.4
163.11240	5.4
173.13277	7.4
177.12633	5.7
179.14319	100.0
189.11191	9.3
221.15311	4.9
235.17075	5.2
257.39325	4.9
259.20575	8.3
277.21667	57.3
314.91367	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	11.3
55.01875	65.9
55.05513	46.8
57.03431	16.9
57.07062	7.9
67.05504	83.1
69.07073	40.1
69.49098	35.9
70.35486	4.6
71.08619	15.6
79.05500	60.6
81.03435	7.5
81.07053	85.1
82.16142	4.5
83.04977	17.4
83.08619	33.2
83.24353	5.3
85.06493	5.5
91.05495	49.1
93.07054	71.8
95.04962	13.7
95.08602	74.9
97.06538	41.8
97.10165	19.4
98.21166	18.3
99.08085	11.7
105.07024	39.6
105.89687	5.5
107.08597	50.2
109.10152	23.9
111.08086	50.9
113.09631	12.8
117.06983	10.0
119.08588	36.2
121.10139	32.2
123.08075	7.6
123.11712	9.1
125.09628	7.9
131.08566	20.7
133.10144	42.5
134.78703	5.5
135.11711	24.8
139.11122	7.7
143.08542	9.3
144.08119	9.5
145.10127	15.4
147.11725	27.9
149.09642	7.9
149.12177	5.8
149.13219	23.6
151.11176	20.8
155.08649	5.7
157.10136	7.8
159.11723	26.1
161.13248	15.0
163.11191	12.8
165.12746	18.3
169.10110	11.2
171.11707	13.8
173.13237	16.9
175.14867	9.1
177.12706	5.6
179.14317	6.1
183.11626	9.0
185.13322	6.4
187.14877	15.3
195.13948	6.1
197.13235	12.6
199.14937	8.3
201.16351	9.7
225.16423	6.9
231.21086	7.2
237.34462	5.3
239.17918	8.4
241.19569	6.2
249.22110	6.2
253.19560	7.6
259.20612	18.2
261.87738	5.5
267.20874	5.3
272.88806	4.7
277.21674	87.4
295.17944	12.1
295.24515	100.0
299.38022	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.37168	2.2
53.03944	8.2
55.01879	12.4
55.05515	40.5
57.03423	5.1
57.07074	30.7
65.03957	2.6
67.05510	52.9
69.03423	4.8
69.07071	27.7
69.83447	8.7
71.04990	6.0
73.99968	2.6
74.49157	2.2
77.96973	2.8
79.05501	42.9
81.03422	27.0
81.07061	50.6
83.04993	20.6
83.08614	16.9
85.06529	3.8
85.10190	65.2
91.05486	43.1
93.07050	37.5
95.04971	26.6
95.08612	30.5
97.06528	8.8
97.10175	9.6
98.20775	3.0
99.08083	3.2
105.07036	28.6
107.04966	15.2
107.08589	25.9
109.06533	10.1
109.10179	17.2
111.69366	2.5
113.09651	73.0
117.07016	5.3
119.08597	16.8
120.28347	2.2
120.32048	2.6
121.10147	11.7
123.08119	7.5
123.11709	5.1
125.09625	6.1
129.07019	6.2
131.08591	13.0
133.10114	21.0
135.11726	6.3
143.08585	4.5
144.08145	5.5
145.10155	6.8
145.71877	2.2
147.11703	15.6
149.09618	15.5
149.13199	4.7
151.11243	10.5
153.12790	5.4
157.10164	5.9
159.11708	3.4
161.09674	2.4
161.13298	6.2
163.11214	8.2
165.12758	55.3
165.14145	2.7
167.14362	3.3
171.11702	6.1
173.13257	4.1
175.11218	7.7
175.14798	5.4
181.12160	2.2
193.15732	2.4
207.13731	4.5
231.21053	3.3
259.20731	6.3
277.21658	70.0
295.18036	7.9
295.22751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
52.05036	2.2
53.03936	5.1
55.01875	74.8
55.05511	44.5
57.03435	5.4
57.07070	8.8
67.05501	43.1
69.03424	3.2
69.07071	21.5
70.10036	4.6
70.10430	4.9
71.04981	4.0
71.08630	19.8
73.65669	2.6
75.04946	2.4
78.71970	2.1
79.05487	33.6
81.03422	13.1
81.07056	47.7
83.04980	21.6
83.08617	29.5
85.06534	5.8
85.10192	11.1
87.99868	2.0
91.05481	35.2
93.06492	3.1
93.07044	35.4
95.04981	18.2
95.08610	30.5
97.06532	27.1
97.10155	6.9
98.20782	2.5
98.21317	4.9
99.08089	18.5
105.07034	29.2
107.04976	5.5
107.08601	19.1
109.06513	8.3
109.10142	12.6
111.08083	81.1
113.09649	14.5
117.07029	3.6
119.08555	14.0
121.10165	14.6
123.08035	4.8
123.11688	4.2
125.09621	3.9
129.06979	4.4
131.08586	6.6
133.10136	22.2
135.11676	9.3
137.09642	3.8
137.13194	2.9
139.11180	7.9
143.08513	3.2
144.08078	5.9
145.10132	10.0
147.11676	21.2
149.09592	13.0
149.13283	12.7
151.11171	18.9
153.12781	2.8
157.10120	6.5
161.09648	2.6
161.13251	12.0
163.11174	7.9
163.14787	2.8
165.12762	29.9
169.10165	2.3
171.11760	3.3
173.13252	3.3
175.11127	4.6
175.14857	6.6
177.12833	3.5
179.14337	10.6
187.14929	2.9
220.70390	2.4
221.15305	3.2
231.21115	3.4
241.19514	7.6
249.22362	5.0
259.20581	13.2
277.21649	100.0
295.17957	10.8
295.22684	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1806
Annotation	Subincanadine D
Peak:m/z	Relative Intensity
69.26019	1.6
69.26440	2.3
71.84058	0.4
75.48250	0.4
79.05502	1.2
81.07038	1.2
82.06577	0.8
91.05460	1.2
93.07059	0.9
106.06559	1.4
108.07446	0.8
108.08127	10.7
109.06503	1.8
110.09676	2.4
115.05454	0.9
117.07021	4.1
118.06573	0.9
120.08083	1.1
120.33371	0.5
122.09673	1.4
129.07060	0.9
130.06541	3.3
131.07333	1.1
132.08078	0.6
135.07977	0.5
138.09135	2.1
143.07307	1.7
144.08089	100.0
145.08435	1.0
146.09634	0.9
152.10719	7.1
155.06041	0.8
156.08105	1.5
158.09676	1.5
164.10721	2.4
167.07317	0.8
168.08118	1.6
169.08882	0.7
170.09650	1.9
180.08073	1.3
182.09702	2.6
184.11255	0.7
194.09648	1.7
198.09404	0.5
204.08089	0.8
205.08885	1.2
206.09628	1.4
207.10535	1.0
208.11217	2.1
218.09665	1.7
219.10541	0.9
220.11198	2.5
222.12758	1.2
228.00638	0.5
231.10403	1.0
233.12134	0.5
234.12808	4.6
235.13606	0.8
236.14340	1.0
246.12837	1.1
248.14487	1.0
249.13828	1.1
251.15453	6.6
252.13864	0.7
260.14337	0.6
266.15424	1.9
277.17029	3.0
278.15549	2.6
295.18060	88.9
296.18430	1.6
305.55780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05525	3.4
53.03934	11.0
55.01866	10.8
55.05509	34.4
57.03441	5.0
57.07060	9.0
62.10101	3.0
63.66223	3.9
65.03922	5.3
67.05507	49.2
69.03419	7.1
69.07076	33.8
71.04993	6.2
79.05499	61.2
79.05935	7.4
81.03439	6.1
81.06590	7.2
81.07053	91.9
83.04971	14.3
83.08620	15.1
83.97499	3.5
85.02938	5.0
85.06556	4.5
91.05489	63.3
93.07039	95.1
95.04975	46.9
95.08605	67.7
97.06526	16.5
98.20798	8.2
103.05476	4.5
105.04520	3.9
105.07030	93.1
107.04932	5.7
107.08591	44.2
108.08109	4.4
109.06515	14.3
109.10165	27.8
115.05470	4.4
117.07027	19.4
119.05983	4.0
119.08592	92.4
120.08127	3.8
121.06514	26.6
121.10138	30.2
123.08083	9.6
123.11723	6.2
125.09669	4.2
128.06229	5.8
129.07005	20.1
130.07822	8.7
131.08577	51.2
133.10135	100.0
135.08038	9.2
135.11665	15.2
137.09596	4.8
141.06998	7.4
142.07755	26.2
143.08569	47.5
144.08102	28.2
144.09276	8.0
145.06477	5.0
145.10124	55.6
147.08083	5.6
147.11665	19.9
149.09688	8.1
149.13211	3.7
151.11189	8.7
155.08537	22.7
156.09315	22.8
157.10123	50.4
158.10902	23.7
159.08087	5.6
159.11658	31.1
160.12453	4.6
161.09639	4.9
161.13208	5.7
165.06970	5.6
165.12813	6.4
167.08572	11.6
168.09328	7.4
169.10139	24.0
170.10939	14.3
171.08134	3.8
171.11690	55.2
173.09691	4.0
173.13264	85.6
175.11212	7.6
175.14838	23.0
179.08527	9.0
180.09332	4.8
181.10097	12.2
182.10855	8.9
183.11679	21.6
185.13338	17.8
186.13969	7.5
187.14859	13.2
191.08649	3.5
192.09404	6.1
193.10143	8.3
194.10942	8.7
195.11693	13.0
196.12460	12.1
197.13261	26.2
199.14790	22.4
205.10185	5.3
206.10767	8.4
207.11621	8.9
208.12515	4.0
209.13245	20.2
211.14774	22.2
212.15581	6.2
213.12837	4.5
213.16396	6.4
221.05936	7.3
221.13309	13.8
222.14070	3.6
223.14827	6.7
225.12819	4.7
225.16478	4.0
235.12338	6.1
235.14690	5.3
236.15576	5.4
237.16325	9.1
239.14339	4.5
247.14838	11.2
249.13937	4.6
249.16402	3.7
251.17941	7.0
266.20114	4.5
267.21106	9.2
277.21637	16.7
281.24396	3.5
292.04300	3.3
295.06165	5.3
295.17917	57.1
295.20670	57.5
295.23361	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42550	0.4
66.13865	0.5
67.98515	0.5
69.94848	1.4
79.05470	0.7
80.04996	0.9
81.07056	0.9
82.06573	1.3
91.05446	0.6
93.07023	1.1
106.06557	1.5
107.08582	0.8
108.08119	8.0
109.06529	1.0
110.09665	1.5
110.71088	0.6
117.07014	2.8
118.06548	0.8
120.08136	2.5
121.06394	0.5
121.49638	0.5
122.09651	0.9
130.06523	2.5
133.07535	0.5
138.09134	1.4
143.07312	2.2
144.08087	87.4
145.08434	1.0
146.09692	0.9
152.10710	9.5
156.08116	1.5
158.09634	1.3
159.09225	0.6
164.10689	1.6
167.07344	0.8
168.08089	1.6
170.09650	1.5
177.24344	0.5
178.44695	0.5
180.08105	1.4
181.08948	0.5
182.09674	1.7
184.11273	0.9
193.08810	0.8
194.09674	1.9
197.10890	0.7
205.08885	1.1
206.09628	2.0
207.10538	1.0
208.11333	1.0
218.09692	1.1
219.10500	0.8
220.11232	0.8
222.12834	1.4
231.10596	0.7
232.11215	0.8
234.12802	4.1
235.12178	3.4
236.14354	0.6
248.14430	0.7
249.13907	3.0
250.14609	0.7
251.15396	6.2
252.13931	1.0
264.13733	0.6
266.15427	1.5
277.17020	3.8
278.15579	2.3
295.18060	100.0
296.18323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1441
Annotation	Nigellidine
Peak:m/z	Relative Intensity
53.03936	1.4
55.01877	3.7
55.05517	4.1
57.03415	0.6
57.07054	0.4
58.74140	0.3
67.05511	5.6
69.03436	1.0
69.07063	3.4
69.54688	1.1
69.55119	1.2
71.04976	0.5
71.08627	1.7
79.05496	4.6
80.05014	1.3
81.03432	2.1
81.07066	6.5
83.04994	1.9
83.08619	2.7
84.04476	0.4
85.06554	0.6
85.10167	0.5
86.93760	0.4
91.05481	3.4
93.07045	3.9
94.06521	0.4
95.04945	1.5
95.08601	3.5
97.06518	1.4
97.10149	0.9
99.08089	1.9
105.07047	3.2
107.04934	0.5
107.08615	2.6
108.04483	4.2
108.08138	0.5
109.02885	0.7
109.06557	0.6
109.10143	1.6
111.04410	0.7
111.08085	2.7
113.09639	0.6
117.07030	0.8
119.08568	1.6
120.08092	0.5
121.10138	1.8
123.08044	1.0
123.11655	0.5
125.09618	0.7
129.07019	1.4
130.06535	1.5
131.08501	0.4
133.10129	1.8
135.04402	0.9
135.08101	0.5
135.11700	1.3
137.09634	0.5
139.11159	0.4
144.08089	18.0
145.02856	0.6
145.10123	0.6
147.11703	1.7
149.09607	1.1
149.13277	1.1
151.11177	1.7
154.06497	1.2
155.07314	0.7
156.08093	2.9
157.10059	0.5
158.06044	0.4
159.11722	0.5
161.13277	0.5
163.03918	5.3
163.11205	0.7
163.47044	0.4
165.12772	1.7
167.07275	0.8
168.08112	1.7
169.07571	0.9
170.09644	1.9
171.11636	0.4
173.13213	0.4
179.14320	0.5
180.08095	0.8
182.09734	0.7
182.38322	0.4
194.09697	1.6
195.09225	1.3
202.06941	0.5
204.08156	0.5
206.09702	1.0
207.09174	0.7
207.13751	0.6
208.09943	2.4
221.10728	22.1
222.11395	0.9
223.08937	0.6
223.12315	13.6
235.12296	1.6
236.70096	0.4
237.18430	0.4
247.12132	0.4
249.10260	2.8
249.13951	1.1
251.11804	100.0
252.12178	1.3
259.20523	0.6
277.21643	5.6
295.14420	45.9
295.18045	17.7
295.22452	3.1
296.14719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01876	2.6
55.06089	0.8
55.62467	0.8
57.03440	7.3
59.05012	1.2
61.02931	10.2
67.05489	0.7
69.03432	21.8
69.07072	9.1
70.26659	2.9
71.04994	2.4
73.02934	4.2
74.55916	0.7
79.05512	1.4
81.03426	8.6
85.02909	100.0
87.04482	3.1
87.08112	13.2
89.03953	0.7
91.03955	4.9
91.05499	0.9
97.02894	20.1
99.04460	5.1
101.02361	1.2
105.07042	1.3
107.04958	3.0
109.02885	9.0
109.06560	0.8
115.03949	2.2
120.08135	1.8
123.04448	0.9
127.03928	20.1
133.04997	1.3
145.04961	24.1
150.07762	5.4
151.03926	4.6
151.07550	0.9
163.03931	5.3
163.06027	3.0
165.07007	2.9
177.09135	1.2
188.59851	0.8
193.06587	1.7
221.05988	24.5
234.98871	1.1
239.07057	1.1
249.02989	0.7
249.05443	12.8
267.06482	1.9
277.04977	4.4
285.07513	1.8
295.06024	29.6
295.09134	1.2
295.16840	2.6
296.06363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
54.04280	2.2
55.01873	12.3
55.05515	34.9
56.02216	3.2
56.05859	9.4
56.17537	1.7
57.03432	2.2
60.94403	1.7
65.03902	2.7
66.04247	2.0
67.05499	24.1
68.05840	12.9
69.03419	3.7
69.07076	13.7
70.07397	4.8
71.04992	2.0
71.48959	2.4
71.49322	1.7
79.05080	3.0
79.05496	47.8
80.05830	26.4
81.03413	4.3
81.07066	29.9
82.07392	16.6
83.04995	4.8
83.08627	13.5
84.05319	2.5
84.08937	7.1
85.06548	2.3
91.05485	28.4
92.05827	15.0
93.07034	22.0
94.07384	12.4
95.04967	8.7
95.08615	12.1
96.05306	3.7
96.08940	6.2
97.06539	8.1
97.10184	17.6
97.31536	1.7
98.06839	2.3
98.10512	15.7
105.07031	29.6
106.07378	17.9
107.04945	8.3
107.08601	68.9
108.05293	6.0
108.08929	58.3
109.06528	8.8
109.10183	5.3
110.06828	4.4
110.10482	5.0
111.08101	3.6
117.07006	7.0
118.07355	4.9
119.06097	2.0
119.08585	13.9
120.08933	13.4
121.10136	7.2
121.12883	1.8
121.42269	1.8
122.06833	2.6
122.10487	5.9
123.08076	1.9
124.08408	1.9
125.09647	16.7
126.09992	11.3
129.07024	2.3
131.08546	3.6
132.08890	8.4
133.10162	10.5
134.10495	12.2
135.08052	4.6
135.11690	3.4
135.81854	1.7
136.08400	4.3
136.12027	3.4
143.08620	2.2
144.08975	1.9
145.10141	5.7
146.10475	11.8
147.08047	2.4
147.11691	6.4
148.12015	11.5
149.08607	2.1
149.09651	11.1
150.09973	12.1
153.09123	3.4
159.11710	3.3
160.12071	5.5
161.09665	2.1
162.10017	2.4
162.13588	5.0
163.11205	3.3
164.11545	2.8
165.09119	2.2
166.09586	2.3
172.12015	2.7
173.13336	2.3
174.13722	2.0
189.11244	10.8
190.11560	10.8
216.18298	2.1
228.40160	2.2
230.19991	3.6
240.18224	2.4
248.20886	2.0
252.15808	4.3
258.19363	14.0
276.20413	100.0
277.21466	1.8
281.04852	1.8
294.16953	3.8
294.20932	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	294.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01865	10.0
55.05516	30.1
55.64301	3.7
56.05838	6.9
57.03412	5.1
57.07074	3.9
59.96472	3.7
60.49028	3.4
61.25031	3.5
65.03943	6.3
65.51266	3.7
67.05506	53.8
68.05832	19.2
69.07061	28.5
69.38502	27.5
70.07395	8.2
71.04979	4.1
71.58786	3.6
79.05495	48.9
80.05826	26.9
81.03441	5.6
81.07056	100.0
82.07393	54.2
83.04951	7.2
83.08619	16.0
84.08939	7.7
85.06544	4.0
86.09698	12.3
91.05477	36.4
92.05804	16.3
93.07047	31.8
94.07375	19.6
95.04973	28.2
95.08592	28.4
96.05305	17.1
96.08932	13.1
97.06519	16.2
98.06841	5.1
105.07021	31.4
106.07368	28.1
107.04927	8.9
107.08578	26.8
108.08924	15.0
109.06530	26.4
109.10163	21.9
110.06837	15.7
110.10456	16.5
111.08114	4.6
117.07007	7.2
118.07420	3.9
119.08581	34.3
120.08909	21.3
121.06525	3.9
121.10127	11.5
122.06866	6.1
122.10490	11.5
123.08083	15.6
123.11722	5.9
124.08382	7.5
124.99997	9.4
125.09631	4.8
129.07005	4.8
131.08557	12.7
132.08913	11.7
133.10144	21.3
134.10434	19.3
135.08015	6.0
136.11986	6.7
137.06007	9.1
137.09628	7.7
138.09949	9.2
141.14221	3.9
145.10124	9.9
146.10454	9.2
147.11678	8.9
148.12025	14.2
149.09604	9.7
150.09952	7.7
150.13567	7.3
151.11253	6.9
152.11493	4.4
157.10124	5.2
159.11703	5.8
160.11995	7.0
162.09929	4.4
162.13557	4.8
166.13074	5.8
175.32817	3.8
184.07401	21.0
198.13579	5.5
224.13652	5.2
234.19229	4.1
237.69072	3.6
248.20984	6.6
258.19391	9.2
262.50720	4.1
276.20407	90.4
294.16852	6.6
294.21448	51.0
295.17950	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	294.1701
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
54.20943	0.3
55.05500	0.8
57.03443	0.4
59.05024	0.8
60.80057	0.3
65.03955	0.3
69.03434	0.6
69.07066	4.9
72.82467	0.3
73.06556	2.8
77.86198	0.3
81.07067	0.4
85.02911	0.4
97.06525	0.4
100.07621	0.7
108.08188	0.3
110.06066	0.6
112.07633	0.3
113.87040	0.3
118.06573	0.9
119.07408	0.3
120.08112	100.0
121.08484	0.5
133.21494	0.4
143.90799	0.3
144.08124	1.4
148.07594	0.8
234.14899	72.7
235.15231	0.5
262.14359	1.2
266.71451	0.4
294.17010	46.0
295.17966	1.7
299.45972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03950	10.3
55.01868	12.0
55.05516	28.1
57.07087	4.6
66.70638	2.4
67.05512	41.2
69.03420	3.0
69.07073	24.9
69.09943	2.6
69.14362	10.4
69.14790	17.6
71.05009	3.8
76.75402	2.9
77.77590	2.3
79.05505	51.5
79.05929	5.5
81.03421	11.6
81.07063	100.0
83.04973	9.0
83.08622	19.6
85.06546	4.1
91.05485	29.7
92.49700	3.8
93.07050	32.9
95.04967	28.2
95.08609	27.3
97.06562	15.9
97.10188	6.3
98.20802	4.9
99.08163	2.9
105.07040	31.7
107.04952	13.6
107.08607	22.9
109.06528	43.0
109.10181	13.3
111.08045	6.2
117.07044	12.0
119.08592	24.2
121.06516	7.0
121.10170	18.6
123.08078	11.6
123.11691	6.3
125.09664	6.1
131.08597	12.6
133.10144	23.4
135.08087	5.1
135.11699	6.8
137.09650	7.0
143.31677	3.4
145.10147	18.0
147.08055	3.6
147.11674	20.3
149.09653	16.7
149.13274	4.5
151.11180	9.4
157.10161	5.0
159.11707	8.3
161.09625	3.2
163.11180	12.1
165.09135	4.7
165.12762	8.8
169.10225	3.9
173.09647	4.5
173.13255	5.7
175.11235	3.5
177.12752	2.8
193.12355	4.8
219.13771	4.9
223.13281	4.9
229.19443	3.6
247.20598	6.9
249.13925	9.6
257.18988	12.9
275.20123	88.0
293.16476	24.7
293.21152	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	7.7
55.01874	11.8
55.05515	26.9
56.96546	2.7
57.03437	3.9
57.07080	3.7
60.89457	2.2
67.05508	49.4
69.03432	3.1
69.07079	21.1
71.04988	6.8
71.39100	3.2
79.05499	52.1
81.03426	11.9
81.07058	100.0
83.04986	9.6
83.08632	18.7
85.06544	3.3
91.05484	43.0
91.27766	2.2
92.52802	2.1
93.07050	36.7
95.04973	20.8
95.08600	31.4
97.06537	13.5
97.10165	7.3
99.08092	4.2
103.05468	11.9
105.07035	37.7
106.97559	1.9
107.04955	11.9
107.08588	29.1
109.06531	43.9
109.10168	14.5
111.08084	7.4
111.73807	2.1
117.07047	12.0
119.08582	25.6
121.06504	5.4
121.10150	20.7
123.08082	16.7
123.11673	7.1
125.09623	6.8
129.07021	3.2
131.04947	22.5
131.08553	17.7
133.10126	23.2
135.08069	5.8
135.11699	8.3
137.09610	5.8
141.06950	3.0
143.08504	3.5
145.06500	3.1
145.10155	13.0
147.11690	18.4
149.09665	17.4
149.13226	5.5
151.11194	9.2
155.08607	2.9
157.10133	5.0
159.11684	11.5
161.13182	2.7
163.11230	13.6
165.09108	3.7
165.12758	4.5
169.10088	3.4
171.11681	2.3
173.09595	3.0
173.13321	7.9
175.11169	5.4
177.12735	6.5
187.11198	2.8
189.11267	2.7
193.12199	3.5
197.13228	3.8
221.10701	3.2
229.19501	4.3
235.12410	3.2
239.17950	5.1
247.20654	9.6
249.13884	7.7
251.15448	3.5
257.18967	9.4
275.20074	94.5
276.20398	2.5
293.16483	43.0
293.21106	46.0
293.27789	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.0
53.46164	1.8
55.01876	12.2
55.05513	29.2
57.03426	1.7
57.07059	2.9
63.91507	2.4
65.03945	2.2
67.05511	50.7
69.03433	3.6
69.07066	22.4
70.20802	6.7
71.05000	2.7
74.92856	1.7
79.05495	50.6
81.03437	8.9
81.07056	69.7
83.04991	9.2
83.08616	17.4
85.06544	3.1
91.05478	29.6
93.07052	36.3
95.04971	18.6
95.08604	35.3
97.02802	1.9
97.06534	17.3
97.10176	12.4
98.21452	2.2
99.08089	2.0
103.05483	8.5
105.07035	35.0
107.04960	12.0
107.08591	40.8
109.06517	20.4
109.10152	20.3
111.08080	6.9
111.63541	1.6
117.06990	9.0
119.08584	22.0
121.06483	7.7
121.10144	16.2
123.08066	10.3
123.11697	7.7
125.09630	14.0
129.07010	3.5
131.04944	18.5
131.08568	14.8
133.10149	23.4
135.08026	6.4
135.11723	8.8
137.09612	7.9
139.11131	3.5
143.08574	4.5
145.06465	2.5
145.10146	13.2
147.11687	15.2
149.09613	20.3
149.13211	4.3
151.11176	7.6
157.10156	3.4
159.11784	9.0
161.09578	2.3
161.13235	5.1
163.11191	9.2
165.09097	8.0
165.12726	2.9
169.10213	2.3
171.11708	6.6
173.09718	2.6
173.13258	6.6
177.12775	2.9
187.11169	4.8
189.11174	5.8
193.12184	2.6
195.13869	2.5
197.13292	3.9
207.13795	2.0
211.14766	1.8
229.19519	4.9
239.17952	6.4
247.20599	7.4
249.13876	6.4
257.18982	13.2
275.20065	100.0
293.16495	19.1
293.21082	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
54.41030	0.8
55.01870	2.2
55.05494	4.0
55.72155	1.0
57.03429	1.4
60.96972	1.0
67.05507	8.3
69.03422	3.8
69.07068	5.1
70.81189	0.8
70.81526	1.4
71.04983	3.5
77.03907	1.0
79.05505	14.6
80.05843	0.9
80.84282	0.9
81.03424	5.4
81.07063	26.6
83.04989	1.6
83.08621	2.4
85.02894	4.6
85.06535	4.0
85.48996	0.8
86.61423	0.9
91.05481	9.5
93.07054	13.2
95.04976	4.4
95.08614	14.1
97.02942	0.9
97.06538	41.9
97.10158	1.2
99.04427	1.1
103.05473	16.3
105.04441	0.8
105.07044	12.1
107.04955	1.6
107.08600	18.8
108.08110	1.2
109.02886	1.9
109.06528	40.5
109.10158	5.7
111.08078	3.1
113.09653	2.5
117.07011	2.4
119.08585	12.9
121.06507	3.3
121.10158	12.7
123.08081	5.3
123.11743	1.7
125.09649	2.1
129.06955	1.5
131.04939	45.6
131.08557	3.3
133.10164	7.1
135.08047	6.8
135.11703	5.1
137.09642	6.1
139.11183	1.8
143.08574	2.5
144.08102	6.2
145.10107	4.7
147.10692	1.0
147.11693	5.7
149.06055	1.4
149.09659	5.9
149.13287	1.5
151.11179	1.5
157.10118	4.1
159.11710	7.2
160.72299	0.9
161.09598	1.9
161.13234	1.2
163.11197	4.0
168.08159	2.0
170.09618	2.9
171.11746	1.7
173.13271	3.4
175.11220	1.4
175.14838	2.9
177.12781	0.9
180.08116	1.2
182.08377	1.7
183.09221	1.0
183.11734	1.5
184.09982	1.2
185.10760	1.5
187.14796	2.4
189.16284	0.9
194.09691	1.0
197.10660	1.2
199.14815	3.4
201.12663	1.3
215.18010	2.0
217.15851	2.8
221.10744	6.8
223.12262	1.4
227.17873	1.4
233.10727	1.4
233.19029	1.6
234.11612	2.5
235.12381	6.8
235.16872	4.9
236.13222	1.2
239.17995	1.5
247.12395	4.5
248.12982	2.0
249.13904	36.9
250.14555	2.1
251.15494	12.8
257.19003	4.5
263.15662	1.2
263.20142	1.6
265.13272	0.9
275.09073	1.5
275.20111	17.5
293.16510	100.0
293.21106	9.4
294.16840	1.9
301.83862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	19.1
55.01878	15.2
55.03747	2.4
55.05515	63.8
55.51836	2.6
65.03928	4.3
67.05506	61.3
69.03446	2.8
69.07070	22.4
70.06041	11.9
70.34647	2.4
71.04974	4.4
71.75642	2.4
79.05499	50.2
81.03422	39.5
81.06593	4.1
81.07053	62.9
82.26617	2.4
82.90997	2.5
83.04964	10.5
83.08150	4.8
83.08620	67.0
91.05489	37.4
92.68353	2.4
93.07050	44.2
95.04969	46.0
95.08602	28.3
97.06525	10.4
97.10189	16.2
105.07030	30.4
107.04951	34.9
107.08578	30.0
109.06532	17.6
109.10147	10.1
111.08105	13.3
117.06999	19.3
118.46287	2.6
119.08590	23.5
121.06545	6.5
121.10126	30.2
123.08067	6.1
123.11697	4.8
124.76319	2.9
125.09602	10.1
129.07095	5.8
130.07800	3.0
131.08592	15.4
133.10170	14.3
135.08096	5.6
135.11684	16.3
137.09639	3.3
145.06474	5.9
145.10143	27.1
147.08058	4.7
147.11737	13.4
149.09621	41.2
153.09032	2.8
155.08556	5.9
157.10054	3.3
159.11690	11.6
161.09656	2.9
163.11189	38.3
165.12766	9.9
169.10094	3.3
171.10158	3.3
171.11658	4.2
173.09637	16.2
173.13191	3.1
175.11162	3.1
177.12599	2.6
187.11166	2.9
189.11194	3.5
189.12753	3.6
191.10762	4.8
201.12683	3.7
209.11551	3.4
223.13316	11.2
229.19420	3.9
239.17943	4.0
247.20540	5.5
249.14052	3.3
257.19046	8.8
275.20044	75.3
293.21109	100.0
294.21429	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03937	5.4
55.01871	26.9
55.05272	4.1
55.05512	53.6
57.03408	3.3
67.05508	36.7
69.03437	5.9
69.07071	17.7
69.37431	19.4
69.37844	7.4
71.05000	3.4
72.52269	2.9
79.05495	71.5
80.61173	2.9
81.03410	9.3
81.07060	40.1
83.04966	9.8
83.08633	23.0
91.05486	30.6
93.07048	34.9
95.04970	12.3
95.08611	13.9
97.06530	32.3
97.10166	18.6
105.07037	28.8
107.04958	42.5
107.08601	51.5
109.06505	9.9
109.10176	17.7
117.07011	12.2
119.08578	19.6
121.10153	18.4
122.61092	3.0
123.08087	5.6
123.11668	6.0
125.09617	30.4
131.08551	11.5
133.10109	18.8
135.08058	6.3
135.11714	8.7
145.10135	7.6
147.11658	15.5
149.09637	69.1
153.09142	6.9
153.10458	3.1
159.11659	6.9
161.13242	5.6
163.11157	7.0
165.12691	4.1
167.10712	3.2
169.12128	4.9
171.10139	8.3
173.11751	3.1
173.13148	4.1
189.11252	18.1
229.19423	9.2
239.17986	4.9
247.20668	5.1
257.19012	18.8
275.20065	100.0
283.48065	3.1
293.21130	25.7
295.11972	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03951	24.9
55.01862	23.6
55.05501	19.3
63.11647	4.5
67.05507	58.0
69.07064	35.7
71.05010	5.4
71.10432	6.7
79.05496	45.4
81.03429	54.6
81.07058	100.0
83.04980	13.3
83.08612	8.3
91.05490	50.4
93.07044	42.9
95.01351	6.6
95.04965	15.1
95.08604	45.0
97.06553	26.5
97.10155	8.9
105.07027	76.1
107.04958	22.2
107.08602	19.0
109.06514	19.4
109.10140	5.9
117.07015	16.9
119.08562	36.5
121.06512	5.4
121.10142	12.0
123.08104	12.6
123.11736	4.3
131.08580	18.8
133.06467	4.3
133.10123	38.8
135.11685	10.2
142.82555	4.5
145.10139	16.6
147.11690	17.6
149.09668	7.4
149.13277	6.0
151.11165	4.7
157.10103	6.5
159.11688	18.7
161.13263	7.7
163.11191	10.0
165.09076	5.9
169.10130	5.3
177.12695	7.6
179.14305	14.3
187.11284	8.7
204.28818	4.8
205.12355	4.9
247.20580	5.2
257.19028	8.4
275.20023	70.0
293.21191	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03953	9.2
55.01871	17.2
55.05275	2.3
55.05512	35.3
57.03432	3.7
57.07066	6.9
64.08653	1.9
67.05505	63.2
68.90694	2.0
69.03443	2.3
69.07072	34.8
69.92393	8.2
71.04961	2.8
78.93816	1.8
79.05494	57.4
80.01654	1.7
81.03419	10.2
81.07058	100.0
83.04993	9.9
83.08617	21.2
85.06535	3.3
91.05484	41.0
93.06499	2.4
93.07053	45.5
95.04967	50.9
95.08607	36.3
97.06540	15.0
97.10168	9.6
103.05405	2.7
105.07029	40.7
107.04960	15.4
107.08601	39.1
108.05199	1.9
108.90576	1.8
109.06516	28.5
109.10152	22.7
111.04411	3.0
111.08066	6.2
115.07577	2.9
117.07019	12.5
119.08577	38.0
121.06503	8.9
121.10143	20.6
123.08057	13.9
123.11696	6.9
125.09599	7.9
129.06978	2.6
131.04953	2.5
131.08585	18.0
133.10139	29.1
135.08049	8.9
135.11682	9.8
137.09598	8.2
143.08582	2.3
145.10120	18.0
147.08090	4.8
147.11658	15.1
149.09621	24.2
149.13293	2.8
151.11203	10.4
154.50423	1.9
155.08595	3.0
157.10051	4.6
159.08044	3.4
159.11656	15.7
159.54703	1.9
161.09621	3.1
161.13226	4.1
163.11203	16.3
165.09128	4.4
165.12756	2.2
169.10123	3.5
171.11612	2.5
173.13208	4.3
175.11160	3.7
177.12697	3.3
183.11685	3.1
187.11215	4.2
187.14879	3.8
197.07289	4.4
223.13298	11.7
229.19539	3.9
239.18013	5.1
247.20560	6.4
249.13852	4.4
257.19003	14.9
275.20056	90.4
275.38480	2.1
293.16687	10.5
293.21082	55.9
294.21417	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	3.6
55.01872	6.7
55.05508	20.5
57.03419	4.5
57.07076	2.5
58.93743	2.0
65.03934	3.3
67.05183	3.5
67.05507	43.5
69.03429	3.8
69.07070	29.8
69.39771	15.8
71.04992	5.5
77.94227	1.9
79.05495	40.7
81.03411	7.2
81.07058	100.0
81.07539	4.8
83.04980	5.6
83.08623	12.2
83.67610	2.4
85.06555	3.5
91.05479	28.4
93.07050	33.9
95.04972	20.6
95.08608	29.7
97.06511	6.9
97.10149	3.9
98.21481	3.6
100.25812	2.2
105.07037	31.3
107.04954	6.6
107.08608	21.8
108.46771	2.1
109.06526	23.9
109.10172	16.0
111.08089	4.7
113.74744	2.0
117.07014	7.9
119.08578	27.5
121.06510	8.3
121.10167	14.0
123.08084	17.8
123.11707	7.3
125.09625	3.3
129.06981	2.5
131.08572	14.0
133.10152	20.1
135.08046	6.2
135.11703	6.5
137.09618	7.5
141.06915	2.1
145.10141	9.3
147.11710	14.5
149.09612	10.0
149.13304	3.9
151.11174	5.2
157.10077	3.5
159.11720	7.7
161.13278	3.5
163.11166	6.7
165.12764	2.2
169.10144	3.1
171.37483	2.5
173.13293	4.5
177.12816	2.7
183.11668	2.2
185.13213	2.2
237.14969	2.5
247.20540	3.1
257.19037	6.5
275.20099	59.3
285.31335	2.1
293.21149	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	12.1
55.01874	17.0
55.05516	41.8
56.28893	2.1
57.03428	4.8
57.07063	6.2
65.03915	3.5
67.05511	48.0
69.03428	5.4
69.07074	28.3
69.32876	21.1
71.05000	5.9
71.08658	4.9
79.05495	60.3
81.03419	15.9
81.07060	100.0
82.07384	3.2
83.04983	8.5
83.08624	18.4
84.21680	2.3
85.02934	2.5
85.06535	6.1
91.05482	39.8
93.07053	43.9
94.07324	2.3
95.04975	42.7
95.08612	36.4
97.06523	11.2
97.10153	15.8
99.08111	6.5
103.05499	5.8
105.07039	36.6
107.04968	17.0
107.08593	58.3
109.06524	42.0
109.10165	10.9
111.08111	7.9
115.05431	2.7
117.07027	15.2
119.08588	26.4
121.06519	10.3
121.10146	17.6
123.08080	9.9
123.11719	5.9
125.09631	16.5
127.61792	2.3
129.07047	3.4
131.04930	8.1
131.08582	19.5
133.10147	22.0
135.08067	6.2
135.11725	11.5
137.09612	6.6
141.09036	3.3
143.08572	7.3
145.06508	4.3
145.10097	19.5
146.10330	2.2
147.08075	4.0
147.11723	14.3
149.09625	27.0
149.13251	3.7
151.11183	7.6
153.09164	2.5
155.08546	3.4
157.10124	3.6
159.11736	11.6
161.09595	3.6
161.13248	6.9
163.11224	12.1
165.12738	3.9
169.10146	3.6
171.11700	4.1
173.13255	6.0
175.11218	3.2
177.12776	5.8
179.14331	5.7
183.11676	3.5
185.13310	3.9
187.11166	3.6
189.11238	7.3
201.12776	3.8
219.13826	3.1
219.17426	4.1
223.13300	8.5
229.19586	5.9
239.17986	6.0
241.38196	2.3
247.20534	6.3
249.13902	6.7
257.19037	8.2
275.20081	86.9
293.16510	33.8
293.21085	68.3
293.28033	4.2
313.05978	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	2.0
55.01882	6.0
55.05514	13.9
55.76136	1.3
57.03428	2.9
57.07069	2.3
57.72338	1.2
65.03954	1.3
67.05187	2.0
67.05510	27.7
69.03433	2.5
69.07072	20.1
69.40663	2.4
69.41063	7.7
69.53770	1.1
71.04974	2.5
71.05740	1.2
79.05078	1.7
79.05501	25.5
81.03426	3.2
81.07059	42.8
83.04963	5.6
83.08601	5.2
85.06532	2.2
91.05476	16.9
93.07047	25.1
95.04976	8.7
95.08607	19.6
97.06516	4.8
97.10136	3.5
98.21567	1.3
105.07037	27.5
107.04961	8.2
107.08599	16.1
108.33833	1.3
109.06522	17.4
109.10177	9.9
109.86533	1.5
111.08044	1.4
117.07026	5.8
119.08603	17.0
121.06523	7.7
121.10143	9.5
123.08064	4.8
123.11737	3.2
125.09636	1.5
125.94214	1.1
129.06975	2.1
131.08569	13.4
133.06526	2.3
133.10141	17.1
135.08058	2.4
135.11655	4.1
137.09604	4.2
143.08560	1.9
145.06416	1.6
145.10147	10.8
147.08067	2.6
147.11699	11.8
149.09615	5.3
149.13295	2.2
151.11223	7.2
157.10083	3.1
159.07990	1.3
159.11757	6.5
161.09625	3.0
161.13234	4.0
163.11140	5.2
171.11711	2.3
173.09558	2.4
173.13235	5.7
175.11226	3.0
177.12732	1.6
183.11728	3.6
187.14792	1.5
189.12782	1.5
191.14287	2.9
193.12245	1.4
197.13235	1.4
201.12820	2.0
205.19504	2.1
207.13799	2.1
215.14336	2.1
219.13791	5.0
229.19496	2.9
239.17853	4.0
247.20731	2.9
257.19028	13.9
275.20084	100.0
275.41425	1.3
293.16382	2.8
293.21127	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	8.4
55.01872	15.2
55.05508	29.6
57.07072	8.3
65.03937	4.2
67.05504	58.3
69.03420	5.1
69.07067	37.2
69.18314	33.7
71.05004	8.0
74.40287	2.7
78.07343	2.6
79.05497	54.8
81.03441	13.9
81.07060	100.0
83.04977	11.2
83.08617	23.3
84.46459	3.0
85.06518	2.9
91.05485	40.9
93.07048	45.1
95.04976	47.9
95.08607	40.5
97.06525	16.0
97.10162	7.2
105.07038	37.5
107.04958	15.1
107.08596	33.9
109.06523	29.4
109.10155	24.2
111.08040	7.6
117.07022	12.4
119.08588	38.9
121.06505	8.8
121.10159	18.6
123.08043	26.5
123.11716	8.6
124.50054	2.7
125.09570	6.0
129.07045	4.2
131.08580	18.5
133.10143	23.6
135.08035	7.7
135.11691	8.4
136.52243	3.2
137.09625	9.8
143.08508	4.0
145.06496	3.8
145.10130	16.1
147.11694	20.3
149.09624	23.6
149.13202	4.1
151.11191	10.8
157.10150	6.4
159.11719	15.0
161.09602	3.6
161.13206	6.2
163.11185	11.9
165.09096	5.3
165.12712	6.7
173.09608	3.7
173.13283	9.6
175.11180	4.1
177.12735	3.8
183.11749	3.7
197.13283	2.8
209.11613	4.7
213.16611	3.3
223.13298	4.7
235.12125	3.4
237.11182	10.5
237.14862	6.1
239.17932	3.6
247.20699	8.4
249.13884	12.6
257.19031	10.4
275.20090	92.5
293.16452	21.1
293.21100	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	4.7
55.01886	10.5
55.05509	26.8
57.03440	13.6
57.07080	2.3
57.37412	1.8
65.03939	3.6
67.05505	50.2
67.21089	2.1
69.07072	18.1
71.04995	2.8
79.05495	50.6
81.03430	6.4
81.07057	100.0
83.04986	7.9
83.08618	14.7
85.06514	2.9
90.45115	1.9
91.05483	39.1
93.07050	39.6
95.04974	19.0
95.08614	31.4
97.06546	8.4
97.10113	3.9
98.20701	3.2
98.76670	2.3
104.67968	1.8
105.07037	41.2
107.04969	9.1
107.08595	26.0
109.06519	30.6
109.10169	15.6
111.08074	5.7
117.07023	13.6
119.08585	33.9
121.06505	5.8
121.10162	16.0
123.08032	10.8
123.11701	5.5
123.53556	1.7
125.09669	2.6
129.07021	4.5
131.08557	19.7
133.10132	25.3
135.08055	6.2
135.11691	9.4
137.09616	8.6
145.10123	17.7
147.11696	18.0
149.09624	13.8
149.13330	4.3
151.11143	3.5
157.10173	6.2
159.11681	13.6
161.13318	4.2
163.11183	8.9
163.14783	1.9
164.21632	1.9
165.12764	3.6
173.13248	6.1
175.11168	2.8
201.16379	5.5
203.14314	3.4
219.17445	74.4
221.15257	2.6
229.19571	3.0
239.17973	4.4
247.20578	6.6
257.19009	9.3
258.57513	2.0
265.95401	2.0
275.20059	69.5
293.16455	1.9
293.17676	2.7
293.21054	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03951	3.1
54.53693	1.0
55.01867	4.6
55.05520	12.8
57.03440	2.2
57.07078	2.1
65.03934	1.7
67.05513	29.6
69.03424	2.4
69.07076	22.4
69.87706	5.1
71.04996	1.6
76.15820	1.1
79.05511	19.9
81.07069	34.8
83.04996	7.0
83.08628	5.5
85.06549	1.8
91.05496	22.4
93.07050	25.2
95.04992	8.2
95.08624	21.0
97.06561	3.2
97.10184	3.4
98.21479	1.3
105.07043	22.8
107.04967	6.6
107.08614	14.4
109.06535	10.1
109.10172	10.3
111.08071	1.6
117.07056	6.5
119.08592	11.1
121.06525	9.0
121.10148	8.6
123.08081	4.6
123.11759	2.5
125.09627	1.4
131.08575	15.4
133.06491	2.4
133.10150	17.7
135.08078	4.3
135.11700	4.5
137.09639	2.7
143.08572	2.1
145.06525	1.8
145.10110	9.4
147.08073	2.7
147.11690	13.9
149.09679	5.3
149.13280	2.8
149.31342	1.0
151.11188	6.9
155.08562	2.0
157.10170	3.2
158.64789	1.2
159.08055	1.3
159.11732	6.4
161.09604	2.1
161.13255	2.5
163.11200	4.6
168.49664	1.1
171.11679	2.5
173.09637	2.2
173.13260	4.6
175.11179	2.6
177.12817	1.9
180.82375	1.1
183.11652	1.6
185.13309	1.4
187.11293	2.1
191.14331	3.0
197.13269	1.4
201.12766	2.6
207.13834	3.6
213.16547	1.2
215.14246	2.0
215.17993	1.2
218.61725	1.0
219.13837	6.7
229.19528	2.3
233.18971	1.3
237.14792	1.3
239.17953	3.1
247.20695	2.5
257.19046	12.6
275.20102	100.0
276.20465	1.7
293.21136	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.07753	2.0
53.03935	5.6
55.01875	8.4
55.05504	20.5
57.03436	3.0
67.05180	3.4
67.05508	36.7
69.07072	17.8
70.74314	5.1
71.04981	2.4
73.27901	2.1
79.05495	38.3
81.03421	7.4
81.07059	100.0
83.04986	5.7
83.08617	15.5
85.06547	3.4
91.05487	29.4
93.07056	23.4
95.04961	18.1
95.08607	19.9
97.06534	8.5
105.07040	23.2
107.04954	11.4
107.08607	15.6
109.06518	44.1
109.10139	9.1
111.08079	7.8
117.07008	6.2
119.08590	19.7
121.10169	10.3
123.08067	13.2
123.11706	2.7
125.09690	3.7
131.08560	10.6
133.10127	16.8
135.08046	5.8
135.11693	9.0
137.09613	7.6
145.10132	12.1
147.08044	3.4
147.11696	20.9
149.09618	10.9
149.13219	5.3
151.11115	4.3
159.11722	7.3
161.13370	2.6
163.11234	11.3
165.12761	6.5
173.09615	3.8
173.13309	5.4
175.11198	4.5
183.11798	3.1
191.87277	2.2
193.12317	3.8
207.13879	2.9
223.13326	2.4
247.20555	5.7
257.19107	7.6
275.20090	74.3
293.21088	46.2
301.98859	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	4.8
55.01866	12.4
55.05513	70.8
57.03434	4.3
57.07055	2.9
65.03946	2.5
67.05180	2.6
67.05508	34.3
69.03425	3.2
69.07074	16.8
69.87650	2.4
69.88054	5.9
71.04990	3.2
76.69566	1.6
79.05494	48.3
81.03409	7.3
81.07057	38.2
83.04991	10.6
83.08163	2.4
83.08624	36.6
85.02892	3.2
91.05488	24.3
93.06492	2.2
93.07050	34.0
95.04967	100.0
95.08604	13.6
96.32917	1.9
97.06509	6.3
97.10175	34.0
103.05453	1.9
104.61491	1.7
105.07034	24.7
107.04958	15.0
107.08592	48.6
109.06495	8.2
109.10168	13.3
111.04453	1.8
111.08078	4.6
117.07001	8.2
119.08567	20.4
121.06499	5.7
121.10145	16.4
123.08074	3.4
123.11739	4.2
125.09642	26.5
129.07010	2.5
131.08562	18.4
133.06465	2.3
133.10129	18.1
135.08084	9.3
135.11700	7.9
137.09634	2.2
143.08548	3.3
145.10127	17.9
147.08066	5.2
147.11644	10.9
149.09619	75.3
151.11168	1.7
153.09079	3.9
155.10706	1.7
157.10201	3.0
157.34975	1.9
159.11661	10.9
161.09650	2.9
161.13234	4.0
163.11179	29.6
165.12730	2.1
169.10204	1.9
171.10167	5.8
171.11722	2.6
173.13269	3.1
174.17519	2.0
177.12747	3.6
183.11682	1.9
187.11139	3.9
189.11247	12.0
193.12346	2.0
205.12247	6.2
209.11737	1.7
211.13235	3.1
223.13310	32.0
229.19519	3.4
237.11197	3.1
239.17989	4.9
247.20549	4.8
257.18985	12.9
275.20071	83.7
293.21121	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	4.7
55.01872	12.0
55.05281	1.7
55.05516	25.2
57.03424	3.8
57.07069	2.3
65.03928	2.6
67.05508	51.3
69.03423	3.8
69.06738	1.7
69.07072	21.6
70.16598	4.6
70.16967	2.2
71.04977	6.0
71.06809	1.3
79.05497	51.8
81.03419	10.5
81.07059	100.0
81.50835	1.3
83.04996	8.7
83.08620	15.8
85.06541	3.9
85.10178	1.6
91.05483	35.7
93.07048	38.9
95.04981	21.9
95.08612	35.3
97.02868	1.6
97.06535	9.9
97.10158	6.0
97.20244	1.5
98.21490	2.2
103.05452	5.3
105.07037	32.7
107.04970	11.5
107.08599	29.1
109.05814	2.8
109.06522	41.5
109.10164	20.3
111.04490	1.3
111.08081	6.6
117.07016	11.5
119.08583	30.6
121.06492	7.0
121.10148	17.8
123.08076	12.9
123.11710	7.1
125.09658	7.6
129.06993	5.1
131.04930	14.3
131.08566	15.2
133.06509	3.0
133.10130	25.8
133.22781	1.3
135.08017	6.9
135.11681	9.8
137.09636	8.5
139.11162	2.9
142.07852	1.5
143.08565	1.8
144.08066	2.1
145.06451	3.2
145.10120	17.2
147.08047	2.8
147.11684	17.9
149.09637	18.5
149.13239	7.3
151.11180	8.4
155.08577	3.4
157.10095	5.5
159.08136	1.8
159.11690	10.9
161.09619	2.4
161.13214	6.3
163.11174	15.3
163.14783	3.0
165.09134	4.0
165.12784	5.7
169.10065	3.2
171.11671	3.6
173.09622	3.5
173.13219	10.0
173.86578	1.5
175.11189	3.9
175.14908	1.7
177.12740	5.5
181.12180	1.9
183.11662	3.0
187.11217	3.3
187.14804	3.6
189.11232	2.5
189.12827	2.0
191.14326	2.2
193.12251	2.8
194.84497	1.6
201.12738	2.2
205.12155	1.8
215.14334	2.1
219.13783	1.8
219.17372	2.5
221.10843	2.0
223.12296	2.9
229.19514	4.2
233.15155	1.5
233.19032	1.7
235.12321	2.3
239.18053	7.1
247.20645	11.2
249.13780	7.8
251.15479	3.5
257.18973	12.9
275.20081	93.6
293.11792	1.4
293.12900	1.8
293.16461	28.6
293.21072	40.4
309.11285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.37083	2.5
53.03933	11.6
55.01876	12.1
55.05515	70.4
57.03432	4.5
57.07064	3.8
65.03946	2.9
67.05505	48.7
69.03414	5.0
69.07072	21.9
70.67854	4.7
70.68208	7.1
71.04990	2.6
79.05495	58.1
81.03418	22.5
81.06596	3.7
81.07058	55.3
83.04967	8.0
83.08622	53.9
85.02898	3.3
85.06551	3.6
91.05486	34.2
93.07052	42.1
95.04971	84.0
95.08609	24.9
97.06513	7.8
97.10176	36.2
105.07039	34.5
107.04956	27.0
107.08601	48.3
109.06545	15.2
109.10144	17.1
111.08065	11.3
117.07008	14.6
119.08598	24.4
121.06507	6.5
121.10144	23.0
123.08059	9.8
123.11694	5.1
125.08890	3.3
125.09640	31.5
129.07018	5.7
131.08594	14.9
133.10135	18.1
135.08057	9.0
135.11697	12.7
137.09708	3.6
143.08499	4.1
145.06552	3.3
145.10123	23.8
147.11681	13.9
149.09627	76.4
153.09128	2.7
155.08611	3.9
157.10219	2.8
159.11685	10.8
161.13295	4.6
163.11195	32.1
165.12766	5.6
169.10158	2.9
171.10150	2.8
171.11662	3.0
173.09637	6.5
173.13264	4.8
175.11232	3.9
177.12823	3.2
187.11194	4.2
189.11259	16.0
189.12740	2.5
191.10779	4.1
197.81425	2.6
208.52832	2.5
209.11758	3.3
214.72789	2.4
223.13281	31.3
229.19455	4.9
237.11212	4.4
239.17853	5.1
247.20663	3.5
249.13873	10.4
257.19040	11.0
275.20084	90.2
293.16544	18.1
293.21112	100.0
293.28217	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	14.7
55.01875	13.9
55.05272	4.8
55.05514	59.0
65.03943	3.3
67.05507	51.0
67.96107	2.8
69.07072	19.6
69.20844	5.1
69.21241	22.5
79.05504	54.3
81.03429	22.1
81.07063	53.3
83.04984	6.4
83.08624	53.5
84.63740	2.9
85.06550	3.4
88.63573	3.0
91.05480	32.7
93.07047	44.6
95.04981	62.9
95.08614	24.1
97.06531	7.3
97.10161	24.1
99.38895	2.6
100.16003	2.8
105.07030	25.6
107.04951	24.0
107.08592	41.3
109.06520	10.9
109.10179	11.1
111.08084	13.4
117.07024	13.0
119.08596	21.0
121.06509	7.2
121.10149	25.8
123.08077	8.9
123.11733	3.4
125.09644	23.7
128.24541	2.9
129.07057	3.7
131.08575	15.4
133.10135	16.5
135.08080	5.5
135.11711	10.4
136.76895	2.6
137.09631	3.4
143.08539	3.7
145.06532	3.2
145.10132	25.0
147.08054	5.3
147.11703	12.8
149.09622	56.8
151.11166	5.6
155.08522	5.9
157.10027	5.5
159.11728	12.1
161.09685	3.8
161.13298	4.3
163.11206	35.2
165.12756	7.7
169.10159	5.3
170.43605	3.0
171.10123	3.4
173.09596	11.6
173.13339	6.5
175.11211	3.4
175.62096	3.0
177.12704	4.4
189.11290	13.9
197.13419	4.2
205.12286	3.4
209.11768	3.2
223.13312	15.9
229.19489	5.2
239.17928	8.7
249.13841	3.2
257.19064	11.7
275.20102	100.0
293.16580	8.0
293.21133	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	21.6
55.01883	25.1
55.05515	57.4
57.03429	4.8
57.07064	5.5
63.88374	4.5
66.67159	5.0
67.05508	65.4
69.07079	37.4
69.21760	39.8
79.05497	83.9
81.03419	39.5
81.07061	100.0
83.04969	20.8
83.08617	33.0
85.06538	8.1
91.05483	54.1
93.07059	50.9
95.04967	97.0
95.08607	41.0
96.98476	4.5
97.06532	30.9
97.10171	14.3
105.07040	62.4
107.04951	42.0
107.08609	42.0
109.06503	28.2
109.10147	12.2
111.08092	9.9
117.07008	15.2
119.08585	31.3
121.06480	11.7
121.10103	23.7
123.08047	9.6
123.11754	6.1
125.09640	12.6
131.08574	29.3
133.10139	44.0
135.08086	7.1
135.11687	14.7
136.72955	5.1
137.09647	8.3
145.10162	23.3
147.08011	8.0
147.11678	18.3
149.09634	53.8
149.13275	6.6
151.11154	7.2
153.09119	5.8
159.11642	14.3
161.09558	5.9
161.13200	8.8
163.11191	31.4
165.12849	6.1
171.11734	4.5
173.13347	8.6
177.12764	6.8
179.14255	12.1
189.11151	5.8
193.12253	7.2
200.65735	5.1
205.12274	5.8
223.13359	23.4
229.19498	7.6
235.12540	5.4
247.20625	6.2
249.13875	18.2
249.47069	4.4
257.19025	17.0
268.55148	5.1
270.85153	4.6
275.20068	89.4
293.16455	37.3
293.21185	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1652
Annotation	20-Oxoeburnamenine
Peak:m/z	Relative Intensity
53.03947	0.6
62.04815	0.4
67.05526	0.5
69.52474	3.0
73.18998	0.4
79.05068	0.6
79.05502	7.7
81.03415	1.1
81.07066	13.9
85.77403	0.4
91.05479	1.2
97.58692	0.4
103.05500	0.6
106.06528	0.6
107.04976	0.5
107.07347	0.4
108.08136	0.7
109.06531	51.7
112.95206	0.4
130.06528	1.5
131.04951	1.6
131.07272	0.4
143.08479	0.4
144.08109	7.0
151.57950	0.4
154.06575	0.5
155.07330	1.2
156.08017	0.9
157.08905	0.6
158.09703	0.4
168.08070	1.9
169.07642	0.5
170.09679	5.0
171.09163	0.6
180.08145	0.9
183.09201	0.7
184.10046	1.0
185.10818	2.5
194.09676	0.5
197.10756	0.8
205.08937	0.6
206.09750	0.7
207.09068	0.8
208.10002	1.1
217.08786	0.5
218.09766	0.5
220.11319	0.8
221.10735	9.3
222.11276	1.0
222.12930	1.3
223.12381	1.5
233.10921	0.5
234.11478	0.9
235.12297	3.3
236.13170	1.4
247.12364	2.3
248.13083	0.6
249.13914	16.5
250.14671	0.8
251.15466	24.1
257.93640	0.5
263.15497	0.8
265.13434	1.3
275.15588	1.2
293.16513	100.0
294.16840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1167
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03922	1.4
55.01863	4.0
60.04506	1.5
61.01149	13.3
67.51033	1.1
68.25471	1.1
69.40605	1.3
70.58191	2.8
71.05004	1.6
71.06119	1.2
72.04524	12.0
73.02909	2.1
74.99496	1.2
78.03792	27.5
81.03400	3.5
82.29570	1.2
83.04989	3.0
85.02910	24.9
86.06044	4.1
87.28472	1.2
94.61314	1.5
97.03644	1.1
99.03929	1.6
99.04464	14.3
102.03764	43.0
103.02169	4.0
103.03944	32.9
109.02883	6.8
110.75438	1.2
113.59359	1.3
114.03755	3.9
114.05506	3.0
115.02168	1.8
117.15238	1.3
118.03242	1.5
120.04813	10.2
126.05524	35.7
127.03913	12.7
131.04977	1.4
131.06392	19.3
131.07301	2.5
132.04771	15.7
141.06551	1.7
147.05907	2.8
149.07448	100.0
150.07771	1.2
152.07083	2.7
154.08633	5.4
156.06554	3.1
158.02731	2.0
161.24571	1.3
175.05376	5.2
180.06583	25.0
186.05650	1.5
198.07603	8.6
199.85352	1.3
216.08720	5.5
231.11612	8.2
233.09644	2.2
257.09607	5.4
275.10641	5.1
293.11673	84.0
296.73306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03950	2.1
55.01868	4.3
55.05515	2.4
56.96550	6.9
57.03434	3.5
57.07082	9.4
61.02911	5.9
67.05246	1.6
67.05508	18.7
69.03436	13.2
69.07058	1.8
71.04987	8.6
71.48141	2.6
73.02908	2.0
79.05505	2.4
81.03414	7.2
81.07063	2.4
83.08631	2.0
84.04453	1.9
85.02908	79.3
85.06536	7.6
86.06857	2.2
87.04470	1.8
89.03909	5.7
91.03956	2.8
95.04974	22.4
97.02908	16.4
98.97594	1.9
99.04434	4.9
103.05464	2.4
103.07571	3.2
107.04938	4.8
109.02854	9.5
109.39562	1.8
113.06007	46.2
117.03374	5.3
118.10195	1.6
124.99144	4.9
127.03917	14.6
131.04916	5.1
131.07045	100.0
135.04445	11.2
143.00140	6.3
145.02844	5.4
145.04959	15.4
161.01216	3.6
163.03912	41.8
163.06067	2.3
185.01360	2.5
231.01747	2.3
235.02008	1.8
249.02736	5.5
267.03873	3.0
293.14929	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.6
53.03949	1.8
55.01860	0.8
55.05505	1.5
55.98314	0.3
57.03425	0.9
59.18348	0.4
65.03976	0.5
67.05509	1.9
69.03433	5.9
69.07075	1.1
70.99660	0.5
70.99997	0.5
71.04979	0.9
73.02913	0.4
77.03919	0.9
79.05496	5.1
81.03423	12.1
81.07053	7.5
83.04986	0.6
83.08624	0.7
85.02917	4.4
91.05476	1.9
93.07061	2.4
95.04966	1.8
95.08626	2.2
97.02908	2.3
97.06544	3.0
99.04476	1.8
99.08093	0.5
101.06028	0.8
103.05473	35.6
105.07042	1.7
107.04958	0.9
107.08614	2.4
108.08141	0.4
109.02872	5.2
109.06524	18.7
109.07278	0.9
109.10183	0.7
111.08109	0.6
117.07018	0.8
119.08595	2.0
121.06552	0.6
121.10188	1.9
123.04462	0.9
123.08082	0.6
123.11694	0.5
127.03905	1.4
130.06551	0.8
131.04933	100.0
131.08582	1.1
132.05313	1.0
133.10101	0.6
135.08006	0.9
137.05995	0.6
137.09615	0.5
143.08597	0.8
144.08127	2.8
145.10124	0.7
147.11690	0.6
149.02376	0.5
149.05957	3.1
149.09647	0.9
156.08047	0.5
159.08043	0.5
159.11786	0.6
161.06117	0.4
161.13274	0.5
163.11247	0.5
168.08086	0.7
170.09715	2.1
173.13268	0.4
175.11316	0.4
179.10622	0.4
180.08104	0.6
181.07710	0.5
182.08427	0.6
184.09967	0.5
185.10869	0.8
187.14967	0.5
197.10837	0.6
219.13976	0.4
221.10690	3.8
223.12350	0.8
233.10869	0.6
234.11581	1.4
235.12282	3.6
236.13165	0.6
238.88214	0.4
246.54834	0.4
247.12338	3.0
248.13165	0.4
249.13869	15.2
250.14626	0.6
251.15442	7.8
257.18967	0.7
263.15512	0.7
265.13470	1.1
275.09122	7.2
275.20111	3.8
293.16492	55.9
293.21054	3.1
294.17059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66936	3.7
69.48470	28.0
70.19160	3.3
77.16858	4.0
101.00919	7.4
119.01884	5.0
143.01921	22.0
155.01923	8.8
161.02957	23.4
173.02969	10.4
183.58009	4.2
203.04073	7.8
216.00995	4.0
221.48175	4.7
263.06079	6.2
293.06311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03960	1.6
55.01866	1.1
55.05514	1.5
55.23666	0.3
56.96553	0.4
57.03436	1.0
67.05499	1.9
68.05099	0.3
69.03434	4.8
69.07067	1.9
70.80743	0.4
70.81074	0.6
71.05002	0.7
73.02936	0.4
77.03914	0.6
79.05495	2.4
81.03426	10.7
81.07062	5.1
83.08614	0.7
85.02914	3.9
85.06539	0.5
88.95907	0.3
91.05488	1.4
93.07053	2.1
95.04964	1.5
95.08621	2.8
97.02903	2.3
97.06556	0.6
97.10181	0.5
98.97618	0.6
99.04443	1.0
103.05473	37.9
105.07024	1.2
107.04967	0.8
107.08617	1.7
109.02887	3.4
109.06529	4.9
109.10168	1.4
117.07021	0.6
119.08585	1.1
121.06506	0.4
121.10155	1.1
123.11709	0.5
127.03940	1.4
131.04935	100.0
131.08563	1.1
132.05273	0.8
133.10141	0.5
135.08078	0.7
135.11699	0.5
143.08601	0.4
144.08098	1.4
145.10130	0.6
147.11711	0.5
149.05983	2.6
149.09644	0.6
159.11697	0.6
163.11411	0.4
170.09665	0.4
182.08408	0.4
191.18007	0.4
201.12784	0.4
207.09157	0.4
219.13799	0.6
221.10852	0.8
234.11488	0.4
235.12309	1.2
247.12323	1.0
248.99315	0.3
249.13911	4.6
250.14525	0.3
251.15424	2.4
259.57254	0.3
275.09131	5.4
275.20178	1.6
293.16492	17.9
293.21008	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	293.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73621	0.5
51.02629	0.6
53.03947	1.0
55.05486	0.6
56.96305	1.1
56.96566	12.6
57.03410	1.1
65.03929	0.7
67.05510	3.4
69.03419	1.6
69.76236	3.1
70.06604	0.9
71.04974	0.9
72.08163	1.3
79.05489	2.9
81.03412	1.2
81.07037	1.1
83.04970	1.4
83.16695	0.5
83.68075	0.5
84.04499	0.6
84.08160	0.6
84.96016	1.8
85.02890	2.7
85.06495	0.6
89.03919	14.8
90.04239	0.6
91.05485	1.3
95.04971	3.1
97.02897	1.1
98.21457	0.7
98.97568	3.8
99.04421	0.7
101.00887	1.2
102.01539	1.2
103.05461	0.9
107.04958	7.8
107.98440	0.6
109.02879	0.6
110.97585	1.8
111.02052	1.0
111.04455	1.1
112.99155	1.0
113.05984	2.1
114.10292	4.3
116.98626	1.8
117.03384	13.9
118.03672	0.7
119.01900	1.5
119.04952	0.9
120.08088	1.0
121.06488	0.7
121.28023	0.6
124.99129	10.8
127.00708	0.7
128.98622	1.8
130.05011	0.9
131.00166	0.9
131.04915	1.8
131.07014	3.5
132.08127	0.7
134.99669	0.7
135.04414	21.8
136.04750	1.5
140.98566	0.7
141.02205	0.7
143.00157	15.0
143.01871	1.1
144.98145	0.7
145.02798	12.4
146.03271	0.7
147.04410	2.4
151.04030	0.7
152.98540	1.3
158.99571	0.8
159.03299	0.9
161.01236	8.5
161.02946	1.9
161.07088	7.2
163.03900	100.0
164.04242	5.9
167.00136	0.9
169.01817	1.4
170.99641	3.3
171.03166	0.6
173.02953	0.6
176.10576	0.6
177.00803	0.8
179.02354	0.7
181.05038	0.8
185.01231	3.1
185.02699	0.8
186.99014	0.9
187.02809	1.2
189.00679	4.7
197.02835	0.8
201.00645	1.3
201.05684	0.7
201.10086	0.7
203.02153	2.7
205.03720	0.8
211.02762	0.7
213.00665	1.5
219.01691	0.7
231.01762	4.2
233.03185	0.7
237.00739	0.8
237.02866	1.4
245.09189	1.3
247.10768	0.6
249.02800	9.4
251.04265	2.1
257.09247	1.9
267.03879	7.4
273.02631	0.8
275.10251	1.2
285.04904	1.7
293.05331	2.0
293.11151	1.8
293.14941	3.7
299.04279	1.0
311.06506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.1
53.03930	7.4
55.01874	13.7
55.05272	3.1
55.05518	37.1
57.03431	7.6
57.68785	2.3
65.03930	2.8
65.27847	2.1
67.05507	54.9
69.03421	3.7
69.07066	19.3
70.04974	7.6
71.05000	5.6
77.03886	3.2
77.78190	2.0
79.05499	100.0
81.03392	5.4
81.06600	5.1
81.07060	84.1
83.04962	3.9
83.08631	14.0
85.02882	2.5
85.06538	4.5
86.22717	2.0
91.05489	51.0
93.07050	89.8
94.02064	2.2
95.04990	20.4
95.08602	33.2
97.06522	4.2
97.10173	13.6
98.49094	2.3
105.03403	2.7
105.04504	3.2
105.07039	35.2
107.04967	15.9
107.08604	63.3
109.06526	24.9
109.10162	17.4
109.89759	2.6
111.08072	2.8
115.05450	4.0
116.06185	2.2
117.07024	31.1
119.04984	2.6
119.08588	48.6
121.06522	23.1
121.10150	43.4
123.08086	7.3
123.11765	3.2
125.09634	11.0
128.06206	2.2
129.07014	10.2
131.08574	19.4
133.06500	7.0
133.10165	16.9
135.08070	33.4
135.11700	42.0
137.09578	5.5
143.08577	11.9
145.10103	20.8
147.08055	28.0
147.11734	11.2
149.09633	8.2
149.13266	30.2
157.10110	9.7
159.08087	3.5
159.11714	10.1
161.09624	10.1
161.13271	8.1
163.11171	10.5
163.14790	8.2
169.10120	2.5
171.10406	2.5
171.11723	10.1
173.09717	2.5
173.13229	3.8
175.11179	3.1
175.14751	3.2
177.12775	2.5
179.08469	2.8
185.13248	5.2
187.61816	2.3
189.11240	5.5
189.12761	3.5
195.11613	2.8
213.12766	2.8
213.16489	2.9
217.15915	6.5
223.13243	4.0
227.18362	2.3
235.16977	3.0
237.16237	3.2
241.19533	6.2
245.19112	4.9
249.14867	11.1
249.18680	2.3
255.17401	4.5
255.67719	2.3
259.20496	6.1
273.18515	41.3
291.19556	93.8
291.23157	46.4
291.26248	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.45398	0.7
50.62907	0.7
53.03947	4.9
55.01871	3.2
55.05517	20.1
57.07065	1.7
59.05013	0.7
60.28025	0.7
65.03937	2.0
67.05511	41.6
69.03429	1.9
69.07076	18.0
70.08419	1.6
70.08820	1.8
71.05011	1.2
73.06546	1.7
77.03951	1.4
79.05498	72.9
81.03416	1.3
81.07061	54.8
83.04990	2.8
83.08628	9.8
85.06546	3.5
90.75093	0.9
91.05487	31.0
93.07050	100.0
94.07366	0.9
95.04977	6.5
95.08614	34.0
97.06535	2.9
97.10182	5.2
98.21410	1.4
99.08125	0.7
105.04515	1.8
105.07036	19.7
107.04970	2.4
107.08603	59.4
108.58892	0.8
109.06513	3.5
109.10168	14.7
111.08071	1.6
115.07596	0.9
117.07031	5.6
119.04940	0.8
119.06046	0.8
119.07726	0.9
119.08587	19.2
121.06505	2.8
121.10152	47.3
123.08115	1.7
123.11706	4.3
125.09645	2.8
128.06206	1.2
129.07008	3.9
130.07729	0.8
131.08583	7.6
133.06509	1.7
133.10136	12.9
134.77068	0.8
135.08035	3.4
135.11700	51.8
137.09612	1.9
137.13239	0.9
139.11134	0.8
143.08560	2.8
145.10124	7.0
147.08072	3.0
147.11711	10.3
149.09637	5.2
149.13269	29.3
151.11153	1.3
157.10173	3.3
159.08148	0.8
159.11716	6.5
161.09631	2.9
161.13281	8.3
163.11183	3.1
163.14809	10.4
165.12682	1.0
171.11713	4.5
173.13277	3.6
173.78877	0.8
174.12787	0.8
175.11192	1.8
175.14809	5.1
177.12776	3.1
177.16336	1.9
185.13300	4.3
189.11269	1.2
189.12791	2.0
189.16386	1.3
195.13797	1.2
199.14859	2.4
203.14311	1.9
207.13782	1.0
209.15370	1.4
213.16382	2.3
217.15999	1.1
217.19528	2.3
221.15254	1.3
231.17578	1.4
231.51024	0.7
235.16925	3.1
241.19514	5.6
249.18474	2.3
255.17462	1.2
259.20581	9.1
273.18564	4.5
291.19604	18.4
291.23203	58.5
292.23636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	5.9
55.01878	14.0
55.05515	25.0
57.03419	2.3
57.07071	1.7
58.70643	1.8
64.90169	1.9
67.05506	28.5
69.03426	4.6
69.07079	9.2
69.33983	14.9
71.04977	3.2
79.05496	55.3
81.03455	4.2
81.07059	48.7
81.85696	1.9
83.04968	3.6
83.08625	11.6
85.50424	1.7
91.05485	37.2
93.07050	30.6
95.04968	18.8
95.08608	21.6
97.06507	2.3
97.10161	12.9
105.03399	5.1
105.04539	2.1
105.07044	20.8
107.04979	14.9
107.08587	15.9
109.06525	7.2
109.10140	5.9
115.05444	2.6
117.07027	25.1
119.04970	5.0
119.08589	54.9
121.06511	25.3
121.10143	5.6
123.08091	5.5
125.09617	12.6
128.06218	2.4
129.07022	9.2
131.08549	15.7
133.06511	8.0
133.10150	6.5
135.08084	12.1
135.11714	3.5
143.08582	11.0
145.10135	22.5
147.08049	27.8
147.11702	4.7
149.09621	8.7
151.98224	2.0
156.16908	2.1
157.10112	8.1
159.08049	3.6
159.11671	6.4
161.09599	12.2
163.11157	4.1
169.10170	2.2
171.11690	4.4
177.09093	2.5
182.08456	2.0
185.13300	5.7
189.11215	6.8
189.12741	2.4
203.14232	2.2
213.12721	2.5
223.13255	3.5
227.17941	3.1
231.13785	2.6
245.19052	2.7
249.14891	15.6
255.17398	8.1
261.13675	2.4
273.18503	44.7
291.14838	3.1
291.19571	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.84407	1.7
53.03950	8.1
55.01874	15.0
55.05279	2.0
55.05515	30.9
57.03425	4.1
57.07055	3.1
59.04989	1.9
65.03928	3.1
67.05182	2.4
67.05505	34.0
68.63335	1.7
69.03416	7.3
69.07069	11.3
69.86030	7.5
71.04966	3.0
79.05499	62.3
81.03407	6.2
81.06605	3.8
81.07059	67.6
83.04969	2.8
83.08617	12.7
85.06557	3.1
91.05490	44.7
93.07050	34.4
95.04970	21.3
95.08622	17.6
97.06550	3.0
97.10162	11.7
97.32848	1.6
98.12700	1.7
103.05473	3.1
105.03371	4.7
105.04492	2.1
105.07028	27.6
107.04984	17.4
107.08591	21.8
107.46416	1.6
109.06524	14.2
109.10163	9.1
109.10772	1.5
111.04462	2.1
111.08083	3.3
115.05426	5.1
117.07037	27.1
119.04945	4.4
119.08591	56.8
121.06501	28.5
121.10168	11.8
122.07005	2.0
123.08070	7.3
123.11678	1.7
125.09622	12.2
126.06280	1.5
127.14112	1.6
128.06207	2.5
129.07001	15.2
131.08582	20.9
133.05637	1.8
133.06493	11.6
133.10118	11.1
135.08063	18.5
135.11673	4.2
137.09599	3.6
142.07759	2.1
143.08571	11.0
145.06454	3.1
145.09088	2.6
145.10129	25.7
147.06963	2.6
147.08058	32.9
147.11647	2.4
149.09631	10.8
151.07544	3.1
153.09103	3.0
157.10098	10.2
159.08009	5.9
159.11722	8.2
161.09627	13.6
163.11186	5.5
165.09114	2.0
171.08131	2.1
171.11699	6.2
175.11179	3.1
176.70351	1.7
177.12709	2.0
183.11661	2.7
185.09746	1.8
185.13315	2.2
189.11180	6.9
195.11644	2.3
199.11147	1.8
213.12701	2.2
223.13373	4.0
227.17972	2.7
231.13770	2.6
237.16446	3.6
245.18974	6.3
249.14874	16.6
255.17459	5.0
273.18484	42.5
291.14813	4.1
291.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03953	6.7
55.01878	10.9
55.02084	1.9
55.05511	24.2
55.73634	2.0
57.03435	3.5
60.35321	1.9
65.03943	2.4
67.05508	25.4
69.03426	5.9
69.07081	11.0
69.14729	20.9
71.04990	2.7
79.05498	54.6
81.03416	5.7
81.06599	4.0
81.07062	64.5
83.04978	4.5
83.08626	15.5
85.06586	2.0
91.05485	38.8
93.07043	26.7
95.04973	21.8
95.08612	19.4
97.06549	2.8
97.10177	15.6
105.03377	4.6
105.04497	2.5
105.07047	23.9
107.04958	13.6
107.08591	17.1
109.06552	11.1
109.10155	7.1
111.08071	3.0
115.05479	5.0
117.07032	28.2
119.04968	5.2
119.08588	54.1
121.06505	20.5
121.10146	9.3
123.08070	7.4
125.09655	9.5
128.06238	3.8
129.07024	11.3
130.07843	2.7
131.08594	15.3
133.06499	10.9
133.10130	8.6
135.08078	12.6
135.11676	2.5
137.09615	4.4
142.07733	2.7
143.08569	9.4
145.06432	2.3
145.10138	23.4
147.08054	29.2
147.11702	2.1
149.09622	9.7
151.07523	2.8
151.11206	3.1
153.09100	4.3
157.10136	8.6
159.08044	3.5
159.11685	9.9
161.09634	13.3
163.11191	7.2
167.08508	2.6
170.10995	2.6
171.11797	5.6
173.09511	2.5
175.11252	2.7
185.13264	4.9
189.11208	7.7
189.12747	2.5
223.13292	4.5
227.17877	2.7
231.13721	3.7
245.18988	3.5
247.12283	4.1
249.14923	16.4
255.17377	4.9
261.13947	3.0
267.93622	2.6
273.18509	42.5
291.12021	2.7
291.14926	13.6
291.19553	100.0
292.19864	2.6
296.92490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	4.7
55.01864	13.2
55.05514	31.5
65.03927	2.3
67.05505	31.0
69.03452	4.7
69.07069	12.7
71.04970	4.5
71.09349	4.4
79.05496	61.6
81.03428	3.0
81.07059	79.2
83.04982	5.7
83.08620	11.0
91.05489	36.5
93.07053	30.5
95.04967	21.7
95.08615	18.4
97.10170	16.0
103.05437	2.8
105.03384	4.6
105.04535	2.0
105.07033	28.4
107.04974	12.4
107.08593	19.8
109.06525	14.4
109.10167	5.3
109.40842	2.4
109.56411	2.0
115.05442	2.8
117.07022	32.1
119.04977	4.2
119.08588	47.7
121.06522	17.7
121.10135	7.9
123.08063	7.3
125.09619	14.8
128.06177	2.4
129.07024	9.2
131.08592	17.8
132.05670	2.3
133.06514	9.0
133.10118	5.8
135.08044	13.0
135.11682	2.2
143.08554	8.1
145.06520	3.7
145.10150	21.1
147.08054	31.0
147.11775	3.1
149.09625	7.2
157.10107	9.0
159.08057	2.8
159.11711	4.7
161.09616	9.0
163.11201	7.0
169.10071	2.5
171.11671	4.9
177.12645	2.3
185.09662	2.6
185.13298	3.4
189.11221	8.2
203.14217	2.5
213.12836	3.3
223.13213	4.3
245.18880	2.9
249.14886	14.3
255.17451	6.8
273.18488	43.0
291.14890	3.8
291.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	5.6
55.01880	11.1
55.05276	1.6
55.05516	27.5
55.51059	1.5
57.03442	2.3
57.07068	1.7
65.03944	1.5
65.24545	1.3
65.68611	1.7
67.05508	29.4
69.03419	4.9
69.07061	10.0
70.61669	4.4
71.04996	2.7
79.05499	56.6
81.03411	3.7
81.07059	64.5
83.04988	3.8
83.08613	11.9
85.02881	1.5
85.06567	2.0
91.05478	33.2
93.07043	30.4
95.04977	16.8
95.08590	14.8
97.06509	3.3
97.10176	14.4
103.05455	3.5
105.03362	4.5
105.04517	3.1
105.07036	20.8
107.04948	10.9
107.08612	17.3
107.73845	1.5
109.06525	8.8
109.10159	5.9
111.08109	3.3
115.05439	3.8
116.06242	2.2
117.07020	26.6
119.04957	4.7
119.08585	55.8
121.06512	23.0
121.10162	12.3
123.08041	4.1
125.09626	12.9
128.06213	3.2
129.07004	12.0
130.80122	1.5
131.04926	1.9
131.08566	18.1
133.06500	8.7
133.10136	6.4
135.04460	2.5
135.08070	10.5
135.11702	1.9
137.09653	3.3
143.08537	10.4
145.06473	2.7
145.10136	24.0
146.82881	1.7
147.08061	32.3
147.09216	2.2
147.11716	3.0
149.09618	8.1
153.09120	3.3
155.08495	2.4
157.06526	1.5
157.10170	7.7
159.08014	4.2
159.11700	6.9
161.09641	11.3
163.11215	8.2
165.09132	2.7
169.10112	1.7
171.10202	2.4
171.11668	5.9
175.11162	4.3
177.12656	1.9
185.13260	4.7
187.11116	1.8
189.11266	4.9
195.11629	1.8
213.12839	1.6
223.13281	6.0
227.17867	3.4
231.14006	2.2
237.16362	2.5
245.18985	4.3
249.14824	15.7
255.17490	9.3
273.18500	43.7
291.19540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03946	1.8
55.05505	6.1
57.07080	1.9
59.04995	2.4
67.05492	6.0
69.03422	2.5
69.07065	4.0
70.06625	1.4
71.05025	2.3
79.05492	6.5
79.41249	1.2
81.07057	10.6
81.19334	1.4
83.04974	1.8
83.08611	5.5
85.06528	2.9
88.77236	1.4
91.05477	6.2
93.07053	11.7
95.04980	4.2
95.08624	12.9
97.06512	2.3
105.07038	11.0
107.04956	5.4
107.08607	8.0
109.06532	9.3
109.10167	3.0
111.08097	25.8
117.07031	3.0
119.08602	9.5
121.06484	3.7
121.10160	7.2
122.07279	2.0
123.08077	35.8
129.06976	2.6
131.08560	7.1
133.06480	3.5
133.10172	7.6
135.08067	8.5
135.11679	2.6
136.25502	1.3
137.09619	3.2
143.08612	2.0
145.10132	16.8
147.08051	3.4
147.11688	5.4
149.09615	6.4
151.07558	100.0
156.09294	2.0
157.10178	3.2
159.08041	3.1
159.11703	2.9
161.09666	3.1
163.11220	2.5
165.09132	1.9
171.11697	4.5
173.09590	2.3
173.13258	4.3
175.11160	3.9
177.09131	3.4
177.12849	1.7
179.10707	4.3
187.11177	3.4
189.12756	24.9
191.14272	4.1
192.11406	2.4
197.11745	14.5
197.13289	2.8
205.12273	1.6
207.13821	61.7
207.15785	3.1
213.16402	1.9
215.14343	5.4
217.12280	2.9
233.15417	12.2
235.13336	1.8
243.21976	1.5
249.18436	1.8
255.17532	3.6
273.18442	10.3
291.19559	47.6
291.27161	5.0
312.47675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	3.5
55.01880	13.2
55.05518	25.5
57.03421	5.4
59.78368	2.1
63.35443	1.7
65.08432	2.1
67.05518	27.2
68.25210	1.8
69.03438	3.0
69.07082	15.6
69.61138	2.0
70.06557	2.1
71.05006	4.6
79.05075	3.3
79.05502	42.3
81.03414	7.3
81.07063	65.8
83.04986	6.3
83.08625	10.8
91.05488	28.7
93.07047	26.9
95.04976	22.7
95.08600	16.0
97.06525	3.9
97.10184	11.3
99.08115	1.9
105.07037	22.0
107.04964	10.4
107.08601	15.2
109.06528	11.6
109.10183	9.5
111.04421	2.4
111.08128	2.7
115.05468	2.9
117.07020	15.8
119.04945	2.1
119.08600	32.6
121.06509	17.2
121.10155	11.9
122.73613	2.1
123.08085	19.0
125.09633	10.0
128.06306	2.2
129.07005	9.0
131.08586	12.1
133.06502	5.6
133.10155	8.5
133.59471	1.8
135.08087	9.8
135.11696	4.4
137.09636	5.5
143.08583	7.8
145.10104	16.9
147.08057	17.7
147.11707	4.6
149.09608	8.9
153.09073	5.4
157.10127	6.3
159.08066	2.5
159.11737	7.1
161.09624	9.5
163.11241	18.1
165.09137	6.9
169.10136	2.5
171.11673	3.3
173.09642	2.6
175.11232	4.9
177.09065	3.1
185.13235	3.2
189.11250	3.9
193.12267	4.1
199.11140	2.1
205.12358	1.8
223.13321	5.6
227.17963	3.7
229.23460	3.9
249.14856	8.6
255.17552	5.5
273.18527	35.1
275.53494	2.1
291.19571	100.0
291.27246	9.9
293.48126	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
53.03943	2.2
54.39269	0.9
55.01871	5.6
55.05507	4.5
56.96563	0.9
57.03437	5.7
59.05013	1.3
60.16140	0.7
61.02925	2.9
67.05514	4.9
69.03405	1.4
69.07072	33.6
70.68578	1.1
70.68932	2.2
71.04995	1.6
79.05495	17.1
81.03399	2.0
81.07044	5.0
85.06561	2.4
87.08095	1.8
89.03919	8.2
91.05482	2.5
93.07026	2.5
95.04961	1.1
95.08614	2.2
97.06535	91.3
98.97598	1.6
103.05499	1.0
105.03446	0.8
105.07040	1.9
107.04964	2.0
107.08555	1.2
111.08088	2.4
115.05466	0.9
117.03375	7.8
119.08570	1.3
129.07042	1.2
129.09079	2.1
131.04909	1.6
131.08588	1.4
133.02898	5.8
135.04425	10.0
143.04910	0.9
145.02876	9.0
145.10165	1.0
147.04408	2.3
149.09633	1.0
157.06458	1.8
159.04428	8.3
159.08052	1.1
161.02350	33.4
163.03914	53.7
173.02350	73.0
185.05971	3.8
186.03207	1.3
187.03931	1.3
187.07591	2.8
191.03378	1.1
192.95555	1.1
197.05949	1.0
201.09076	1.1
202.07800	1.9
203.08531	1.4
213.09180	1.1
215.07031	100.0
216.07375	1.0
218.42365	0.8
219.08157	1.8
220.62253	0.9
223.07510	1.0
231.08134	2.4
233.08089	1.6
241.08615	8.3
248.08333	2.2
259.07480	1.1
259.09790	8.3
260.08386	2.0
261.13904	1.4
262.63727	0.9
273.11316	1.7
273.18567	1.1
276.07977	0.9
291.10004	4.0
291.12317	5.6
291.15131	2.7
291.19614	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	2.4
55.05515	14.7
55.71939	1.5
56.29806	1.6
57.07067	4.1
59.04987	2.1
62.10371	1.8
67.05511	10.3
69.03418	4.6
69.07075	3.9
69.11987	16.9
69.12391	2.0
71.04981	4.2
79.05505	19.9
81.07068	19.5
83.04979	2.5
83.08615	9.5
85.06557	2.0
91.05482	12.2
93.07059	21.4
95.04958	9.8
95.08607	17.6
97.06527	5.8
98.92982	1.6
105.07050	14.9
107.04958	16.0
107.08607	12.9
109.06537	10.9
109.10168	5.2
111.07470	1.5
111.08089	38.1
117.07018	5.1
119.08575	15.4
121.06531	7.9
121.10097	7.8
123.04462	1.5
123.07221	3.1
123.08082	43.3
125.09628	4.3
129.07025	2.6
131.08563	10.4
133.06497	4.7
133.10141	9.3
135.08052	10.9
135.11745	3.7
137.09613	2.9
143.08540	2.7
145.10106	6.5
147.08043	6.3
147.11714	6.8
149.09637	9.7
151.07556	100.0
155.10718	2.3
157.10114	6.7
159.08067	3.2
159.11711	2.3
161.02588	1.8
161.09601	5.6
163.11163	5.9
171.11687	5.1
173.13290	5.7
175.11192	4.1
177.09137	3.2
179.10715	4.3
189.12753	25.5
191.14320	7.6
192.11464	5.4
197.11729	10.5
197.13350	2.8
207.13829	66.4
207.15790	3.7
208.22072	2.0
215.14371	2.9
231.17471	2.2
233.15395	28.7
253.21214	1.7
255.17555	2.0
273.18542	14.2
291.19565	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74110	2.8
56.96566	100.0
60.44686	3.0
61.71986	2.8
71.44125	4.2
71.44466	3.4
71.95242	3.4
72.04482	2.9
77.68047	2.6
81.03398	4.9
84.96046	7.4
85.02904	3.7
89.03910	6.5
95.06078	4.7
97.02873	6.3
98.97585	86.4
101.00887	8.0
103.00608	6.0
103.43196	2.9
107.04949	14.7
107.41346	2.6
108.05316	3.8
110.63209	2.9
110.97568	2.8
112.99149	4.5
115.02425	3.4
116.98613	21.9
117.03356	7.1
119.01913	11.0
124.99118	63.6
127.00703	7.3
131.01918	5.8
133.03488	5.8
134.99663	7.3
135.03285	3.6
135.04387	10.6
137.05946	5.4
141.02238	6.5
143.00175	80.3
143.01900	13.1
145.01711	3.2
145.02745	5.1
148.99121	3.4
151.00615	4.1
151.91969	3.3
152.98557	17.8
155.01979	4.3
157.03461	5.0
158.99620	5.5
159.03259	3.8
161.01208	23.7
161.02957	7.8
162.87691	3.2
163.03908	43.0
164.04228	2.9
167.00124	6.1
169.01735	6.7
170.99677	53.2
173.01314	4.6
173.02945	9.5
176.98691	3.6
177.00746	3.7
185.01247	31.1
185.02783	4.8
186.99236	5.2
187.02789	8.5
189.00748	33.7
194.99663	7.8
201.02437	5.5
203.02284	21.1
203.03973	4.3
205.00221	7.1
207.01773	3.8
213.00694	27.9
219.03571	6.2
221.03067	5.4
231.01735	29.8
237.02451	3.7
239.06117	3.8
245.03210	3.8
247.01250	4.1
249.02844	37.5
263.04288	4.8
267.03867	23.4
273.02567	14.2
285.04913	12.0
291.03714	52.2
291.08380	28.4
309.04919	42.6
309.08179	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	87.5
64.22959	15.8
66.97124	13.5
71.34142	25.2
98.97585	66.5
101.00887	58.9
103.00591	23.5
115.00653	24.5
116.98618	16.8
119.01947	35.7
121.01637	28.0
124.99136	55.2
131.01927	21.5
133.03526	39.1
143.00217	72.7
143.01904	26.2
145.01619	21.2
145.03470	16.0
145.40149	16.9
147.05016	26.3
152.98538	17.3
155.01909	33.9
161.01231	18.9
161.02876	23.1
163.02687	16.4
170.99657	55.4
173.02966	42.8
185.01317	34.7
189.00752	37.9
189.06050	26.0
201.06140	29.4
203.02213	15.6
203.03899	17.2
213.00722	27.4
219.03587	21.8
231.01772	32.9
249.02840	50.4
291.03668	69.3
291.08426	100.0
291.10709	76.3
309.04929	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32242	2.3
53.51831	2.2
56.96569	100.0
69.87808	4.2
69.88207	7.3
77.61312	2.4
81.03415	3.2
84.96033	6.9
91.02419	2.1
98.97591	77.1
101.00894	24.0
105.00169	2.5
112.99175	7.1
113.00858	5.1
115.02473	19.0
116.98631	27.7
119.01925	28.2
120.26505	2.4
124.99132	64.9
127.00711	6.1
127.02435	2.8
131.00302	2.8
131.01921	9.8
133.03485	31.0
134.99564	4.1
137.02969	4.8
139.00635	5.0
139.02502	2.5
140.98639	2.7
141.02229	7.2
142.01106	4.0
143.00177	75.4
143.01872	11.8
145.03476	8.8
147.05052	4.6
151.00723	4.4
151.04567	5.2
152.98596	19.4
157.03482	7.5
159.03265	6.1
160.02155	5.0
161.01274	23.2
161.02921	17.8
167.00188	8.0
169.01726	9.6
169.03419	3.2
170.99681	51.5
173.02963	17.2
175.04549	4.6
185.01245	36.6
185.02873	3.2
186.99162	4.2
187.02786	6.5
189.00752	25.0
191.04050	11.1
194.99702	7.8
200.54570	4.5
201.00743	5.2
201.02446	30.4
203.02292	18.5
205.00278	6.0
213.00720	28.5
218.54576	5.1
219.03514	57.6
219.05540	3.9
219.14487	2.8
221.03226	3.5
221.05186	4.6
231.01767	37.9
231.03754	3.1
239.06023	3.4
245.03250	5.7
249.02757	51.4
267.03848	24.8
273.02875	12.5
285.04810	12.1
291.03494	44.1
309.04916	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60413	2.2
54.46178	2.2
56.20107	2.0
56.96570	100.0
60.93166	2.0
61.02941	2.2
69.03433	2.2
70.17363	8.2
70.17712	2.6
70.51188	1.8
71.95255	2.6
74.09845	1.9
81.07744	1.9
82.99849	4.9
84.96027	6.7
88.51359	2.0
91.53054	2.0
92.05229	1.8
98.97594	77.5
99.35125	1.7
101.00877	32.6
101.67344	2.1
111.04426	2.4
112.99196	5.2
113.00838	7.8
115.02449	24.8
116.98630	28.1
119.01933	37.0
124.99129	63.1
127.00696	5.1
127.02421	5.3
131.01901	9.8
133.02573	3.7
133.03493	42.6
134.99641	5.3
137.02983	3.3
139.00659	4.6
141.02238	9.1
142.01118	5.8
143.00180	68.8
143.01910	7.2
145.03490	8.8
147.04961	2.5
151.00642	4.3
151.04530	5.7
152.98601	20.1
155.01944	2.4
157.03462	5.8
158.06123	2.0
159.01453	2.6
159.03296	5.5
159.37955	2.6
160.02217	3.7
161.01266	23.5
161.02907	14.0
165.53345	2.1
167.00159	6.9
167.53093	2.3
169.01773	10.9
169.03140	1.9
170.99661	56.4
173.02971	18.1
175.04594	5.1
177.02443	2.4
185.01280	35.3
185.02849	3.5
186.99182	8.7
187.02809	6.7
187.04465	2.7
189.00731	33.3
191.04037	13.9
194.99722	7.5
201.00610	4.1
201.02463	42.7
201.04205	2.5
203.02328	21.3
203.04024	4.2
205.00209	6.6
207.64673	2.4
209.05217	4.3
213.00735	25.5
215.04053	2.2
218.54630	2.5
219.03528	71.7
221.05153	4.0
230.99443	2.7
231.01752	41.9
237.04626	4.3
239.06136	3.5
245.03192	3.2
247.01364	3.3
249.02724	47.9
261.04626	2.1
262.41852	2.2
267.03845	24.4
273.02576	12.3
285.04987	11.8
291.03635	57.0
297.97256	2.1
309.04913	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03938	6.7
55.05510	36.2
57.03425	3.3
57.07059	4.4
59.04715	3.7
59.05006	67.6
67.05511	15.2
69.07076	13.8
69.54153	13.6
79.05492	12.8
81.03425	2.7
81.07063	18.1
83.04973	4.4
83.08604	5.1
85.06547	98.3
91.05479	16.7
93.07053	29.5
95.04957	7.8
95.08609	31.8
99.08095	20.4
100.37894	2.2
105.07028	23.1
107.04958	4.8
107.08600	15.3
109.06494	5.0
109.10147	7.6
111.08089	9.4
115.05431	3.0
117.07021	11.5
119.08590	25.0
121.06510	2.3
121.10169	9.8
123.04478	2.0
123.08044	2.8
123.11797	2.1
125.09634	23.8
128.06200	3.4
129.06998	8.2
131.08582	29.1
133.10129	24.5
135.08035	5.4
135.11707	2.9
141.06972	4.2
142.07784	13.8
143.08574	18.4
144.09366	4.5
145.06451	2.5
145.10124	19.9
147.11708	10.6
149.09604	6.1
151.11169	3.2
153.06972	4.8
154.12218	2.0
155.08548	12.1
156.09328	6.3
157.10141	33.6
157.11368	3.7
158.10896	11.8
159.08070	7.1
159.11678	22.5
161.09607	6.0
163.11191	3.3
167.08575	4.4
168.09372	10.0
169.10115	14.5
170.10944	3.0
171.11685	14.2
173.09641	2.7
173.13272	39.8
174.10368	2.3
175.11220	2.6
177.12738	5.0
181.10138	5.3
182.10864	3.0
183.11699	36.7
184.12442	4.5
185.13301	2.5
187.11189	2.2
187.14835	2.4
189.12804	5.3
191.14273	5.2
195.11743	5.4
197.13258	15.7
198.14038	4.6
199.11185	2.5
199.14781	11.1
201.12744	13.0
205.15916	2.2
209.13220	3.7
210.14023	3.4
211.14861	5.3
213.16336	5.6
215.14294	9.3
215.17857	2.1
217.15907	6.0
224.15727	6.0
229.15894	2.4
231.17551	3.4
233.15392	3.7
239.18018	19.5
257.18951	12.4
259.16928	7.0
271.17172	2.3
271.20566	13.6
274.19241	3.0
289.13275	2.9
289.18024	31.0
289.21609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03937	4.8
55.01861	7.8
55.05515	23.8
57.03444	23.0
59.04995	8.0
65.03941	3.7
67.05507	29.5
69.03432	4.8
69.07054	8.2
70.73683	4.7
71.04958	2.3
72.46277	2.2
79.05501	40.1
81.03420	8.8
81.07059	44.3
83.04990	40.1
83.08616	7.0
85.06547	12.1
91.05485	44.4
93.07053	29.7
93.95379	1.9
95.04977	10.9
95.08623	20.0
97.06515	2.8
97.10158	3.9
99.04457	8.3
99.08097	3.2
105.06399	3.4
105.07039	38.2
107.04970	25.1
107.07394	2.0
107.08589	18.9
109.02879	3.3
109.06539	23.3
109.10162	7.6
110.34153	2.0
111.04452	14.5
111.08109	3.4
115.05469	5.4
117.07019	18.5
119.08580	27.8
121.06531	10.3
121.10167	5.7
123.04421	3.8
123.08025	5.8
123.11673	3.1
125.05997	5.2
125.09617	6.4
128.06244	6.0
129.07007	8.4
131.04932	2.8
131.08580	21.3
133.06512	12.5
133.10120	18.1
135.08054	19.4
135.11705	5.3
137.05969	5.8
137.09630	3.2
141.06999	5.4
143.08592	5.9
145.06483	12.7
145.10153	16.3
146.07230	3.2
147.08052	14.9
147.11716	6.9
149.05965	4.1
149.09642	7.0
151.07521	3.9
155.08563	7.2
157.10146	7.9
159.08061	15.1
159.11674	6.1
160.08812	2.8
161.09613	16.5
163.07576	8.4
163.11165	3.3
169.10127	7.1
171.11702	5.3
173.09621	7.1
173.13278	9.3
175.11191	4.7
177.09082	3.2
177.12730	12.2
178.13531	2.5
179.07063	3.1
179.10707	4.8
183.11716	4.8
185.09550	2.7
186.02510	2.2
187.11215	5.2
187.14784	3.5
189.12767	4.5
197.13338	5.0
199.11160	2.6
205.15906	4.4
211.14528	2.1
215.14369	5.2
225.16466	2.9
229.15910	2.4
233.15439	14.3
239.18054	2.4
243.17531	9.0
248.88210	2.0
253.16055	3.4
261.18469	16.6
271.16907	16.9
289.13263	6.6
289.18011	100.0
289.21527	10.1
305.22708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03951	5.3
55.01874	8.6
55.05509	24.0
56.23291	0.8
57.03432	2.8
59.04973	0.8
64.42085	0.7
65.03941	2.1
67.05505	21.5
68.99771	0.9
69.03414	2.3
69.07072	7.7
69.81871	3.7
71.04982	2.7
73.00603	0.7
73.70839	0.7
77.03929	0.9
79.05492	37.5
81.03423	4.6
81.07056	64.1
83.01334	1.7
83.04968	6.6
83.08631	4.7
85.06544	1.1
91.05480	29.0
92.56941	0.7
93.06490	1.4
93.07044	19.7
95.04974	7.5
95.08607	11.5
97.02880	5.3
97.06512	1.9
97.10177	5.3
98.20845	1.1
99.08113	1.0
103.05460	1.8
105.07030	20.3
107.04958	17.1
107.08595	17.5
109.02888	14.9
109.06512	25.7
109.10175	5.0
111.04454	1.9
111.08057	2.2
112.54086	0.7
115.05453	5.0
117.06236	1.4
117.07014	16.5
119.04955	2.3
119.07715	1.1
119.08585	21.3
121.02871	1.4
121.06512	4.0
121.10113	3.7
123.04430	8.0
123.08063	5.7
125.09634	3.8
128.06200	2.2
129.06990	5.2
131.04910	1.8
131.08568	10.3
133.06516	3.8
133.10120	10.7
135.04391	2.1
135.08052	18.4
135.11678	1.1
137.05971	2.1
137.09633	4.1
141.06978	2.1
142.07767	0.8
143.08568	6.7
145.06483	11.6
145.10138	6.8
146.07237	1.4
147.04381	0.8
147.08051	7.8
147.11678	3.0
149.06039	1.1
149.09679	3.7
151.07533	1.8
151.11182	2.3
153.09096	3.8
155.08556	3.4
157.06532	1.3
157.10172	4.2
159.08061	13.3
159.11678	2.8
160.08928	1.8
161.09637	12.3
161.13252	1.1
163.07547	14.5
163.11185	2.4
165.09106	2.3
169.10162	4.1
171.08008	2.4
171.11699	1.2
173.09598	6.6
173.13223	1.8
175.07590	0.9
175.11162	2.0
177.09164	7.2
179.10684	15.9
183.11736	1.8
185.09590	1.3
185.13304	0.9
187.11185	2.3
189.09122	4.2
189.11024	1.3
189.12721	1.6
191.10695	3.4
197.09610	0.7
201.12805	1.1
201.16418	1.1
203.10606	0.9
207.10185	4.3
215.10710	0.8
215.18007	1.3
221.11810	0.9
225.11217	1.8
225.16385	2.4
229.16000	1.1
243.17477	15.4
247.13277	1.5
253.15846	2.9
261.18484	12.0
271.16949	12.6
289.17975	100.0
290.18314	1.1
309.13144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03959	6.4
55.01881	10.3
55.05272	1.9
55.05518	25.7
57.03440	31.0
57.07077	2.2
65.03934	3.2
67.05508	38.7
69.03423	4.0
69.07069	11.0
69.94193	4.7
71.04992	3.5
79.05496	33.2
81.03407	4.0
81.07061	33.7
81.35387	1.3
83.04989	49.7
83.08624	4.4
85.06542	6.0
85.45032	1.1
91.05488	48.8
93.07048	31.7
93.47054	1.2
95.04970	11.4
95.08614	21.6
97.06506	3.9
97.10177	3.2
99.04458	12.8
99.08099	1.6
103.05466	2.2
105.07039	46.2
107.04964	32.0
107.05574	0.9
107.08601	15.1
109.06523	20.3
109.10152	5.7
111.04441	16.0
111.05153	1.9
111.08086	5.5
113.06030	2.3
115.05465	3.7
115.51071	1.3
117.07031	18.4
119.04969	2.3
119.06132	1.6
119.08584	26.9
119.09383	2.1
121.06530	9.2
121.10159	8.5
123.04443	2.7
123.08073	5.0
123.11693	1.7
125.05995	14.1
125.09699	1.5
128.06227	7.7
129.07037	9.9
130.07802	1.6
131.04936	1.7
131.08577	21.3
133.06496	14.3
133.10135	18.8
135.08072	14.2
135.11711	6.5
137.05992	4.8
137.09624	3.3
139.07631	1.4
139.11284	1.3
141.07036	3.5
143.08583	9.4
144.05714	1.8
145.06508	7.6
145.10129	16.6
146.07265	1.6
147.08055	14.5
147.11687	7.4
149.05966	7.0
149.09618	4.7
149.13260	2.6
151.07542	4.0
155.08577	6.8
157.10162	4.7
159.08092	16.3
159.11699	11.6
160.08908	2.4
161.06006	1.6
161.09615	18.3
161.13257	3.0
163.07576	3.9
163.11214	7.0
165.09122	1.8
167.48935	1.2
169.10129	4.9
171.11685	7.0
173.09618	9.4
173.13264	6.2
175.07564	1.7
175.11250	3.4
177.09149	4.1
177.12778	14.7
178.13573	1.9
179.14333	2.6
183.11705	3.4
185.09526	1.5
187.11200	5.0
187.14766	6.2
189.09160	1.5
189.12784	2.7
191.10727	1.8
197.13277	3.9
199.11218	3.6
201.09196	1.4
201.12720	1.5
201.16360	1.5
201.66579	1.4
203.10632	1.5
205.15837	7.9
211.11314	1.2
215.14352	7.3
215.17934	3.0
217.12285	2.7
225.16386	4.1
233.15379	25.6
233.18942	1.7
243.17479	10.4
243.21095	1.5
253.15944	5.1
257.18976	1.3
261.18515	22.8
271.16974	18.6
287.14651	1.2
289.18030	100.0
289.21542	8.7
289.29337	3.7
290.18335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
53.03945	1.6
55.01873	7.6
55.05513	30.3
57.03439	21.2
59.04998	1.7
65.03919	1.9
67.05507	19.8
68.63496	1.1
69.03406	3.6
69.07078	8.2
70.10430	3.1
70.10821	2.9
71.04990	3.1
79.05492	26.3
81.03422	4.6
81.07059	17.1
83.04967	1.9
83.08617	11.1
85.06554	2.0
87.41241	1.7
91.05487	27.7
93.07047	13.8
95.04986	6.4
95.08604	7.8
97.06551	3.3
97.10191	9.6
97.16046	1.4
98.20892	1.4
103.05487	1.6
105.03391	1.6
105.07046	16.8
107.04960	15.9
107.08602	15.9
109.02882	1.6
109.06516	7.3
109.10162	8.5
111.08079	3.0
113.05983	1.5
113.32201	1.4
115.05478	4.1
117.07021	16.0
119.04932	2.4
119.07809	2.4
119.08588	27.4
121.06510	15.6
121.10148	4.8
123.04455	2.6
123.08067	3.8
125.05984	2.0
125.09638	5.7
128.06242	2.0
129.07031	8.1
131.04906	2.7
131.08582	8.0
133.06467	4.3
133.10129	5.9
135.08057	17.5
135.11690	2.6
137.09641	3.7
141.06982	4.4
143.08559	5.2
144.05705	4.4
145.06503	13.1
145.10110	5.3
146.84668	1.3
147.08044	12.3
147.11726	1.6
149.09578	3.5
149.13208	1.5
155.08572	3.2
157.10106	3.2
159.08061	95.8
159.11687	4.0
160.08810	2.3
161.09572	9.3
161.13168	1.4
163.07547	10.0
163.11285	1.6
169.10149	2.9
171.11639	4.2
173.09586	7.1
173.13258	1.8
175.07494	3.7
175.11186	2.8
177.09123	4.6
183.11681	3.4
185.09651	8.3
187.14825	1.9
193.12230	3.4
197.09560	4.0
197.13322	2.0
199.11197	3.4
203.17969	1.9
205.15849	1.4
211.11168	2.8
215.14452	2.2
219.13570	1.9
225.16299	2.4
233.15375	8.3
243.17430	3.8
253.15837	15.4
261.14075	2.4
261.18582	3.2
271.16910	33.1
289.13168	3.6
289.17993	100.0
289.24875	2.4
291.79126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.01880	6.3
55.05509	10.4
56.15789	3.4
56.24678	4.1
58.60943	3.7
58.80469	3.5
64.47958	3.6
67.05510	15.6
68.71918	3.6
69.03411	3.7
69.07067	21.0
69.49834	3.5
71.04989	12.3
71.49190	4.1
75.98288	4.1
76.07810	3.7
79.05495	24.3
81.03423	5.7
81.07063	50.5
83.04979	16.7
83.08617	4.2
85.06546	23.4
91.05479	16.5
93.07056	51.7
95.04981	21.0
95.08608	47.8
96.53023	3.6
97.02892	4.9
97.06541	27.1
99.04482	28.6
101.06070	4.7
105.07043	40.0
107.04996	7.5
107.08594	36.7
109.06525	29.3
109.10154	8.0
111.08088	25.8
113.06031	5.1
117.07030	4.5
119.08595	23.2
120.08099	3.9
121.06519	94.6
121.10151	6.3
123.04408	4.2
123.08054	6.4
123.11699	3.8
125.06007	15.9
127.03941	6.8
127.07584	9.7
129.07028	7.2
131.08595	5.5
133.10161	21.6
134.03664	3.3
134.78011	3.7
135.04465	6.6
135.08096	11.5
137.06062	8.3
139.07610	18.3
143.07056	6.4
143.08565	4.5
144.08090	12.9
145.10153	8.6
147.08087	8.6
147.11707	52.3
148.07619	4.0
151.11241	10.1
157.08620	14.1
157.10080	9.6
159.06512	14.2
159.23961	3.5
161.13239	11.7
163.03897	7.0
165.12744	20.7
168.07988	4.6
169.12215	23.6
171.11674	14.0
173.09604	4.8
175.11192	31.8
181.10110	4.9
189.12732	28.6
193.12267	31.3
199.08670	9.2
199.11247	31.3
207.12128	3.7
207.13896	15.1
211.07658	5.2
211.13306	40.4
213.05806	3.6
213.70239	3.5
217.12253	100.0
227.10753	5.8
229.14375	13.1
235.13310	79.7
253.14392	37.0
271.10712	8.3
271.13660	27.6
289.06662	7.4
289.11392	13.6
289.15366	17.9
289.18338	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	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75048	5.5
50.82992	4.7
51.59301	5.2
55.05498	6.9
55.67167	5.2
60.90827	5.5
63.40579	5.3
67.05496	20.5
69.03436	6.8
69.07050	18.9
70.05345	25.9
71.04980	10.8
78.32040	5.9
79.05482	24.2
81.03411	6.7
81.07059	52.7
83.04972	22.4
84.04491	15.4
85.06542	8.6
91.05492	13.9
93.07051	58.7
95.04972	16.0
95.08594	40.5
97.06530	28.2
98.97553	18.3
99.04460	25.0
105.07043	42.3
106.55038	6.5
107.04952	10.9
107.08580	30.0
109.06531	33.2
111.08080	22.3
113.06021	5.5
119.08572	24.8
121.05690	8.7
121.06516	100.0
121.10108	7.9
123.08035	6.4
123.11674	12.6
125.06006	14.2
125.16555	5.3
126.05505	5.2
127.07560	7.3
129.01855	5.6
130.06529	5.5
131.08548	6.6
133.02832	9.6
133.10120	19.1
135.08037	13.5
137.05952	11.6
139.07562	23.1
143.07033	9.7
143.08597	7.4
144.08060	9.5
147.11705	52.5
151.11122	10.0
152.70473	5.5
157.08670	11.5
157.10153	15.5
159.06497	18.0
161.13248	14.6
165.12746	19.9
169.12267	13.2
171.11673	11.2
175.11243	30.6
189.12723	22.0
193.12250	40.9
199.11229	29.5
207.13802	17.8
211.13280	33.0
217.12253	91.2
229.14331	10.5
235.13297	84.1
253.14406	47.5
271.13470	25.0
288.79166	5.6
290.11560	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
64.22847	0.7
67.05495	1.1
69.51304	4.9
81.07044	1.2
91.05469	1.8
93.07036	1.5
95.04984	0.9
97.51105	0.9
99.04470	1.0
115.69038	0.9
118.06522	1.7
121.06479	1.0
123.04434	1.0
127.03928	1.5
129.06989	2.7
130.06537	2.3
131.07339	1.9
142.06540	1.1
143.07355	0.8
143.08546	2.5
144.08084	20.2
149.74001	0.8
153.06912	1.3
154.06506	8.9
155.07317	3.9
156.08083	3.9
163.03865	1.0
167.07320	3.7
168.08093	63.3
169.08749	1.8
170.06056	6.2
170.09656	34.7
172.07603	2.0
180.03271	0.9
180.08086	3.5
181.93002	1.0
182.06097	1.5
182.09656	3.0
186.09146	30.6
188.07063	1.8
194.05980	1.5
196.07590	59.0
198.09174	4.6
199.08746	4.6
200.07042	12.6
208.07614	1.1
212.07028	7.3
214.08633	35.1
216.10231	9.9
217.09698	12.1
226.08656	3.7
227.10568	1.0
228.10229	6.4
242.08150	12.9
245.10565	1.5
245.12891	18.0
254.08162	1.1
260.09195	100.0
261.09662	1.2
266.34372	0.9
271.10757	2.8
271.13528	1.5
272.09195	10.9
289.06256	7.3
289.11737	16.8
289.15335	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	289.1184
Annotation	Limazepine A
Peak:m/z	Relative Intensity
54.03487	1.1
55.01863	1.3
55.05515	1.3
55.62727	0.7
57.03447	0.9
61.29315	0.7
65.03949	1.4
66.26460	0.9
67.05475	1.4
67.91060	0.7
68.99795	1.0
69.03404	1.6
70.06598	1.6
70.91784	1.6
74.06076	2.0
79.05491	1.6
81.03413	2.4
81.07071	0.8
82.02950	0.9
83.04971	1.1
85.02884	1.0
91.05486	2.8
93.07021	1.1
95.08629	0.9
97.02898	0.9
105.07047	1.2
107.04979	3.1
109.02914	1.1
110.06042	3.0
111.04447	2.2
115.05492	0.9
116.07090	1.1
117.05775	0.8
117.07000	1.7
118.06550	2.2
118.17693	0.9
120.08095	8.3
121.06511	1.1
123.04446	3.4
126.42192	0.7
127.03904	4.0
129.07011	1.0
130.06557	2.7
131.04936	1.7
133.08905	0.8
135.04428	7.0
136.07581	3.0
137.02385	1.0
139.03900	6.6
143.06081	2.0
143.07228	1.4
144.08090	35.9
145.02876	0.9
147.04419	1.7
148.07600	1.1
149.02357	1.1
149.06071	1.2
151.03903	2.1
152.10715	5.8
153.01814	1.1
154.06482	3.7
155.06062	1.1
156.04491	0.9
156.06856	2.4
156.08067	1.4
160.07532	1.7
161.10794	1.4
163.03929	5.5
164.07063	1.5
169.07643	2.6
170.06091	4.3
170.08409	3.1
170.71494	0.8
171.09187	27.0
172.07581	1.2
175.05914	1.1
181.07640	1.9
182.06067	0.9
182.08363	0.9
183.09210	2.3
184.07648	1.6
187.03912	0.9
199.08679	91.1
200.09250	2.4
211.08698	0.8
213.10211	6.7
215.07022	1.4
225.10156	4.0
227.08307	1.2
228.08928	1.3
229.09732	28.6
243.06561	1.4
243.14975	5.0
253.09740	3.4
261.15973	1.2
271.10794	80.9
271.14328	9.3
272.06403	0.9
286.34521	0.8
289.07300	6.9
289.11859	100.0
289.15277	4.6
289.19012	7.5
290.12125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.23633	0.3
51.96541	0.3
53.03937	0.7
55.01864	0.6
56.96305	0.4
56.96566	6.1
57.03431	0.4
61.02924	0.7
63.57022	0.4
69.03432	1.8
71.04975	0.4
71.48320	0.4
72.22958	0.4
79.05485	1.0
81.03423	1.3
81.07043	0.4
83.04995	0.4
84.96035	0.5
85.02898	4.9
89.03912	5.3
89.09945	0.3
95.06107	0.7
97.02883	2.1
98.97582	0.4
99.04441	0.6
107.04957	3.5
109.02869	1.2
111.04455	0.5
111.21268	0.4
111.42652	0.4
117.03397	4.4
121.02834	0.4
123.04443	1.5
124.99133	1.0
127.00693	1.5
127.03919	100.0
128.04262	0.9
135.04431	8.7
139.03905	1.0
143.00125	1.7
143.53555	0.4
145.01759	0.6
145.02808	4.0
145.04924	0.7
151.03951	0.4
161.01208	0.7
163.03906	23.2
164.04242	1.6
170.99699	0.6
171.03275	0.5
181.01787	1.4
182.99457	0.4
185.01210	0.5
189.00807	0.4
195.03294	0.6
197.04852	0.7
199.02864	0.5
217.84639	0.4
223.02843	1.8
241.03853	6.8
242.04175	0.4
249.02835	0.6
259.04855	1.8
267.03915	0.9
285.04962	0.6
289.06589	0.8
289.12589	2.0
308.45822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03937	0.8
61.69360	0.5
67.01872	2.8
67.72585	0.5
68.99788	3.5
69.03419	2.2
71.49535	0.8
74.38340	0.5
77.52360	0.5
79.05478	1.5
83.01355	0.7
89.03422	0.6
89.03920	6.2
91.05495	0.6
93.03407	0.7
95.04983	0.8
97.02889	1.5
107.04939	2.5
111.00827	3.0
111.04433	2.1
117.03377	9.8
120.08104	1.0
123.04417	4.2
127.03883	0.5
135.04417	15.0
137.02299	0.6
137.05988	1.1
139.03905	2.1
145.02852	11.6
151.03935	1.5
153.01833	100.0
159.04387	1.5
159.35384	0.5
161.03259	0.6
161.05968	0.7
163.03909	60.3
164.07071	7.2
171.02916	3.5
175.12898	0.6
177.05586	0.7
179.03444	5.3
179.44591	0.5
185.05945	0.6
187.03928	2.4
205.04955	1.1
247.06041	1.0
253.04907	0.7
257.83069	0.6
271.06210	2.4
271.14212	1.6
274.03030	0.5
289.07080	73.3
289.15952	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01870	3.2
56.96563	4.8
57.03429	8.4
58.99865	4.3
61.02907	7.3
64.89216	2.1
69.03444	13.9
70.99841	3.8
71.48320	2.9
73.02912	15.9
74.03252	2.3
79.05485	8.2
81.03416	8.5
81.04540	13.4
82.94518	2.0
82.99831	12.4
83.04970	3.1
83.23948	2.6
83.92136	1.9
85.01406	9.3
85.02906	23.7
86.03236	2.7
86.99384	2.2
89.00919	4.3
89.03927	11.8
92.33437	2.5
93.07066	2.1
95.04959	5.9
97.01411	7.0
97.02882	11.4
99.04420	3.6
101.00883	74.4
102.00931	2.3
102.43274	2.3
103.00620	3.6
103.02451	18.8
105.73490	2.1
107.01961	2.5
107.04961	29.6
108.05268	3.0
110.97703	2.7
111.04415	3.6
113.00871	18.2
114.00883	2.6
115.00626	5.6
115.02426	30.1
117.03376	10.2
117.04087	3.7
118.03712	2.7
119.01925	100.0
120.01976	4.0
121.01665	3.9
121.03485	5.8
121.06478	3.1
124.99168	3.2
126.98800	2.6
127.00751	2.2
127.02438	6.1
127.03922	12.2
127.05037	22.0
129.04012	8.9
130.60533	2.4
131.01926	29.3
132.02052	3.0
133.01677	7.0
133.03476	81.8
135.04376	26.8
136.04726	2.9
137.02966	8.5
141.03961	2.9
143.01913	39.8
144.99863	4.6
145.01694	5.2
145.02621	2.8
145.03638	24.2
145.04642	3.9
146.03499	4.7
147.01434	5.5
147.03152	3.8
147.05054	7.5
149.03041	5.3
151.02681	2.3
151.04640	12.5
153.00369	2.5
153.03952	6.5
155.01868	17.4
156.02087	3.5
157.03441	11.9
159.01431	3.0
159.05035	7.4
161.02960	68.8
163.02698	3.2
163.03882	75.5
164.04259	10.0
167.01871	3.1
167.07095	2.8
168.99828	15.3
169.03430	13.0
170.03651	3.1
171.01404	19.9
171.03166	5.1
171.05064	7.0
173.02953	27.6
173.06630	3.4
174.03064	2.5
174.04459	3.1
175.00955	3.4
175.02821	2.8
175.04512	10.7
177.02394	2.7
179.02039	2.3
181.07108	6.5
183.01555	2.6
183.03340	4.5
183.05035	14.3
183.55116	8.4
184.04953	4.5
185.02963	14.0
186.03093	3.0
187.00972	25.4
187.02698	4.7
187.04381	11.6
189.02455	20.1
189.04015	3.4
190.05780	3.0
191.02008	2.2
191.03978	10.0
192.05540	4.1
192.55791	6.8
193.05490	6.6
196.99358	3.9
197.02979	10.4
197.04709	3.6
199.00903	11.5
199.02667	3.7
199.04526	4.7
199.06250	4.2
199.08211	3.0
201.02434	5.7
201.04306	4.8
201.06129	9.7
203.04016	35.6
204.04103	2.6
205.01941	6.6
205.03725	2.6
207.03459	4.5
209.02977	4.7
209.04807	2.4
209.06760	2.5
211.04507	3.6
213.02490	2.4
213.06134	3.5
215.00377	32.3
215.03931	4.8
215.07578	2.8
217.02000	19.7
217.05727	4.3
219.03508	6.7
221.03038	4.9
221.04868	12.0
223.02751	5.4
223.04857	3.0
225.06168	5.2
227.04028	13.5
228.74550	3.1
229.02016	10.1
229.05762	5.2
231.03616	4.9
233.01385	7.3
239.06123	7.6
241.03914	8.8
243.07185	5.5
245.05110	15.2
247.02997	24.0
253.05554	4.1
257.05115	8.4
265.03998	4.6
267.06357	2.6
271.02917	3.6
275.02469	5.2
278.19336	2.2
289.03940	15.0
289.07660	37.9
293.03671	5.9
307.04910	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	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05502	1.5
56.52623	1.1
56.96553	1.7
57.03426	2.9
58.99859	2.1
64.52808	1.2
68.98280	1.5
69.03419	3.5
70.99854	4.0
71.48249	1.2
73.02917	3.1
73.90328	1.1
81.03449	1.6
81.04520	1.1
82.99840	11.5
83.00306	1.4
85.01404	2.6
85.02918	7.4
89.00871	1.6
89.03906	1.2
97.01382	8.0
97.02895	5.5
101.00891	96.0
103.02459	1.8
107.04994	1.4
109.01357	1.1
109.02852	1.0
109.07687	1.3
111.02937	1.1
113.00877	19.2
115.01659	1.9
115.02448	26.9
117.04009	2.6
118.01716	1.1
119.01933	100.0
120.02001	1.4
124.01082	1.2
126.98798	4.1
127.02406	5.3
127.03931	2.5
127.08693	7.5
128.98613	1.2
129.00325	1.2
129.03984	8.4
131.01918	27.1
133.03484	35.4
137.02956	7.2
143.01906	33.5
144.99837	4.2
145.03513	13.9
147.01346	2.6
147.04996	7.4
149.02979	4.7
151.04521	3.3
153.01747	1.1
155.01891	10.9
157.03477	8.7
159.01488	2.8
161.02972	62.1
162.03009	1.8
163.02737	1.2
163.03955	2.3
167.01915	2.2
168.92482	1.1
168.99850	14.4
169.03502	5.0
171.01411	14.1
171.05061	2.0
173.02972	21.8
175.00856	3.3
175.04524	2.9
177.02475	1.5
179.02049	1.4
179.04047	1.9
183.04993	2.7
185.02942	8.8
187.00909	31.3
187.04507	7.9
187.63945	1.2
189.02489	12.5
189.06122	1.8
190.05836	1.5
191.04016	10.0
193.01874	1.4
196.99303	8.1
197.03000	3.9
199.00885	13.2
199.04575	3.7
199.06326	2.3
201.02484	5.6
203.00285	2.0
203.04034	5.5
205.02008	8.4
207.03506	3.5
209.02948	2.2
211.02815	1.2
215.00388	34.5
215.03851	2.5
217.01950	21.3
217.05547	1.1
219.03519	8.3
221.05070	4.3
227.03990	3.4
229.01962	10.6
229.05524	2.4
231.03554	2.6
233.01436	5.7
235.03191	1.7
235.06622	1.6
239.06313	1.3
247.03017	30.4
253.02089	1.7
257.05112	5.8
259.03070	1.8
259.06525	1.1
265.04071	4.5
271.02921	2.8
277.04004	2.1
289.04089	12.3
289.07718	12.6
293.03571	3.3
307.05154	4.3
307.08578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1392
Annotation	Pilosine
Peak:m/z	Relative Intensity
54.37603	0.3
55.01880	0.7
71.04999	1.2
71.45563	0.6
90.48219	0.3
99.04502	0.4
108.04468	1.3
108.81544	0.3
118.06551	0.7
130.06528	2.6
143.07350	0.6
144.08090	6.0
154.06540	0.8
156.06888	0.4
156.08069	0.8
168.08101	0.7
169.07610	4.3
169.08908	0.5
170.08408	1.7
170.09665	0.4
171.09180	1.5
180.08090	1.2
182.09721	0.9
183.09151	0.6
194.09624	0.8
195.09227	0.8
196.07561	0.5
196.11272	0.5
197.07077	0.8
197.10739	1.4
206.08221	0.4
206.09970	0.4
207.09258	1.7
208.09950	4.4
209.10751	0.9
211.08687	0.5
213.10242	4.5
215.08167	0.8
221.10803	0.5
223.08673	0.9
223.12239	1.6
224.09450	1.1
225.10242	29.5
226.10947	0.6
231.04704	0.3
233.10751	0.6
234.09361	0.3
234.11598	0.9
236.09456	0.5
238.11090	0.4
238.31381	0.3
239.11913	0.5
250.10770	0.4
251.11810	5.3
269.12863	100.0
270.13110	1.2
287.05441	1.0
287.13910	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	287.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01869	2.3
55.05487	1.2
57.03436	2.7
69.03445	1.3
70.58303	1.0
70.82893	2.6
78.04717	1.7
78.86505	1.0
79.05498	9.5
81.03412	1.9
81.07045	1.5
91.05479	4.3
93.07037	1.7
94.68592	1.2
95.04973	2.9
98.98462	2.4
103.05470	8.4
105.03425	1.0
105.07032	7.3
106.04176	1.2
107.04961	58.3
109.02882	1.4
114.09145	7.1
115.05471	3.6
117.07006	2.0
120.05711	1.3
121.02892	3.4
121.06493	1.7
123.04443	4.4
124.05181	3.0
125.05999	1.3
129.73552	1.2
130.06529	1.3
131.04895	3.4
133.06520	2.0
135.08041	18.7
137.02357	2.0
137.05959	3.1
144.08078	2.6
145.06485	1.6
147.04446	3.1
149.06004	2.5
151.07523	1.7
152.04671	2.3
153.01826	4.9
154.06239	2.3
157.97609	1.1
161.06007	1.5
163.07552	36.5
167.07051	100.0
168.07750	1.4
170.06023	2.0
180.07800	4.1
185.06017	2.0
193.08682	1.9
195.08130	3.5
195.10188	27.9
198.08017	1.4
199.08749	1.4
208.10086	1.3
211.09657	4.3
213.05507	4.1
213.09364	2.0
213.11258	28.8
223.07587	2.2
227.10716	5.1
241.08578	1.6
255.10065	3.8
256.10785	1.5
269.12912	7.2
287.05524	67.0
287.10217	6.7
287.13733	10.6
288.05927	1.6
291.49133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01865	0.2
65.03934	0.4
67.01854	0.3
68.99450	0.3
68.99794	2.6
69.03407	0.2
69.22837	0.1
70.62735	0.4
71.92075	0.1
79.05492	0.6
80.50661	0.1
81.03412	0.4
84.28139	0.1
91.05478	0.2
95.01283	0.1
95.04984	0.4
97.76055	0.2
103.05489	0.1
105.03383	1.1
107.04950	1.4
109.02888	0.9
111.00826	1.9
111.04459	0.3
115.05466	0.2
117.07024	0.2
119.04955	0.3
121.02872	6.6
121.03899	0.3
125.20193	0.1
125.75368	0.1
127.03874	0.2
129.06998	0.5
130.06549	0.1
133.02808	0.7
133.06587	0.1
135.04443	0.4
136.07581	0.4
137.02341	2.4
141.07011	0.3
145.06508	0.6
147.04419	1.5
153.01834	11.1
157.06520	1.4
161.05988	0.5
164.07098	0.2
165.01837	4.2
169.06462	0.2
171.04405	0.7
183.02924	1.5
185.05957	1.1
189.05431	0.3
197.05980	0.4
201.05556	0.2
203.07088	0.4
213.05466	3.5
217.04890	0.2
225.10258	0.8
229.04962	0.4
231.06511	1.3
241.04965	1.8
242.05551	0.1
243.06650	0.3
251.11880	0.2
258.05240	2.4
259.06039	1.0
269.04550	0.2
269.12851	2.5
287.05505	100.0
288.05865	1.7
291.29181	0.1
308.72043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
53.03940	0.5
55.01873	0.8
61.10372	0.3
65.03954	0.3
65.92323	0.3
68.99786	2.1
69.03436	0.3
71.48016	0.4
79.05482	1.3
81.03423	0.4
81.07039	0.8
83.04942	0.3
91.05475	1.5
95.04962	0.8
99.04514	0.3
103.05475	1.8
105.03412	0.7
105.07027	1.2
107.04960	2.1
108.04481	0.5
109.02862	1.0
109.06512	1.3
111.00783	1.8
111.04440	0.8
115.05467	0.8
117.07071	0.8
119.04957	0.7
121.02011	0.5
121.02875	6.9
121.03747	0.6
121.06524	2.8
122.03706	0.3
123.04443	0.4
129.07005	0.6
130.06549	0.8
131.04922	1.8
133.02873	0.8
134.03685	0.4
135.04399	0.4
135.08069	2.6
137.02356	2.3
137.05977	4.8
141.07001	0.7
143.04964	0.6
144.08087	2.2
145.06448	0.9
147.04459	2.4
148.05200	0.3
149.05974	4.1
151.07550	3.7
152.06181	2.9
153.01831	9.7
153.06870	0.3
157.06494	1.6
161.05940	0.6
163.03917	0.7
163.07552	5.4
165.01828	3.4
165.06993	2.3
165.09123	0.9
166.07808	1.9
167.07193	0.4
167.08575	9.2
169.06427	0.7
169.07674	0.7
170.08400	0.7
171.04375	0.5
171.09187	0.5
175.07539	0.3
177.07018	0.8
177.09088	0.4
180.08064	0.3
181.06512	1.1
181.10147	0.7
183.02908	1.7
183.08018	0.4
184.08839	0.8
185.05997	1.1
187.03926	0.3
189.05481	0.5
194.07268	1.4
195.08063	12.7
196.08789	0.5
197.06021	2.8
199.11246	0.4
203.06934	0.5
207.09241	0.6
208.09926	1.7
209.09651	1.3
211.07472	0.8
212.08345	2.6
213.05481	3.4
213.10291	0.7
214.05795	0.3
220.58296	0.3
223.07547	4.7
225.05626	0.4
225.10248	13.1
227.10652	13.3
229.05043	0.6
231.06535	1.6
233.10857	0.5
237.09164	0.9
239.07053	0.5
240.07872	0.8
241.04944	1.7
241.12306	0.5
251.11740	1.2
255.10175	11.4
256.10693	0.3
258.05283	1.7
259.06027	0.9
259.13266	0.4
269.04538	0.6
269.12866	30.5
287.05511	100.0
287.13583	10.2
288.05841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.90829	0.1
53.03942	0.3
55.01868	0.1
62.53716	0.1
65.03941	0.4
67.01856	0.4
68.99796	2.5
69.03431	0.3
70.59785	0.4
71.01344	0.2
79.05492	0.7
81.03410	0.4
89.93366	0.1
95.04993	0.3
97.02905	0.2
103.05456	0.4
105.03395	0.8
107.04964	1.5
109.02907	0.9
111.00824	1.5
111.04446	0.2
115.05460	0.2
117.06985	0.2
119.04993	0.2
121.02887	6.9
121.03944	0.5
123.04470	0.1
127.03918	0.2
128.06276	0.2
129.07002	0.4
131.04858	0.1
132.91260	0.1
133.02872	0.9
135.04437	0.5
136.05164	0.1
137.02362	2.3
139.05504	0.2
141.07001	0.3
144.08145	0.1
145.06497	0.5
147.04437	1.4
153.01845	12.1
157.06494	1.5
161.05995	0.4
165.01855	3.8
169.06377	0.2
171.03116	0.2
171.04448	0.8
175.07573	0.1
183.02916	1.6
184.05287	0.2
185.05978	1.3
189.05510	0.3
194.02211	0.2
197.06055	0.4
203.03331	0.2
203.07050	0.2
208.09998	0.1
213.05484	3.3
216.04274	0.2
217.04970	0.2
225.10327	0.9
229.04982	0.5
231.06528	1.4
241.04950	1.9
242.05865	0.2
243.06586	0.2
251.11746	0.2
258.05283	2.6
258.37000	0.1
259.06152	0.9
269.04449	0.2
269.12878	3.0
287.05527	100.0
288.05829	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.05504	0.3
61.04847	0.2
61.09338	0.2
62.68661	0.2
67.01865	1.7
67.05499	0.4
68.99803	1.5
69.07066	0.4
71.48125	0.2
79.05486	0.7
81.03420	0.2
81.07052	1.0
89.03933	0.5
91.05479	0.7
93.07042	0.7
95.08616	0.5
103.05466	0.4
105.07031	0.9
107.04936	0.7
107.08588	0.8
109.02895	0.3
109.10132	0.6
111.00816	0.6
114.64658	0.2
115.05525	0.4
117.03378	0.7
117.07027	0.4
119.08578	0.8
121.02872	0.9
121.10134	0.4
127.03905	0.2
129.07013	0.3
131.04901	0.2
131.08540	0.3
133.10127	0.5
135.04427	3.8
135.11653	0.3
137.02328	1.5
143.08452	0.3
145.10100	0.6
147.04352	0.3
147.11681	0.8
153.01842	10.5
157.06474	0.3
157.10173	0.4
159.11710	0.5
161.02377	1.3
161.06021	0.3
163.07654	0.3
165.01909	0.4
167.08562	0.3
171.02950	0.5
171.04445	0.3
179.03389	0.4
185.05989	0.4
185.44818	0.2
189.05406	0.3
199.03838	0.2
201.16443	0.8
213.05440	0.8
213.16362	0.3
219.06487	0.3
227.10721	0.2
231.06677	0.3
241.04974	1.6
241.09686	0.5
255.10155	0.2
258.05304	0.5
269.04495	0.9
269.12863	1.9
269.22629	0.7
272.09378	0.4
274.60345	0.3
287.05515	100.0
287.12054	6.6
287.23663	1.7
288.05847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03955	0.2
54.85166	0.1
55.01860	0.2
65.03951	0.4
67.01850	0.4
68.99794	2.1
69.03439	0.3
69.46431	0.6
69.79467	0.1
71.01351	0.1
79.05482	0.4
81.03417	0.2
85.02882	0.1
85.39735	0.1
91.05497	0.1
93.03428	0.1
95.04980	0.2
97.02866	0.1
103.05470	0.2
105.03411	0.9
105.07040	0.2
107.04968	1.5
109.02882	0.9
109.65659	0.1
111.00803	1.5
111.04449	0.3
115.05455	0.3
117.07023	0.2
119.04918	0.2
121.02876	7.0
121.03925	0.3
127.03912	0.3
128.06252	0.1
129.06995	0.4
131.04968	0.1
133.02870	0.8
135.04471	0.4
135.05382	0.1
137.02350	2.5
139.03868	0.1
141.06963	0.3
142.35727	0.1
145.06512	0.5
147.04422	1.4
150.30794	0.1
151.03745	0.1
153.01839	10.8
157.06509	1.4
161.02420	0.1
161.05974	0.6
165.01845	3.8
166.02547	0.1
169.06577	0.2
171.03009	0.1
171.04448	0.8
175.03961	0.2
175.07628	0.1
175.85851	0.1
183.02895	1.5
184.05150	0.1
185.05972	1.3
189.05429	0.3
194.02115	0.1
197.05969	0.3
201.05476	0.2
203.03426	0.3
203.07034	0.3
212.04616	0.1
213.05481	3.1
217.04945	0.1
223.03835	0.1
225.10295	0.2
229.04924	0.5
231.06528	1.1
241.04959	1.7
242.05850	0.1
243.06575	0.2
245.04417	0.1
258.05252	2.1
259.06030	0.9
269.04459	0.4
269.12836	0.4
286.04596	0.1
287.05511	100.0
288.05807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.3
60.19688	1.3
67.28216	1.5
69.03420	2.0
70.06602	1.7
71.07958	2.7
73.26833	1.2
79.05511	1.6
80.05029	1.7
85.02905	3.6
89.03914	4.6
91.66934	1.4
95.06095	2.2
106.06557	15.1
107.04966	2.9
110.07162	5.5
117.03384	5.5
120.08096	3.2
124.03945	33.3
124.07583	15.9
124.99125	2.2
135.04436	7.1
143.00191	1.7
144.08116	1.7
145.02859	3.8
146.09642	5.7
160.07605	1.7
163.03900	31.4
163.12254	2.9
164.04222	2.6
164.07072	1.6
178.08662	2.4
185.01166	1.5
190.08627	84.3
192.06564	2.4
199.04556	2.4
208.09712	5.9
222.11253	100.0
286.09164	4.5
286.12723	2.5
286.17352	5.7
287.05481	4.7
287.11053	2.7
291.03864	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	287.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70551	0.4
70.80844	0.9
70.81217	0.9
82.99854	0.6
96.59743	0.4
98.97704	0.4
101.00896	5.2
102.00990	1.2
103.00651	3.1
116.98858	0.6
119.01923	8.0
120.02011	2.2
121.01678	4.0
137.02975	0.6
140.98895	0.9
142.03557	0.7
142.98592	0.6
143.98685	0.5
150.47981	0.4
153.17471	0.4
158.99898	1.4
160.99623	2.3
161.02998	0.6
161.99747	2.4
172.94179	0.5
176.00284	0.6
177.00970	7.9
178.01057	0.8
179.00710	8.9
180.00815	8.7
181.03435	0.6
182.03719	1.0
183.00047	0.5
184.99640	1.1
185.99910	0.8
200.00186	0.9
200.04677	0.5
201.00938	0.9
203.00790	1.6
204.00774	2.6
209.24977	0.5
218.01254	5.8
219.02052	8.2
219.03925	1.3
220.02147	1.3
220.04086	2.6
221.01791	10.7
222.01936	14.9
227.00829	1.1
228.00801	2.7
238.99615	0.7
240.98157	0.7
244.99057	0.7
245.01633	5.0
245.99467	0.9
246.01927	11.9
250.00256	0.8
262.03207	2.1
262.99759	1.6
263.02859	46.4
264.00473	20.4
264.03067	100.0
265.02835	2.8
279.12265	0.6
281.00748	0.7
282.01642	4.6
286.04532	0.5
286.99503	4.1
287.02490	0.6
287.05118	4.3
305.00800	4.9
305.04279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.23806	2.6
53.03955	4.8
55.05516	17.0
57.03448	2.8
57.33108	2.8
58.81371	2.6
62.72701	2.7
64.58119	3.0
67.05506	28.0
69.03430	4.2
69.06741	3.8
69.07073	64.7
69.28349	19.0
69.28760	4.9
71.04990	4.7
79.05483	17.2
81.07052	45.1
82.19341	3.0
83.04990	7.2
83.08611	9.4
85.02916	3.8
88.15394	2.5
91.05471	30.5
92.11433	2.6
93.07044	32.1
95.04980	14.8
95.08614	41.3
97.06519	21.5
97.10181	10.7
98.20799	5.6
105.07040	69.7
107.08603	48.6
109.06531	25.0
109.10168	32.6
111.08058	8.9
117.07046	6.8
119.08589	100.0
121.06512	13.3
121.10151	38.4
123.08114	5.6
123.11719	28.9
131.08559	13.1
133.10127	52.6
135.08032	15.9
135.11713	16.4
137.09621	4.8
142.07819	5.6
143.08562	11.6
145.10167	23.6
146.07202	5.7
147.08011	5.8
147.11684	20.3
149.09616	5.6
149.13237	5.0
151.11119	3.3
155.08530	6.6
156.09331	5.6
157.10115	13.6
159.08101	3.3
159.11690	16.3
161.09616	94.2
161.13255	12.0
163.11237	3.7
167.08524	4.2
169.10136	9.5
171.11694	12.8
173.09616	4.0
173.13231	9.8
175.11287	6.7
175.14832	62.7
177.16396	15.2
182.10968	3.8
183.11697	5.8
185.13206	13.4
187.14771	5.4
189.16368	4.0
193.15863	10.6
197.13235	11.5
199.14864	3.6
201.12752	3.3
203.17952	5.4
211.14832	12.8
238.40094	2.8
255.21074	3.5
267.21112	16.6
285.22089	53.8
285.29700	3.3
290.71738	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55262	1.7
53.03938	3.1
55.01862	5.7
55.05513	25.6
57.03441	51.5
58.68636	1.8
59.04989	3.6
67.05181	2.9
67.05506	36.3
68.46011	1.6
69.03410	6.3
69.07069	10.2
70.21735	1.7
70.61398	5.4
71.05004	11.8
79.05075	2.8
79.05496	38.6
81.03422	91.8
81.06597	3.5
81.07056	53.4
81.07529	2.9
83.04982	18.2
83.08161	2.4
83.08621	37.7
85.02910	82.0
85.06506	2.1
91.05488	43.5
93.07050	25.4
95.04376	2.7
95.04977	33.7
95.08609	15.9
97.02898	3.4
97.06521	6.1
97.10167	4.3
99.08064	2.0
105.07037	33.5
107.04950	7.4
107.08611	15.2
109.06500	6.3
109.10150	4.9
111.04395	2.6
111.08073	21.3
113.06012	7.2
115.34167	2.1
115.35059	1.8
116.56568	1.6
116.94946	1.7
117.06982	3.2
119.08587	28.6
121.06441	2.1
121.10156	15.6
123.08117	3.5
123.11711	5.6
125.06056	2.2
125.09673	2.5
127.71787	1.6
129.07011	16.4
131.08572	14.9
133.06502	3.1
133.10139	13.1
142.07762	2.1
145.10072	2.8
147.08055	5.4
147.11707	27.1
149.09601	8.5
151.11215	2.5
155.08467	2.0
157.10133	23.3
165.12761	7.3
175.11201	27.4
193.12251	100.0
211.13300	72.7
225.09042	3.4
253.08626	6.5
270.03946	2.3
285.11743	4.2
285.16931	52.5
285.22101	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	285.1697
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
52.03149	1.1
53.03930	4.7
55.01865	4.0
55.05513	26.2
57.03441	44.3
59.05006	1.2
65.03950	2.1
67.05507	33.6
68.06924	1.3
69.03420	5.4
69.07065	8.5
69.72048	5.0
69.72456	2.2
71.05000	10.4
79.05495	31.9
81.03423	77.7
81.06599	2.1
81.07059	40.9
83.04977	16.5
83.08616	32.5
85.02907	80.6
85.06533	2.8
91.05483	37.9
93.07044	23.2
95.04971	31.6
95.08611	14.2
95.40318	1.2
97.02893	4.2
97.06539	3.6
97.10155	4.0
105.07039	30.1
107.04945	5.6
107.08578	9.4
109.06519	5.7
109.10142	4.7
111.04436	2.5
111.08080	17.1
113.06038	8.1
115.05472	2.4
119.08588	24.1
121.06513	2.5
121.10151	15.2
123.08052	2.9
123.11695	4.0
125.09626	2.0
128.06258	1.5
129.07036	13.4
131.08549	11.8
133.06506	3.6
133.10133	12.8
135.11722	1.3
137.09622	1.8
142.07765	3.5
145.10117	1.9
147.08035	3.6
147.10522	1.9
147.11688	22.9
149.09628	7.8
152.03773	1.3
157.10141	19.2
164.72638	1.2
165.07027	1.6
165.12794	5.9
175.11179	24.1
178.47737	1.3
193.06462	1.8
193.12254	100.0
202.34483	1.4
210.06905	1.9
211.13293	73.7
221.05931	2.1
225.09154	3.7
229.14444	1.3
236.17989	1.3
253.08670	5.5
285.07840	1.7
285.11395	3.4
285.16983	55.9
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	Unknow
Peak:m/z	Relative Intensity
53.03959	5.4
55.01862	5.4
55.05515	30.7
55.58152	2.3
57.03439	58.7
57.07076	5.2
60.04521	3.4
64.56596	2.1
65.03934	2.7
67.05506	42.8
69.03424	6.1
69.07066	14.4
69.14056	13.7
69.14478	11.6
71.04986	13.6
71.08630	3.7
71.54356	2.4
71.80098	2.0
79.05499	37.6
81.03421	93.2
81.07059	64.6
83.04984	26.6
83.08624	36.2
84.08940	2.6
85.02908	99.0
85.06554	3.8
89.47852	2.2
91.04916	3.3
91.05486	55.7
93.07046	34.3
95.04971	50.1
95.08605	21.6
97.02863	4.7
97.06518	8.8
97.10178	3.7
99.08112	2.5
105.07035	43.9
107.04942	9.0
107.08589	17.4
109.06519	7.6
109.10154	8.5
111.04449	8.3
111.08080	19.3
113.06018	5.6
115.05546	2.7
119.08586	34.7
121.10121	23.3
123.08069	4.8
123.11621	4.8
127.07539	2.3
129.07004	18.2
131.08586	19.5
133.10139	19.6
135.11697	2.7
137.09639	2.9
142.07768	5.7
145.10143	5.0
147.08037	4.7
147.11687	34.8
149.09642	9.9
157.10114	23.4
165.12788	6.4
175.11195	33.7
193.10439	4.8
193.12245	100.0
211.13301	64.9
229.19365	2.4
268.26364	2.2
285.16885	65.9
285.21912	4.9
285.25732	7.6
285.29620	17.7
309.31378	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01865	5.3
55.05516	30.4
57.03441	62.7
61.85769	2.1
67.05505	40.1
69.03425	4.7
69.07065	10.0
70.15921	9.5
71.05000	11.3
71.59350	2.3
75.08813	2.2
77.14170	2.2
79.05499	43.9
81.03421	100.0
81.07056	58.7
83.04984	24.7
83.08620	47.3
85.02909	98.0
85.06543	5.0
85.68407	2.3
91.05482	64.1
93.07047	32.5
95.04973	45.1
95.08611	19.8
95.73624	2.1
97.02917	4.6
97.06519	6.1
97.10178	5.9
105.07036	40.9
107.04947	9.0
107.08584	13.8
109.06524	9.8
109.10175	5.9
111.04451	4.1
111.08108	21.0
113.06022	5.7
117.07053	3.6
119.04949	2.5
119.08582	33.8
121.10149	21.2
123.08112	4.6
123.11678	5.5
129.07014	14.1
131.08588	19.5
133.06520	3.9
133.10109	21.5
137.09653	3.9
142.07788	4.3
147.08034	6.3
147.11707	31.6
149.09639	11.4
157.10130	25.7
165.12770	6.4
175.11186	29.7
193.12254	97.4
211.13304	70.5
285.16949	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01863	8.4
55.05517	28.0
57.03446	59.6
57.07070	2.0
65.03935	3.4
67.05511	43.9
69.03424	7.1
69.07069	11.6
69.30180	2.6
69.30521	19.4
71.05004	9.9
79.05502	39.7
81.03425	94.4
81.07066	57.9
83.04991	23.7
83.08622	40.7
85.02914	100.0
85.06516	5.9
91.05492	58.5
93.07059	30.0
95.04974	45.0
95.08624	21.6
97.02883	4.2
97.06532	5.7
97.10136	4.1
105.07035	41.9
107.04938	8.4
107.08585	14.6
108.84890	2.3
109.06516	8.4
109.10152	4.4
111.04465	5.5
111.08096	22.7
113.06001	7.2
115.05415	2.2
117.06978	2.7
119.07815	3.0
119.08598	35.8
121.10163	19.2
123.08089	6.8
123.11703	5.3
129.07013	15.0
131.08589	18.9
133.06471	4.1
133.10150	19.1
137.09601	4.6
139.79114	2.0
142.07846	3.9
147.08029	4.5
147.11707	28.9
149.09662	10.6
151.11090	2.8
157.10132	24.6
165.12741	6.7
175.11209	28.7
181.87759	2.0
193.12267	89.8
211.13306	60.9
243.17819	2.3
285.16965	57.0
285.21683	2.4
305.27380	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01868	5.0
55.05513	29.4
57.03438	59.3
57.07085	1.8
67.05184	3.0
67.05512	39.6
69.03415	6.7
69.07068	12.9
70.01408	3.3
70.01800	5.1
71.04993	11.3
74.32194	1.7
79.05498	37.8
81.03422	97.0
81.07060	48.1
83.04980	19.8
83.08163	2.7
83.08627	39.0
85.02909	91.7
91.05486	52.6
93.07050	27.8
95.04978	42.0
95.08611	22.1
97.02879	5.5
97.06525	6.8
97.10153	6.5
105.07034	32.2
107.04942	6.4
107.08598	10.3
109.06516	8.5
109.10143	5.2
111.04449	4.0
111.08076	21.4
113.06002	9.2
117.07061	2.8
119.07816	2.5
119.08595	28.2
121.06522	2.7
121.10145	15.9
123.08065	4.9
123.11716	5.0
129.07019	18.0
131.08574	17.8
133.06480	4.0
133.10100	14.8
137.09581	2.4
142.07779	5.0
145.10045	2.1
147.07968	4.2
147.11687	24.1
149.09587	7.9
157.10143	25.5
165.12793	7.1
175.11189	22.1
193.12257	100.0
211.13287	78.7
219.66032	1.8
285.16953	57.9
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	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.14838	2.2
55.01870	3.6
55.05514	27.5
57.03439	46.8
59.04985	2.7
67.05510	38.4
69.03426	5.9
69.07050	9.6
69.90562	10.8
71.04983	12.1
79.05494	39.3
81.03420	87.5
81.06602	2.8
81.07055	53.3
83.04996	18.1
83.08622	40.1
83.09116	3.1
85.02907	100.0
91.05481	47.1
93.07047	28.8
94.50099	2.2
95.04969	45.1
95.08604	20.2
97.02876	4.4
97.06506	5.4
97.10191	2.9
98.21420	3.9
99.08107	2.6
105.07032	41.3
107.04948	4.3
107.08594	10.2
109.06499	6.0
109.10126	4.9
111.04450	5.1
111.08089	18.8
113.05996	9.8
115.05461	3.9
119.08595	30.8
121.10126	18.1
123.08064	3.9
123.11698	4.5
125.09645	3.6
129.06990	14.5
131.08583	15.3
133.06494	2.8
133.10121	16.6
142.07748	3.3
147.08060	3.6
147.11700	29.1
149.09578	8.7
149.10733	2.1
153.45052	2.3
157.10136	25.0
163.85767	1.9
165.12749	6.3
175.11192	30.0
193.12253	95.9
197.60315	2.4
211.13280	63.4
285.16940	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01858	5.8
55.05271	2.3
55.05514	31.8
56.82217	1.7
57.03442	56.4
57.07072	2.3
59.38023	1.8
67.05508	44.3
69.03419	7.5
69.07071	13.7
71.04996	15.0
79.05082	2.5
79.05500	35.9
80.17501	1.6
81.03423	93.9
81.06596	3.5
81.07059	52.2
83.04985	20.4
83.08154	2.9
83.08623	37.4
85.02911	89.5
85.06544	4.1
91.05488	53.1
93.07041	29.2
95.04974	44.6
95.08602	24.7
97.02879	4.4
97.06537	6.3
97.10158	5.3
98.20747	4.2
105.07040	35.5
107.04987	8.4
107.08612	17.2
109.06517	7.1
109.10159	7.7
111.04454	2.9
111.07510	1.7
111.08096	21.1
112.99907	1.7
113.05984	8.0
115.05441	2.8
117.07022	2.4
119.08587	34.6
121.06507	2.1
121.10155	20.3
123.08060	5.8
123.11710	5.3
123.87971	1.7
129.07007	14.5
131.08566	17.9
133.06465	4.9
133.10129	15.4
135.11711	2.5
137.09616	4.8
142.07819	4.8
145.10127	4.7
147.08022	2.8
147.11693	24.4
149.09656	8.7
157.00325	1.9
157.10123	18.5
161.13219	2.2
165.12767	5.7
175.11185	32.0
175.14850	3.0
177.16356	3.2
189.16345	2.0
193.12253	100.0
204.22243	2.0
211.13303	69.2
211.15315	3.7
239.17938	2.1
285.16940	57.3
285.21933	3.1
285.25671	10.1
304.54657	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
53.92196	1.6
55.01872	5.1
55.05515	27.5
57.03439	49.0
58.81337	2.0
63.04572	1.6
67.05185	3.2
67.05509	40.7
68.88028	1.7
69.03418	6.6
69.07067	10.6
69.32851	14.6
71.04992	11.8
79.05499	35.3
81.03423	87.1
81.07063	48.7
83.04987	20.3
83.08619	32.1
85.02909	92.0
85.06541	2.3
91.05486	42.7
93.07043	31.7
95.04975	41.2
95.08611	17.8
97.02898	5.7
97.06536	5.7
97.10180	4.3
105.07034	30.2
107.04942	5.1
107.08601	12.8
109.06509	6.2
109.10148	5.7
111.04436	5.6
111.08085	22.1
113.06007	7.5
117.07001	3.1
118.46782	1.6
119.07809	3.4
119.08580	34.7
121.06458	2.1
121.10141	19.8
123.08055	6.1
123.11728	3.9
127.07583	2.1
129.07005	15.4
131.08577	15.6
133.06503	3.2
133.10184	11.9
135.04391	6.9
137.09628	4.1
142.07785	2.7
145.10117	4.6
147.08063	4.6
147.11707	24.5
149.09639	8.4
151.11243	2.1
157.10150	19.6
165.12782	5.8
169.10114	4.9
175.11188	26.7
193.12245	100.0
195.53102	1.8
211.13301	73.9
229.14308	2.0
239.17924	3.6
285.16919	52.5
285.22144	4.8
285.25504	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
53.03932	0.8
55.01874	1.3
63.00038	1.7
67.05498	1.0
69.03403	0.8
69.68966	4.7
71.04994	0.8
79.05481	1.7
81.03394	1.5
81.07063	0.9
91.05473	1.7
93.07027	1.0
95.04970	4.7
98.98441	1.6
103.05456	1.4
105.07030	4.7
107.04935	2.7
109.06519	1.2
111.04413	0.9
115.05447	1.4
116.07076	0.9
119.08553	1.0
121.06488	1.1
123.04442	2.6
125.02343	1.3
127.03880	1.3
129.07018	1.8
131.04932	1.4
133.02907	1.3
133.06461	3.1
134.55144	1.0
135.04393	2.4
137.05937	4.3
146.03616	8.1
147.04451	1.1
147.08037	2.7
149.05986	1.6
151.03865	4.9
153.05571	1.1
153.07014	2.8
154.07748	2.7
157.06485	1.2
159.04369	1.1
161.05992	24.9
163.03886	3.3
165.05595	1.6
165.07014	32.0
175.07549	1.8
177.12538	0.8
178.07738	1.1
181.06480	5.4
182.07283	12.1
192.05688	1.4
193.06517	27.1
194.07237	3.6
197.09540	1.8
199.07497	1.3
205.98404	1.0
209.05960	2.0
210.06764	23.6
211.07536	2.6
221.06000	27.0
221.08031	2.3
222.06706	2.4
224.08357	1.0
225.09117	62.2
226.09526	1.0
227.07010	2.4
229.05011	1.1
237.05484	1.5
238.06308	9.0
239.07007	4.6
239.09087	1.7
241.08789	1.2
249.07748	1.0
253.08612	100.0
254.09358	5.2
255.06488	1.8
267.08612	1.3
267.11169	1.3
270.08850	6.4
285.04019	2.3
285.11206	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	6.3
57.03433	5.3
63.00041	4.6
67.05486	3.2
69.03423	3.3
69.07039	1.8
69.38445	11.7
70.06565	2.2
71.04982	3.6
75.04467	1.9
79.05478	8.3
81.03408	4.9
81.07065	2.5
91.05486	22.1
93.07063	3.5
95.04968	6.0
97.02901	2.5
98.20740	3.2
98.98470	2.7
99.04477	2.4
100.11255	2.8
103.05467	5.3
105.03398	2.9
105.07040	21.1
106.04167	2.7
107.04939	10.4
107.41243	1.8
109.06513	5.8
115.03880	1.9
115.05436	5.7
118.04185	3.8
119.04960	24.0
121.02861	1.8
121.06519	9.3
123.04440	3.2
123.08041	2.5
125.06001	2.2
133.06499	20.4
134.03630	5.6
135.04373	8.3
136.05167	5.0
137.02316	3.7
137.05998	5.5
138.05525	2.2
140.04709	11.7
143.06071	2.4
144.08083	6.3
146.03653	2.1
147.04391	8.3
149.05978	15.2
151.07556	13.9
152.04643	3.1
153.05470	100.0
153.09062	2.1
154.06367	2.1
154.07748	1.7
161.05981	38.0
161.07268	2.5
163.03955	3.7
165.05637	2.6
165.06946	9.4
167.07060	19.1
168.07829	72.4
169.07602	2.2
178.06161	2.4
179.07088	9.4
181.06537	1.9
181.08652	5.4
193.06502	6.2
193.08611	24.6
196.05727	2.9
196.07314	71.2
202.09010	1.9
209.08084	6.4
209.10194	1.6
210.06767	6.8
211.09673	49.9
211.11351	1.7
212.07068	6.1
212.21132	1.7
213.10193	9.6
214.21782	1.8
220.05341	2.1
221.05991	9.7
224.09422	2.2
225.09061	10.7
237.10352	3.7
238.06343	2.7
239.03275	2.0
239.06882	1.8
241.09813	16.7
253.08600	21.7
257.04343	2.2
267.10181	2.1
285.04001	6.2
285.07623	8.3
285.12170	43.4
285.15295	9.7
285.24121	2.3
302.83301	2.1
303.04944	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	285.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.3
55.01859	3.1
55.05502	2.3
63.00054	1.7
67.05499	5.3
69.03422	4.2
71.01318	1.6
71.05001	3.0
79.05484	6.5
81.03402	6.5
81.07040	1.8
87.04433	1.9
89.03897	5.8
91.05466	7.9
92.79533	1.4
93.07028	3.1
95.04977	22.1
95.08620	2.8
95.37820	1.6
95.67844	1.4
97.02898	3.7
99.04423	2.2
103.05443	4.0
104.10957	1.5
105.07031	10.1
107.04935	7.3
108.08120	1.8
109.02871	1.8
109.06506	2.1
115.03924	1.9
115.05479	1.9
117.03352	5.2
117.07000	2.3
119.08553	4.3
120.08092	2.4
121.06490	4.8
123.04414	12.9
125.02334	7.3
128.06236	1.6
129.07013	7.8
131.04965	2.3
131.08554	1.8
133.02802	5.1
133.06479	6.0
135.04420	12.5
137.06007	3.4
138.09061	1.8
143.08672	1.7
145.02855	4.3
145.06509	2.4
146.03601	5.9
147.08051	9.1
149.05956	3.2
151.03909	24.4
151.07544	2.9
153.05444	7.2
153.06929	3.7
157.06467	4.9
159.04437	3.2
159.07945	1.7
161.02286	2.7
161.05968	19.8
163.02567	2.9
163.03906	48.3
165.06996	30.5
169.04962	4.2
175.07520	6.8
177.05437	1.8
179.07004	1.6
181.06487	4.3
182.07254	6.0
185.05934	2.9
187.57155	1.5
187.58777	1.7
190.70638	1.8
193.06517	24.9
193.08366	3.3
194.07301	2.4
197.04359	3.8
203.07048	5.6
210.06773	17.8
211.07492	3.6
221.06027	28.3
221.08066	5.2
222.06718	2.0
225.09113	49.8
227.07103	2.1
231.06450	1.8
238.06273	9.8
238.08238	1.8
239.06958	3.0
239.09174	4.7
249.07516	5.6
253.08621	100.0
254.09235	5.4
255.06560	1.7
267.08588	6.1
267.11319	2.3
270.08737	4.4
285.04068	2.5
285.11206	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0971
Annotation	globosumone C
Peak:m/z	Relative Intensity
51.02386	2.9
53.03947	7.6
55.01872	6.9
55.05517	2.5
57.03436	1.9
65.03932	2.3
67.05516	12.5
69.03431	8.9
71.01347	1.8
71.04993	5.6
71.49203	2.5
73.02905	1.9
77.03945	3.1
79.05497	21.0
81.03429	16.8
81.07055	7.5
83.01337	2.0
83.04997	2.9
85.02884	2.7
86.38535	1.6
87.04489	5.0
88.01202	1.5
91.05492	28.2
93.07025	7.9
95.04977	73.8
95.08614	6.6
97.02907	7.1
99.04477	5.4
100.11244	3.0
103.05487	8.4
105.03388	8.0
105.07038	37.9
107.04981	18.1
107.08596	3.8
109.02898	6.5
109.06562	8.0
115.05492	5.9
117.07005	9.3
119.04942	2.9
119.08595	19.1
120.08072	2.5
121.06517	10.3
123.04443	42.5
123.08066	4.1
125.02369	24.0
125.06075	2.8
127.03939	6.0
128.06224	8.8
129.07027	31.3
130.05026	1.7
131.04953	6.6
131.08580	6.3
132.05780	2.8
133.02861	17.9
133.06500	30.5
135.04419	9.4
135.08075	2.1
137.05928	4.1
140.44791	1.7
141.05493	1.9
145.06512	7.7
147.04472	2.6
147.08055	42.3
149.05977	10.6
151.03914	100.0
151.07536	8.6
153.05495	18.1
156.08444	2.0
157.06508	17.3
159.04399	16.6
161.02368	7.3
161.05972	13.1
163.07562	2.1
165.07045	5.5
165.09174	2.7
169.05025	16.9
173.06104	1.7
175.03954	2.3
175.07545	33.0
177.05504	14.6
177.09024	2.1
179.03485	4.3
179.07071	4.3
185.05917	12.9
187.07590	2.6
193.06670	3.6
193.08640	9.8
197.04485	12.7
197.08093	3.5
199.99591	1.7
203.07030	34.3
210.06775	1.9
213.05469	4.1
215.05600	2.2
221.06091	2.9
221.08104	36.0
225.09166	5.0
231.06599	7.1
239.07008	2.8
239.09137	22.3
249.07654	22.1
253.08736	8.6
253.12685	6.2
261.52640	1.9
267.08704	23.8
267.11346	2.8
285.07272	3.1
285.09836	2.6
285.12225	5.9
285.15250	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14541	0.4
53.03944	0.5
55.05513	0.9
56.05016	1.2
59.04988	0.6
61.01165	0.4
65.03932	0.7
67.05508	3.2
68.05021	0.8
69.03422	0.5
69.07062	1.2
70.06580	1.5
71.22286	0.7
74.02438	0.9
79.05508	2.3
80.05019	3.0
81.03419	8.3
81.07041	1.3
82.06581	2.5
83.04955	1.2
84.04498	1.3
84.08148	0.6
85.02895	0.5
85.06538	1.4
86.06068	0.6
87.04472	0.5
91.05457	0.9
93.05773	0.7
93.07044	1.4
94.06567	1.5
95.04973	0.9
95.08613	2.8
96.04475	0.7
97.06549	1.0
105.07030	0.8
106.06551	0.7
107.04941	0.5
107.08609	0.7
108.08104	1.8
109.06481	0.6
110.06027	1.0
111.08105	0.6
113.05994	2.8
118.06491	0.8
120.04466	5.1
120.08089	2.6
121.02841	0.8
121.06512	0.5
121.08728	0.5
122.03211	0.5
122.06051	0.5
122.09629	0.5
123.08039	0.8
124.07588	0.4
125.06000	0.5
126.09147	1.7
128.07057	0.8
130.05008	1.5
133.03217	0.6
134.09679	1.2
136.07587	5.2
138.05501	23.9
138.09097	1.8
140.07010	0.6
148.07547	0.6
151.07628	0.5
152.10739	0.5
153.05516	0.6
154.08647	0.7
156.06596	2.0
162.09177	1.0
164.07072	1.6
164.10645	0.4
165.06966	0.5
166.08630	1.0
173.25314	0.4
180.06583	0.8
180.10196	2.3
182.08138	29.4
194.08160	0.4
196.09740	2.3
198.11240	0.5
206.02525	0.5
208.09740	3.0
210.11278	1.2
213.53047	0.4
224.12808	3.2
226.10774	0.8
234.94830	0.4
238.05542	0.5
240.12325	2.0
241.09982	0.6
252.12204	3.3
253.08510	1.0
266.13800	0.5
284.14932	100.0
284.29437	1.3
285.12057	1.9
285.15283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1496
Annotation	Peltigerine
Peak:m/z	Relative Intensity
53.03959	1.8
55.05511	1.8
56.05033	3.0
58.06595	0.9
61.01146	1.3
67.05515	6.2
69.03422	1.8
69.07078	1.5
70.06591	3.2
70.33350	0.8
71.04990	2.8
71.49646	1.4
72.54568	0.7
79.05490	5.3
80.05022	3.5
81.03425	9.6
81.07082	4.3
82.06595	3.0
83.04998	1.1
84.04515	3.8
85.02918	1.8
85.06544	1.4
86.06072	1.8
87.04477	1.2
90.02234	0.8
90.04514	0.8
91.05487	4.6
93.05811	1.1
93.07051	5.5
94.06560	2.9
95.04977	8.5
95.08617	6.5
96.08138	1.2
97.02901	2.3
97.06549	1.9
97.67508	0.7
99.04469	2.3
100.07624	1.2
103.05509	1.1
105.07040	3.4
106.06564	3.0
107.04977	1.6
108.04487	1.1
108.08144	6.0
109.02875	1.4
109.06529	1.3
110.06062	1.8
111.65527	0.8
113.06030	2.4
113.06821	0.9
115.11835	0.8
115.18840	0.7
117.07067	1.5
119.04949	3.7
119.08577	1.1
120.08131	14.2
121.06557	1.7
121.08931	1.0
122.06051	1.1
122.09698	1.9
123.04483	4.7
123.08080	3.0
125.02364	0.8
126.09163	1.7
129.07019	1.4
130.05028	5.7
133.02971	1.5
133.06502	1.7
134.06032	1.4
134.09618	4.1
136.07617	4.7
136.11247	1.1
137.06009	2.0
138.05530	3.8
138.09175	2.7
140.07118	1.3
147.04445	2.7
147.08067	3.0
148.07549	1.0
150.09154	2.9
151.03908	6.0
151.07573	1.6
152.07098	2.8
154.08656	0.9
156.06599	2.4
157.06444	0.9
161.05995	1.3
161.16368	0.8
162.09174	6.2
164.07100	2.1
164.10721	1.4
165.05515	1.4
166.08669	2.5
175.07570	2.1
177.05457	1.1
178.08646	6.5
178.12260	1.7
179.09462	1.0
180.06586	6.5
180.10300	2.6
182.08163	11.4
184.05992	1.0
190.08659	3.3
194.08246	1.1
195.08919	1.4
196.09760	1.7
203.07031	1.3
206.08189	9.0
206.11723	1.0
208.09709	32.9
208.11678	1.7
209.10428	2.2
210.11250	3.9
218.08182	2.3
221.08134	1.5
224.12816	7.7
226.10770	2.2
239.09230	2.2
240.12370	1.9
249.07581	1.2
252.12338	82.2
253.08809	1.2
253.12613	1.0
266.10828	1.1
267.08704	1.4
284.14993	100.0
284.29312	1.9
285.15250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29520	0.6
56.96555	1.3
69.03393	0.7
69.58809	3.1
69.59216	1.3
81.81925	0.6
85.02887	1.0
92.71000	0.6
92.71603	0.6
95.20097	0.6
98.97594	4.3
101.00891	4.7
107.04949	1.0
116.98627	1.4
119.01939	4.8
120.08144	0.8
135.03018	0.9
135.04388	0.8
138.04613	0.8
140.98830	1.9
143.01915	1.2
145.02798	0.8
145.60719	0.6
147.04439	0.7
152.05667	7.5
155.05447	0.8
156.05688	2.0
158.99895	3.2
163.03893	3.9
173.06593	0.7
177.00943	9.1
182.99838	1.3
192.10216	0.9
198.06827	1.0
199.65298	0.6
201.00879	3.5
216.07700	0.8
217.04114	2.3
218.49130	0.6
219.02011	15.7
224.04738	0.7
224.98753	0.6
225.01022	2.6
242.05788	1.7
243.01982	13.5
261.03070	100.0
262.03299	3.3
279.00690	2.5
284.00223	1.4
284.04294	1.4
284.06906	2.0
286.43625	0.6
297.44077	0.6
302.00940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01856	6.2
56.05029	4.1
65.03931	3.4
65.29937	2.2
67.05502	14.1
68.05032	9.9
69.03429	2.7
69.07057	2.5
69.43002	1.8
70.06601	23.8
70.67258	3.3
70.67609	4.1
74.02440	67.3
79.05492	18.2
80.05013	42.3
81.03391	6.2
81.07051	9.3
82.06590	2.8
83.04967	2.4
84.04486	6.6
85.02923	3.6
91.05488	22.3
93.05762	2.1
93.07059	9.6
94.06586	11.2
95.04968	75.8
95.05575	4.3
95.07331	2.2
95.08605	10.4
96.04523	3.3
96.08117	2.8
97.02901	6.2
97.06502	3.8
98.06028	3.2
103.05422	2.6
103.13337	1.9
105.03401	2.8
105.04501	3.9
105.07019	16.9
106.06557	11.7
107.04963	35.4
107.07297	2.4
107.08583	2.7
108.08087	6.6
109.02883	6.6
109.06522	18.5
109.27625	1.7
110.06067	2.9
110.93403	1.8
112.07574	2.2
114.05512	4.5
115.05398	3.2
117.05785	2.2
117.07017	4.4
118.06539	3.0
119.04884	2.3
119.08574	9.6
120.08115	31.7
121.02840	3.7
121.06496	12.4
121.10132	2.4
122.06021	16.3
122.09673	9.0
123.04446	31.7
123.06782	4.8
123.08064	5.8
124.07565	7.0
125.02345	15.6
125.05979	4.3
126.05515	60.9
128.06248	2.1
129.06996	16.0
130.04961	3.5
130.56754	2.5
131.04921	6.8
131.07440	2.0
131.08562	9.2
132.08090	5.5
133.02884	5.8
133.06479	7.0
134.05934	3.1
134.09636	7.5
135.04417	9.9
136.07571	6.5
136.11179	7.3
138.09161	7.7
140.07114	2.6
140.10684	5.6
141.05466	8.8
145.06465	3.8
146.06116	2.3
146.09634	5.9
147.08064	18.1
148.07549	8.6
148.11157	4.3
149.05956	8.5
149.09618	5.5
150.05531	19.9
150.09128	6.8
151.03900	100.0
151.07584	3.6
152.07056	14.2
153.05415	13.3
156.08043	3.0
157.06462	5.0
158.09567	2.5
159.04378	3.9
162.09172	10.8
163.03943	3.9
164.07022	6.4
164.10722	21.2
165.09081	3.3
166.08629	14.9
168.06606	5.1
169.05019	3.3
174.09131	9.7
175.07549	12.1
175.18791	1.9
176.10678	3.5
177.05464	9.0
177.09109	7.9
178.08638	10.1
179.06964	2.5
180.06615	4.0
180.10213	15.2
182.08095	6.3
184.07553	3.1
184.09653	2.6
185.05980	4.4
190.08603	2.2
191.06908	4.0
192.10199	42.0
193.08620	9.5
194.11742	7.7
195.06529	17.8
196.06024	13.4
202.08623	17.0
203.07124	4.6
206.08177	3.0
206.11752	4.0
208.09694	73.9
209.08083	3.2
210.11253	70.2
211.09688	5.9
213.05670	2.2
213.07622	7.6
214.07063	3.7
214.63141	1.9
220.09691	44.6
221.07945	3.8
222.11327	11.0
224.09157	2.1
224.12906	2.3
226.05429	3.4
226.10721	53.3
231.06532	2.8
234.11211	6.6
238.10744	73.5
240.08690	6.0
240.12318	6.1
248.09169	18.5
252.12323	30.0
266.10223	51.0
266.13803	17.3
284.06396	4.4
284.11255	39.3
284.14880	72.6
284.29480	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	283.2057
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03937	3.8
55.01875	14.0
55.05515	25.8
57.03440	19.4
57.07056	5.8
59.04997	2.8
67.05187	2.1
67.05507	28.9
69.03416	8.2
69.07072	17.9
70.08472	3.5
70.08863	4.8
71.05000	11.4
77.03954	2.7
79.05498	28.4
81.03427	11.5
81.07059	43.5
83.01321	7.1
83.04559	2.3
83.04992	24.2
83.08620	14.0
85.02898	3.6
85.06538	2.5
89.06014	7.5
90.57456	1.7
91.05486	29.7
93.07054	45.6
95.04984	16.6
95.08613	26.3
97.06536	13.8
99.04444	2.2
103.05452	3.3
105.07034	53.5
107.04945	8.1
107.08601	35.6
109.06518	14.2
109.10162	18.8
111.04443	8.1
111.08065	6.1
115.05466	2.7
117.07040	15.1
119.08588	40.4
121.06502	8.3
121.10149	93.2
121.11034	4.7
123.08056	10.4
123.11686	6.3
125.06030	2.3
125.09657	4.2
128.06227	3.3
129.06996	8.1
130.07777	4.8
131.08569	28.9
133.06519	2.4
133.07578	3.2
133.08562	2.7
133.10135	23.8
135.08046	10.0
135.11691	22.9
137.09563	2.2
142.07741	6.1
143.08578	18.5
144.09312	3.0
145.10133	53.5
146.07286	2.3
147.08043	6.3
147.11681	10.3
149.09596	2.5
151.11118	2.1
153.12738	11.7
155.08528	5.9
156.09328	5.9
157.10133	17.4
158.10883	6.8
159.08040	4.3
159.11676	16.0
161.09644	25.1
161.13226	4.1
163.11176	31.9
169.10136	7.5
170.10942	1.7
171.11667	12.4
173.09601	9.8
173.13268	46.8
175.11229	4.9
175.14827	6.8
179.08553	5.4
181.10138	4.8
181.12193	10.8
183.11719	7.1
185.09608	4.2
185.13174	10.3
187.11226	3.5
187.14804	7.6
189.12704	3.5
191.10716	5.1
193.10052	2.4
194.10948	3.2
195.11705	9.4
197.13269	5.9
199.11198	3.7
199.14839	6.4
201.12640	2.0
201.16356	3.4
207.11688	2.7
209.11659	6.2
209.13451	10.5
211.14754	1.9
213.12750	4.9
213.16431	3.2
223.14774	7.3
225.16414	3.7
227.12715	7.5
227.14389	6.0
239.17885	2.7
255.21129	6.2
265.19620	20.5
283.06354	2.0
283.15555	29.2
283.20541	100.0
284.29465	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	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
52.09917	1.4
53.03935	4.3
53.10236	1.4
55.01872	10.9
55.05265	2.2
55.05509	22.8
57.03446	12.6
57.07052	4.7
59.04993	3.8
65.03938	1.8
65.16609	1.4
67.05506	27.0
67.37562	1.4
67.56874	1.3
68.00780	1.4
69.03419	7.0
69.07072	16.1
69.69252	1.5
71.04982	8.9
71.40926	1.6
79.05499	29.1
81.03409	8.8
81.07062	38.0
82.32328	1.4
83.01353	8.3
83.04988	15.2
83.08620	12.0
84.89244	1.6
85.02892	1.7
85.06530	1.8
89.06005	2.6
91.05488	25.9
93.07047	43.3
95.04968	12.3
95.08612	24.3
97.02897	2.2
97.06546	9.8
100.07589	1.8
103.05477	2.4
105.06306	2.7
105.07033	51.5
107.04947	6.6
107.08590	34.3
109.06510	12.3
109.10161	20.7
111.04430	4.1
111.08049	3.2
115.05443	3.0
117.07015	12.9
119.04909	1.7
119.07720	1.5
119.08592	40.8
121.06525	11.6
121.10146	60.2
123.08077	10.0
123.11676	7.9
125.09649	1.7
128.06206	3.5
129.06996	5.3
130.07750	4.3
131.08563	30.5
131.09534	2.3
133.10133	23.0
135.08069	10.8
135.11691	20.8
137.09608	4.3
142.07759	6.5
143.08563	19.5
144.09357	2.6
145.10123	40.3
146.07249	2.4
147.08046	5.2
147.11682	10.5
149.09656	3.7
149.13234	2.7
153.12750	5.6
155.08546	7.5
156.09334	4.6
157.10149	20.9
158.10886	7.1
159.08047	4.8
159.11700	12.3
161.09634	19.8
161.13263	7.3
163.11188	25.8
164.11601	1.7
165.06984	3.4
167.08539	4.6
168.09335	3.3
169.10143	7.8
170.10915	3.6
171.11723	14.4
172.08838	2.3
173.09607	6.7
173.13261	52.8
175.11145	5.8
175.14806	8.2
179.08565	4.7
180.09401	3.8
181.10100	6.3
181.12227	5.2
183.11708	10.8
184.12357	1.6
185.09636	2.5
185.13269	12.9
187.11189	3.7
187.14864	5.8
189.12685	3.1
191.10654	3.9
191.14375	3.1
192.80588	1.5
193.10149	3.3
194.10881	8.0
195.11703	9.4
196.12445	1.9
197.13242	7.0
199.11206	4.6
199.14830	8.1
201.12828	2.6
201.16324	3.0
207.11688	2.9
208.12459	5.4
209.11618	6.1
209.13277	18.7
210.14044	2.0
211.14801	3.6
213.12779	5.7
213.16377	4.0
223.14806	12.9
225.16359	8.8
227.12448	3.3
227.13220	2.5
227.14536	11.4
235.14842	2.9
237.16335	2.4
239.17690	1.9
241.15854	2.4
250.17053	2.6
250.94135	1.7
252.81056	1.8
255.21214	10.4
265.19510	37.7
283.15640	22.1
283.20554	100.0
283.28351	2.4
284.20810	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01873	22.5
55.05513	42.4
57.03440	38.2
57.07083	3.1
59.04998	3.6
67.05509	32.0
69.03435	3.2
69.07063	11.0
71.04984	8.2
78.81458	1.9
79.05495	49.2
81.03425	19.4
81.07060	49.4
83.01337	14.9
83.04980	27.6
83.08624	27.6
85.02880	4.8
85.06544	3.4
86.31602	1.8
89.01015	1.8
89.06030	3.9
91.05479	30.7
93.07050	74.8
93.07638	3.8
95.04961	14.5
95.08612	48.6
97.02887	6.8
97.06536	9.5
97.10168	3.1
98.21541	5.7
99.04453	7.2
105.07030	28.6
107.04958	21.8
107.08591	47.8
109.06499	9.4
109.10149	8.0
111.04463	9.6
111.08098	3.7
117.07014	16.9
119.08581	31.9
121.06539	10.3
121.10151	35.8
123.08092	13.0
125.05997	6.7
129.07048	4.0
130.07813	3.9
131.08554	5.4
133.10135	10.0
135.08012	4.9
135.11696	65.5
138.45094	2.0
143.08614	2.6
145.10124	50.7
147.08084	4.0
147.11684	7.6
153.12741	7.4
155.08517	4.4
157.10109	2.4
163.11183	100.0
173.09630	8.9
175.11172	2.9
181.12250	25.5
191.10666	9.0
194.10661	2.4
209.11699	12.8
218.43246	2.0
227.10532	4.2
227.12782	83.5
283.15161	53.4
283.20645	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03947	5.9
55.01875	44.3
55.05513	70.3
57.03162	4.3
57.03437	69.2
57.07069	4.8
59.05001	13.0
61.33768	2.6
67.05505	46.0
69.07056	11.1
70.82388	6.9
71.01339	5.9
71.04994	14.8
79.05493	62.0
81.02988	3.9
81.03419	32.2
81.07063	58.9
83.01343	44.3
83.04986	39.4
83.08620	43.1
85.02877	10.5
89.06020	4.5
90.56373	2.7
91.05477	44.5
93.07045	83.6
95.04967	21.1
95.08601	22.4
97.02918	5.9
97.06521	12.3
97.10163	5.2
99.04436	5.4
103.05441	4.5
105.07038	28.9
107.04968	23.7
107.08595	33.3
109.06507	21.2
109.10144	6.6
111.04426	10.2
111.08128	5.5
117.07034	22.0
117.10766	2.4
119.08585	23.3
121.06438	5.8
121.10133	29.8
123.08068	35.2
125.06013	6.1
125.09641	4.0
127.26040	2.8
129.06998	2.8
131.08549	9.4
133.10127	3.8
135.08119	5.9
135.11705	44.1
137.09624	6.8
145.06560	4.5
145.10123	56.8
147.08028	8.5
153.12740	10.1
155.08539	5.3
163.11183	97.0
173.09618	14.5
181.12241	18.0
189.50505	2.9
191.10670	11.3
204.59077	3.4
209.11739	26.5
227.12721	10.8
242.62408	2.7
283.15408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.7
55.01877	41.2
55.05517	76.8
57.03443	59.1
59.04987	11.5
60.81893	2.5
67.05182	3.5
67.05511	48.4
69.07056	12.1
70.10349	10.9
71.01360	3.1
71.05016	15.1
71.05356	3.6
79.05499	67.8
81.03423	37.8
81.07063	55.0
83.01351	41.5
83.04988	50.7
83.08620	38.6
85.02908	13.9
85.06533	3.8
91.05484	40.2
93.07050	88.5
93.07642	4.6
95.04964	18.4
95.08175	2.4
95.08614	27.1
97.02886	5.1
97.06533	20.5
97.10162	6.3
99.04446	10.9
103.05443	3.6
105.07034	24.7
107.04961	28.1
107.08606	38.7
109.06514	19.5
109.10166	7.5
111.04436	14.5
111.08065	8.7
113.06038	3.5
117.07034	24.8
119.07930	2.9
119.08600	27.8
121.06503	13.7
121.10132	28.7
123.08074	26.6
125.06004	7.0
125.09638	4.0
129.07028	5.1
130.07784	5.6
131.08604	14.1
133.10141	6.0
135.11702	45.1
137.09624	5.5
143.08527	4.1
145.06462	3.2
145.09074	4.5
145.10132	53.6
147.08043	5.7
153.12770	15.4
163.11182	100.0
173.09605	14.5
181.12273	20.6
191.10681	14.6
209.11743	25.4
227.12727	18.9
262.77435	2.5
283.15405	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.88817	4.7
53.03942	7.3
54.48376	3.8
55.01875	47.1
55.05512	79.1
55.33028	3.7
57.03440	73.4
57.07075	7.0
59.05000	16.2
59.85236	4.1
60.10621	4.1
67.05505	54.4
69.07063	15.4
69.24448	39.6
71.05002	17.6
79.05494	73.0
81.03420	36.9
81.07060	58.8
83.01331	37.7
83.04986	51.0
83.08622	49.0
85.02898	10.6
89.06049	10.3
91.05482	41.1
93.07050	90.7
93.07639	5.3
95.04967	27.1
95.08594	22.6
97.02888	7.3
97.06554	14.1
97.10168	8.3
98.20784	6.0
99.04482	7.3
105.07037	37.2
107.04945	26.1
107.08609	46.1
109.06532	24.5
109.10148	6.7
111.04465	12.6
111.08099	4.6
117.07005	21.2
119.08589	31.0
121.06532	9.9
121.10127	23.6
123.08074	29.6
124.75151	4.7
125.05989	9.1
130.07774	5.4
131.08572	11.1
133.08632	5.8
133.10100	4.5
135.08064	4.7
135.11690	55.4
137.09579	5.7
145.06540	5.2
145.10127	63.8
147.08070	7.6
153.12752	14.7
155.08569	6.5
163.11185	99.1
173.09641	12.0
181.12267	20.7
191.10617	10.2
209.11792	34.2
227.12776	19.0
283.12402	8.0
283.15402	100.0
283.22623	7.4
284.29590	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	10.2
55.01631	3.3
55.01875	49.1
55.05515	75.6
57.03442	62.0
57.07063	4.1
59.04999	13.5
62.00623	2.7
65.03931	2.8
67.05508	45.5
69.03445	3.5
69.07072	15.0
70.48643	2.4
71.01347	3.3
71.04996	12.8
72.71189	2.2
77.03934	3.1
79.05498	70.1
81.03420	34.4
81.06595	4.2
81.07061	57.6
83.01344	43.8
83.04983	52.7
83.08159	3.2
83.08620	47.5
85.02905	13.1
85.06554	2.6
91.05489	46.7
93.07046	88.0
93.07639	4.4
95.04968	22.8
95.08610	26.6
97.02896	7.5
97.06531	12.1
97.10114	4.4
99.04443	8.9
105.07034	33.2
107.04964	30.5
107.08590	44.0
109.06508	22.9
109.10155	9.8
111.04430	14.5
111.08083	8.4
115.05443	4.6
117.07005	19.7
119.08584	30.3
121.06504	15.0
121.10147	25.2
123.07320	3.1
123.08087	29.7
125.05956	8.3
125.09671	6.0
129.07004	3.2
130.07777	6.5
131.08575	15.7
133.10121	6.0
135.08040	5.4
135.11699	49.9
137.09618	4.7
142.72858	2.6
145.06570	3.8
145.09079	4.0
145.10133	59.3
147.08032	8.0
149.09592	4.3
153.12782	17.8
155.08524	3.9
163.11198	100.0
163.12564	5.6
165.09142	2.8
173.09628	15.4
181.12251	19.3
191.10663	13.3
209.11748	32.2
209.66499	2.7
227.12825	14.1
228.98500	2.9
283.15402	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03938	4.5
55.01876	38.3
55.05515	63.2
57.03437	53.3
57.07080	3.3
58.00057	2.5
59.04993	10.1
59.06183	3.1
67.05187	4.4
67.05511	55.0
69.03421	3.7
69.07078	16.1
69.93790	8.5
71.01339	3.2
71.04984	12.4
77.03899	2.8
79.05497	64.2
81.03424	33.6
81.07063	59.4
83.01340	33.0
83.04981	56.9
83.08607	26.7
85.02904	14.9
85.06537	5.7
89.06039	3.0
91.05488	46.1
93.06490	5.7
93.07044	73.7
95.04971	15.9
95.08617	20.9
96.24612	3.0
97.02883	7.9
97.06543	21.2
97.10131	6.1
99.04458	10.3
105.07029	30.4
107.04962	28.7
107.08602	41.5
109.01913	2.6
109.06503	19.1
109.10136	11.5
111.04458	35.0
111.08052	11.9
117.07015	22.6
119.08580	24.4
121.06502	11.4
121.10153	30.6
123.08082	22.4
125.05976	4.1
125.09640	4.9
129.06960	7.9
130.07791	3.1
131.08539	12.9
133.10168	7.5
135.08017	5.8
135.11700	51.4
137.09615	4.9
143.08554	5.9
145.06436	4.0
145.08926	2.9
145.10132	56.0
147.08054	8.6
149.09587	5.6
153.12733	20.7
155.08556	7.2
163.09872	5.9
163.11189	93.7
166.46368	2.7
173.09599	16.2
181.12239	30.6
191.10703	19.4
209.11731	30.4
227.12738	18.0
283.15384	100.0
283.20020	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03931	9.7
54.03180	2.1
55.01874	45.9
55.05514	62.9
57.03439	59.1
57.07068	2.8
59.05007	10.7
65.03935	3.1
67.05508	44.6
69.03414	3.3
69.07074	13.1
70.62199	3.2
70.62538	4.3
70.67102	2.4
71.05002	12.4
79.05080	3.7
79.05498	57.6
80.47322	2.1
81.03426	35.3
81.06592	4.1
81.07055	61.2
83.01347	36.0
83.04984	51.4
83.08153	3.2
83.08620	41.1
85.02907	11.4
85.06550	3.0
91.05487	46.3
93.07047	83.1
95.04971	24.4
95.08614	24.4
97.02885	7.8
97.06543	15.4
97.10183	5.2
99.04457	7.4
101.95176	2.2
105.04485	2.4
105.07039	31.8
107.04956	25.8
107.08606	42.5
109.06512	23.8
109.10147	8.8
111.04462	14.7
111.08060	5.5
115.05547	2.4
117.07018	21.3
117.76337	2.3
119.08583	27.5
121.06567	11.0
121.10134	27.9
123.04454	3.6
123.08077	28.1
125.05964	6.3
125.09593	3.0
128.06224	2.5
129.07001	3.6
130.07774	6.0
131.08571	13.4
133.10143	7.8
135.08031	7.3
135.11694	44.3
137.09631	5.5
139.07565	2.4
143.08559	3.5
145.09067	3.8
145.10135	55.7
147.08018	6.7
149.09569	5.0
153.12758	18.3
155.08563	4.2
163.11189	90.4
163.12561	4.7
173.09647	11.2
181.12241	16.4
191.10727	11.7
209.11719	25.9
227.12773	13.8
283.06290	3.7
283.15399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.31348	2.8
53.03934	8.3
55.01873	47.3
55.05510	88.3
56.53164	2.8
56.71753	3.0
57.03161	4.6
57.03432	78.2
57.07077	4.4
59.04999	17.6
65.03955	3.8
67.05505	50.0
69.03434	7.6
69.07062	12.8
70.93439	5.7
70.93778	5.0
71.04984	12.6
79.05490	75.1
81.03413	40.1
81.07057	58.2
83.01339	43.4
83.04979	58.7
83.08613	43.4
85.02885	12.9
91.05465	47.0
93.07037	93.4
95.04985	23.4
95.08606	28.0
97.02869	7.8
97.06556	18.1
97.10154	6.2
99.04439	10.9
100.09647	3.0
103.05440	4.2
105.07027	39.4
107.04943	24.0
107.08595	40.1
109.06523	27.1
109.10136	9.5
111.04440	9.6
111.08064	6.5
111.11677	4.1
117.07008	26.5
119.08559	31.1
121.06509	11.1
121.10133	27.0
123.08065	36.8
125.05987	5.1
125.09607	6.6
128.06265	4.5
129.07039	7.4
130.07820	5.4
131.08549	11.2
133.10089	5.3
135.08078	8.9
135.11673	57.0
137.09621	7.7
145.10126	61.4
145.13002	3.4
147.08022	5.6
153.12738	16.7
155.08562	6.2
163.09874	7.1
163.11182	100.0
173.09639	17.5
181.12248	17.9
191.10609	18.6
195.42014	3.7
209.11714	30.0
227.12827	14.5
283.15399	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Hydroxysydonic acid
Peak:m/z	Relative Intensity
53.03946	0.7
55.01878	4.0
55.05512	2.1
57.03430	2.3
57.07079	2.4
59.05008	1.6
65.03945	2.1
67.05507	9.1
69.03044	0.8
69.03435	20.9
69.07076	100.0
71.01355	1.9
71.32622	1.4
78.47522	0.8
79.05497	3.9
81.03430	3.8
81.07063	21.0
83.04974	3.7
83.08617	1.4
85.02914	7.8
87.04502	0.8
91.05497	2.7
93.07047	3.7
95.04982	4.9
95.08628	6.2
97.02900	13.8
97.06525	1.1
99.04430	0.8
103.05517	1.0
105.07059	1.9
107.04961	1.0
107.08612	4.0
109.02901	1.3
109.06523	3.4
109.10174	5.2
111.04487	1.4
115.03938	6.0
117.07044	1.1
119.08604	1.7
121.02881	38.7
121.06557	0.9
121.10218	2.1
123.08067	1.0
123.11717	32.0
127.03989	0.8
131.04970	1.2
133.10167	1.9
133.74094	0.7
135.11751	1.9
138.04909	0.6
139.03946	2.9
145.10185	2.5
147.11713	0.8
148.03958	1.5
151.11198	50.6
161.09891	0.7
163.11267	2.7
177.07027	0.9
179.07034	0.7
182.09677	0.9
191.10681	1.2
195.08115	1.3
209.11737	1.6
222.29202	0.6
223.07593	1.6
227.12662	1.7
240.07899	1.3
265.07089	0.8
268.07321	1.2
283.09778	4.8
283.15314	6.4
283.20505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03932	6.1
55.01874	43.7
55.05513	76.1
57.03439	62.8
57.07066	7.7
59.04989	10.8
67.05508	41.5
69.03411	4.5
69.07070	14.1
71.04982	12.4
76.82296	2.6
79.05491	62.6
81.03421	34.5
81.07055	53.6
83.01344	44.4
83.04982	47.1
83.08624	39.5
85.02885	11.1
85.06513	5.1
89.06030	6.6
91.05480	37.0
93.07044	81.1
94.29600	2.7
95.04981	20.5
95.08615	25.6
96.60944	3.8
97.02898	6.6
97.06523	17.7
97.10155	6.1
99.04477	6.4
103.05436	5.3
105.07024	33.4
107.04958	25.9
107.08591	34.5
109.06521	21.3
109.10175	5.6
111.04449	8.6
111.08078	7.6
117.07007	20.9
119.08582	26.5
121.06520	10.2
121.10163	24.5
121.88814	2.8
123.08067	26.6
125.06009	4.5
125.09623	4.8
129.07022	4.5
130.07761	5.1
131.08553	7.9
133.08629	2.8
133.10101	7.5
135.08067	5.8
135.11682	47.7
137.09628	5.4
139.07530	3.8
142.84612	2.5
145.06500	3.4
145.10120	47.3
147.08058	4.7
153.12740	16.5
155.08601	4.9
163.11180	100.0
173.09630	12.5
181.12260	16.3
191.10672	9.2
209.11742	29.5
227.12817	12.9
283.15414	92.9
283.28323	5.5
284.29199	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	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03956	13.2
55.01884	8.1
65.03936	8.3
67.05515	11.9
67.97921	1.6
68.99799	1.7
69.03430	6.5
69.59355	6.0
69.59762	4.2
71.01340	2.0
71.04984	5.0
77.03920	3.3
79.05502	16.5
81.03419	5.3
81.07059	6.6
83.01363	2.3
87.04466	1.6
89.06033	30.8
91.05484	25.8
93.03389	2.8
93.07062	26.5
95.04975	100.0
95.08609	2.0
97.02908	12.1
97.06522	1.8
103.05472	18.0
105.03391	5.0
105.04537	5.7
105.07033	16.3
107.04963	34.9
107.08627	2.9
109.02894	5.2
109.06527	14.3
111.04433	3.6
115.05442	10.7
117.07024	27.0
118.98417	1.5
119.04973	2.6
119.08572	6.1
121.02883	26.2
121.06513	40.1
123.04431	34.6
123.08065	2.3
125.02362	60.4
128.06250	2.9
129.07001	8.2
131.04927	13.1
132.05684	2.3
133.06532	3.6
133.08626	10.2
135.04427	6.3
135.08070	8.3
139.03958	5.0
142.51535	1.6
145.06503	27.8
147.04390	4.0
147.08064	8.6
149.02364	30.5
149.05992	39.6
149.07144	2.9
151.03914	81.9
151.07469	2.7
153.05475	10.9
155.04927	2.8
155.06070	4.4
157.06477	3.4
159.04416	11.1
163.07570	18.0
165.01860	2.1
167.03412	7.2
167.07115	3.6
169.04956	4.9
169.06497	1.8
173.05998	27.2
175.04022	1.9
175.07556	8.4
177.05482	14.1
177.11256	2.0
183.04494	1.9
191.07045	30.2
191.08588	1.2
193.05006	1.9
193.08652	2.1
195.02968	5.8
195.06558	6.3
195.08141	1.8
201.05508	16.8
213.03867	8.0
219.06560	17.7
229.04999	3.2
237.07669	4.2
247.05984	9.2
255.06549	2.5
265.07077	12.0
283.05698	1.6
283.08157	12.6
283.17526	1.8
292.05215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
57.03431	3.2
57.70083	0.5
60.79692	0.5
68.60739	0.5
70.64983	0.9
70.65321	0.8
71.01351	1.4
85.02911	43.8
103.03951	0.8
110.06049	1.0
113.02386	2.3
118.06557	0.8
120.08108	92.7
121.08377	0.7
122.06025	1.0
131.03392	1.6
136.06207	1.6
145.34608	0.5
145.41522	0.5
146.09641	1.1
152.10713	35.5
160.07651	0.9
162.89082	0.5
178.12315	0.5
180.04878	0.5
190.08701	0.6
222.11137	0.9
231.26552	0.5
250.10744	4.7
264.12363	1.0
282.13373	100.0
283.13589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91511	9.1
57.78825	8.7
62.42023	8.0
63.18238	8.0
67.05523	15.7
69.03440	40.6
71.04994	10.5
71.48271	12.2
79.05475	26.5
81.03424	13.7
81.07055	16.1
81.57783	8.1
83.04967	13.7
84.49450	7.4
84.66422	8.0
87.04469	19.8
89.06021	11.5
91.05489	24.1
93.07034	10.1
93.49026	7.5
95.04955	21.3
97.02885	12.1
99.14601	7.5
105.07015	12.3
107.04960	20.8
109.06518	37.6
115.03952	10.7
119.73022	10.2
121.02900	40.7
135.04424	17.4
137.05899	9.5
140.64592	9.0
142.83047	9.3
148.45554	10.2
151.07518	18.7
181.06459	14.6
189.05272	25.2
195.08133	9.4
207.04489	15.9
207.06296	100.0
208.09822	9.5
209.05968	15.9
213.05806	22.7
221.07863	48.1
223.07681	9.0
226.45146	9.2
237.05470	20.2
237.09198	13.6
240.07794	10.7
241.05019	13.9
251.05258	10.4
253.10614	13.7
255.06490	16.5
265.06860	27.2
283.05984	22.3
283.09720	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	8.7
55.01863	5.6
55.05514	41.0
57.03440	29.9
58.95932	1.2
60.64402	1.1
65.03931	4.1
67.05505	86.8
69.03423	3.7
69.07067	16.9
69.32455	11.5
71.04996	3.4
71.72654	1.2
73.06552	3.1
77.03900	2.6
79.05495	100.0
81.03428	16.1
81.07058	70.5
83.04492	2.7
83.04980	35.5
83.08609	9.6
85.06530	4.6
91.05483	76.8
93.07046	72.7
95.04964	29.3
95.08605	41.3
97.02881	2.2
97.06555	6.8
97.10168	6.9
105.04533	2.9
105.07032	51.2
107.04967	10.6
107.08593	24.0
109.06529	6.6
109.10155	8.2
111.08074	1.6
117.07012	11.8
119.08581	28.7
121.06503	4.9
121.10155	6.4
123.08074	8.8
128.06248	2.8
129.07005	17.3
130.07816	1.5
131.08563	2.7
133.06488	2.4
133.10118	14.6
135.08066	1.8
135.11685	4.0
143.08563	10.6
145.10123	11.4
147.08038	3.7
147.11696	35.0
159.11732	1.6
161.09627	5.1
161.13268	15.8
171.11684	25.5
189.12762	8.7
207.13818	11.9
281.12924	1.6
281.17438	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	9.9
55.01861	4.7
55.05516	28.7
57.03439	24.8
65.03943	5.1
67.05513	82.5
69.03437	2.7
69.07083	17.8
71.05009	3.7
73.06544	2.1
79.05503	100.0
81.03429	15.1
81.07065	64.2
83.04990	29.4
83.08633	8.5
91.05491	70.1
93.07055	67.6
95.04977	24.6
95.08614	39.8
97.02909	3.1
97.06537	5.9
97.10185	4.4
105.07047	46.3
107.04958	11.4
107.08608	25.4
109.06521	9.4
109.10173	9.8
111.08121	2.3
117.07077	9.4
117.07768	1.8
119.08600	30.0
121.06511	4.1
121.10124	5.3
123.08085	6.7
128.06276	2.5
129.06996	20.3
131.08549	2.5
133.10162	15.6
135.11664	3.3
141.09174	2.2
143.08566	11.7
145.10118	11.4
147.08078	5.4
147.11711	39.9
156.09331	3.5
159.11707	2.3
161.09628	6.1
161.13272	17.6
163.11252	2.4
169.10072	2.7
171.11714	29.1
189.12778	8.8
194.27417	1.9
197.13264	2.0
207.13814	11.4
208.14813	2.0
221.10695	3.9
230.21295	1.9
281.12796	4.7
281.17303	35.6
283.03110	2.6
299.06107	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03949	11.4
55.01865	6.1
55.05278	2.5
55.05514	34.6
57.03441	31.0
57.07050	2.3
61.59085	1.6
65.03949	3.9
67.05508	75.9
69.03417	4.4
69.07068	16.1
69.50910	1.6
69.86097	7.5
71.04972	2.8
72.31316	1.6
73.06560	3.4
79.05495	100.0
81.03416	12.4
81.07059	62.3
83.04488	2.7
83.04982	35.3
83.08623	8.5
85.06532	4.1
89.04051	1.7
91.05486	71.0
93.07049	68.0
95.04979	25.0
95.08607	42.2
97.06527	6.5
97.10154	5.5
105.07032	48.0
107.04977	9.9
107.08596	23.8
109.06514	7.3
109.10126	7.3
111.08068	2.1
115.05475	1.9
117.07017	8.1
119.08584	25.9
121.06544	4.5
121.10133	4.9
123.04441	1.8
123.08062	8.4
127.07517	2.1
128.06203	4.1
129.07004	17.4
131.08562	3.5
133.06497	2.1
133.10138	13.6
135.11752	1.9
143.08618	8.8
144.08058	2.5
145.10159	11.3
147.07993	3.2
147.11687	36.0
149.71378	1.9
159.11574	1.7
161.09631	4.4
161.13278	14.3
161.78696	1.6
163.11127	1.9
171.11700	24.4
176.96156	1.8
189.12715	6.5
207.13771	11.6
221.74448	2.0
241.42397	1.6
260.39362	2.1
263.11728	1.9
281.08017	2.7
281.12476	4.8
281.17285	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02364	1.6
51.49463	1.5
52.82559	1.5
53.03953	7.9
55.01867	4.5
55.05284	2.1
55.05516	27.9
57.03443	26.9
57.07056	2.5
61.26639	1.6
65.03922	4.5
67.05508	76.4
69.07077	12.9
73.06539	4.3
79.05499	100.0
81.03428	14.2
81.06608	3.4
81.07063	58.2
83.04509	1.7
83.04981	28.9
83.08631	8.7
85.06529	2.6
91.04912	2.4
91.05489	60.3
93.07049	61.3
93.32417	1.8
95.04975	25.3
95.08614	39.0
97.06499	5.1
97.10170	4.5
98.20732	4.2
103.05444	2.0
105.04543	3.3
105.07039	45.9
107.04934	6.7
107.08596	23.4
109.06538	8.4
109.10133	6.9
111.08059	2.0
117.07011	11.6
118.73142	1.5
119.08594	31.6
121.06525	3.5
121.10129	4.7
123.08120	7.5
128.06192	2.3
129.07034	13.7
131.08566	4.4
133.10127	11.8
134.09685	8.7
135.11722	3.9
141.79028	1.5
143.08553	7.5
145.10120	11.1
147.07994	2.1
147.11685	29.9
161.09624	3.9
161.13251	14.7
163.11201	1.8
171.11700	23.9
189.12769	9.2
207.13846	7.6
210.12727	3.7
281.17514	26.8
282.22195	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1544
Annotation	Metalaxyl
Peak:m/z	Relative Intensity
52.31034	0.5
55.05506	1.8
56.53050	0.4
57.03427	1.0
59.04995	4.0
62.49376	0.4
64.71646	0.4
70.06367	1.1
70.95831	0.6
72.93789	1.4
73.06556	0.6
74.04568	0.4
90.94802	0.5
91.05483	1.2
93.07036	0.5
93.09178	0.4
107.04927	0.6
110.06061	1.1
118.06525	1.1
119.07356	0.7
120.08103	100.0
121.08433	1.1
130.06575	0.4
140.09575	0.4
148.07571	0.7
149.02327	1.9
150.02666	2.0
168.99478	1.0
195.00996	0.8
196.99042	0.5
206.97408	0.5
220.13327	94.5
221.13673	1.1
248.12825	1.7
257.01120	1.4
279.03918	0.6
280.15439	48.1
281.15683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.5
56.25766	0.5
57.03429	0.6
59.04995	0.5
59.60227	0.4
69.03416	1.0
70.90495	0.8
70.90824	0.8
84.04503	11.7
84.08158	0.9
85.02907	20.0
86.06075	1.3
87.04464	0.8
95.01315	1.3
98.97614	0.8
102.05541	7.6
107.04964	1.2
112.03961	0.8
113.02377	1.2
117.03408	0.7
118.06522	0.7
120.08106	56.6
121.08395	0.8
122.09650	0.6
130.05003	59.4
135.04411	1.0
136.06232	0.8
145.02843	1.2
146.09709	0.9
152.10710	100.0
153.10979	1.0
160.84877	0.4
163.03906	4.4
166.15105	0.5
178.12350	0.8
190.08659	2.0
221.84550	0.6
232.09644	0.7
264.12256	6.5
281.14975	28.6
282.13370	2.0
298.57227	0.5
299.06195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2322
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.67350	0.4
53.03952	1.4
55.01887	0.6
55.05517	10.7
57.03447	1.3
57.07085	4.7
64.98631	0.4
65.03955	3.0
67.05512	99.6
68.05853	0.5
69.03483	0.5
69.07076	10.6
71.04999	1.3
71.21164	0.5
71.21524	0.6
75.79632	0.4
79.05502	14.4
81.07066	100.0
82.07410	0.8
83.04989	1.1
83.08633	5.8
85.02914	0.5
85.06554	2.0
85.10168	0.8
87.12154	0.4
89.56334	0.4
91.05488	5.3
93.07055	13.9
94.38741	0.4
95.05003	1.0
95.08618	81.6
96.08966	1.0
97.06551	1.6
97.10173	3.6
99.08087	0.8
105.07050	4.8
105.58967	0.4
107.08598	9.4
109.06529	1.1
109.10168	48.6
110.10486	0.6
111.11710	1.0
113.09655	1.6
116.38588	0.5
117.07047	2.0
119.08596	4.4
121.02898	1.4
121.03929	0.6
121.06496	0.6
121.10157	7.3
123.08094	1.8
123.11720	25.2
127.07544	0.8
131.08589	4.4
133.10143	3.8
135.08070	1.3
135.11710	5.1
137.09627	1.1
137.13278	9.4
139.07430	0.4
139.11226	1.0
140.10159	0.4
145.10167	3.6
147.11720	2.5
149.02364	20.2
149.09634	2.4
149.13277	3.6
151.11227	1.6
151.14838	3.4
153.09152	1.0
159.11737	2.0
160.09645	0.4
161.13292	2.0
163.11188	1.4
163.14891	1.5
165.12752	1.3
167.10709	0.9
167.14401	0.6
173.13304	3.1
175.14896	0.5
177.12782	1.9
177.16446	0.5
177.72926	0.5
179.14369	1.2
181.12289	1.3
187.14864	3.1
191.14343	1.4
195.13788	3.1
201.16408	0.7
205.15924	1.2
209.13605	0.7
209.15276	2.6
219.21141	1.0
223.16954	2.3
233.22623	0.4
237.18510	1.6
243.21193	2.7
261.22189	4.3
279.09219	1.2
279.19797	2.4
279.23212	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05514	9.4
57.07068	1.3
58.26120	1.1
65.03938	2.6
67.05504	100.0
69.07064	7.9
69.53249	6.7
79.05496	12.5
81.07056	96.7
83.08603	3.0
91.05478	4.0
93.07047	7.7
95.08607	71.3
96.39880	1.0
97.10152	2.9
105.07038	2.7
107.08586	5.8
109.10156	44.1
119.08595	2.3
121.10131	6.2
123.08030	2.1
123.11711	26.6
131.08577	3.1
133.10153	2.6
135.11693	3.7
135.48845	1.0
137.09627	1.5
137.13243	7.3
145.10127	1.7
147.11739	2.0
149.02351	4.9
149.13277	1.8
151.14766	2.0
158.77228	1.0
159.11763	2.6
161.13263	2.0
163.14856	1.4
163.46663	1.1
173.13324	2.4
187.14848	2.8
195.13829	2.0
209.15370	2.1
223.16919	3.3
237.18576	2.0
261.22159	3.3
273.04965	1.0
279.23190	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.11511	0.5
53.03949	1.5
55.01860	0.6
55.05515	10.8
57.03448	1.4
57.07085	5.0
65.03947	3.2
67.05511	97.2
69.03434	0.6
69.07075	12.2
69.07428	1.0
69.88116	1.9
69.88523	1.3
69.92538	0.5
71.05006	2.0
71.08643	1.1
73.06567	0.6
79.05144	0.3
79.05503	15.9
81.07064	100.0
82.07399	1.5
83.04987	1.3
83.08628	6.0
85.06559	1.7
91.05488	5.6
93.07048	14.4
95.05006	1.1
95.08616	82.1
97.06551	2.7
97.10168	3.8
105.07055	4.2
107.04934	0.6
107.08607	10.6
109.06535	1.7
109.10165	47.3
111.08099	0.9
111.11761	1.0
117.07064	2.2
119.08602	3.7
121.02892	1.4
121.10161	9.4
123.08099	1.6
123.11720	24.8
125.09689	0.8
131.08569	4.4
133.10153	3.5
135.08098	1.3
135.11687	5.7
137.09622	1.2
137.13260	8.7
139.11226	0.7
143.08534	0.8
145.10132	3.7
147.11691	3.5
149.02357	27.5
149.09637	1.9
149.13277	2.9
151.11203	1.3
151.14851	2.5
152.19875	0.6
153.00565	0.9
159.11740	2.8
161.13283	2.7
163.11235	1.7
163.14894	2.6
165.12823	1.3
165.16441	0.9
167.10730	0.9
173.13252	4.0
177.12808	2.4
177.16347	0.8
179.14319	0.7
181.12305	2.1
187.14853	4.0
191.14217	1.2
195.13849	2.6
205.15962	1.9
209.13379	1.1
209.15265	3.4
219.05980	0.6
219.21095	1.1
223.14969	0.7
223.16913	2.8
237.18651	1.5
243.21045	3.0
261.22208	5.3
279.04889	0.6
279.09381	1.6
279.20010	1.6
279.23248	39.2
280.23575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1859
Annotation	CHEBI:36312
Peak:m/z	Relative Intensity
56.05016	0.3
66.24017	0.3
69.92139	1.0
70.06573	0.6
79.05484	0.9
81.07049	0.5
83.53615	0.3
89.63113	0.3
91.05476	0.7
93.07043	1.0
94.06543	0.3
96.08139	2.2
98.21508	0.4
105.07034	0.5
107.07320	0.3
107.08591	0.5
108.08127	1.2
110.09685	1.8
112.46378	0.3
115.05382	0.3
117.07044	0.5
119.08620	0.4
120.08093	0.4
121.10139	0.6
122.09688	4.9
123.10458	0.6
124.11219	0.9
129.06990	0.4
130.06535	1.3
131.26505	0.3
131.27513	0.3
132.08119	0.7
134.09648	1.5
136.11221	2.8
143.08511	0.5
144.08110	5.6
148.11249	4.4
149.02362	0.9
153.55045	0.3
155.07344	0.6
156.08110	1.0
158.09706	0.4
159.09155	1.8
168.08076	1.1
170.09660	13.3
171.09216	1.4
172.11217	0.6
180.08139	0.9
181.08864	0.5
182.09666	0.7
194.09706	0.8
196.11224	0.5
197.10773	1.6
206.09593	0.6
207.10477	0.7
208.11290	0.4
218.09671	0.3
220.11282	0.5
221.12038	0.5
222.12793	1.1
224.14304	1.2
233.11993	0.4
234.12665	0.4
235.12337	0.4
236.14435	1.8
247.12260	0.5
248.14372	0.5
249.13959	0.6
250.15872	1.0
262.16150	0.5
264.15955	0.6
279.18579	100.0
280.18921	1.4
301.31573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.02022	1.3
53.03933	4.9
55.01860	6.2
55.05512	24.1
57.03439	2.3
57.07062	7.2
58.69323	1.8
59.04996	3.2
65.03959	3.8
67.05511	54.9
69.03437	9.7
69.06732	2.7
69.07071	31.9
69.73458	9.1
69.73795	1.7
71.05014	7.9
77.03959	1.9
79.05496	59.2
81.03413	4.7
81.07059	71.3
83.05001	12.2
83.08611	11.2
85.06570	10.7
89.03912	3.1
91.05473	24.4
93.07050	81.2
93.73434	1.6
95.04983	8.3
95.08611	44.5
97.06541	18.2
97.10157	4.6
99.08101	3.5
103.05450	2.6
105.07037	26.6
107.04949	5.4
107.06385	1.8
107.08598	54.9
109.06544	15.8
109.09479	3.1
109.10162	36.8
111.08095	8.8
113.09692	9.6
117.03384	6.4
117.07017	5.5
118.42894	1.9
119.08591	29.3
121.06466	4.4
121.10149	81.3
123.08090	8.5
123.11709	15.8
125.09645	6.1
129.06990	3.1
131.08589	9.1
133.02826	2.5
133.06502	2.0
133.10147	26.5
134.03635	5.2
135.04437	8.0
135.08073	4.2
135.11697	50.4
137.09633	11.3
137.13184	2.5
139.11169	6.9
143.08469	2.2
144.08078	3.2
145.02846	6.8
145.10133	13.5
147.04440	1.9
147.08003	1.9
147.11674	12.9
149.02342	9.1
149.09636	9.2
149.13278	15.4
151.11188	27.4
157.04991	5.7
157.10149	4.5
158.09659	1.6
159.11684	10.2
161.09627	3.9
161.13254	12.8
163.03909	47.0
163.11150	4.5
163.14839	3.2
165.12810	4.1
170.09630	2.1
171.11679	5.9
173.13268	4.5
175.11212	4.2
175.14845	19.0
177.12770	3.5
177.16193	2.1
179.03406	1.6
179.14339	2.0
181.12294	2.2
185.13257	8.1
187.03899	3.2
189.12769	4.3
191.03380	7.6
193.15889	4.6
195.13852	2.0
199.14847	5.2
201.16461	10.1
203.14299	6.6
215.03423	2.5
215.07024	1.9
215.18047	1.8
217.04977	17.0
217.19539	2.9
221.15314	2.5
223.12238	4.2
231.02872	3.0
235.16963	3.6
241.08699	3.0
241.19521	8.1
249.13841	8.9
257.22565	1.7
259.02444	2.7
259.09671	46.5
259.20596	16.1
259.37076	1.7
277.03503	8.7
277.08740	5.8
277.13989	3.0
277.17136	7.6
277.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	4.8
54.26604	1.0
54.34714	1.1
55.01859	4.1
55.05515	20.5
57.03422	3.6
57.07086	6.4
59.04983	4.3
65.03956	1.8
67.05506	38.2
69.03430	15.6
69.06731	1.7
69.07072	22.1
69.45227	7.8
71.04993	11.9
71.08627	1.0
79.05497	39.5
80.58142	0.9
81.03436	6.4
81.07059	60.5
83.04980	17.7
83.08237	1.1
83.08628	14.0
85.06544	12.8
91.05482	20.2
93.07046	72.3
95.04947	6.1
95.08614	43.3
97.06536	9.6
97.10164	4.3
99.08095	2.4
103.05476	1.7
105.04543	1.4
105.06321	1.2
105.07034	34.7
107.04965	3.1
107.08598	54.2
109.06526	18.2
109.10159	45.3
111.08098	11.4
113.09648	15.1
117.07018	6.2
119.08582	35.3
119.09212	0.8
121.06506	4.0
121.10147	65.1
122.07250	2.9
123.08051	8.8
123.11710	21.6
125.09621	6.3
128.06175	1.4
129.06992	4.4
131.08574	8.7
133.06508	1.6
133.09128	1.7
133.10136	37.1
135.08067	4.4
135.11691	40.0
137.09622	21.3
137.13229	2.6
139.11183	10.7
142.20911	1.0
143.08572	3.9
145.10129	13.8
147.04433	1.2
147.08032	3.6
147.11693	16.3
149.02306	3.1
149.09625	13.8
149.13258	20.3
151.11171	39.3
154.42583	1.0
157.06534	1.2
157.10172	5.2
159.11687	12.1
161.09636	5.7
161.13269	17.7
163.03857	1.8
163.11143	3.5
163.14783	2.6
165.12801	5.8
171.11646	6.2
173.13232	3.2
175.07555	1.7
175.11223	5.0
175.14818	26.8
177.12804	2.3
179.14253	2.6
185.13283	7.1
187.14801	1.4
189.12761	4.8
189.16277	2.2
193.15898	7.0
199.14882	3.0
201.16379	16.5
203.07025	1.3
203.14319	9.3
205.69884	1.1
213.92729	1.2
215.17857	1.7
217.15849	1.6
217.19499	3.7
219.17409	2.9
221.15291	2.6
231.03033	1.2
231.06473	2.2
231.21188	1.2
235.16919	1.9
241.19542	8.0
249.13896	2.6
250.48590	1.1
259.02347	2.2
259.20541	15.1
277.03577	6.1
277.06296	1.6
277.18439	3.2
277.21619	100.0
278.22134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	7.1
55.01859	3.9
55.05517	18.2
57.07065	4.6
57.72982	1.2
59.64710	1.0
64.88658	1.0
65.03951	1.6
66.79569	1.2
67.05508	37.5
69.06739	1.3
69.07073	17.5
71.04977	2.6
71.08622	1.6
79.05495	71.3
81.03386	1.5
81.07060	41.5
83.04967	3.6
83.08624	7.8
85.06532	1.9
90.10211	1.0
91.05486	26.5
93.07048	100.0
95.04972	7.7
95.08612	30.1
97.06541	2.7
97.10159	5.3
99.08086	2.1
105.04510	2.0
105.07030	17.1
107.04965	2.0
107.08595	49.8
109.06505	5.0
109.10156	11.9
110.59343	1.3
111.08086	3.6
117.07008	5.1
119.08592	13.2
121.06457	1.7
121.10150	36.7
123.08076	1.8
123.11701	5.7
125.09634	1.8
129.07008	2.4
131.08592	5.6
133.10133	13.7
135.08084	2.4
135.11699	46.5
137.06027	1.3
137.09616	2.3
143.08571	3.5
145.10135	5.0
147.11699	8.5
149.02467	1.2
149.09616	2.4
149.13277	21.5
151.11234	2.1
157.10114	1.4
159.11652	3.4
161.09615	2.4
161.13258	6.4
163.11227	2.0
163.14830	6.4
165.12781	2.0
171.11703	4.5
173.13312	2.2
175.11169	2.2
175.14873	2.5
177.12723	1.5
179.02492	1.3
179.10730	1.7
181.12271	1.6
185.13297	3.1
187.03943	1.5
189.12897	1.5
195.13821	1.7
203.14220	1.5
207.13824	2.8
208.81117	1.2
213.16374	1.2
215.17920	1.3
221.15425	4.1
228.97252	1.6
231.21008	2.7
235.16960	5.3
259.02490	1.3
259.20557	3.8
277.03397	3.0
277.21652	68.8
278.21924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.26150	0.8
53.03947	4.2
55.01880	3.1
55.05268	1.5
55.05514	16.2
57.03431	1.2
57.07079	44.1
58.07402	0.9
60.88211	0.8
65.03927	1.3
67.05511	23.1
69.07069	12.1
69.95117	1.3
69.95539	3.5
70.06603	1.0
71.04997	1.7
71.08644	1.6
75.09343	0.8
77.03928	0.9
79.05499	41.2
81.03409	0.9
81.06591	1.8
81.07058	26.6
83.04987	1.6
83.08627	8.3
86.22868	0.9
90.08058	1.0
91.05484	22.7
93.07048	57.9
95.04975	4.5
95.08613	20.7
97.06535	4.0
97.10168	2.0
99.08106	1.4
103.05503	1.2
103.46090	0.9
105.04530	1.3
105.07036	16.6
107.04958	1.6
107.08596	30.1
108.08994	1.1
109.06498	4.4
109.10165	8.2
109.97306	0.8
111.08072	1.6
114.53387	0.9
117.07038	2.7
119.08582	9.5
121.10147	26.3
123.04434	2.1
123.08057	1.6
123.11726	2.6
125.09627	1.4
126.14384	0.9
129.07059	2.2
131.08583	5.6
133.10114	9.6
135.08067	3.5
135.11696	27.6
137.09628	1.2
141.12741	1.1
142.07585	0.7
143.08527	1.7
145.10149	3.9
147.08000	1.0
147.11707	7.0
149.09584	1.6
149.13258	16.5
151.11224	1.6
157.10074	1.1
159.11700	3.7
161.09691	1.9
161.13268	4.8
163.03932	1.0
163.07462	1.0
163.11191	2.2
163.14861	3.9
165.12805	2.1
171.11734	1.0
173.13292	1.9
175.11176	1.3
175.14731	1.1
177.12769	2.8
179.10686	24.9
185.13264	2.0
187.03979	1.6
189.12779	1.9
193.12292	1.2
195.13838	1.5
203.03369	0.9
207.13850	2.1
213.16354	1.5
215.03171	1.0
217.15851	2.5
219.13870	4.6
221.15425	2.0
231.03050	1.8
231.21049	1.2
235.16939	100.0
241.19492	1.8
259.20447	4.7
259.27139	0.9
277.03479	4.1
277.18018	82.1
277.21609	51.6
277.28210	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	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03957	6.0
55.01860	2.3
55.05513	17.0
57.07067	3.0
57.85381	1.1
65.03922	1.5
66.23003	0.9
67.05511	34.4
69.07072	15.0
69.84719	3.4
69.85146	2.5
71.04977	2.0
77.03909	1.0
79.05497	74.2
81.03415	1.6
81.06593	2.0
81.07063	35.4
83.04971	2.6
83.08626	6.3
85.06519	1.5
91.05491	30.7
93.07050	100.0
95.04996	6.5
95.08612	25.5
96.28159	1.0
97.06535	3.3
97.10177	4.4
105.04536	2.5
105.07039	16.5
107.08604	51.0
109.06522	2.2
109.10159	14.2
111.08059	1.2
113.06030	1.2
117.07024	4.2
119.08577	8.9
121.06575	1.1
121.10154	42.8
123.08064	2.8
123.11704	3.1
129.06987	1.4
131.08574	4.2
133.10127	10.6
135.08087	1.4
135.11703	49.8
145.10120	3.0
145.86458	1.1
147.11661	8.4
149.09570	2.5
149.12204	1.7
149.13278	21.1
149.16701	1.0
151.11208	1.2
152.47728	1.0
157.10114	2.0
159.11700	1.8
161.13289	3.5
163.11169	1.2
163.14876	6.2
171.11655	2.9
173.13292	2.5
175.14854	1.9
177.16367	1.3
181.12210	1.5
185.13254	2.5
189.12810	1.1
195.13818	2.3
199.14839	1.3
203.14369	1.1
207.13783	2.7
213.16420	2.0
221.15373	2.8
235.16953	3.2
241.19550	2.0
259.02472	1.4
259.20639	5.0
259.32654	1.0
277.03552	1.9
277.21652	63.1
278.21954	2.0
286.27686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.3
53.03949	7.2
55.05520	19.3
56.08737	1.5
57.07078	3.7
60.32298	1.3
63.09430	1.3
65.03934	1.9
67.05512	33.9
69.07078	15.1
69.20201	6.3
69.20620	5.5
71.05002	2.3
77.03927	3.1
79.05501	79.5
81.07064	39.4
83.08613	4.7
85.06541	2.2
91.05492	30.0
93.07055	100.0
95.04982	7.3
95.08617	25.1
97.06559	1.4
97.10170	4.8
99.04492	1.2
104.82204	1.3
105.04538	2.7
105.07052	17.6
107.08606	55.2
109.06480	3.4
109.10175	16.4
117.07024	3.6
119.08587	9.6
121.10155	44.5
123.11742	2.1
131.08604	4.3
133.10159	11.4
135.11708	61.4
137.13336	1.3
143.08583	3.1
145.10117	4.1
147.11703	7.9
149.09634	1.7
149.13275	23.6
157.10127	3.0
159.11705	3.9
161.13257	3.7
163.14873	8.0
167.10492	1.4
171.11681	1.9
175.14830	3.2
183.02237	1.3
185.13298	2.9
189.12767	1.8
195.13765	2.0
205.89679	1.5
207.13759	2.2
213.16444	2.1
217.15991	1.7
221.15422	3.7
235.16942	4.9
239.95221	1.3
241.19533	2.4
252.44510	1.3
259.20508	3.7
277.21655	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03951	6.7
55.01859	1.5
55.05514	16.1
56.02631	1.1
57.07076	1.8
66.98761	1.1
67.05505	27.1
69.07061	13.3
69.21930	2.4
69.22336	8.2
77.03925	2.2
79.05494	74.3
80.96062	1.1
81.06597	1.9
81.07061	35.1
83.04983	1.5
83.08626	6.8
91.05478	26.6
93.07046	100.0
95.04951	4.3
95.08607	23.6
97.06522	3.1
97.10164	4.5
97.97211	1.4
98.20881	4.3
98.21563	2.8
105.04493	2.1
105.07031	14.3
107.08602	44.0
109.06521	1.8
109.10164	12.6
113.53155	1.1
117.07047	2.8
119.08578	9.7
121.10148	42.1
123.11736	2.9
129.07022	1.9
131.08563	2.9
133.10117	11.5
135.11693	47.5
145.10118	3.3
147.11705	6.6
149.09622	2.6
149.13261	23.4
159.11679	2.6
161.13229	4.1
163.14838	7.7
171.11670	2.4
175.14806	2.0
185.13242	4.1
195.13831	1.5
199.14758	1.6
213.16335	1.6
217.19630	1.6
221.15363	2.5
226.94296	1.2
231.17365	1.2
235.16980	3.7
241.19568	2.5
259.20569	3.5
277.21634	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	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02377	1.7
52.15382	1.0
53.03939	5.7
54.53244	1.2
55.01876	2.4
55.05513	21.9
57.07082	5.3
65.03945	2.0
67.05505	35.9
69.07067	16.3
70.06586	2.8
70.88139	2.2
70.88491	1.2
71.04981	1.0
71.08639	1.5
77.03900	2.0
79.05493	80.6
79.88243	1.0
81.07056	38.2
83.04964	1.7
83.08628	8.3
85.06539	2.1
88.07623	2.7
89.07965	1.1
91.05483	30.4
93.07043	100.0
95.04973	6.2
95.08604	27.2
97.06548	2.6
97.10169	3.4
99.08076	1.2
103.09529	1.2
105.04511	2.0
105.07027	15.4
107.08591	55.4
108.09030	1.4
109.06506	2.9
109.10155	13.1
111.08105	1.3
117.07014	2.6
119.08583	11.6
121.06524	1.0
121.10144	46.3
123.04409	1.7
123.08079	1.2
123.11704	4.0
125.09647	1.2
129.06972	2.1
131.08565	3.0
133.10112	9.2
135.11688	49.6
143.08560	1.5
145.10168	3.4
147.08058	1.2
147.11635	7.8
149.09633	2.8
149.13257	21.6
151.03889	1.5
155.10666	1.0
157.10112	1.3
159.11700	3.3
161.13245	5.3
163.11070	1.0
163.14798	5.7
171.11670	3.3
173.13283	2.8
175.11279	1.0
175.14806	1.7
177.12717	1.5
177.16362	1.3
181.12257	1.8
185.13228	2.7
189.12711	2.2
195.13850	1.9
199.14746	1.9
207.13832	2.3
213.16388	2.7
217.19505	2.0
221.15358	2.8
235.16962	5.3
241.19455	2.0
259.20560	3.9
259.27341	1.8
277.21646	58.8
277.28275	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	277.18
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03945	1.0
55.01874	9.3
55.05510	4.7
57.07065	1.1
57.62200	0.4
57.63551	0.3
62.87685	0.3
62.93058	0.3
65.55640	0.3
67.05181	0.6
67.05508	7.0
69.03436	0.6
69.07076	4.4
71.08630	0.7
75.11241	0.4
75.40769	0.4
79.05498	10.9
81.07062	39.0
83.04983	2.1
83.08630	1.9
85.06563	0.7
91.05499	4.3
93.07050	8.2
95.04995	0.7
95.08617	6.8
97.06518	1.5
98.21503	1.2
103.05502	0.5
105.07049	4.3
107.08606	6.0
109.06520	14.7
109.10178	2.8
111.04456	11.2
111.07385	0.4
111.08115	1.0
117.07015	0.6
119.08575	4.4
121.06554	0.7
121.10161	4.8
123.08088	1.8
123.11738	1.1
125.06001	4.7
131.08549	1.8
133.10138	4.0
135.08096	1.7
135.11713	5.6
137.05986	100.0
137.13254	1.4
138.06357	0.6
142.07800	0.4
143.08594	1.3
145.10132	1.4
147.08044	1.4
147.11693	4.4
149.09648	2.9
149.13239	2.3
151.07526	2.2
151.11214	0.9
157.10133	1.8
159.11691	0.9
161.09622	5.1
161.13249	2.0
163.11232	2.5
163.14836	0.9
165.09122	2.2
165.12729	0.4
167.10670	0.7
171.11716	1.4
173.13304	0.7
175.11232	4.4
175.14828	1.0
177.09131	0.4
177.12794	0.5
179.10625	1.7
181.12344	0.5
185.13295	0.8
189.12814	1.1
193.12350	1.0
195.13826	0.4
203.14432	0.4
203.17941	4.4
205.19530	0.8
207.13791	0.5
213.16415	2.6
221.18987	0.9
223.14822	0.4
228.90698	0.4
231.17461	6.6
235.16959	0.8
241.15892	1.2
249.18494	3.2
273.42267	0.4
277.03555	0.8
277.18021	5.8
277.21594	3.3
295.19348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1071
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
53.15001	0.8
55.01865	0.7
55.05501	2.3
57.03433	1.1
60.21514	0.8
65.03954	4.1
67.05505	41.4
69.03422	1.6
69.07053	2.4
71.04988	1.6
71.49604	1.2
79.05504	1.6
91.05456	1.1
95.04968	100.0
96.05297	0.8
97.06537	6.6
105.07022	0.8
107.09320	0.6
115.05487	0.9
117.03381	1.9
117.07040	0.8
119.04961	0.8
119.08688	1.0
123.04452	5.3
125.29070	0.6
128.06204	1.2
131.04898	1.1
133.06540	1.0
135.04404	4.3
142.07771	0.8
143.04883	1.1
143.08591	2.3
145.02834	1.2
145.50238	0.7
147.04445	1.4
147.76009	0.6
147.93021	0.7
151.03967	0.7
152.06227	0.7
153.06989	0.9
157.10181	1.0
159.04401	1.2
160.05188	3.8
161.02364	3.6
161.05971	10.8
163.03909	15.2
164.04678	2.3
165.05499	11.7
165.06888	1.0
167.08589	4.7
169.06483	1.3
171.08078	1.6
173.02338	4.5
173.05998	2.6
174.06680	1.0
175.03944	1.1
175.07536	3.7
176.04697	1.1
181.06494	1.5
184.05254	1.2
185.06067	1.0
185.09607	1.3
187.07643	2.0
189.05492	2.0
189.09114	11.9
195.08067	7.7
198.06735	1.6
198.32439	0.7
199.07570	1.4
201.09024	1.3
203.10730	2.2
209.04460	9.2
213.09106	10.1
215.07030	11.2
215.10464	0.7
217.08603	9.7
223.07553	0.7
226.06276	0.9
231.10132	8.4
233.08144	2.0
241.08638	2.8
259.09662	53.9
260.10095	0.9
277.03430	1.5
277.08057	0.7
277.10800	11.6
277.17075	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	277.1702
Annotation	Valparicine
Peak:m/z	Relative Intensity
53.03941	1.5
53.53019	0.9
55.01872	2.7
55.05499	3.8
57.03432	2.3
65.03925	2.0
67.05518	6.7
67.37148	0.9
69.03437	8.3
69.07079	14.0
69.08029	0.9
69.64024	6.1
71.04995	2.0
79.05502	12.0
81.03416	3.3
81.07074	5.3
83.08613	2.2
85.02919	1.8
85.06586	1.0
89.03920	5.5
91.05495	34.5
93.07072	6.0
95.04964	1.8
95.08610	3.5
97.02881	2.3
97.06544	52.6
103.05466	1.4
105.07047	7.3
107.04944	2.1
107.08591	3.3
109.10122	2.2
111.04369	0.9
115.05449	4.5
117.03394	8.2
117.05756	1.2
117.07031	9.1
119.08575	2.4
120.08125	11.5
121.10143	3.5
123.08060	1.1
123.11698	1.4
127.41624	1.0
128.06230	3.8
129.07042	5.3
130.06531	8.7
131.07430	0.9
131.08556	2.5
132.08115	10.9
133.02878	2.7
133.10120	1.5
134.09657	5.1
135.04439	13.1
135.11726	2.8
141.06982	1.6
143.07307	5.2
143.08560	6.4
144.08101	81.6
145.02873	7.4
145.06444	1.4
145.08534	1.0
145.10127	1.5
146.09657	3.2
147.04388	1.4
147.11696	2.0
153.06982	1.1
154.06512	1.3
155.06175	1.4
155.07315	7.4
156.08092	3.8
157.06416	1.5
157.08856	3.3
157.10033	1.7
158.09673	25.0
159.04425	5.3
161.02361	16.2
161.13289	1.0
163.03923	36.5
163.64529	1.1
167.07285	1.1
168.08099	8.0
169.08861	3.3
170.09676	48.7
171.09142	1.6
172.11279	1.8
173.02365	32.9
175.07584	1.7
180.08186	1.1
182.09738	1.7
185.06003	3.0
187.03906	3.2
191.03410	8.5
203.07018	1.3
205.06415	1.3
205.08881	1.1
206.07266	1.7
215.07051	44.4
215.09134	2.5
217.08772	1.3
218.09653	2.0
219.10466	1.4
223.12320	3.7
225.23500	1.0
230.09653	3.1
231.02933	1.6
231.06544	1.8
231.10378	3.3
232.11180	1.8
233.08145	4.4
233.12048	4.8
234.06743	4.6
234.12859	10.3
245.43361	1.0
246.12825	5.3
248.14386	30.3
249.09175	2.8
249.13930	8.0
259.02341	2.3
259.09702	19.9
260.14435	5.9
262.06277	1.5
277.03427	4.5
277.08597	5.5
277.10941	2.3
277.13614	4.4
277.17017	100.0
277.21802	4.5
277.48914	1.1
278.17404	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
58.99840	0.9
68.98285	2.0
69.03429	2.9
70.30487	2.0
70.99839	1.8
72.38092	0.6
77.00889	0.5
81.03399	1.9
82.99835	12.2
83.65510	0.5
85.02891	2.2
86.99313	1.8
89.00881	1.3
94.99819	1.2
97.01385	1.2
97.02888	6.8
98.97563	0.7
99.04429	0.7
100.00182	0.7
101.00884	70.4
102.00962	1.0
103.00613	1.6
105.00387	0.8
109.02864	2.4
113.00867	13.4
115.02453	3.1
119.01925	52.8
119.77294	0.7
120.01991	0.7
121.01681	1.9
125.00889	1.3
127.02431	7.2
129.00322	1.1
129.03969	0.8
131.01915	15.9
133.03439	2.3
137.00836	2.8
137.02956	3.6
139.02431	5.2
141.00298	0.7
142.01147	0.7
143.01904	66.2
144.02000	1.3
145.03465	18.4
147.01384	1.3
147.03209	1.2
147.04941	0.7
149.02971	1.2
155.01895	16.0
157.03474	21.1
158.03496	0.6
159.01372	2.2
159.05017	0.8
160.02220	0.9
161.02960	100.0
162.03143	2.0
163.04613	1.0
167.01915	7.7
169.03482	4.5
171.03221	2.3
171.05035	1.4
173.01442	0.9
173.02962	17.4
175.04544	8.6
177.54387	0.6
179.01898	3.8
179.03934	1.1
184.04500	0.7
185.02963	22.7
185.04607	1.2
187.02966	0.7
187.04521	10.8
189.04298	1.9
189.06041	1.1
191.04030	2.6
197.02977	13.4
197.04767	0.7
199.02892	0.7
199.04608	2.3
203.04012	10.6
205.05585	3.1
209.03026	0.7
215.03990	4.3
217.01962	0.6
217.05569	4.0
221.05159	1.8
227.04051	2.4
229.05579	1.2
231.05249	1.1
233.05182	0.8
235.06680	2.3
245.05081	61.9
246.05298	0.8
247.06702	0.6
249.06654	0.7
253.07639	0.8
263.06110	4.3
277.07727	87.0
278.08041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85913	3.6
67.24702	4.8
70.75545	13.4
78.89892	3.7
82.99841	13.5
97.02905	8.0
101.00890	92.3
103.00647	9.0
109.02911	7.0
113.00874	18.9
115.02444	9.2
119.01136	8.3
119.01927	71.2
121.01674	5.5
121.44885	4.7
127.02406	10.8
129.02161	6.8
131.01891	21.5
132.99365	4.1
137.00883	5.3
139.02452	6.4
143.01904	68.7
145.03487	25.8
147.03255	5.2
155.01884	30.7
157.03433	24.8
159.03258	4.7
161.02957	100.0
167.01913	18.1
169.03432	8.8
171.03189	13.8
173.02969	21.1
175.04532	11.2
179.01881	10.0
185.02986	36.9
187.04497	10.8
189.04308	6.7
192.35974	4.5
194.12814	4.0
197.03000	25.2
199.02759	5.0
203.04085	11.1
215.04010	11.4
227.04050	7.8
245.05066	77.8
249.06343	4.5
277.03540	25.9
277.07849	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06425	5.1
54.43615	6.4
54.76332	6.7
67.55486	5.8
70.34013	10.4
70.34410	14.2
82.99844	7.7
89.03906	10.6
97.02878	9.9
101.00876	92.5
103.00618	24.4
103.01245	7.1
107.04898	7.9
113.00864	16.9
117.03380	15.5
119.01923	64.1
121.01691	32.7
121.02843	6.7
127.02436	15.2
129.02133	15.4
131.01909	15.6
133.03452	11.9
135.04391	13.6
136.04663	7.5
139.02428	6.5
143.01886	60.3
145.03465	23.0
146.03445	7.7
147.03188	26.8
149.48697	6.6
155.01894	20.3
157.03506	32.0
161.02956	81.6
163.03902	100.0
164.04242	26.0
169.03493	12.6
170.03615	6.6
171.03159	45.7
173.02936	24.9
173.04758	8.0
175.04507	13.8
185.02997	32.6
187.04556	14.0
189.04208	46.0
189.32976	6.4
197.02925	17.6
199.02713	18.9
203.04016	12.9
215.04094	14.2
216.04196	11.2
217.03850	16.0
221.05037	8.5
231.05359	20.1
233.04945	8.2
234.05194	12.5
235.01192	8.7
235.04785	11.0
245.05061	80.8
254.76678	6.5
277.03091	16.8
277.05704	27.3
277.08246	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03955	1.6
53.27616	1.0
55.01856	3.0
55.05320	0.9
55.05517	10.3
57.07067	1.0
65.03934	1.5
67.05518	16.0
68.47771	1.0
69.07073	8.7
69.14499	9.5
69.14906	1.3
71.05004	2.7
79.05500	17.0
81.06599	1.2
81.07066	18.7
83.05002	2.7
83.08620	4.2
83.28445	1.0
90.88264	1.0
91.05490	29.5
93.07059	17.7
95.04979	2.6
95.08619	10.2
97.06529	2.9
97.10157	1.9
103.05476	1.3
105.04520	1.2
105.07041	41.3
107.04945	3.2
107.08607	15.4
109.06516	2.5
109.10184	5.9
111.08047	1.2
117.07043	8.3
119.08591	29.1
121.06493	2.9
121.10149	7.6
122.09232	1.0
123.08018	1.1
123.11704	1.5
125.09618	1.3
129.07001	1.9
131.08575	9.5
133.06487	1.8
133.10146	25.3
135.08069	2.1
135.11684	3.9
137.09598	1.6
141.06961	1.3
143.08577	2.3
145.10123	10.5
147.08046	2.4
147.11694	17.2
149.09647	8.1
149.13263	1.8
151.11191	2.2
155.08539	1.1
157.10146	2.4
159.08025	1.2
159.11697	9.2
161.09676	1.3
161.13248	6.4
163.11212	4.9
165.12762	1.3
169.10149	1.7
171.11711	2.9
172.78731	1.0
173.13281	4.9
175.11224	2.4
175.14934	1.2
177.12822	1.3
183.11763	1.5
187.11186	1.1
197.13335	1.8
215.14224	1.2
215.18050	1.7
217.15904	1.3
229.19511	2.1
233.19054	2.3
234.40271	1.0
239.17914	5.5
247.20604	3.4
257.19009	7.2
275.20099	100.0
275.27808	3.8
276.20526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.82890	1.0
53.03941	2.4
55.01865	2.3
55.05274	1.4
55.05518	17.4
56.24007	1.1
64.19897	1.3
65.03928	2.3
67.05177	2.0
67.05508	18.6
69.07072	10.4
70.01691	5.0
71.04982	1.9
79.05069	2.1
79.05495	23.3
81.07063	22.0
83.04974	2.8
83.08618	6.6
85.06542	1.2
85.50426	1.0
88.44034	1.0
91.05480	36.9
93.07050	26.5
95.04961	3.4
95.08617	16.2
97.06541	5.8
97.10166	3.3
99.08064	1.3
103.05482	2.0
105.07037	50.4
107.04965	2.4
107.08601	15.2
109.06521	4.6
109.10164	8.1
111.08091	2.6
117.07038	10.9
119.08588	36.2
121.06487	4.2
121.10157	10.1
123.08070	3.3
123.11727	1.3
125.09637	1.3
129.07018	2.3
131.08578	15.3
133.06519	1.8
133.10136	36.3
135.08017	6.3
135.11668	4.0
137.09641	5.3
143.08551	2.6
145.10143	16.9
147.08083	1.5
147.11700	15.9
149.09630	15.5
149.13216	1.4
151.11163	4.2
155.08440	1.3
156.09325	1.2
157.10144	2.8
159.11710	13.2
161.09622	1.5
161.13263	5.7
163.11153	7.1
165.12762	4.3
169.10089	2.7
171.11705	4.3
173.13278	4.5
175.11214	3.0
177.12773	1.6
183.11749	2.8
187.11165	1.4
189.12822	1.4
197.13251	3.9
201.12727	2.0
207.08241	1.2
211.14801	1.5
229.19510	3.5
239.17938	12.4
247.20627	2.8
257.18997	13.6
275.20078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	1.9
55.01862	4.2
55.05516	15.7
57.03447	1.2
57.07061	1.7
67.05508	23.6
69.07067	8.6
71.04987	2.4
79.05499	20.7
81.03403	1.3
81.07054	21.7
83.04977	2.3
83.08636	7.2
85.06542	1.9
87.43970	1.1
91.05482	41.0
93.07047	27.2
95.04984	5.0
95.08607	15.2
97.06540	7.8
97.10146	2.6
103.05466	1.4
105.07034	53.4
107.05005	2.3
107.08593	15.2
109.06514	4.4
109.10146	7.0
111.08071	2.3
115.05399	1.1
115.22516	1.1
117.07028	12.2
119.08589	32.4
120.83865	1.0
121.06516	5.2
121.10155	10.9
121.10964	1.6
122.08717	1.2
123.08051	5.4
123.11697	1.9
125.09630	3.0
129.07007	3.8
131.08583	16.4
133.06487	2.1
133.10136	36.7
133.89708	1.1
135.08052	6.2
135.11719	3.9
137.09657	2.5
139.11169	1.1
143.08545	4.0
145.10127	17.2
147.08006	3.0
147.11697	17.6
149.09639	11.8
149.13281	1.7
151.11169	4.4
155.08548	2.5
157.10139	4.3
159.11696	9.8
161.09619	3.2
161.13271	5.2
163.11185	7.7
165.12752	2.5
169.10091	2.9
171.11702	2.9
173.09622	1.3
173.13248	4.6
175.11220	1.5
175.14792	1.5
177.12775	2.1
179.10620	1.2
183.11711	3.2
185.13307	1.9
187.11179	1.9
187.14865	1.4
191.14185	1.2
197.13255	3.5
211.14830	1.5
215.17929	1.1
229.19530	3.9
239.17973	12.9
247.20535	2.4
257.19003	14.1
275.20068	100.0
275.27710	5.1
276.20474	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02393	1.3
53.03946	3.8
55.01875	13.0
55.05517	17.0
56.48085	1.2
57.03413	1.6
57.07101	1.3
62.26879	1.4
65.03947	2.2
65.46555	1.2
67.05508	20.9
69.07073	13.8
69.45881	4.0
69.46302	5.6
77.03921	1.3
79.05499	28.6
80.90717	1.4
81.03422	1.9
81.06593	2.4
81.07059	37.7
83.04958	3.2
83.08629	7.3
84.21444	1.4
91.05488	54.9
93.07047	23.8
95.04967	4.6
95.08620	16.4
97.06542	16.0
97.10151	2.8
103.05441	2.7
105.07036	86.8
107.04958	7.3
107.08574	12.8
109.06534	2.8
109.10158	7.2
115.05455	1.6
117.07024	13.5
118.22136	1.2
118.98201	1.3
119.08584	44.1
121.06527	2.9
121.10165	7.3
123.08060	2.0
123.11726	2.4
123.80136	1.4
129.07034	3.2
131.08592	20.0
133.09126	2.7
133.10143	54.0
135.08058	3.6
135.11707	3.8
137.09631	2.1
143.08586	3.6
145.10126	14.5
147.08092	1.8
147.11691	23.6
149.09630	10.1
149.13251	2.4
151.11186	3.3
157.10161	2.2
159.11684	9.5
161.13274	4.2
163.11157	4.1
165.09076	2.2
169.10127	2.8
171.11716	1.6
173.13286	4.7
177.12659	3.0
179.14268	2.2
183.11708	2.8
193.87973	1.2
197.13187	2.0
229.19440	3.2
239.17984	2.6
244.05690	1.1
247.20604	4.4
257.19058	9.0
275.20081	100.0
275.27859	3.8
276.20526	1.3
284.98737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03950	2.2
55.01867	3.3
55.05511	14.9
57.03429	1.7
61.32069	0.9
63.34511	0.8
67.05505	19.0
69.03420	1.3
69.07063	9.7
70.00288	1.7
70.00684	1.8
71.04984	1.7
79.05497	22.0
79.93665	0.8
81.03421	1.6
81.07056	22.6
83.04979	1.3
83.08624	4.4
85.06576	0.9
86.17236	0.9
91.05484	36.4
91.83418	0.9
93.06487	1.5
93.07046	22.9
95.04952	3.7
95.08611	14.2
97.06526	3.3
97.10162	1.7
103.05455	1.7
105.07037	48.5
107.04967	3.9
107.08594	13.8
109.06512	4.8
109.10145	6.1
111.08077	1.4
117.07024	10.0
118.07822	1.0
119.07718	1.5
119.08586	31.3
119.85616	0.9
121.06540	4.4
121.10135	8.9
123.08079	2.0
123.11710	1.5
125.09634	2.3
129.06995	2.1
131.04890	0.9
131.08574	14.5
132.09314	0.9
133.06570	1.3
133.09119	1.8
133.10133	31.3
135.08066	3.8
135.11684	4.9
137.09633	2.7
141.07016	1.4
143.08586	2.8
145.10118	12.5
146.10942	0.9
147.08040	1.8
147.11688	22.0
149.09615	6.7
151.11208	3.6
153.65002	0.8
155.08536	1.2
157.10123	3.1
159.11719	8.0
161.09634	1.4
161.13243	7.6
163.11163	5.1
165.12819	1.5
169.10132	2.9
171.11690	3.0
171.49419	0.8
173.09627	0.9
173.13268	5.2
175.11089	1.9
175.14876	1.1
177.12833	1.4
183.11691	2.6
185.13159	1.6
187.11241	1.0
187.15018	0.9
189.12923	1.2
197.13354	2.1
201.12897	1.1
211.14835	0.9
213.16547	1.1
215.17967	0.9
221.27129	0.8
229.19507	3.5
233.19008	1.1
239.18015	5.6
247.20612	2.4
257.18964	9.8
269.52185	0.9
275.20074	100.0
276.20233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.39480	1.0
53.03919	1.2
55.01865	2.9
55.05511	13.9
58.45523	0.9
62.89896	1.0
66.52335	0.9
66.91652	1.1
67.05508	19.6
69.03426	1.2
69.07074	7.8
70.04873	4.4
71.04980	1.4
79.05079	1.6
79.05492	19.2
81.07056	19.7
83.04964	2.9
83.08617	6.0
91.05482	32.3
91.51694	1.1
93.06495	1.4
93.07048	22.3
95.04960	4.2
95.08607	13.2
97.06535	6.3
97.10165	2.5
105.07035	45.0
107.04954	2.5
107.08596	18.3
108.55603	1.2
109.06503	2.4
109.10126	7.0
111.08059	3.1
117.07027	10.0
118.48631	1.0
119.08589	30.3
121.06504	4.0
121.10136	11.4
123.08073	2.6
124.23383	1.0
125.09599	1.3
129.06976	2.5
131.08559	13.9
132.45610	1.2
133.06483	1.7
133.09132	2.0
133.10132	33.5
135.08070	3.8
135.11665	5.1
137.09598	3.1
141.06947	1.9
143.08559	3.5
145.10130	16.6
147.08029	2.9
147.11696	15.0
148.31200	1.0
149.09616	14.6
149.13214	1.3
151.11171	3.7
155.08585	1.6
157.10135	4.0
159.11687	10.9
161.09625	2.5
161.13252	6.8
163.11176	8.5
165.12741	2.7
169.10135	2.1
171.11670	4.1
173.13243	5.3
177.12772	3.1
179.14362	1.4
183.11693	3.3
189.12784	1.6
197.13228	4.5
201.12766	1.3
211.14816	1.1
213.16327	1.4
215.17989	2.8
229.19466	5.3
239.17996	11.7
247.20544	3.0
257.19006	12.8
275.20062	100.0
276.20395	2.2
288.87393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01877	3.1
55.05521	13.3
60.42905	1.4
64.24848	1.3
67.05180	1.9
67.05513	23.2
67.52401	1.4
69.07082	8.0
71.04989	2.1
79.05504	24.1
81.07066	20.6
81.25770	1.4
83.04966	1.7
83.08633	6.5
91.05495	30.6
93.07058	22.0
95.04961	3.4
95.08624	15.1
97.06525	5.7
97.10180	2.4
98.20710	2.4
103.05452	2.2
105.07049	44.0
107.04966	3.1
107.08609	19.4
109.06535	4.2
109.10193	7.9
111.08126	3.1
117.07054	11.9
119.07819	2.3
119.08601	33.2
121.06523	4.0
121.10175	8.8
123.08102	3.2
123.11715	2.0
131.08592	14.7
133.06535	2.3
133.10155	30.2
135.08105	6.3
135.11703	5.0
137.09622	4.8
143.08583	3.5
145.10139	19.3
147.08022	1.9
147.11711	14.5
149.09657	16.5
151.11168	5.3
155.08604	1.8
157.10167	3.2
159.11707	10.0
161.09602	2.8
161.13306	5.9
163.11195	8.7
165.12810	3.0
169.10095	1.9
171.11717	4.6
173.09557	1.7
173.13312	6.7
175.11098	3.1
175.14845	2.5
177.12798	2.1
183.11748	3.7
187.11218	1.9
191.14430	1.2
197.13280	4.8
201.12788	2.4
213.16273	1.4
215.17992	1.7
229.19484	3.4
239.17952	12.7
247.20567	3.5
257.19064	14.0
275.20102	100.0
276.20358	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.04123	0.6
53.03946	3.6
55.01876	5.8
55.05269	1.2
55.05514	14.2
57.03430	4.2
57.07066	2.4
58.93788	0.7
62.81758	0.8
65.03951	1.2
66.72702	0.7
67.05508	26.6
69.03438	1.3
69.07072	11.0
70.74343	2.1
71.04988	2.9
73.71692	0.7
77.03941	1.5
79.05495	36.0
81.03425	2.2
81.07060	63.4
83.04996	4.7
83.08608	6.7
85.06547	2.0
91.05485	36.4
93.06487	1.6
93.07047	24.6
94.69563	0.7
95.04960	6.6
95.08611	18.9
97.06529	5.5
97.10182	2.4
98.20835	0.9
99.08063	1.1
103.05464	1.4
105.04533	1.1
105.07038	43.0
107.04958	11.4
107.08599	20.4
109.06515	25.2
109.10162	7.8
111.08092	2.2
115.05426	1.2
117.07021	9.0
118.21391	0.8
119.08583	31.1
121.06506	8.5
121.10159	12.3
123.08074	5.6
123.11701	2.9
125.09632	1.7
128.06242	0.9
129.07013	2.6
131.08580	14.2
133.06523	2.1
133.09123	1.4
133.10141	29.0
134.20775	0.8
135.08076	7.1
135.11707	6.6
137.09610	4.7
139.11249	1.1
141.07037	1.2
143.08574	2.3
145.10129	13.8
147.08043	3.0
147.11685	18.1
149.09621	8.2
149.13240	4.5
151.11198	3.2
155.08562	1.4
157.10220	4.0
159.11696	8.6
161.09645	3.1
161.13268	4.8
163.11171	5.8
163.14809	1.5
165.12756	1.8
169.10129	2.2
171.11691	3.4
173.09668	1.5
173.13263	6.7
175.11200	3.8
175.14812	1.5
177.12766	2.3
183.11691	2.6
185.13281	1.2
187.11200	2.0
187.14853	1.4
189.12788	0.8
191.14343	1.9
193.12274	3.9
197.13277	1.8
199.14977	1.0
201.12732	1.6
204.19316	0.8
205.15921	0.9
213.16359	1.0
215.14238	1.3
229.19537	3.4
233.15501	1.0
233.18962	0.8
235.27335	0.8
239.17941	5.3
247.20648	6.2
257.19016	11.4
275.20078	100.0
275.27792	2.2
276.20435	1.0
276.85760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.01864	2.5
55.05514	13.5
57.03435	3.9
57.07064	2.5
65.03931	1.9
67.05508	20.8
69.03413	1.4
69.07066	9.9
69.81281	4.7
70.06573	2.8
71.04984	2.7
71.06902	1.3
77.03893	0.9
79.05496	23.6
81.06599	1.4
81.07062	26.1
83.04966	2.4
83.08630	5.5
85.06526	1.7
88.07611	3.7
91.05483	39.1
91.33814	0.8
93.06489	1.3
93.07050	22.0
95.04964	2.9
95.08610	15.6
97.06523	3.3
97.10162	2.0
103.05434	1.9
105.07035	51.7
107.04980	6.5
107.08581	13.1
109.06523	6.5
109.10164	4.5
111.08064	2.7
115.05501	0.8
117.07020	12.3
118.07827	1.3
119.08582	33.6
120.17725	0.9
121.06507	2.8
121.10145	8.1
123.08089	6.9
123.11678	2.2
125.09543	0.8
129.07018	2.9
131.08568	15.0
133.06512	1.4
133.10136	33.6
135.08067	6.2
135.11690	7.6
137.09621	4.4
139.11176	0.9
143.08540	4.0
145.10121	14.2
147.08051	1.0
147.11684	21.2
149.09624	7.6
149.13277	1.8
151.11198	2.2
155.08562	1.6
157.10158	4.6
159.11671	12.6
161.09599	2.2
161.13225	6.3
163.11227	3.8
165.12810	0.9
167.10667	0.9
169.10117	3.7
171.11673	3.1
173.09541	1.0
173.13266	7.7
174.13980	0.9
175.11203	2.5
175.14853	2.8
177.12767	2.4
183.11682	2.4
185.13254	3.2
187.11137	1.1
187.14812	2.0
189.12691	1.0
193.12303	1.0
197.13243	2.2
199.14764	1.3
201.12804	1.7
201.16385	2.1
203.14308	2.7
205.12102	0.9
213.16391	1.5
215.14275	0.9
215.17978	1.5
219.13841	1.4
219.17551	1.2
229.19559	3.5
239.17950	4.7
247.20691	2.0
257.19009	11.3
257.26663	1.7
275.20068	100.0
275.27750	26.2
276.20462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03944	1.6
55.01859	2.8
55.05278	1.0
55.05516	12.6
57.03414	1.2
57.07075	1.1
65.03940	1.2
67.05509	17.6
69.06741	0.8
69.07077	9.9
69.33087	6.1
71.04984	1.9
73.06539	0.8
77.03889	1.1
79.05082	1.3
79.05502	17.8
81.06585	1.4
81.07061	18.9
83.04978	1.6
83.08620	4.5
85.06504	1.1
88.22388	0.7
91.05486	40.1
93.07052	17.1
95.04976	2.6
95.08611	10.0
96.82102	0.7
97.06518	1.9
97.10148	1.3
103.05444	2.0
104.06322	0.7
105.04571	1.1
105.07039	55.5
107.04951	2.1
107.08607	12.9
109.06521	2.2
109.10158	4.5
111.08051	1.4
113.06004	0.9
115.05440	0.8
117.07022	10.4
118.07834	1.1
119.08589	31.6
121.06483	2.7
121.10155	6.5
123.08073	1.7
123.11711	1.0
125.09616	1.2
129.07011	2.3
130.07799	1.3
131.08566	13.3
132.09219	0.9
133.06453	1.5
133.10136	32.1
135.08061	2.7
135.11679	4.1
137.09590	1.8
143.08586	2.7
145.10133	14.5
147.08028	1.0
147.10516	1.2
147.11693	21.8
149.09644	6.2
149.13251	0.9
151.11244	1.5
155.08572	1.5
157.10127	2.5
159.11700	9.1
161.09633	0.8
161.13292	4.9
163.11150	3.6
169.10156	1.6
171.11699	2.0
173.13210	4.1
175.11203	1.1
175.14807	0.9
177.12747	0.9
183.11710	2.2
187.11156	1.7
187.14749	1.0
189.12656	1.0
197.13293	2.1
201.12869	1.3
205.12306	1.3
215.17924	1.0
217.15874	0.8
229.19533	1.9
233.15344	0.9
239.17920	3.7
247.20648	2.2
257.19034	9.2
275.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	2.7
55.01871	4.7
55.05515	14.1
57.03430	1.5
57.07067	1.0
65.03928	1.1
67.05506	23.0
68.57515	0.5
69.03443	0.7
69.07069	11.7
70.01132	1.4
70.01532	1.4
71.04987	1.5
79.05494	25.6
81.03409	1.4
81.07059	32.9
83.04974	3.0
83.08620	5.5
85.06529	1.2
91.05487	42.7
93.07043	22.6
95.04987	4.8
95.08605	15.4
97.06554	2.9
97.10171	1.8
98.21442	0.8
99.08086	1.4
103.05456	1.8
105.07032	55.5
107.04967	4.6
107.08595	15.3
109.06527	7.7
109.10160	6.8
111.08065	2.2
113.06004	1.0
115.05441	1.2
116.06239	0.9
117.07018	10.8
119.08586	36.5
121.06510	4.4
121.10144	10.5
123.08079	3.2
123.11693	3.4
125.09626	1.7
129.06973	3.5
131.08575	15.5
132.09387	0.7
133.06493	2.0
133.10132	36.4
135.08063	5.2
135.11716	4.6
137.09650	3.8
141.07021	1.1
143.08534	1.9
145.10114	11.4
146.11020	0.8
147.08000	2.1
147.11693	17.4
149.09637	7.5
149.13252	2.3
151.11197	2.2
155.08554	1.9
157.10146	4.3
159.08136	1.4
159.11688	9.7
161.09627	1.5
161.13249	6.3
163.11200	3.7
165.09129	1.3
169.10114	1.7
171.11697	2.8
173.09644	1.2
173.13286	6.0
175.11212	1.8
175.14799	0.8
177.12729	1.9
183.11699	1.8
185.13214	0.9
187.11179	2.0
187.14771	1.4
189.12823	0.9
191.14282	0.9
193.12268	0.9
197.13255	2.4
199.14795	1.5
201.12778	1.5
205.12228	0.8
211.14870	1.0
213.16306	1.3
215.14372	0.9
215.18047	1.8
219.13840	0.7
229.15909	0.7
229.19562	3.5
233.15297	0.8
233.18851	0.9
239.17941	4.3
247.20561	4.0
257.19028	9.9
275.20071	100.0
276.20557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.12845	0.2
53.03945	0.8
55.01876	0.3
56.24621	0.3
57.76462	0.2
67.01865	0.3
70.62405	0.6
77.03912	0.4
79.05506	1.0
81.03423	0.4
85.02901	0.4
95.04963	0.5
105.04492	0.5
105.07030	0.5
107.04961	100.0
108.05298	0.6
117.07005	0.3
121.06512	0.3
123.04435	0.7
127.03912	1.1
130.06552	0.5
131.04915	0.8
131.37752	0.2
132.08038	0.2
144.08098	3.6
149.05983	0.8
151.03899	1.4
151.45540	0.2
162.67245	0.2
167.59746	0.2
169.04984	10.8
258.12747	0.3
275.09186	1.6
275.15430	1.9
275.20157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03940	3.4
55.01879	12.6
55.05274	1.5
55.05516	17.7
57.03424	1.6
61.48881	1.4
62.77657	1.3
67.05183	2.0
67.05511	28.2
69.03419	2.7
69.07077	9.5
69.22124	12.4
69.22540	2.7
71.05004	3.4
74.56372	1.3
76.06479	1.3
77.05840	1.2
79.05499	38.6
81.03400	2.7
81.06612	2.3
81.07062	25.6
83.04959	3.7
83.08614	6.8
85.06524	2.2
91.05489	37.8
92.05836	1.5
93.06506	1.4
93.07052	24.1
95.04963	4.1
95.08593	11.9
97.06532	11.0
97.10161	3.3
105.07037	50.0
106.08665	1.5
107.04955	20.2
107.08606	24.6
109.06506	4.2
109.10167	12.1
117.07033	9.2
119.08589	34.3
121.06520	2.8
121.10134	9.3
123.08081	3.2
123.11690	2.5
125.09611	5.7
129.07037	3.0
131.08572	16.4
133.09261	2.6
133.10144	28.0
135.08040	4.8
135.11737	3.7
137.09590	2.2
143.08542	2.0
145.10133	12.8
147.11705	17.6
149.09624	35.5
149.13277	1.7
151.11256	1.8
157.10152	2.2
159.11710	7.2
161.09631	1.6
161.13268	5.4
163.11188	3.0
169.10115	2.7
169.12279	2.0
171.11717	3.6
173.11926	1.7
173.13298	4.8
177.12717	1.8
183.11732	3.0
187.11197	2.5
187.14774	2.2
205.43578	1.7
215.18063	1.9
229.19565	7.6
237.43005	1.3
239.17944	4.0
247.20572	3.7
257.19070	15.3
274.51181	1.4
275.20074	100.0
276.20502	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29637	0.7
51.74722	0.6
52.83820	0.7
59.88836	0.6
65.03938	1.1
67.05492	2.8
67.67659	0.7
68.98286	1.4
69.03429	2.4
69.50671	4.8
69.50991	1.1
71.43945	0.6
81.52880	0.7
82.99841	9.1
83.04982	1.9
85.01417	1.0
85.08582	0.6
86.99326	1.0
93.03397	1.8
95.04981	3.1
97.01398	1.0
97.02888	1.3
101.00887	52.0
102.00926	0.6
103.02480	0.8
109.01374	3.0
111.02979	1.4
111.04429	2.2
113.00819	0.8
115.02398	1.4
119.01928	55.7
120.02019	0.7
121.02889	6.2
125.00872	0.8
125.04498	1.5
127.02425	31.1
131.01897	0.9
133.03496	0.9
137.02965	5.2
139.02409	4.2
139.03912	1.6
141.03966	0.7
143.01883	5.9
143.05550	2.1
145.03473	39.7
147.01289	0.9
151.02422	3.9
153.03990	4.8
155.01941	1.0
157.03479	10.7
159.05052	2.4
161.02968	6.8
163.04640	0.7
167.01913	5.1
168.04951	0.7
169.03473	72.4
170.03603	1.1
171.01355	2.1
171.05031	10.4
175.04535	2.1
179.01892	2.7
183.04985	1.3
185.02965	27.6
185.06607	2.5
187.04532	70.6
188.04735	1.6
189.02475	2.4
193.03500	0.8
195.05034	7.6
197.02957	17.9
203.01912	1.7
203.04001	3.3
205.05566	6.2
210.06140	0.8
211.04529	5.5
213.02452	2.2
213.06006	3.8
215.02097	1.0
215.04037	12.4
221.03014	5.0
229.05591	51.4
230.05801	0.9
231.03558	4.0
239.04021	2.7
241.18968	0.6
247.06659	18.4
247.09196	1.2
249.04553	1.0
252.07300	0.7
257.05075	4.2
267.70145	0.7
275.06128	100.0
276.06372	2.6
293.07169	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03948	1.7
55.05519	9.6
57.07071	3.2
67.05505	13.0
69.07072	42.3
69.83573	3.4
69.83989	3.9
76.05801	1.4
79.05497	10.1
81.06595	2.4
81.07057	35.3
82.92598	1.3
83.08620	10.6
91.05473	5.1
93.07053	22.5
95.08613	37.0
97.10177	5.3
98.20727	1.5
105.07034	10.3
107.08602	40.8
109.10162	28.7
110.64493	1.4
111.11703	7.0
119.08577	10.5
121.09473	1.3
121.10147	31.4
123.11717	11.9
131.08586	1.9
133.09178	1.6
133.10107	9.2
135.11708	16.3
137.13255	4.0
145.10071	1.7
147.11679	8.1
149.13275	37.2
161.13251	6.8
163.14828	100.0
174.93373	1.6
175.11278	1.3
175.14825	6.1
177.16431	10.3
189.16373	7.0
191.17984	12.3
203.17912	9.4
217.19505	12.8
231.21111	2.4
273.18680	7.7
273.23099	2.0
273.25787	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09210	1.6
57.07554	1.5
67.05492	3.5
70.27003	6.7
70.27357	1.8
82.99858	8.6
83.04980	2.7
95.04968	3.0
101.00891	39.9
102.94276	1.6
109.01379	3.3
119.01929	40.8
121.02843	5.1
123.35867	1.6
127.01496	2.1
127.02424	28.5
129.03944	3.9
137.02991	3.5
139.02350	2.9
143.01949	3.9
145.03473	36.1
151.02386	6.1
153.03976	3.8
155.01978	2.3
157.03485	12.0
161.02963	5.2
167.01900	5.1
169.03479	73.6
170.03595	1.8
171.01405	2.6
171.05011	11.9
173.03058	2.0
175.04558	2.6
179.01950	4.1
183.60100	1.9
185.02965	19.7
187.04533	58.8
195.04988	3.8
197.02969	19.3
203.03946	4.2
205.05556	3.6
211.04430	3.8
213.02466	2.7
213.06271	2.0
215.04047	17.3
221.02921	3.5
229.05594	43.7
239.04021	2.9
247.06679	18.2
257.05090	5.0
275.06131	100.0
275.64536	1.6
293.07141	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03941	3.0
55.05515	25.8
57.07077	9.0
60.72474	1.7
65.03934	3.1
67.05514	35.9
68.34685	2.2
69.07076	44.2
69.24426	16.7
71.08633	3.6
71.96906	1.5
79.05070	2.2
79.05500	22.5
81.07063	79.0
83.08621	16.6
88.77747	1.8
91.05479	17.8
93.06496	3.1
93.07052	48.1
95.04958	3.6
95.08616	84.3
97.10185	10.3
105.07039	35.8
107.08608	66.6
109.06506	2.1
109.10167	68.3
111.11724	6.2
117.06999	2.7
119.08588	33.0
121.09340	3.6
121.10162	51.8
123.11720	40.3
129.07019	2.0
131.08563	5.4
133.10139	19.4
135.11703	36.2
137.13255	12.3
143.08548	3.1
145.10150	8.3
147.08086	2.7
147.11697	24.6
149.13271	52.7
151.14778	5.9
157.10176	2.7
159.11661	3.5
161.09656	2.7
161.13286	27.5
163.13606	2.8
163.14828	25.6
165.16347	2.6
175.14813	14.9
177.16396	19.2
181.20186	2.0
189.16393	24.5
191.17970	11.9
203.18021	16.8
217.19519	30.1
231.21071	5.6
273.18637	18.1
273.25793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03937	1.1
55.01868	3.9
55.05271	0.8
55.05515	10.1
57.03426	1.8
57.07068	1.0
58.06577	0.6
65.03918	0.9
67.05508	13.9
69.03422	1.4
69.07071	6.5
71.04996	1.3
71.48984	0.5
71.49358	0.7
74.35353	0.5
79.05492	12.4
81.03433	0.9
81.07053	9.6
82.61818	0.6
83.04969	1.3
83.08629	2.9
91.05486	22.7
93.07053	8.0
95.04989	2.6
95.08611	5.8
97.06503	0.9
97.10188	1.4
98.27474	0.5
103.05460	1.4
105.07039	19.5
105.61710	0.6
107.04977	4.2
107.08614	4.8
109.06507	2.2
109.10175	4.0
111.08080	1.1
115.05451	2.1
116.06211	1.5
117.07027	15.2
119.04925	1.2
119.08581	15.9
121.06496	2.3
121.10129	2.6
123.08044	1.6
125.09636	1.2
128.06227	3.1
129.07004	9.2
130.07814	2.7
131.08571	32.6
132.05707	0.9
133.06494	4.7
133.10117	5.8
135.08081	3.5
135.11684	0.8
137.09605	1.2
141.06964	1.3
142.07774	1.6
143.07518	0.8
143.08563	11.8
144.09344	1.4
145.06473	1.9
145.10130	23.9
146.07243	0.7
147.08058	12.6
147.11674	2.2
149.09634	2.6
155.08546	2.0
157.06474	1.2
157.10132	8.9
159.08064	4.3
159.11696	6.0
161.09612	8.3
161.13232	0.9
163.07605	0.6
163.11166	1.3
165.06944	0.6
167.08580	1.0
169.10153	1.6
171.08008	0.7
171.11662	4.8
173.09589	3.1
173.13245	1.7
175.11197	5.3
177.09143	1.2
177.12697	0.6
181.10130	1.9
183.11696	0.8
185.09610	2.1
185.13264	2.2
187.11188	1.2
189.12752	1.6
195.11739	1.6
199.11188	2.3
203.10732	1.5
203.14354	0.6
205.12303	0.9
209.13142	0.8
211.14792	0.7
211.33699	0.5
213.12747	1.1
213.16431	1.0
217.12294	0.8
227.17877	3.6
231.17384	1.5
237.16403	3.5
245.19063	4.1
255.17442	9.0
273.18503	100.0
273.29871	2.0
274.18777	1.8
274.27365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.94110	0.6
52.36836	0.7
53.03936	1.7
53.05867	0.6
55.01866	1.2
55.05526	3.8
55.05752	0.8
57.03413	1.0
57.07067	1.3
59.05004	0.9
65.03915	1.0
67.01857	2.4
67.05509	5.9
68.38915	0.8
68.99792	2.1
69.03438	3.6
69.07072	3.6
70.15686	1.3
70.16042	3.4
71.04987	1.3
79.05483	6.5
81.03434	1.2
81.07068	8.3
83.04964	1.6
83.08614	1.9
84.96056	0.8
85.02898	1.0
85.06543	1.1
91.05488	19.4
93.07046	8.8
93.41808	0.8
95.04972	4.4
95.08624	5.4
97.02891	2.5
97.06511	1.8
98.97566	1.5
103.05465	2.3
105.07035	15.4
107.04961	4.2
107.08105	0.6
107.08616	7.0
109.06526	9.5
109.10146	2.9
111.08067	1.1
115.05451	2.3
116.06217	0.9
117.07034	6.9
119.04945	19.6
119.08572	13.2
121.06517	3.2
121.10150	7.1
123.04418	3.9
123.08054	3.0
123.11687	0.9
128.06203	3.7
129.06989	4.9
130.06557	2.9
130.07764	1.5
131.04848	0.9
131.08586	9.8
133.06509	5.7
133.10121	6.7
135.08047	4.3
135.11702	2.2
137.05965	2.9
141.06969	3.3
142.07771	4.3
143.08557	11.5
144.08102	7.5
144.09193	0.9
145.06473	1.0
145.10129	11.7
147.04416	44.6
147.08055	3.7
147.11703	5.4
149.05994	2.5
149.09627	2.6
151.03856	1.0
151.07594	2.5
153.01833	100.0
153.06969	4.0
154.02145	1.9
154.07745	0.9
155.08583	5.8
156.09370	5.9
157.08920	0.8
157.10118	12.8
158.10925	1.2
159.08076	2.8
159.11697	5.7
161.05981	0.8
161.09668	4.9
161.11974	0.8
161.13284	1.9
163.11235	1.9
165.07002	1.8
166.07730	0.9
167.08632	3.8
167.10579	1.1
168.09407	1.4
169.10146	7.8
170.10938	2.4
171.02977	1.5
171.04395	1.1
171.08037	1.0
171.11725	11.7
172.12459	1.2
173.09647	7.9
173.13234	3.2
174.10345	1.5
175.11134	4.9
180.09404	1.0
181.06517	2.8
181.10152	4.3
182.10924	4.3
183.11720	3.9
184.08881	0.8
185.09673	2.0
185.13312	5.0
186.13890	1.1
187.11185	1.9
187.14815	1.4
189.05516	1.0
189.12752	7.5
194.10915	1.0
195.11723	4.5
196.12506	1.6
197.09637	1.1
197.13281	18.6
198.14012	2.5
199.11194	8.1
199.14748	1.0
204.17632	0.8
207.11765	2.3
208.12537	1.3
209.13321	1.8
211.14827	5.7
212.15590	4.3
213.09097	2.3
213.12749	2.8
213.16399	9.5
214.13544	1.2
215.14282	4.2
217.12213	1.8
222.14085	1.3
225.12796	1.8
227.14351	4.4
227.17859	1.6
229.15825	3.5
231.17435	1.8
237.16342	4.5
240.15080	2.4
241.08606	3.0
244.11195	1.7
255.06491	1.1
255.17439	24.4
267.10400	0.8
271.12262	0.8
273.07593	75.3
273.13928	15.4
273.18478	55.5
273.25568	1.9
274.07593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.88519	1.6
53.03960	2.0
55.05502	5.3
57.07073	2.5
59.04993	1.9
59.66150	1.5
59.99972	1.5
67.05495	6.0
69.03409	2.9
69.07057	6.0
69.76161	10.1
71.04972	4.7
71.65894	1.8
79.05487	6.5
81.07052	9.5
83.04980	4.5
83.08627	2.5
85.06539	4.1
91.05473	12.3
93.07076	10.7
95.04969	18.3
95.08596	10.0
97.06569	2.1
103.05501	1.8
105.07029	15.3
107.04959	2.1
107.08588	13.1
109.06525	21.1
109.10144	9.5
111.08080	5.1
113.05946	1.8
117.07008	6.8
119.08582	27.4
121.06516	2.6
121.10143	6.9
123.08072	18.8
123.11718	1.6
128.06190	3.6
129.07002	7.8
130.07753	2.2
131.08577	18.5
133.10133	11.6
135.08061	10.6
135.11688	1.8
137.09644	8.9
141.06990	2.5
142.07819	9.2
143.08582	13.2
144.09282	4.1
145.10127	42.0
147.08072	7.8
147.11667	17.1
149.09599	3.8
151.07555	3.6
155.08508	2.2
156.09309	8.4
157.10150	20.7
158.10866	5.3
159.08072	5.1
159.11710	11.1
161.09618	8.4
161.13271	5.0
163.11163	4.3
167.08589	2.3
169.10110	5.6
170.10974	2.8
171.11708	17.0
172.12321	2.8
173.09621	11.9
173.13271	23.8
174.10446	5.5
175.11185	14.7
177.12746	2.1
181.10126	2.0
182.10895	3.9
183.11664	5.5
185.09595	2.7
185.13251	10.9
187.11220	14.9
187.14885	9.1
189.12756	16.9
195.11806	2.8
197.13216	14.3
199.11122	8.7
203.14236	2.5
211.14839	5.1
212.15462	1.9
213.12770	5.4
213.16350	11.4
214.13535	1.7
215.14316	34.5
217.12253	7.3
227.17972	2.7
227.73036	1.7
229.15782	4.1
230.16733	1.9
231.17433	16.2
237.16341	5.0
243.13675	2.0
245.18961	2.0
255.17427	29.1
273.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1388
Annotation	Sempervirine
Peak:m/z	Relative Intensity
53.03959	0.2
55.05516	0.4
61.91711	0.3
65.03933	0.5
67.01855	1.3
67.05492	1.3
68.99792	0.9
69.03424	1.0
69.07072	0.5
70.39686	0.9
70.40048	0.3
79.05496	0.5
81.07069	1.6
83.01329	0.3
83.04987	0.6
84.15179	0.3
85.02908	0.8
85.98576	0.3
91.05495	5.6
93.07041	0.7
95.04975	1.8
95.08612	1.4
97.02934	0.7
97.06558	0.3
98.21001	0.4
99.00880	0.3
103.05468	3.8
105.07044	1.3
106.06541	0.5
107.04948	1.4
107.08613	0.4
109.10159	0.5
111.00802	0.5
111.04458	0.6
115.05473	1.2
117.07034	2.7
118.06528	0.6
119.04952	9.7
119.08617	0.6
121.06551	0.7
121.10123	0.6
123.04431	2.0
127.79432	0.3
128.06239	0.4
129.07007	1.4
130.06538	17.8
131.08583	0.5
135.11665	0.4
137.05962	0.3
141.07054	0.4
142.06505	1.2
142.07719	0.2
143.07292	1.4
143.08427	0.4
144.08095	52.4
145.06468	0.5
145.08502	0.4
145.10138	0.4
147.04424	22.6
149.06015	0.8
151.03894	0.5
152.06203	0.3
153.01842	51.2
153.06953	1.6
154.02188	0.7
155.06007	0.7
156.08121	2.3
157.08882	1.1
157.10117	0.5
159.08084	0.3
159.11656	0.3
163.04025	0.3
167.08623	0.3
168.08121	0.8
169.06430	0.4
169.07628	2.0
171.02925	1.0
171.04352	0.3
171.07993	0.3
179.03452	0.4
179.63760	0.3
180.08121	0.3
181.06459	1.4
182.07140	0.4
183.04486	0.4
183.08150	0.3
189.05473	0.7
195.07974	0.3
197.06004	0.3
198.06726	0.6
199.07597	0.4
199.11250	0.3
202.07945	0.4
213.09103	1.4
217.08621	1.5
218.09702	0.9
225.09119	0.5
228.09615	0.5
229.08713	0.8
230.09660	1.2
231.06569	0.3
232.11092	0.5
241.08693	2.2
242.09656	1.3
243.10435	4.3
244.11276	16.5
245.10678	1.3
246.12772	0.3
254.09706	2.5
255.03142	0.3
255.06427	0.4
255.10419	3.6
256.11295	5.2
257.10840	1.2
258.11520	1.1
271.12286	5.4
272.13101	0.4
273.07578	34.0
273.11270	5.1
273.13873	100.0
274.07779	0.4
274.14175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1122
Annotation	Warburgin
Peak:m/z	Relative Intensity
51.02376	1.9
53.03941	3.7
55.01867	3.6
55.05518	6.9
56.04598	1.3
56.10093	1.2
56.96563	1.8
57.03436	3.2
57.07064	1.7
59.15614	1.1
65.03944	1.9
67.05513	12.4
69.03453	3.2
69.07085	12.7
70.30241	1.2
71.05001	15.4
77.03928	3.1
79.05501	42.9
80.06271	2.3
81.03410	2.7
81.07057	15.7
83.05004	2.9
83.08592	1.5
91.05476	11.2
93.07045	6.0
95.04999	6.9
95.05525	1.7
95.08591	7.7
97.06538	42.1
102.04711	1.7
103.05463	3.8
105.03387	2.1
105.04560	2.0
105.07017	8.1
107.04937	2.2
107.08599	6.1
109.06541	1.7
109.10159	4.7
111.04493	2.0
111.08106	10.4
112.08881	4.1
115.05457	5.4
117.03416	1.5
117.07016	5.9
119.04948	3.1
119.08582	7.1
121.06497	3.0
121.10168	2.7
123.04447	2.1
123.11705	2.5
128.06252	3.6
129.07010	6.2
130.04176	1.9
130.06541	7.2
131.04921	3.7
131.08551	6.8
133.02879	15.4
133.06454	1.3
133.10143	5.4
135.04411	2.9
135.08047	3.1
135.11740	1.8
137.09650	1.7
137.13303	1.7
141.06950	3.0
142.07803	2.6
143.04924	2.5
143.08553	4.7
144.05737	1.7
144.08093	18.4
145.02847	2.3
145.06529	3.6
145.10149	6.5
147.04408	11.4
147.08025	2.3
147.11717	2.4
149.05957	8.1
149.13300	2.6
151.07547	6.6
152.06186	4.6
153.01900	2.5
153.06996	11.0
155.08490	1.7
157.06503	4.3
157.10123	3.7
158.85535	1.3
159.04440	5.5
159.08067	3.3
160.12422	1.5
161.02386	6.5
161.09566	1.9
162.03163	15.2
163.03914	14.3
165.07071	3.0
167.08598	6.4
169.06395	2.2
169.10199	1.7
171.04404	2.7
171.08057	2.9
171.11745	3.6
173.02354	100.0
173.13275	2.2
175.03877	3.2
175.11194	1.8
176.04677	1.7
177.05482	28.5
177.06898	1.5
181.06503	11.9
184.05034	1.7
185.05988	6.4
185.09633	3.4
185.13184	1.8
187.03935	10.7
189.09094	1.9
191.17967	1.6
195.08080	9.3
195.11841	1.8
197.06033	4.7
198.06807	4.9
199.03949	10.2
199.07533	4.0
199.11143	1.9
201.05519	3.8
207.06599	3.5
209.05975	3.6
213.05508	6.0
213.09113	12.4
213.16351	3.1
215.07048	50.8
215.14235	2.4
223.07513	5.7
226.06128	1.7
237.16246	1.5
241.08615	64.1
243.10458	2.7
244.11256	4.0
255.10258	2.0
255.17430	2.8
256.11374	1.9
271.12222	3.4
273.03787	4.9
273.07794	4.5
273.11212	67.1
273.13943	36.1
273.18402	19.8
273.25824	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	273.0971
Annotation	alpha-Arbutin
Peak:m/z	Relative Intensity
51.05299	1.4
53.03955	7.8
53.88144	1.5
55.01864	4.2
55.05519	12.3
55.85226	1.3
56.96566	5.2
57.03434	7.5
61.02937	7.1
65.03943	5.0
67.05518	8.3
68.99775	1.6
69.03441	51.0
71.01351	1.5
71.05005	4.3
71.48050	1.3
73.02930	3.9
79.05508	7.2
81.03431	40.7
81.07060	3.1
83.04996	41.7
85.02920	57.6
87.04472	1.8
89.03954	1.3
91.03976	1.6
91.05485	9.3
93.07034	2.4
95.04984	23.2
97.02906	36.7
98.97605	2.0
99.04473	8.4
103.05482	4.4
104.73798	1.4
105.07041	1.9
107.04974	10.3
109.02895	62.2
110.03645	1.3
111.04459	100.0
117.07024	1.7
119.04934	4.4
121.02875	2.4
121.06521	6.4
123.04443	9.9
124.99117	3.4
125.99430	1.8
127.03952	11.7
129.07008	1.8
131.04955	4.3
133.06483	2.2
135.04468	6.9
137.02351	3.3
137.05986	4.4
139.03938	17.4
141.05457	1.9
143.00171	4.6
145.05009	4.3
145.06517	2.8
147.04417	2.8
149.02251	2.1
149.06027	9.0
151.03915	5.9
153.05508	7.2
153.06979	2.2
163.03908	9.6
163.07587	1.7
165.05487	5.6
165.06812	1.4
169.04982	15.0
173.06056	1.8
175.02138	1.4
177.05489	7.8
181.06406	3.4
189.05553	1.9
191.03528	1.8
191.07045	2.5
195.06511	2.2
201.05563	2.2
207.06560	15.0
213.09045	1.5
215.04065	1.4
219.06615	4.6
231.01823	2.1
237.07556	5.2
237.72873	1.6
241.08713	2.2
249.02791	2.5
250.03259	2.1
255.08640	3.9
267.03928	2.2
273.03751	1.6
273.07211	2.5
273.09912	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Warburgin
Peak:m/z	Relative Intensity
51.69922	1.0
51.70184	0.9
53.03939	3.3
55.01872	3.0
55.05513	7.4
57.03425	1.7
57.07064	1.9
65.03966	1.5
67.05503	18.3
68.99780	1.1
69.03420	4.3
69.07068	13.1
69.22926	2.0
69.23335	9.4
71.05009	5.9
77.95442	1.0
79.05494	19.3
80.06228	1.3
81.03432	2.1
81.07056	22.4
82.87511	1.1
83.04978	3.4
83.08606	4.1
85.02905	1.6
85.06573	1.2
91.05480	11.1
93.07050	9.5
95.04965	4.8
95.08613	16.3
97.06532	37.6
97.10168	2.0
98.97607	2.2
99.00893	1.3
102.04701	2.7
102.84900	1.0
103.05482	5.1
105.03368	1.4
105.04575	1.6
105.07046	6.7
107.04966	1.5
107.08595	7.6
109.06501	2.9
109.10170	7.2
111.04460	2.5
111.08090	4.8
112.08860	4.2
115.05470	3.5
116.98623	1.3
117.06994	5.6
119.04957	2.3
119.08585	6.0
121.06499	4.6
121.10145	8.3
123.04404	1.3
123.11703	2.6
128.06239	2.3
129.06982	6.9
130.04132	2.7
130.06514	9.8
131.04942	4.3
131.08589	7.7
133.02861	8.9
133.10112	4.0
134.03685	2.1
135.04338	1.6
135.08008	2.1
135.11668	4.2
137.05971	1.7
137.09698	1.4
137.13234	1.3
137.75363	1.1
141.06970	3.1
142.07816	5.9
143.08566	6.5
144.08081	28.1
145.06485	2.1
145.10115	5.5
147.04393	7.2
147.08067	1.9
147.11758	1.7
149.05989	4.7
149.13277	2.0
151.07564	4.1
152.06215	3.0
153.01831	1.4
153.07031	10.5
155.08598	3.8
156.09352	1.4
157.06453	1.6
157.10130	14.7
159.04437	4.8
159.08109	1.3
159.11720	4.0
161.02335	2.9
161.06006	1.3
161.09584	1.7
162.03128	26.2
163.03876	4.1
165.07002	2.4
166.07782	1.9
167.08580	3.2
169.06438	2.5
169.07658	1.2
169.10124	1.7
170.07324	1.6
171.04353	1.3
171.08069	1.7
171.11690	5.3
172.08798	1.3
173.02348	100.0
173.09613	1.5
173.13254	2.7
175.07541	2.0
176.04709	1.9
177.05475	34.3
177.16391	1.3
181.06480	11.1
181.10126	1.5
183.11725	1.5
184.05176	1.8
185.06052	5.4
185.09622	3.2
185.13246	3.2
186.03123	1.8
187.03894	2.7
187.07498	1.9
195.08093	4.7
195.11708	4.3
197.06010	3.0
198.06718	2.8
199.03909	3.4
199.07607	1.9
199.11191	2.7
199.14772	1.1
209.05927	1.5
209.13284	2.3
212.56964	1.0
213.09074	8.0
213.12749	3.1
213.16415	1.2
215.07043	55.8
215.14221	1.3
217.12132	1.5
219.01686	1.1
223.07526	2.2
227.10745	1.7
227.14262	2.9
229.15887	1.7
237.22118	1.2
241.08575	18.1
243.10352	2.7
244.11331	6.7
249.02907	2.5
254.09660	1.7
255.10481	2.0
255.13803	2.0
255.17467	3.0
256.11215	2.4
271.12415	2.2
273.04001	4.2
273.07718	5.9
273.11188	74.3
273.13965	45.8
273.18170	12.3
273.25748	1.6
291.03903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04669	0.4
50.25010	0.3
55.01874	0.5
56.96562	0.7
60.24245	0.3
62.44538	0.3
65.03944	0.4
67.01871	2.6
67.33693	0.4
68.96986	0.3
68.99784	1.6
69.03437	1.9
70.39896	1.0
73.83401	0.3
74.28724	0.3
74.60969	0.3
75.22397	0.3
81.03424	0.4
83.01345	0.5
84.19569	0.4
85.02910	0.6
91.05486	6.5
95.04977	2.6
97.02891	2.3
98.21457	0.3
98.97594	0.3
107.04952	2.2
110.97568	0.4
111.00836	0.7
111.04456	0.4
119.04948	16.0
121.02855	0.3
121.06497	1.5
123.04427	4.2
126.31149	0.3
133.06488	0.4
137.02361	0.4
144.08119	0.4
147.04419	41.3
148.04811	0.3
149.05978	1.1
151.03949	0.6
151.07574	0.6
152.06226	0.5
153.01836	100.0
153.06911	1.8
154.02187	0.9
155.04926	0.4
163.07486	0.5
165.07014	0.5
167.08563	0.8
169.06439	0.3
171.02907	2.4
173.05956	0.3
176.07156	0.4
179.03419	1.1
181.06494	2.6
183.04414	0.7
189.05447	0.9
195.08070	1.3
197.09601	0.4
198.06720	0.5
199.07690	0.4
201.05473	2.4
205.53622	0.3
209.05925	0.4
213.05490	0.7
213.09131	2.4
223.07558	1.4
225.09233	0.3
231.06398	0.5
241.08633	2.0
243.10196	0.9
255.06635	1.0
273.07584	69.6
273.15857	1.0
274.07870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04668	0.3
53.03940	0.5
54.45691	0.3
55.01872	0.4
56.23336	0.3
65.03960	0.4
67.01880	2.5
68.99786	2.4
69.03439	1.9
69.99963	0.6
70.00370	1.4
81.03407	0.5
83.01355	0.5
83.04990	0.4
89.20784	0.3
91.04977	0.6
91.05492	6.8
95.04993	1.6
97.02875	1.2
107.04985	2.4
114.33628	0.3
119.04956	17.0
121.06497	1.1
123.04433	3.5
125.02355	0.4
128.06299	0.4
130.06602	0.3
131.04922	0.4
145.06476	0.4
147.04425	40.2
148.04852	0.4
149.06004	0.8
151.03976	0.5
152.06221	0.6
153.01842	100.0
153.06902	2.0
154.02188	0.7
159.09166	0.9
161.05986	0.4
171.02972	2.2
179.03455	0.9
181.06477	1.4
189.05444	1.2
195.07986	0.5
201.05452	0.5
209.06078	0.5
213.09105	1.1
231.06630	0.4
241.08577	1.1
245.09125	0.4
255.06544	0.9
273.07596	69.3
273.15924	3.3
274.04724	0.7
274.07858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01866	4.7
55.05515	43.4
57.03440	29.2
57.07072	3.2
65.03951	2.8
67.05512	52.6
69.03419	3.5
69.06745	2.3
69.07076	26.9
71.05000	12.8
71.08733	1.9
79.05499	27.2
81.07062	95.3
83.04970	4.4
83.08618	20.2
85.06550	9.0
91.04992	1.9
91.05493	24.9
92.53983	2.0
93.07051	29.6
95.04948	3.7
95.08614	100.0
97.06530	14.4
97.10166	5.2
99.08077	4.9
103.05427	1.8
105.06391	2.3
105.07037	22.1
107.04927	2.6
107.08599	11.1
109.02881	2.7
109.06506	2.2
109.10172	14.7
111.08063	5.4
115.05447	2.1
117.07047	2.8
119.08598	26.7
121.10128	6.0
123.08069	4.9
131.04964	2.2
133.10135	15.9
135.11684	6.4
137.09610	2.5
137.13280	7.2
145.10077	1.8
152.84705	1.4
153.07019	7.7
155.08562	4.8
159.11751	2.2
159.36757	1.5
161.13258	30.6
165.07018	20.6
168.05710	4.5
169.06400	2.3
179.14378	13.6
181.06473	4.2
182.07254	3.8
182.68332	1.7
183.08054	10.0
193.06482	4.1
196.05255	2.6
197.05902	1.6
198.06682	2.0
211.07565	14.0
221.06064	3.1
225.09116	3.1
239.07083	4.1
253.17987	2.9
256.09973	3.0
271.02240	1.6
271.05984	4.7
271.09619	27.6
271.12375	19.5
271.19046	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03938	1.3
55.05513	8.9
56.05040	1.0
57.03433	3.4
57.07067	3.9
65.03966	0.9
67.05510	12.9
69.07077	12.1
71.08619	1.1
71.49100	1.4
79.05141	0.9
79.05501	9.5
81.03426	1.0
81.07056	22.2
83.04946	1.0
83.08618	6.6
86.06063	1.4
91.05486	10.1
93.07047	17.7
95.04967	1.3
95.08615	28.0
97.10191	2.0
100.07625	0.9
105.07037	15.2
107.08598	23.0
109.09483	1.6
109.10168	19.3
111.08066	1.0
111.11714	1.8
115.05473	1.4
116.06242	0.9
117.07022	7.8
119.08590	26.8
121.10150	25.0
123.11718	11.1
129.07016	4.0
130.07840	1.5
131.08580	11.1
133.10139	15.3
135.08003	2.1
135.11732	8.9
137.13264	2.8
141.06985	2.0
142.07741	0.8
143.08583	3.0
144.05699	2.9
144.09317	1.1
145.06499	1.3
145.10121	21.0
147.08067	1.4
147.11700	12.1
149.13254	6.2
155.08585	1.5
156.09303	1.0
157.10172	2.6
158.10953	1.2
159.08070	33.5
159.11700	22.7
161.13252	14.8
163.14798	6.6
165.07100	0.8
169.10162	1.1
171.11671	3.3
173.09630	3.0
173.13272	13.3
174.14032	1.2
175.14822	12.4
177.16406	12.3
185.09631	4.0
186.14055	1.1
187.14853	14.2
189.16406	8.2
190.17160	2.4
201.16379	17.1
202.17075	1.1
203.18031	2.9
211.11209	1.4
213.16457	1.7
215.14456	1.2
215.17978	16.9
228.18771	1.8
229.19566	8.4
243.17542	1.0
243.21259	1.3
253.15781	2.7
254.24771	6.4
256.09689	1.1
271.05966	1.5
271.09851	1.4
271.12329	3.9
271.16983	22.9
271.24222	100.0
272.17352	1.0
272.25436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1693
Annotation	Trenbolone
Peak:m/z	Relative Intensity
51.79542	1.0
53.03949	1.9
54.42390	0.8
55.01886	4.0
55.02087	1.0
55.05511	10.5
57.03419	2.5
60.82044	0.8
65.03901	1.3
67.05186	1.0
67.05508	12.4
69.03419	1.6
69.07056	3.6
70.98984	0.8
71.04968	2.0
71.33489	1.5
77.03890	0.9
78.35858	0.8
79.05496	17.4
81.03423	1.7
81.07053	18.0
83.04971	2.5
83.08614	4.4
88.07642	1.4
89.97424	0.9
91.05483	19.8
93.07051	10.3
95.04967	2.9
95.08617	7.8
97.06531	0.9
97.10161	2.4
103.05476	1.0
105.07034	14.7
107.04954	2.8
107.08582	9.0
109.06506	3.5
109.10143	4.0
111.08063	2.5
115.05455	6.4
116.06221	2.1
117.07015	26.5
119.04945	2.3
119.08588	13.3
121.06482	2.9
121.10162	5.0
123.08055	1.5
128.06206	5.0
129.06998	12.7
130.07762	2.0
131.04918	2.7
131.08557	16.2
132.05701	1.1
133.06480	4.6
133.10129	5.8
133.14665	1.0
135.08066	13.8
137.09639	1.8
141.07001	6.0
142.07774	6.8
143.07500	1.3
143.08566	14.2
144.05707	11.4
145.06477	13.0
145.10127	12.2
146.07291	1.0
147.08047	6.5
147.11639	1.5
149.05989	1.8
149.09598	5.0
151.11172	1.5
153.07042	1.8
154.07751	1.5
155.06241	1.0
155.08531	7.9
157.06502	5.1
157.10118	14.8
158.07236	2.6
159.08055	100.0
159.11655	3.1
160.08310	1.1
161.09624	8.1
163.07550	1.2
163.11183	2.0
167.08493	1.9
168.09369	1.3
168.17389	0.9
169.10153	6.5
171.08051	3.6
171.11768	5.3
173.08131	1.1
173.09619	17.4
175.07513	4.6
175.11169	2.3
177.09093	1.0
179.08594	1.0
181.06566	0.9
181.10120	2.1
183.08046	2.3
183.11659	4.1
185.09630	8.0
185.13208	1.1
186.10324	1.1
187.07558	2.6
187.11136	3.9
189.09026	1.3
193.10127	1.5
197.09709	3.9
197.13275	2.0
199.11177	3.6
199.14868	0.9
201.09164	1.8
201.12714	2.0
203.10539	1.0
209.13289	2.8
211.11108	3.4
211.14771	3.3
213.12788	0.8
215.10657	1.1
215.17863	1.0
224.12210	1.0
225.12759	3.1
225.16371	5.4
227.14282	1.7
229.12268	2.2
229.15906	1.1
235.14842	4.6
243.17447	16.0
252.41876	0.8
253.15869	14.6
271.12250	3.2
271.16928	83.4
271.28244	1.5
272.17270	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	Amoenumin
Peak:m/z	Relative Intensity
51.02392	0.9
51.62523	1.0
53.03953	1.7
55.01884	5.2
65.03948	1.1
65.79154	0.9
69.03428	1.5
69.86513	2.3
69.86930	2.4
80.94872	1.1
81.07043	2.0
83.05654	1.0
85.81927	1.0
89.03893	1.7
91.05486	15.3
93.03420	1.0
95.04959	4.0
107.04937	4.0
109.06520	1.2
113.41454	1.0
115.05444	4.8
115.67802	1.0
117.03362	1.6
118.04133	2.9
119.04951	12.8
121.06515	5.2
122.03633	1.4
123.04433	1.6
124.05215	1.2
128.06230	1.6
129.07002	1.9
131.04880	1.0
133.02892	1.2
134.03606	1.4
135.04413	1.5
137.05965	8.9
140.06218	1.3
141.07024	7.4
145.06512	2.0
147.04344	1.5
149.05981	2.9
150.06770	2.8
152.06227	11.5
153.06999	39.2
154.07822	4.7
155.06078	1.0
155.08562	20.6
157.06477	4.4
165.07008	89.2
166.07813	1.6
167.08632	1.9
168.05698	15.8
169.06502	9.2
170.07265	2.6
171.07959	1.2
179.08575	1.4
180.05769	1.1
181.06497	20.7
182.07278	8.4
183.08061	44.3
185.06013	4.8
193.06340	16.1
193.07996	1.3
194.07269	2.5
195.08006	1.1
196.05170	8.9
197.06052	7.2
198.06741	2.4
198.14906	1.3
199.07520	2.8
200.08275	4.4
207.04445	3.8
209.06026	4.1
210.06775	6.2
211.07558	47.9
212.08353	6.0
213.05443	3.6
213.09067	1.4
215.10611	1.2
221.05965	14.4
225.09094	3.8
227.07039	1.6
228.07899	4.6
228.33633	1.1
239.07034	10.3
241.08557	1.0
242.09389	5.4
243.10127	5.8
253.08566	3.3
257.07932	2.1
264.34671	1.1
271.09662	100.0
272.10309	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	4.4
55.01872	2.2
55.05515	20.3
57.03160	1.9
57.03441	33.8
57.07063	5.4
65.03934	3.6
67.05511	76.4
69.07074	30.2
71.04996	6.2
71.47799	2.1
73.02924	1.3
77.03935	1.4
79.05501	44.9
81.03397	1.6
81.07064	100.0
82.34810	1.2
83.04986	9.5
83.08164	1.7
83.08629	20.5
85.06544	3.7
91.05489	23.2
93.07056	66.3
95.04971	5.5
95.08621	21.0
97.06537	15.6
97.10161	2.1
99.08104	4.9
102.09147	1.1
105.04481	1.5
105.07055	9.7
105.07655	1.9
105.26349	1.2
107.07881	2.3
107.08605	40.4
109.06542	3.0
109.10150	5.2
111.08109	8.5
113.06013	1.2
117.07039	8.9
119.08554	3.9
121.06561	2.2
121.09345	1.8
121.10157	25.8
123.11720	3.8
128.06213	1.3
129.07013	2.0
131.08588	11.7
133.10147	11.9
135.08057	3.3
135.11690	11.3
136.06160	1.5
139.11191	2.1
143.08559	3.3
145.10135	2.3
147.11674	2.9
149.09602	4.0
149.13274	47.5
151.11217	2.1
157.10139	5.6
159.11700	17.1
169.10149	1.6
171.11601	1.6
173.13295	1.4
177.12738	9.9
185.13304	2.0
187.14891	3.2
195.13802	14.2
199.14909	8.3
201.37550	1.2
205.15410	1.1
213.16414	3.8
232.51817	1.3
269.08160	1.7
269.17429	40.1
269.22470	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03937	0.3
55.01860	0.6
55.05519	2.9
57.03442	1.9
57.07066	0.3
63.51120	0.2
65.03949	0.4
67.01866	1.6
67.05510	5.0
68.99786	1.3
69.07076	3.1
69.30403	0.3
69.30801	1.5
69.46857	0.2
71.04980	0.9
79.05495	2.2
81.03421	0.4
81.06598	0.4
81.07063	7.2
83.04971	0.4
83.08617	1.7
85.06524	0.7
91.05489	4.3
93.07047	2.1
95.04967	0.5
95.08614	7.3
97.06535	1.3
97.10155	0.7
98.20808	0.4
99.08083	0.2
105.07032	2.0
107.04932	0.3
107.08624	1.1
109.02902	0.3
109.10164	1.5
111.08091	0.2
115.05434	0.4
117.07037	0.4
119.04948	5.9
119.08585	2.0
121.02876	1.6
121.06499	0.3
121.10116	0.8
123.08044	0.3
123.11701	0.4
125.09653	0.2
129.01849	0.2
129.07002	0.4
131.08589	0.6
133.10161	1.4
135.11720	0.6
137.05945	0.3
137.09602	0.4
137.13277	0.5
141.06999	0.9
143.08562	0.3
144.05754	0.3
145.02885	1.2
145.06479	0.2
145.10101	0.5
147.11632	0.5
152.06184	0.4
153.01840	11.7
153.06963	1.2
154.07838	0.3
155.08522	0.9
157.06522	0.5
157.10120	0.3
159.08070	2.4
159.11673	0.4
161.13284	2.7
163.03908	1.0
163.14902	0.2
164.27036	0.2
165.07013	2.7
166.59850	0.2
168.05754	0.4
168.08102	0.3
169.06529	0.6
171.02921	0.9
173.13309	0.3
179.14305	0.7
181.06473	0.7
182.07281	0.3
183.08055	1.4
183.10384	0.5
185.05980	0.2
185.09598	0.4
196.05231	0.4
197.06010	0.5
198.12718	0.5
201.16496	0.2
209.50246	0.2
210.06775	0.3
211.04060	0.2
211.07544	1.7
211.11220	0.4
213.10448	0.2
215.07040	0.2
215.17944	0.2
221.05986	0.6
225.05450	0.8
226.12314	0.8
227.11792	0.4
228.07773	0.2
228.12654	0.2
229.05077	0.7
239.06989	0.4
243.06531	1.0
243.10249	0.3
243.14899	0.7
247.06079	0.3
253.15829	0.5
255.11227	0.4
256.07303	0.3
256.09833	0.3
271.06024	100.0
271.12262	2.5
271.19113	3.9
271.23959	1.3
272.06375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	3.7
55.01863	4.0
55.05273	1.3
55.05516	19.8
57.03163	1.7
57.03443	33.2
57.07087	4.3
59.67110	0.8
61.87801	0.9
62.99127	0.8
65.03941	2.5
67.05510	71.5
69.03428	1.1
69.07075	30.5
70.11570	3.4
70.11950	1.5
71.01344	1.6
71.04999	7.9
71.08636	1.6
79.05500	45.2
81.03404	3.0
81.07061	100.0
82.07375	1.1
83.04990	10.8
83.08622	16.7
85.06544	5.6
90.37727	0.8
91.05485	21.9
93.07050	72.1
93.09995	0.9
95.04991	5.5
95.08611	25.4
97.06535	13.8
97.10184	2.3
98.15751	0.8
99.04446	1.0
99.08094	5.0
100.23121	0.9
103.05474	0.9
105.04564	0.9
105.07034	8.6
107.04970	1.7
107.07881	1.8
107.08601	34.5
109.06512	2.9
109.10161	3.5
111.08077	10.3
111.11678	1.4
113.09586	1.1
117.07026	9.0
119.08590	5.1
121.06532	1.4
121.10146	23.9
123.11697	2.8
127.07547	1.0
129.06981	1.2
131.08571	12.4
133.10138	9.0
135.08083	1.9
135.11688	9.8
139.11182	2.9
141.33064	0.9
142.07738	1.0
145.10133	1.2
147.11678	3.1
149.13268	52.2
150.13568	1.0
151.11198	1.1
157.10104	2.4
159.11703	20.1
161.13228	1.1
167.14354	1.4
171.11664	1.4
173.13109	1.0
177.12750	8.7
185.13293	1.6
195.13817	11.3
199.14876	1.2
213.16457	1.1
257.02408	0.8
261.28201	0.8
269.08218	1.8
269.13028	1.6
269.17496	38.9
269.22400	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	269.1752
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.26588	1.5
53.03947	3.4
55.01873	3.7
55.05522	22.7
57.03446	34.4
57.07078	5.1
61.92484	1.5
63.88483	1.5
67.05513	78.9
69.07079	36.0
69.07455	1.3
69.24599	1.7
70.73271	4.9
71.04996	5.6
71.08643	1.9
73.02938	3.1
79.05505	50.9
81.03410	2.0
81.07067	100.0
83.04987	10.5
83.08634	20.4
85.06545	5.7
91.05489	25.0
93.07053	71.4
95.04992	8.6
95.08622	25.1
97.06544	16.7
97.10166	2.6
98.21136	2.2
99.04425	2.1
99.08111	4.1
105.07021	12.1
107.08610	38.0
109.06526	4.7
109.10164	4.6
111.08092	7.5
111.11739	2.0
113.09681	1.5
117.07011	8.3
119.06098	1.5
119.08573	4.3
121.10164	24.1
123.11714	3.9
125.09655	1.9
127.07525	2.0
131.08574	13.8
131.09431	1.9
133.10132	11.8
135.11713	8.3
139.11220	2.2
143.08586	3.3
144.08083	2.4
145.10152	1.9
147.06065	1.5
147.11717	3.3
147.88428	1.5
149.09593	2.6
149.13277	50.3
151.03969	1.4
157.10181	2.2
159.11719	24.3
169.10081	1.9
177.12764	11.8
180.07869	1.9
180.09428	1.5
181.10201	1.8
187.03673	1.8
195.13815	11.1
197.42426	1.5
198.90080	1.5
215.76399	1.4
222.29730	1.8
223.12349	1.7
225.10266	4.4
241.08600	2.1
247.60516	1.6
269.08002	5.4
269.12787	10.0
269.17471	39.0
269.22714	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	269.1285
Annotation	Lysergic acid
Peak:m/z	Relative Intensity
53.03947	0.5
54.72414	0.3
55.01867	0.9
55.05490	0.4
56.06144	0.3
67.05486	0.5
69.03401	0.4
69.35516	0.3
70.16867	1.4
71.04980	1.2
79.05490	0.3
80.04995	0.5
81.03407	0.8
81.07059	0.7
91.05486	0.4
93.07036	0.5
96.04471	0.5
99.04438	0.6
108.04457	1.5
110.08776	0.3
117.06974	0.4
118.06508	0.5
130.06522	2.7
132.08032	0.3
143.06168	0.3
143.07289	1.0
144.08086	8.4
145.06458	0.8
154.06482	1.0
156.08029	0.5
159.11592	0.3
167.07159	0.4
168.08086	0.9
169.07600	3.9
170.08362	2.1
170.09645	0.4
171.09221	1.6
172.54605	0.3
180.08109	2.1
182.09718	0.5
194.09662	0.8
195.09204	0.6
197.07056	0.4
197.10698	1.9
198.09134	0.3
206.08299	0.5
207.09206	2.7
208.09929	5.6
211.08725	0.4
213.10228	2.9
215.08113	0.5
221.10800	1.0
222.09073	0.7
223.08725	0.4
223.12358	1.2
224.07532	0.3
224.09171	1.7
225.10231	36.2
226.10788	0.6
233.10670	0.5
234.11554	0.5
237.09084	0.9
240.10117	0.5
243.12201	0.3
251.11772	4.2
251.15561	0.5
252.10020	0.4
269.12851	100.0
270.13263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.133
Annotation	cinnamoyltyramine
Peak:m/z	Relative Intensity
53.03939	1.2
67.05479	0.8
69.07034	0.7
70.06606	0.7
71.49583	0.7
79.05498	28.2
81.07069	0.8
89.89275	0.6
91.05476	2.5
93.07067	3.1
95.04954	1.3
95.08579	1.1
103.05472	59.3
105.07034	3.1
106.06506	0.6
107.04960	29.9
107.08599	1.4
109.06558	0.5
111.08071	2.0
118.06583	1.2
119.08587	1.2
120.08109	65.9
121.06520	2.0
124.03962	2.4
129.06992	0.9
130.06526	4.4
131.04944	19.3
131.07327	0.8
132.08092	1.1
136.06186	12.1
137.03481	0.6
137.09601	0.8
143.07361	0.8
144.08098	7.3
149.05980	1.9
156.08081	3.3
158.09676	1.0
167.07303	1.1
168.08067	2.6
169.08897	0.8
170.09750	1.3
177.07942	0.8
180.08061	1.6
181.08781	1.4
182.09663	2.8
193.08905	1.5
194.09657	2.7
195.10408	1.3
196.11195	1.6
206.09683	0.6
208.11298	4.4
209.12077	1.2
222.09233	1.3
222.12759	2.4
223.13593	0.9
224.14394	4.0
225.10222	0.9
234.12865	0.9
235.13541	0.9
250.10620	1.7
250.15906	2.4
253.08275	0.7
268.13333	100.0
268.16919	27.6
269.13080	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	268.1544
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
53.03947	0.6
55.01877	0.8
56.96555	0.4
57.03453	0.5
69.42625	2.0
69.43033	0.7
70.06570	0.5
70.18388	0.3
71.04996	17.2
71.94122	0.3
72.08168	0.5
75.58805	0.4
79.05511	0.6
81.03424	0.9
85.02934	0.4
86.09730	0.4
87.04475	0.8
91.05476	0.6
95.04973	0.5
99.04454	10.4
103.44492	0.3
106.06495	0.6
107.04942	1.1
108.08130	0.6
109.06535	0.3
110.06094	0.6
111.96871	0.6
117.03390	0.7
117.05512	1.2
118.06567	0.6
120.08108	66.1
121.06496	0.7
122.06016	0.6
122.08775	0.4
122.09663	0.4
124.03938	0.6
125.06223	0.4
130.10239	0.3
131.03401	0.5
133.08920	0.4
136.06195	19.0
138.05565	0.4
138.09134	1.3
141.36545	0.3
146.09636	2.6
152.10707	20.6
157.97696	0.5
160.07579	1.1
163.03960	1.8
164.07039	0.9
178.08650	2.0
181.04381	0.6
190.08612	2.5
192.10129	0.5
194.11772	1.2
198.98912	0.4
206.11641	0.6
208.09703	7.2
210.07616	0.5
217.00053	0.4
218.11748	1.2
222.11169	0.5
236.09314	0.4
236.12822	6.9
237.13660	0.6
238.10782	1.2
244.99524	0.6
245.99339	0.8
250.14444	1.7
268.12021	4.6
268.15436	100.0
269.15659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.118
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
55.38208	0.7
57.03430	1.4
68.82853	0.7
69.03417	1.1
70.01136	1.4
70.01521	1.7
71.01364	0.7
84.38838	0.6
85.02906	16.1
87.04479	2.9
91.05465	1.0
93.05799	0.9
93.07048	1.0
94.06591	1.1
101.00883	1.2
106.06549	5.0
107.04978	3.1
107.07382	0.9
108.04475	1.0
108.05328	1.8
108.08101	4.9
110.06045	0.7
111.54928	0.7
118.06551	5.5
119.01898	0.8
119.07353	1.5
120.08111	27.0
120.08956	1.5
122.06086	1.4
136.06194	72.1
136.07558	3.6
138.09135	16.9
146.06015	2.8
146.09644	4.0
152.10709	0.9
156.05756	1.0
160.07642	2.1
162.09204	1.1
164.07072	13.5
178.07256	1.7
178.08701	2.3
180.90707	0.7
182.08270	3.9
190.08623	8.2
191.09448	0.8
192.10207	38.0
194.08246	1.8
208.09692	13.9
218.08104	1.2
224.12900	0.7
236.09190	35.9
237.00420	0.7
245.05298	0.8
256.51089	0.7
263.02939	2.0
268.11880	100.0
269.12231	1.3
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
55.01875	0.4
57.03421	0.7
58.90664	0.2
69.03436	0.3
70.48597	0.2
71.01363	0.3
71.32680	0.3
73.02902	0.3
78.21548	0.2
85.02908	3.8
87.01479	0.2
87.04459	0.7
91.23045	0.2
94.04057	0.4
106.06560	0.8
107.04958	0.5
107.07362	0.3
108.08132	1.0
119.03547	0.8
120.08134	0.5
131.03380	0.3
135.04420	0.2
135.06964	0.2
136.06190	100.0
137.04608	0.4
138.09143	4.0
146.09666	0.9
160.07628	0.6
163.03932	0.4
164.07043	0.4
178.08611	1.1
182.08131	0.3
190.08607	0.2
192.10236	0.2
208.09683	2.3
217.85818	0.2
236.09236	0.2
268.10684	2.7
268.11734	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	268.118
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
52.50660	0.4
56.89117	0.5
69.63642	2.3
71.04945	0.4
73.50983	0.4
84.08793	0.5
105.06999	1.3
117.05713	1.8
120.08107	11.1
130.06491	0.6
131.07295	0.7
132.08099	2.1
133.08853	2.1
136.06190	15.4
138.09137	0.6
146.09650	39.8
160.07588	24.6
162.09126	0.5
164.07013	0.5
178.08635	46.6
190.08647	4.8
208.09688	100.0
209.10031	1.4
211.34116	0.5
222.11212	0.5
236.09219	1.7
268.11829	47.1
268.15286	2.9
269.12057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84692	0.6
58.82094	0.6
70.26672	1.1
70.27057	1.0
73.02850	0.5
73.54914	0.5
84.55795	0.5
85.02889	0.8
90.87447	0.5
91.05464	0.8
95.79671	0.5
105.07024	2.3
106.06532	1.2
117.05756	2.0
118.06552	1.0
119.03566	0.7
120.08109	15.7
130.06564	0.6
132.08081	1.6
133.08887	1.7
136.06187	80.5
138.09065	0.8
146.06001	2.1
146.09648	42.4
160.07585	23.1
162.09111	0.6
163.03906	1.2
164.07097	6.0
168.06554	0.7
178.08640	46.5
179.09094	0.8
190.08607	8.1
192.10239	2.2
201.80119	0.6
208.09692	100.0
209.10075	1.2
236.09218	6.3
268.11853	63.1
269.12299	0.9
285.36938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.18591	0.5
53.03953	4.1
53.83798	0.5
55.01873	2.3
55.05512	6.5
57.03158	1.0
57.03441	19.0
58.73894	0.5
59.05004	0.6
60.65247	0.6
65.03943	0.7
67.05513	11.2
69.03437	2.0
69.07070	2.4
70.64102	1.4
71.05008	1.1
78.52886	0.5
79.05067	1.2
79.05501	12.0
79.05970	0.7
81.03422	100.0
81.07060	10.3
83.04987	6.3
83.08622	13.8
85.06560	0.8
86.58822	0.5
91.04919	0.6
91.05487	18.1
93.07048	7.7
95.04970	21.4
95.05577	1.1
95.08598	3.2
97.02897	1.6
97.06534	0.5
97.10196	1.4
99.08080	0.7
105.07037	13.3
107.04957	5.5
107.08609	2.6
109.06519	2.8
109.10175	1.3
111.04453	1.0
111.08081	5.9
115.05439	1.9
117.07024	1.6
118.48281	0.6
119.08592	10.3
121.06522	2.2
121.10132	4.1
123.08099	2.1
125.09640	0.6
129.01770	0.6
129.07014	8.6
131.08578	6.6
133.06491	1.9
133.10146	3.8
137.09634	1.4
142.07780	1.9
145.10120	0.7
147.08067	2.2
147.11699	7.6
149.09641	4.4
157.10144	8.1
163.11198	0.8
165.12750	2.6
175.11159	10.0
175.12534	0.7
193.12250	20.2
205.12288	0.8
211.13290	2.4
223.13326	0.6
238.33444	0.6
249.14917	1.3
267.15924	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.34021	0.8
51.03099	0.8
53.03950	4.0
55.01869	2.3
55.05508	5.6
57.03157	1.1
57.03437	21.5
57.66582	0.7
67.05180	1.1
67.05507	11.8
69.03429	2.3
69.07066	2.5
71.04997	1.3
79.05497	10.1
81.03419	100.0
81.07059	10.4
83.04980	4.7
83.08617	13.6
91.05480	17.3
93.07047	8.9
95.04968	20.8
95.08595	4.9
97.02890	2.0
97.06528	1.8
97.10178	1.9
105.07035	12.9
107.04961	2.9
107.08605	3.0
109.06528	2.3
109.10165	1.5
111.04436	1.6
111.08090	6.0
115.05505	0.8
117.07007	1.5
119.04960	0.9
119.08583	10.8
121.06524	1.7
121.10151	5.6
123.02098	0.7
123.08034	1.2
125.37455	0.8
129.07007	7.0
131.08577	6.2
133.06490	2.3
133.10133	4.0
142.07739	1.6
145.10089	1.3
147.08054	2.5
147.11710	6.4
149.09605	3.3
157.10136	7.8
158.61098	0.7
163.11211	0.8
165.12770	2.3
175.11200	9.3
193.12251	20.5
211.13315	2.5
218.98557	0.9
249.14926	1.3
267.15927	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03949	3.3
55.01873	1.8
55.05507	6.6
57.03440	19.9
62.44577	0.7
65.03943	0.8
67.05508	11.5
69.03429	1.2
69.07072	2.9
71.05010	1.2
79.05495	12.4
81.03420	100.0
81.07055	12.9
81.70360	0.7
83.04980	5.2
83.08620	13.4
90.27216	0.7
91.05489	16.6
93.07044	7.1
95.04973	18.3
95.08614	3.8
97.02901	2.1
97.06519	1.0
97.10168	1.2
98.20763	1.2
105.07036	11.5
107.04962	4.8
107.08619	2.4
109.06514	3.8
109.10198	1.1
111.04427	1.4
111.08064	4.9
115.05441	1.3
119.08592	10.2
121.06512	2.3
121.10121	3.9
123.08130	1.3
129.07002	7.8
131.08546	6.6
133.06512	2.1
133.10139	3.2
137.09613	1.0
142.07787	1.8
145.10120	1.8
147.08026	2.3
147.11674	6.4
149.09666	3.7
157.10127	8.4
165.12785	1.7
175.11189	8.1
193.12231	17.4
211.13298	2.3
223.90308	0.7
249.14937	0.8
267.15912	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	267.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01880	1.9
55.05516	5.9
57.03440	20.4
57.07086	1.2
67.05508	11.0
69.03432	1.9
69.07068	3.2
69.86214	2.4
69.86644	1.4
71.04980	1.6
71.08645	0.7
79.05074	1.0
79.05496	12.2
81.03421	100.0
81.07061	12.3
81.68571	0.7
83.04978	5.0
83.08626	13.6
91.05484	17.6
93.07053	6.2
95.04377	1.2
95.04971	18.9
95.08615	5.2
97.02907	2.6
97.06525	2.0
97.10198	1.7
98.98469	1.3
103.05419	0.7
105.07041	13.6
107.04971	6.2
107.08601	2.6
109.06511	2.9
109.10149	2.0
111.04438	1.5
111.08079	5.8
115.05475	0.7
117.07008	1.2
119.08588	11.8
121.06528	1.9
121.10140	3.8
123.08044	1.7
128.06267	1.1
129.07011	6.6
131.08577	7.5
133.06496	1.8
133.10143	3.3
137.09628	1.5
142.07799	2.1
145.10167	1.3
147.08040	2.4
147.11707	6.3
149.09621	3.9
157.10136	10.0
165.12749	1.8
174.02724	0.7
175.11195	8.7
183.11736	0.7
193.12244	15.9
211.13281	2.4
249.14832	1.4
252.24666	0.6
267.15924	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1129
Annotation	URB754
Peak:m/z	Relative Intensity
55.01881	0.3
55.05516	0.4
67.05489	0.4
69.03424	0.7
78.68016	0.3
81.03419	1.0
81.07071	0.3
94.04201	1.5
95.04953	0.7
99.49780	0.3
105.07009	0.4
107.05001	0.6
108.05725	0.3
109.06560	0.3
111.04353	0.3
115.05451	0.8
117.07060	0.7
123.04444	0.5
124.03961	3.0
129.07010	0.5
130.06517	1.1
142.06503	0.4
143.07332	0.9
144.08093	14.9
150.04327	0.5
150.05511	6.7
155.06053	0.8
156.08096	0.4
167.07320	0.6
168.08154	1.5
169.07570	2.0
171.09192	4.0
180.08084	1.3
181.08824	0.5
182.08325	0.7
182.09747	0.7
192.08165	0.5
193.07629	0.8
194.09679	2.3
195.09213	0.5
204.08109	2.0
206.08369	2.3
207.07268	0.4
207.09198	2.9
208.09937	2.1
209.10643	1.4
218.56577	0.3
219.09242	0.6
220.07622	0.3
220.09929	0.7
221.10696	4.4
222.09120	1.7
222.11012	0.3
223.12306	0.5
226.08728	0.5
231.09184	0.7
232.07544	0.4
234.07942	0.8
235.08649	1.5
236.09390	0.5
238.08600	0.4
239.11674	0.5
240.10161	0.4
248.09460	0.5
249.10158	1.7
250.08662	0.5
250.10994	0.9
252.08929	1.9
267.11301	100.0
268.11731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	3.6
55.01880	1.9
55.05516	5.9
57.03440	20.4
57.07086	1.2
67.05508	11.0
69.03432	1.9
69.07068	3.2
69.86214	2.4
69.86644	1.4
71.04980	1.6
71.08645	0.7
79.05074	1.0
79.05496	12.2
81.03421	100.0
81.07061	12.3
81.68571	0.7
83.04978	5.0
83.08626	13.6
91.05484	17.6
93.07053	6.2
95.04377	1.2
95.04971	18.9
95.08615	5.2
97.02907	2.6
97.06525	2.0
97.10198	1.7
98.98469	1.3
103.05419	0.7
105.07041	13.6
107.04971	6.2
107.08601	2.6
109.06511	2.9
109.10149	2.0
111.04438	1.5
111.08079	5.8
115.05475	0.7
117.07008	1.2
119.08588	11.8
121.06528	1.9
121.10140	3.8
123.08044	1.7
128.06267	1.1
129.07011	6.6
131.08577	7.5
133.06496	1.8
133.10143	3.3
137.09628	1.5
142.07799	2.1
145.10167	1.3
147.08040	2.4
147.11707	6.3
149.09621	3.9
157.10136	10.0
165.12749	1.8
174.02724	0.7
175.11195	8.7
183.11736	0.7
193.12244	15.9
211.13281	2.4
249.14832	1.4
252.24666	0.6
267.15924	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1129
Annotation	Miroprofen
Peak:m/z	Relative Intensity
53.01579	0.2
53.03934	0.5
55.01860	0.3
55.05515	0.8
56.05033	0.4
57.03434	1.9
65.03918	0.3
67.05501	2.0
68.05009	0.3
69.03427	0.3
69.07047	0.6
71.04961	0.2
79.05493	2.0
80.05021	1.2
81.03419	8.9
81.07059	2.4
82.02927	0.4
83.04992	1.0
83.08619	1.1
85.06552	0.2
91.05481	2.3
93.07063	1.2
95.04977	2.0
95.08598	0.9
96.04466	0.2
97.02879	0.2
97.10163	0.2
97.52892	0.2
100.03961	0.5
103.05457	0.2
105.07032	1.7
106.06542	1.1
107.04935	0.5
107.08593	0.4
109.06529	0.4
109.10157	0.4
111.08074	0.8
115.05445	0.4
117.05757	0.2
117.07034	1.4
118.06548	0.2
119.08600	1.2
120.04456	0.4
121.06461	0.3
121.10155	0.7
124.03957	1.3
129.07018	1.3
130.06541	1.9
131.08553	0.8
133.06500	0.3
133.10110	0.8
142.06500	0.7
142.07616	0.2
143.07317	1.4
144.08087	19.7
145.10089	0.2
147.11687	1.5
149.09576	0.3
153.06996	0.6
154.06474	1.0
155.06068	0.4
155.07320	0.3
155.08551	0.3
156.08084	0.9
157.10161	1.0
165.12712	0.4
167.07289	1.4
167.08536	0.3
168.08109	3.0
169.07617	1.6
171.09117	0.2
175.11166	0.8
180.08093	4.2
181.07487	0.3
181.08852	0.6
182.08389	0.7
182.09677	0.5
191.07312	0.4
192.08112	1.0
193.08951	0.4
193.12228	1.5
194.09691	3.9
195.09186	1.4
197.10728	0.3
197.11572	0.2
197.13222	1.2
199.08682	0.2
204.08095	1.0
205.08879	0.2
206.08269	2.9
206.10100	0.2
207.09193	2.8
208.09966	3.7
210.09096	0.2
211.13235	0.3
219.09193	1.3
220.07614	0.4
220.09955	0.6
221.10741	37.1
222.09306	0.3
222.11398	1.4
223.12303	16.0
224.07115	0.3
224.12671	0.3
225.16444	0.2
231.09392	0.2
234.07895	0.4
239.08145	0.4
249.10245	2.4
250.07326	1.0
251.08215	0.5
252.08943	0.9
252.18689	0.2
265.06897	0.2
265.07495	0.1
265.09738	5.0
267.11285	100.0
267.15948	4.8
267.20700	1.7
268.11658	1.1
271.52689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11589	0.3
55.01882	1.0
55.05525	0.9
59.05017	0.6
62.16043	0.4
65.12479	0.4
68.08772	0.4
69.07082	2.7
69.32627	2.0
69.33054	1.3
73.02927	3.6
73.06567	2.4
81.03455	0.4
82.07400	0.4
91.05522	0.5
92.04969	0.5
97.02924	0.5
104.46000	0.4
110.06033	0.4
111.29135	0.5
118.06573	0.7
120.08121	56.9
121.08479	0.7
122.06016	0.9
122.09670	0.6
152.10730	9.9
152.11876	0.9
153.11087	1.0
183.02951	0.4
215.23010	0.4
234.14925	21.4
235.15598	1.0
236.12837	1.5
266.17538	100.0
267.17963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49047	0.6
53.03933	1.0
56.47161	0.5
56.96568	1.2
67.05487	1.8
68.98287	2.4
70.06593	1.3
70.30556	1.2
70.30916	1.2
70.99857	0.7
72.08139	3.6
79.05489	4.0
81.03408	1.5
82.99857	2.6
84.04529	0.7
85.01405	2.8
85.02912	1.7
86.99328	2.0
91.05495	0.7
91.59428	0.7
93.07044	0.9
95.04966	6.9
95.08617	0.6
97.01372	0.8
98.97587	2.2
101.00886	17.4
102.00908	0.7
102.05523	0.8
103.02442	2.4
104.23158	0.6
105.00363	1.1
105.07034	2.2
107.04957	100.0
111.02948	2.3
113.00909	1.0
116.98627	0.9
119.01925	21.6
119.04875	0.7
120.08102	1.6
121.06526	1.2
123.02940	1.7
123.08034	1.1
123.81617	0.6
127.02377	0.7
129.03961	5.0
130.04980	6.2
131.01897	2.3
135.02916	1.5
135.04488	1.0
137.02946	2.0
137.04477	7.4
138.09164	6.1
139.02451	0.6
141.03979	2.9
147.05017	1.4
149.05998	1.1
150.05515	1.2
152.10666	0.9
153.03990	3.3
155.05530	30.2
156.05698	0.8
157.03532	1.1
158.89851	0.7
160.00093	0.7
163.02774	0.7
163.03882	3.1
163.06085	2.0
165.04012	2.4
171.05026	12.7
173.06624	6.8
177.00993	0.9
178.01007	3.2
179.05510	3.6
181.03558	1.0
181.07108	28.6
182.07361	1.8
183.05074	2.8
185.02945	0.9
189.04077	0.8
189.06154	2.4
197.02980	2.8
197.06578	6.5
199.08162	14.7
207.05063	11.6
215.04047	2.5
215.07591	1.2
219.02029	0.9
220.02145	2.8
221.03021	0.7
221.06612	1.1
223.04707	1.3
223.08163	9.5
225.06088	10.9
241.09181	1.7
243.07202	2.5
244.02280	3.3
244.04410	1.0
249.06123	9.0
261.03156	2.1
262.03195	19.7
263.02887	1.5
267.07178	20.1
267.13409	0.8
285.08231	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	267.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
58.82418	0.6
58.99862	1.3
61.02924	0.7
67.05510	1.6
68.98303	2.6
69.03410	1.7
69.71311	2.5
69.71703	1.2
72.08173	3.8
77.00888	0.9
78.83896	0.8
79.05508	4.0
81.03423	1.7
82.99872	2.7
85.01402	3.3
85.02890	1.0
86.99335	1.7
91.05501	1.1
95.04976	7.1
95.08605	0.7
96.45512	0.7
97.02901	1.3
98.20781	0.9
101.00887	17.6
103.02451	2.5
105.00358	1.2
105.07030	1.5
107.04964	100.0
108.05280	1.4
111.02938	2.7
113.00879	1.7
119.01932	21.0
120.08145	1.6
121.06493	1.0
122.57762	0.7
123.02950	1.2
123.08125	0.7
129.04018	5.8
131.01936	2.8
131.04898	0.7
135.02956	1.5
136.06197	1.1
137.02954	1.9
137.04485	7.8
138.09189	1.1
138.96437	0.8
139.02470	0.9
141.04001	2.7
147.05031	2.0
149.05998	0.9
153.03966	4.0
155.01900	1.2
155.05548	26.4
156.97505	2.4
157.03468	1.1
161.02965	1.0
161.04385	1.2
163.03951	2.3
163.06053	2.4
165.04022	2.5
169.03581	1.0
171.05049	14.9
173.06616	8.8
174.98557	0.7
178.07162	0.9
179.05617	2.1
181.03548	1.1
181.07120	27.9
182.07146	0.7
183.05121	3.4
189.04034	1.1
189.06133	2.7
197.02966	2.2
197.06589	7.4
199.08185	14.1
205.07098	1.9
207.05020	10.3
215.04068	2.7
215.07709	1.2
221.03043	2.1
221.06589	1.3
223.04802	1.0
223.08173	10.3
225.06094	11.3
241.09258	1.8
243.07272	2.2
249.06058	8.0
267.07196	19.1
268.11786	1.6
269.17328	0.8
285.08276	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99691	0.3
53.03957	0.3
55.05520	0.6
59.05018	0.5
61.02940	1.8
63.30715	0.3
70.35217	0.3
70.55402	0.3
71.05004	2.1
71.48111	0.4
71.48490	0.4
79.05507	1.1
80.45546	0.3
81.07059	3.1
94.04041	1.5
107.04965	0.5
107.08620	0.4
108.05264	0.4
110.55145	0.3
119.03535	2.6
120.08110	3.2
133.06511	0.4
136.06194	100.0
137.04593	1.3
146.06776	0.4
152.10690	0.7
163.03951	0.4
207.06523	0.6
210.66995	0.3
222.14833	1.3
232.93546	0.3
234.13501	18.0
252.32448	0.3
254.34669	0.4
266.16086	43.7
267.16251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1754
Annotation	Ficuseptamine A
Peak:m/z	Relative Intensity
52.47994	0.4
55.01865	0.4
55.05505	0.7
56.96563	0.6
57.20949	0.4
59.04996	0.9
67.05509	0.5
69.07072	4.0
70.53046	0.5
70.53382	1.0
73.06558	2.4
75.76993	0.4
80.69331	0.4
81.03433	0.5
93.07085	0.6
105.07026	0.4
107.04999	0.5
107.08602	0.4
110.06059	0.8
118.06579	0.9
120.08115	81.6
121.08398	0.6
122.06039	0.9
122.28260	0.4
137.05995	0.6
152.10722	24.8
199.25288	0.4
222.07756	0.5
234.14929	8.8
255.93378	0.4
266.17532	100.0
267.17850	1.3
283.23303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20901	0.6
56.34713	0.6
69.28457	4.6
69.28875	1.4
70.92844	0.6
81.03384	0.7
87.00829	2.2
88.16170	0.7
91.05463	1.2
93.07032	1.9
98.21609	0.7
103.05465	5.3
107.04948	1.4
109.10113	0.6
118.06549	11.2
120.08102	100.0
121.06530	1.5
121.08472	0.9
128.04932	0.8
130.06477	0.7
133.28653	0.6
133.29651	0.6
135.08168	0.7
135.75217	0.7
144.08080	0.8
146.06006	12.7
180.10255	1.9
188.07079	18.9
195.90906	0.7
197.87300	0.7
206.08119	66.1
216.06509	0.9
234.07663	0.9
248.63907	0.7
266.09949	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76488	0.5
56.96574	0.8
70.19718	2.2
71.01353	0.8
83.35963	0.6
85.00326	0.6
86.06091	0.6
87.04477	10.4
91.05479	2.4
93.07044	0.9
103.05471	0.6
107.04952	0.9
110.06070	0.8
115.05467	1.0
116.98526	0.5
117.05715	0.8
117.07022	0.8
118.06540	2.8
119.07331	1.1
120.08119	30.6
121.08427	0.6
130.06532	1.6
131.07324	0.9
133.08893	0.6
135.04433	0.6
136.07603	1.2
142.06529	2.2
144.08110	5.8
146.09651	8.2
148.07556	2.1
163.03918	1.8
163.06366	1.0
164.07068	2.1
176.07014	0.6
180.10248	0.7
188.07083	32.9
189.07829	2.1
190.08649	100.0
191.09059	0.8
192.06496	4.2
206.06645	0.3
206.08145	14.9
206.11768	17.5
207.06526	1.1
216.06581	3.3
222.11215	1.1
234.07628	73.2
234.11432	2.3
248.09308	0.7
252.36934	0.5
266.10245	68.2
266.13840	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
55.01872	2.0
55.05507	4.8
56.96552	2.0
57.07058	4.9
59.04998	2.1
63.65307	1.4
65.03946	2.3
67.05489	6.1
68.99800	1.6
69.03440	8.3
69.22707	7.4
69.23142	6.6
70.50845	1.4
70.85279	1.4
71.00173	1.4
72.62704	1.7
77.68388	1.7
79.05484	6.2
81.07045	6.2
83.04981	27.5
85.06552	2.7
91.05487	8.7
93.07043	9.3
95.04978	9.2
95.08601	5.8
97.02888	2.9
97.06514	2.6
103.05476	1.6
105.07029	8.7
105.30981	1.6
107.08598	17.2
109.02840	2.2
109.06506	6.1
109.10121	3.7
111.04451	16.1
111.08080	4.8
113.05994	7.8
115.05460	3.7
117.07029	9.3
119.08573	11.0
121.02871	2.4
121.06506	12.5
121.10104	2.0
123.08057	6.4
125.09650	4.5
129.07018	4.0
131.08548	5.3
133.10123	2.7
135.04428	1.6
135.08051	30.5
135.90445	1.6
137.06003	1.8
137.09569	3.9
143.08539	3.7
144.09341	2.6
145.06462	11.5
145.10095	5.2
147.08066	4.6
149.05966	3.6
149.09648	7.7
151.07544	2.8
153.09093	7.4
155.15077	1.5
159.08023	5.3
159.11703	7.2
161.09666	3.9
163.03934	1.5
163.07556	24.8
163.11171	4.6
165.07011	2.8
165.09119	4.3
166.07761	2.4
167.07225	3.1
170.10921	1.9
172.08830	3.8
173.05948	6.4
173.09589	3.8
173.13293	6.4
177.12788	3.5
180.52170	1.5
181.04964	5.6
182.08405	2.8
183.11694	3.4
186.10344	3.5
187.07536	2.9
187.11198	17.5
190.06285	2.0
191.07004	10.3
192.08105	2.8
194.07137	2.0
195.09230	2.7
196.09019	1.5
201.12784	14.3
205.06570	2.4
205.08553	3.5
205.12282	5.8
206.08324	3.4
207.09218	5.9
209.08008	3.0
211.11093	3.1
219.09224	2.6
219.13722	7.3
221.07159	1.7
229.12234	16.9
235.08653	2.8
237.06729	1.8
237.10349	3.0
245.38232	1.6
247.13298	45.7
248.05573	2.2
250.07254	6.6
263.08173	35.1
265.09695	100.0
265.13766	21.0
266.09808	1.6
281.09271	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	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03942	1.7
55.05515	10.0
57.07080	14.5
65.03934	2.6
67.05506	99.9
69.07074	10.7
71.04978	1.5
79.05489	15.5
81.03401	3.2
81.07058	100.0
83.04964	2.2
83.08604	4.5
85.06531	4.1
87.31921	0.9
91.05468	4.9
93.06563	1.3
93.07050	13.2
95.04968	1.5
95.08609	81.9
97.06543	1.8
97.10178	3.2
105.07024	4.4
107.04955	3.1
107.08580	8.8
109.06500	1.9
109.10160	63.5
111.08020	1.0
115.05414	1.0
117.07026	1.6
119.08584	3.6
121.10137	7.4
123.08039	3.2
123.11719	30.2
131.08557	5.6
133.10129	3.6
135.04440	1.4
135.08061	1.7
135.11684	5.6
137.09604	1.5
137.13304	5.5
141.07025	1.1
143.08585	1.1
145.10103	4.3
147.08028	1.8
147.09312	0.9
147.11636	2.1
149.09633	2.6
149.13231	4.7
151.11159	2.1
151.14781	2.6
158.07288	1.7
159.07930	1.3
159.11720	2.4
161.05972	1.1
163.11127	3.1
163.14819	1.7
165.12755	1.4
173.05974	2.0
173.09669	5.1
173.13251	2.5
177.12737	1.2
181.08603	2.4
181.12270	1.8
187.14864	1.7
189.09094	3.8
191.07036	1.9
191.10635	1.5
191.14380	1.9
195.13788	2.8
201.09146	7.3
204.11436	1.0
205.08611	2.0
209.15334	3.6
216.11455	16.6
217.08519	3.3
217.12106	1.2
223.16853	2.2
229.19521	1.4
229.22734	1.3
232.10954	3.8
235.13338	1.1
247.13322	15.8
247.20621	4.2
263.08176	5.1
265.09753	18.1
265.14008	4.6
265.18033	12.3
265.21600	59.5
279.80518	1.0
281.09280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,5abeta,7alpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	1.6
59.05002	20.6
60.49235	1.4
67.01533	1.2
67.05492	4.7
69.07053	1.7
69.42580	8.4
79.05483	2.0
81.03436	1.3
81.07043	2.7
85.06548	1.2
91.05472	4.5
92.26195	1.1
95.08606	2.0
97.88828	1.3
98.20721	1.1
100.34447	1.5
107.04985	2.6
107.08583	1.4
108.05700	1.3
109.10191	1.3
117.07081	1.3
121.06571	1.7
123.04512	1.4
123.08051	1.7
128.06230	1.5
129.07025	1.6
131.04901	3.4
132.05702	4.1
133.06503	1.3
136.05157	7.1
137.02251	1.3
137.05988	2.7
138.06757	2.2
143.08617	1.5
145.06473	2.3
145.10143	2.7
146.07243	2.8
147.04385	1.1
147.08086	4.4
148.05174	8.2
149.05981	1.6
151.03918	2.6
151.07584	3.5
154.06271	3.3
155.08560	1.5
158.07242	3.4
159.04401	1.9
159.08035	3.3
159.95294	1.1
160.05214	1.5
161.05995	2.8
161.73940	1.2
163.07504	2.1
165.05525	3.4
166.06259	42.9
167.06990	1.7
169.08566	1.8
171.08095	3.8
172.08836	1.5
173.09642	27.8
174.06772	3.6
175.07564	12.1
176.04651	1.2
176.08348	7.6
177.05481	5.2
180.07857	3.1
181.08601	92.5
185.09673	1.9
186.10347	1.3
187.07547	2.3
187.11191	5.4
188.08273	1.9
189.09108	7.7
190.09892	17.1
191.07001	9.0
191.10719	9.5
192.07806	24.8
195.10184	8.6
201.09100	35.1
202.09877	3.9
203.07057	2.1
205.08575	1.7
206.09399	23.0
207.10175	13.6
209.08025	3.9
209.11632	1.4
216.11461	100.0
217.08615	16.4
217.12152	7.2
219.10167	3.5
221.11722	24.6
221.13863	1.9
223.09631	1.7
232.10924	23.3
235.09633	2.4
235.13428	2.2
237.14873	2.8
247.13312	71.4
250.12056	4.5
265.09698	3.4
265.14368	66.2
265.21783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73449	2.7
57.51428	2.9
67.05514	3.1
69.07073	4.3
69.53722	15.2
79.05512	5.2
81.03425	7.3
83.04973	4.5
83.69386	2.5
91.05480	7.5
98.97105	2.9
103.05489	4.0
107.04951	5.7
115.05453	27.7
117.07027	39.9
119.08606	3.4
120.08115	44.2
121.02899	8.7
121.10158	4.4
129.07030	4.9
131.04950	5.7
131.08604	6.1
132.05791	3.4
144.05684	3.0
145.06494	73.1
147.04485	4.2
152.10718	40.9
155.06056	19.0
156.05719	18.7
156.82846	2.6
157.06461	4.2
159.08067	6.3
160.05313	3.8
161.06070	4.5
163.03970	3.4
166.07912	3.1
167.07097	3.6
173.05998	100.0
175.07597	5.0
187.07574	11.3
190.06300	37.2
191.07054	5.9
191.08664	4.2
196.67281	3.3
203.07097	17.6
205.08624	78.4
217.08606	56.8
219.10188	6.1
221.06328	5.4
234.33763	3.3
235.09595	6.4
247.09741	5.2
263.08206	8.1
265.09943	23.0
265.12988	3.1
265.19128	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	Orthochromene A
Peak:m/z	Relative Intensity
53.03939	1.0
56.92382	0.5
59.05001	9.7
63.40090	0.5
63.53515	0.5
63.73501	0.5
66.62524	0.5
67.05502	4.3
68.08080	0.5
69.07050	2.4
69.66644	0.6
69.76635	2.4
74.15327	0.5
79.05490	1.8
81.03424	0.7
81.06628	0.7
81.07052	4.2
85.06546	1.1
91.05482	2.9
93.07022	0.8
95.04948	0.8
95.08590	2.4
103.05470	0.7
105.07022	0.9
107.04943	1.5
107.08588	0.7
108.05714	0.6
109.06494	1.3
109.10138	2.7
117.07048	0.8
121.06441	0.6
123.04448	0.6
123.08035	1.3
123.11669	0.6
129.06917	0.6
131.04910	2.0
132.05714	2.0
133.06496	1.3
135.04379	1.3
136.05196	5.3
137.06009	2.7
137.09888	0.5
138.06731	1.2
143.08586	0.8
145.06477	1.0
145.10117	1.9
146.07329	0.7
147.08035	1.4
148.05199	10.1
151.03923	2.0
151.07529	1.0
152.04686	0.8
153.09102	0.6
154.06273	2.8
158.07260	1.7
159.04436	0.7
159.08032	1.9
160.05185	1.4
161.05977	1.5
163.07553	0.7
165.05473	2.0
166.06262	27.0
169.08624	3.3
171.08031	1.3
172.08846	0.6
173.05952	0.5
173.09633	13.1
173.13098	0.6
174.06816	1.4
175.07570	5.7
176.04674	0.6
176.08334	4.1
177.05481	1.9
177.09081	0.8
180.07800	2.2
181.08598	100.0
182.08954	1.5
185.05940	0.8
187.11160	1.5
188.08351	1.0
189.09096	4.4
190.09923	8.7
191.07065	4.6
191.10658	4.4
192.07823	10.4
193.08482	0.7
195.06517	4.8
195.07936	0.5
195.08492	0.9
195.10143	6.5
201.09117	16.2
202.09856	1.7
203.07018	1.0
204.07816	0.8
204.11536	1.1
205.08609	1.2
205.12109	0.7
206.09402	10.9
207.10159	7.7
209.08090	2.4
209.11713	0.6
215.10629	0.8
216.11456	50.3
217.08611	8.4
217.12047	3.1
219.10190	1.6
221.08118	1.1
221.11736	11.0
222.08855	0.9
223.09734	1.3
232.10954	12.4
234.12517	0.9
235.09674	1.3
237.14851	3.0
244.07431	1.4
247.13303	32.7
250.11990	2.3
265.09720	2.2
265.14365	44.4
266.14520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.097
Annotation	Luotonin C
Peak:m/z	Relative Intensity
56.96565	0.7
65.03898	0.2
67.41709	0.2
69.03411	0.3
71.49628	0.3
76.12768	0.2
81.16856	0.2
83.05013	0.3
85.02898	0.3
87.94869	0.2
91.05451	0.5
93.07030	0.3
95.04967	0.2
102.09893	0.2
107.04951	0.3
109.06449	0.3
115.05445	0.6
117.07017	0.5
120.08109	1.1
130.06540	0.4
131.05003	0.2
142.06636	0.3
143.07312	1.0
144.08061	0.4
145.06461	0.4
152.10695	0.9
163.03958	0.5
163.07587	0.3
167.07172	0.3
168.08066	1.0
173.06029	0.4
181.08543	0.3
187.07494	0.3
190.06310	0.3
191.07195	0.4
192.08063	0.7
194.09578	0.4
204.08109	0.9
205.07407	0.5
206.08339	2.2
215.06947	0.4
218.08408	0.4
219.09164	6.5
220.07726	0.5
220.09897	3.4
221.10663	2.0
235.08630	0.3
237.10326	0.4
239.08223	0.3
243.91527	0.2
245.29085	0.2
247.08807	0.6
247.12404	0.4
249.06538	0.4
249.07761	0.2
249.10239	2.6
250.07402	16.0
250.11075	2.3
251.07469	0.2
263.08255	2.3
264.08984	0.5
265.09705	100.0
265.13327	20.6
265.18918	1.5
266.10025	1.7
266.13690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03951	2.3
54.20753	1.1
55.05515	18.2
57.03432	1.5
57.07080	12.8
65.08376	1.0
67.05513	88.5
69.03453	1.1
69.07077	16.1
69.61462	6.7
71.04974	2.1
71.08650	6.4
71.59742	1.1
79.05501	28.0
81.07066	100.0
82.16061	1.3
83.04964	1.7
83.08625	14.0
85.06539	4.9
85.10204	1.5
85.93263	1.1
91.05492	22.5
93.07060	30.6
95.04972	2.1
95.08620	82.2
97.06536	5.8
97.10178	6.4
98.21411	1.7
99.08083	4.8
105.07049	12.6
107.04999	1.5
107.08607	16.9
109.06547	2.8
109.10170	42.5
111.08066	5.0
113.09653	3.4
116.61796	1.2
117.07018	1.4
119.08595	13.0
121.10154	16.9
123.08053	1.6
123.11722	17.2
125.09660	1.4
131.08560	1.4
133.10129	17.1
133.44658	1.1
135.11725	12.0
137.09694	2.5
137.13205	6.4
143.08603	1.5
147.11711	11.1
149.13281	9.8
151.11165	1.4
151.14818	9.1
155.14400	1.4
161.13289	11.4
163.14838	6.7
165.16399	8.5
167.14429	1.1
175.14832	9.0
177.16324	1.3
179.17978	3.3
189.16409	2.8
203.17975	2.3
245.22690	28.9
247.11650	1.5
249.42229	1.1
263.08255	2.3
263.12057	2.1
263.14249	6.8
263.20291	4.4
263.23727	66.7
269.36548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	2.1
55.05511	15.1
57.03429	1.2
57.07088	11.1
65.03954	1.8
67.05511	82.4
69.07072	20.2
69.79223	6.9
71.08640	5.9
79.05501	20.8
81.03373	1.5
81.07064	100.0
83.04988	2.4
83.08627	14.7
85.06532	4.8
85.10194	2.4
91.05486	20.5
93.07050	25.4
93.25092	1.2
95.04964	1.8
95.08615	86.6
97.06550	6.7
97.10184	5.8
98.21455	1.4
99.08102	5.6
101.58442	1.2
105.07034	12.5
107.08607	14.4
109.06538	1.5
109.10169	37.8
111.08090	5.3
113.09625	2.8
119.08585	14.5
121.10156	18.8
123.08092	2.4
123.11726	20.6
125.09695	1.6
127.11207	1.7
129.50476	1.3
133.10138	13.3
135.11708	8.0
137.00124	1.2
137.09608	3.2
137.13258	7.7
141.12732	1.4
147.11694	11.0
149.13293	8.1
151.14847	6.8
161.13237	9.7
163.14824	8.6
165.16394	9.7
168.88835	1.4
175.14833	7.4
179.17975	2.9
189.16441	3.7
203.18016	1.3
217.19368	1.8
221.13312	2.2
245.22667	31.6
263.08737	1.7
263.17914	2.7
263.23721	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2009
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03952	6.1
55.01881	6.3
55.05277	2.1
55.05519	26.4
56.42810	1.3
57.03434	1.6
57.07071	2.4
63.27325	1.3
65.03933	3.4
67.05513	52.8
69.03419	2.3
69.07072	19.4
71.04977	5.1
71.47955	1.7
71.48309	1.7
77.03941	2.6
79.05503	63.5
81.03416	5.1
81.07064	47.1
83.01385	1.3
83.03990	1.2
83.04967	6.1
83.08626	18.0
85.02883	1.3
85.06561	2.3
91.05488	38.0
93.07053	93.0
95.04975	8.0
95.08617	40.5
96.27955	1.2
97.02900	2.2
97.06519	6.0
97.10164	6.2
99.04428	1.8
103.05462	1.5
105.04543	1.5
105.06403	1.9
105.07047	24.5
105.71254	1.3
107.04968	3.9
107.08607	56.8
109.06516	5.3
109.10178	20.7
111.04459	2.9
111.08099	7.3
117.07020	4.6
119.06088	1.6
119.08595	22.1
121.06530	3.2
121.10160	54.3
121.11049	2.7
123.08050	5.1
123.11724	4.4
125.09646	2.5
129.07010	4.2
131.08591	8.6
133.10153	21.1
135.08096	2.8
135.11707	30.9
137.09622	4.3
139.07538	3.6
139.11172	2.7
143.08571	3.9
145.10114	6.1
147.08086	1.6
147.11719	10.8
149.09660	3.5
149.13281	13.3
151.11179	4.0
151.14847	1.5
153.09119	5.1
157.10162	3.6
159.11705	3.1
161.09685	4.1
161.13338	7.8
163.11191	3.0
163.14868	3.3
163.97144	1.4
165.12798	1.7
171.11710	3.8
173.13274	2.6
175.11227	3.1
175.14896	1.7
177.12770	1.9
179.10698	1.7
179.14282	2.0
181.12273	2.3
185.13307	4.8
189.12794	4.1
189.16360	3.1
191.14317	1.5
193.12270	1.7
199.14774	3.0
203.14355	1.4
207.13832	4.8
217.15926	3.2
217.19591	3.9
221.15417	3.2
227.17967	4.0
235.20453	2.2
245.19028	7.4
245.22624	2.4
263.08527	2.3
263.12067	2.4
263.17139	4.2
263.20114	100.0
263.23514	4.6
267.41824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03939	6.6
55.01867	2.2
55.05511	25.0
56.86879	1.4
57.03418	2.3
57.07068	3.2
62.12614	1.3
63.48429	1.5
65.03948	3.4
67.05511	45.8
69.03411	1.8
69.07076	21.1
69.14006	1.6
70.63310	4.7
71.04990	3.3
77.03924	2.0
78.47013	1.6
79.05496	78.7
81.03413	3.4
81.07061	53.3
83.04980	4.0
83.08624	10.4
83.09039	1.9
85.06525	2.2
91.05490	41.4
93.07047	100.0
95.04983	7.9
95.08611	58.7
97.06523	4.9
97.10155	5.0
103.05476	1.8
105.04510	1.7
105.07037	31.3
105.14965	1.6
107.04967	12.4
107.08592	72.0
109.06528	6.8
109.10157	20.5
111.08084	4.1
114.97440	1.4
117.07016	8.9
119.06104	2.4
119.08591	27.6
121.06507	6.3
121.10149	77.2
123.08082	10.4
123.11714	4.8
129.07054	4.3
131.08565	8.7
133.10133	19.6
135.08072	4.8
135.11691	42.5
135.12730	2.6
137.09592	3.1
143.08574	4.6
145.10149	12.5
147.11690	13.2
149.09676	3.0
149.13264	17.7
151.03902	1.7
151.11197	4.5
157.10117	4.7
159.11720	5.0
161.09644	3.6
161.13284	7.6
163.11176	2.5
163.14835	3.5
167.10683	1.8
171.11696	6.6
173.13167	2.8
175.11206	2.7
177.12737	2.2
181.12262	2.5
185.13287	4.0
189.12717	3.3
193.12259	3.9
193.14053	1.7
199.14803	3.5
201.16371	2.7
203.14359	1.8
203.17973	2.4
206.10791	1.8
207.13681	2.9
217.15810	2.9
217.19530	3.7
219.17484	4.0
221.15433	2.9
227.18019	5.7
245.15302	2.9
245.19025	9.6
263.09018	2.2
263.16373	11.0
263.20099	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	263.2008
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03941	4.9
55.01854	1.5
55.05241	1.2
55.05513	23.2
56.16235	1.2
57.07077	2.4
59.04986	1.2
65.03905	1.6
67.05505	28.4
69.03412	1.1
69.07069	15.6
71.04989	2.8
71.48978	1.5
77.03925	1.4
79.05497	67.1
79.21204	1.0
81.03405	1.1
81.06593	2.2
81.07056	32.8
83.04966	3.5
83.08627	11.0
85.06539	2.4
91.05487	31.5
93.07048	100.0
94.44907	1.1
95.04966	6.5
95.08610	26.2
97.06527	3.6
97.10151	4.1
102.19551	1.1
103.05501	1.1
105.04507	2.1
105.07037	25.8
107.04989	1.8
107.08598	68.3
109.06528	4.4
109.10161	13.5
111.08027	1.6
112.18319	1.3
117.07020	3.1
119.08593	20.0
121.10149	69.4
123.08048	1.7
123.11692	3.7
127.24947	1.3
128.06262	1.4
129.07048	3.0
131.08556	3.2
133.06512	1.3
133.07472	1.3
133.10136	15.0
135.08090	2.2
135.11694	34.8
137.09677	2.2
143.08546	2.6
145.10110	4.4
147.08086	2.3
147.11687	13.3
149.09613	2.0
149.13268	13.0
157.10144	4.1
159.11697	3.3
161.09586	2.2
161.13295	5.4
163.11246	1.4
163.14838	1.5
165.12779	1.2
171.11710	4.1
175.11227	2.3
179.10637	1.3
181.12238	2.0
185.13277	1.8
189.12810	2.5
193.12375	1.5
199.14757	1.8
203.14243	1.7
203.17950	1.3
207.13821	3.0
217.15961	1.5
217.19481	2.8
221.13321	1.3
221.15401	1.6
227.17950	3.3
245.15381	2.4
245.19113	5.9
263.08810	1.9
263.20087	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1644
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03934	2.6
55.01863	7.1
55.05512	51.5
57.03427	2.1
57.07048	2.1
65.03942	4.1
67.05508	8.9
69.03426	5.0
69.07057	5.8
71.04978	2.5
71.49054	2.6
73.88530	1.6
79.05499	16.2
81.07055	49.1
83.04980	4.7
83.08623	100.0
83.42406	1.6
85.06534	2.3
86.06729	1.7
91.05486	20.5
93.07042	29.2
94.04189	6.2
95.04969	14.2
95.08625	16.9
97.06523	9.4
97.10162	2.0
105.04505	2.0
105.07042	13.6
107.04955	7.9
107.08595	43.1
109.06523	86.0
109.10151	4.9
111.04451	2.1
111.08088	12.8
113.09630	7.3
117.07043	3.5
119.04929	7.1
119.06055	2.2
119.08584	12.1
121.02887	2.4
121.06535	4.6
121.10167	11.2
123.08097	8.6
125.09671	10.9
129.07011	2.7
131.08571	3.1
133.10094	9.0
135.08052	4.2
135.11687	4.3
137.05991	26.3
137.09569	2.3
139.11208	23.2
143.08617	3.3
145.10109	10.1
147.07988	3.2
147.11581	2.4
149.09615	4.8
149.13242	1.8
153.09096	12.9
157.10129	2.3
159.11717	11.5
161.09622	4.8
161.13289	4.1
163.11189	1.9
165.27127	1.7
169.10001	2.1
172.88838	1.8
177.12718	3.8
179.14323	3.6
181.12231	19.6
185.13271	7.2
187.11154	9.5
203.14299	12.0
205.12242	16.8
221.15364	19.9
245.15399	4.6
263.08749	3.5
263.11932	2.8
263.16544	19.3
263.20068	6.3
263.23654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22601	9.8
82.99852	8.2
89.00865	3.3
101.00289	4.2
101.00896	50.6
113.00871	6.8
119.01926	35.4
131.01895	13.5
136.74475	2.9
139.02379	3.7
143.01900	76.1
145.03436	5.5
155.01889	13.9
157.03476	7.5
159.19371	2.7
161.02963	100.0
163.03958	3.9
169.29509	3.1
173.02988	30.8
178.16194	3.3
185.03035	7.6
191.04002	9.2
197.02821	3.4
201.17252	3.5
203.04027	24.7
221.05078	9.8
239.06166	4.3
242.95715	3.2
263.01782	28.1
263.06107	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
50.54208	1.1
51.83221	1.3
53.03939	1.4
55.01860	3.1
55.05510	1.4
63.44444	1.2
65.03928	1.4
67.05508	4.6
69.03439	8.5
69.60110	6.0
69.92698	0.9
79.05499	8.3
81.07060	6.8
83.04961	2.6
85.02885	2.3
87.04472	1.3
91.05486	7.1
93.07041	7.4
95.04971	4.2
95.08607	3.0
97.02893	2.2
97.06541	13.6
105.07040	12.6
107.04945	2.2
107.08594	13.1
109.02884	4.0
109.06503	4.7
109.10226	1.3
111.04470	9.6
113.02377	4.7
115.05484	3.2
116.06297	1.2
117.07011	4.9
119.04940	1.8
119.08583	8.3
121.06508	4.6
123.04397	6.5
123.08080	2.8
128.06218	4.9
129.06998	6.0
131.08569	5.3
133.06439	3.5
133.10135	3.4
135.08057	100.0
137.06003	3.1
139.03850	1.4
139.07574	1.7
141.06961	2.4
142.07773	5.3
143.08572	7.0
144.09337	2.8
145.06451	2.4
145.10143	2.8
147.02505	1.4
147.08055	5.2
147.11667	1.7
149.05980	2.5
149.09659	1.4
151.07524	2.5
153.07013	1.4
155.08475	2.9
156.09366	11.2
157.06453	1.8
157.10159	7.0
158.07307	1.4
159.08072	6.4
159.11700	11.3
160.08784	2.2
161.06020	4.0
161.09615	4.6
163.07574	2.7
165.07021	1.4
165.09132	1.9
166.07811	4.2
169.06458	1.5
169.10211	1.4
171.08092	3.8
171.11688	6.1
172.08859	5.7
173.09618	10.5
173.13264	1.6
174.10446	1.1
175.07553	4.1
175.11212	5.7
181.10121	4.8
184.08841	4.9
185.09634	5.3
187.07608	2.4
187.11188	31.4
188.08299	3.4
189.09056	2.3
189.12759	2.4
197.09537	1.6
199.07518	2.8
199.11195	20.5
202.09943	2.1
203.10667	39.0
209.09564	1.8
212.08376	3.5
215.10692	19.6
217.08812	1.4
217.12263	23.9
227.10706	19.0
233.11748	16.8
245.11745	54.5
263.12762	13.8
272.11752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91105	0.9
58.99875	1.3
68.88312	0.9
70.27325	0.7
70.27662	2.3
70.99857	4.5
77.00924	1.9
77.55868	0.7
82.99832	10.5
86.99349	1.6
89.00915	4.0
94.99844	1.3
97.02898	1.4
101.00888	55.3
109.02889	1.2
113.00859	11.1
115.02435	2.1
119.01930	37.0
120.02080	1.3
127.02414	4.2
131.01915	14.3
133.03500	1.0
135.01428	0.9
137.02975	2.3
139.02422	6.8
141.00331	1.3
143.01906	90.7
144.01945	0.8
145.03462	7.5
149.03020	0.8
155.01912	14.1
157.03471	13.8
159.01401	1.9
161.02968	100.0
162.03131	1.6
167.01932	3.4
171.03592	0.8
173.02972	20.2
175.04556	2.1
179.04152	1.0
184.04541	0.9
185.02977	8.8
187.04558	1.2
191.04030	9.3
197.02858	0.9
203.04027	39.8
204.65959	0.8
215.04121	0.9
221.05081	18.8
239.06125	9.4
245.04994	1.1
263.06122	96.8
264.06329	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53343	19.6
71.48161	3.0
76.36427	3.1
82.99843	7.9
84.09892	2.6
85.02908	4.6
89.00848	2.7
89.17755	3.1
97.02878	5.4
98.21594	4.6
101.00882	56.3
113.00884	16.4
119.01917	34.2
129.92274	2.9
131.01926	24.3
139.02376	4.5
143.01901	82.9
145.03442	3.3
155.01886	14.7
157.03467	11.1
161.02953	100.0
163.03928	7.2
173.02968	36.0
185.02985	11.7
187.04565	3.3
191.04031	15.7
197.03008	2.7
203.03999	28.9
217.26849	2.6
221.05070	14.1
223.93539	2.7
224.11357	2.7
237.33400	3.1
239.06137	4.3
245.05074	3.5
263.01627	10.6
263.06100	58.6
283.82944	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.1
65.28625	0.9
69.03416	1.0
70.04652	3.9
70.99862	2.0
74.59968	1.0
75.03578	0.9
77.00889	1.4
82.99831	7.6
85.02884	1.2
88.88783	0.9
89.00897	2.7
94.99827	1.4
97.02894	2.2
97.03459	0.9
101.00888	48.5
103.00644	1.0
109.02836	1.0
113.00877	12.1
115.02435	1.8
119.01933	30.5
127.02422	2.1
131.01920	17.6
133.03476	1.4
137.02966	2.2
139.02409	4.2
143.01907	81.7
144.01991	1.5
145.03493	4.6
149.03023	1.2
153.46294	0.9
155.01889	13.5
157.03488	8.2
159.01424	1.9
161.02968	100.0
162.03131	1.4
167.01906	3.9
173.02969	26.4
175.04565	1.9
184.04533	1.2
185.02962	11.6
191.04018	13.5
197.03029	2.9
198.90277	0.9
203.04022	28.7
215.04034	3.5
221.05090	8.0
233.05142	1.6
239.06122	3.3
245.05046	2.2
263.02988	6.6
263.06128	70.6
281.19537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2378
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
57.06845	0.6
57.07082	7.5
58.06598	1.8
59.03739	0.4
70.06598	21.6
70.77994	1.0
71.08640	4.6
72.08163	0.5
74.06107	0.6
83.32523	0.4
84.08136	0.7
88.07638	29.3
102.09187	17.1
132.10216	0.7
146.11768	0.6
150.11250	0.8
156.17465	1.4
160.12210	0.4
200.20103	56.7
201.20346	0.7
209.81355	0.4
244.22751	3.8
262.23788	100.0
263.24106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	0.9
53.03940	3.8
55.01863	1.2
55.05510	15.3
57.03426	1.5
57.07072	4.0
63.18982	0.6
65.03933	1.3
67.05503	45.7
69.07067	13.1
69.79984	2.3
69.80397	1.5
71.04981	1.7
71.08631	1.5
77.03926	1.5
79.05493	56.2
81.07056	52.1
83.04955	1.0
83.08621	7.4
85.06557	3.1
91.05480	27.7
93.07043	79.3
95.04971	3.7
95.08606	35.0
97.06532	3.9
97.10168	3.5
97.10694	0.6
99.08094	3.5
103.05430	1.3
105.04533	1.4
105.07030	19.5
107.08595	51.8
109.06525	1.8
109.09478	1.0
109.10155	12.9
111.08098	3.0
113.09584	0.9
117.07030	7.8
119.06075	1.0
119.08585	18.2
121.10143	45.0
123.08059	1.7
123.11722	4.7
125.09624	1.5
131.08566	15.0
133.10120	14.6
135.11693	33.8
137.09547	1.1
137.13248	1.7
143.08606	0.7
145.10126	16.2
147.11685	12.1
149.13261	24.2
151.11209	1.2
151.14771	0.9
153.12727	0.8
159.11690	11.5
161.13261	12.6
163.14818	18.9
165.12741	1.5
173.13286	10.6
175.14842	4.8
177.16386	5.5
179.14268	1.3
187.14828	6.5
189.16386	0.7
191.14378	0.8
201.16452	3.2
215.17963	10.5
219.17397	0.9
233.22534	1.0
243.21089	29.8
261.22131	100.0
262.22391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.02500	0.9
53.03941	3.2
55.01860	1.3
55.05516	12.3
55.15934	0.8
57.03439	1.4
57.07072	3.3
65.03928	1.6
67.05510	39.5
67.69937	0.9
68.36069	0.8
69.03413	0.9
69.07076	12.9
70.71326	0.8
71.04994	2.2
71.08613	1.6
77.03918	1.1
79.05499	56.9
81.07062	49.0
83.04979	1.2
83.08630	6.2
85.06545	2.9
89.74728	0.9
91.05491	28.0
91.48046	0.8
93.07052	74.9
95.04967	2.6
95.08615	35.6
97.06535	3.1
97.10177	2.1
99.08083	2.4
105.04556	1.5
105.07037	21.3
107.08604	43.6
109.10168	13.1
111.08093	3.5
111.11720	1.0
113.09666	1.3
115.05470	1.3
117.07034	8.6
119.07927	0.5
119.08586	18.6
121.10153	40.7
123.08053	2.0
123.11710	3.5
125.09621	1.0
131.08571	14.4
133.10146	13.4
135.08012	1.2
135.11703	32.1
137.09631	1.9
137.13301	1.9
139.11189	1.0
145.10136	18.2
147.11711	12.1
149.09666	1.6
149.13281	25.0
151.11212	1.0
151.14850	1.3
153.12798	1.6
159.11700	14.3
161.13268	12.1
163.11093	1.1
163.14842	19.2
165.12740	0.9
173.13274	13.0
175.14864	5.7
177.16377	5.7
179.14325	1.4
187.14818	7.7
193.12263	1.6
201.16406	3.5
205.15843	1.4
215.17979	50.2
217.19560	0.8
219.17378	1.1
233.22678	1.2
243.21088	34.2
261.18613	18.0
261.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
53.04406	0.6
55.01860	0.7
55.05511	13.6
57.03439	1.7
57.07083	3.6
63.46743	0.7
63.71819	0.7
65.03930	1.9
65.32950	0.7
67.05508	41.0
69.06736	1.0
69.07072	14.5
69.81107	2.9
71.04977	2.4
71.08615	1.2
77.03928	1.3
79.05497	60.8
81.03391	0.7
81.07059	50.5
81.78410	0.7
83.04958	1.3
83.08619	7.3
85.06556	4.4
87.81739	0.6
91.05485	30.6
93.07046	77.3
95.04980	3.6
95.08610	37.7
97.06541	4.0
97.10162	2.2
98.20766	1.3
99.08084	4.6
105.04515	2.1
105.07032	21.3
107.04951	1.2
107.08597	50.5
109.06512	2.0
109.10159	15.1
111.08128	3.5
113.09645	1.3
117.07032	6.3
119.08586	15.9
119.54495	0.7
121.06512	0.7
121.10147	45.0
123.08064	2.5
123.11723	4.5
125.09631	1.1
130.07796	0.7
131.08568	15.8
133.10132	12.8
135.11696	34.0
137.09592	2.1
137.13237	1.2
144.52333	0.7
145.10127	16.0
147.11673	12.1
149.09653	1.1
149.13264	27.9
153.12669	1.0
159.11703	13.3
161.13275	14.0
163.11118	1.1
163.14828	22.1
165.12750	1.6
173.13300	9.7
175.14824	4.3
177.16405	5.9
179.14323	1.9
187.14815	7.5
189.16353	1.1
201.16370	2.6
215.17996	4.2
219.17303	0.8
233.22627	1.1
243.18535	1.1
243.21095	34.7
261.22147	100.0
262.22433	1.2
268.97638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02389	0.5
51.03389	0.4
53.03951	3.1
55.01874	1.2
55.05511	15.2
55.56643	0.4
57.03434	1.5
57.07072	4.0
59.79939	0.4
65.03939	2.0
67.05507	41.4
69.03416	0.5
69.07068	13.1
69.32989	3.0
69.33399	1.1
71.04989	2.6
71.05341	0.4
71.08637	1.0
77.03928	1.6
79.05496	59.5
81.07059	49.1
83.04972	0.5
83.08624	7.6
85.06545	3.6
85.10171	0.7
91.05483	31.5
93.07046	77.3
95.04966	4.0
95.08607	35.5
97.06537	3.6
97.10181	3.0
99.08111	3.5
99.44344	0.5
105.04519	1.7
105.06311	0.7
105.07031	19.7
107.08596	51.2
109.06525	1.8
109.10158	16.2
111.07320	0.5
111.08100	3.0
111.11721	0.5
113.09621	0.9
115.05422	0.6
117.07014	8.1
119.06084	0.6
119.08585	15.9
121.10149	42.5
123.08061	1.4
123.11719	4.5
125.09662	0.9
129.07022	0.9
131.08566	16.5
133.10132	16.0
135.08075	0.9
135.11691	39.6
137.09633	1.9
137.13266	2.1
139.11119	0.8
143.08507	0.5
145.10120	14.9
147.11696	12.8
149.09648	0.9
149.13266	29.8
151.11153	0.7
151.14827	1.0
153.12816	0.9
159.11699	11.0
161.13263	12.8
163.11172	0.8
163.13441	1.1
163.14825	21.2
165.12724	1.7
173.13263	10.7
175.14828	5.4
177.12784	0.7
177.16380	5.8
179.14291	1.6
187.14824	7.6
189.16399	1.2
191.14354	0.7
201.16367	3.4
205.15872	0.8
215.18002	3.0
217.19458	0.8
219.17488	1.0
233.22562	1.4
243.18513	0.7
243.21092	31.4
261.22141	100.0
262.22504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.1
55.01883	1.0
55.05508	11.5
57.03422	1.3
57.07062	2.5
65.03934	2.0
67.05505	38.7
69.07074	10.1
69.44666	1.6
69.45068	5.3
71.04976	1.6
71.08595	1.4
79.05491	50.8
81.07058	42.8
83.04960	1.4
83.08614	7.4
85.06529	4.3
91.05479	24.0
93.07042	65.8
95.04958	3.5
95.08607	31.8
97.06530	2.2
97.10159	2.4
98.20794	1.6
99.08076	2.4
105.04516	0.8
105.07032	18.6
107.08593	40.4
109.06510	1.4
109.10155	12.4
111.08069	4.3
111.11677	1.1
111.18942	0.7
113.09615	1.2
117.06996	5.0
119.08591	15.2
121.06501	0.7
121.10145	40.3
123.08043	1.4
123.11734	4.0
125.09613	1.2
129.06961	0.9
131.08559	11.6
133.10129	12.6
135.08095	1.4
135.11687	32.3
137.09610	1.6
137.13298	1.1
145.10132	14.4
147.08092	0.8
147.11700	12.1
149.09619	1.7
149.13257	20.4
149.14400	1.5
151.14793	0.9
159.11714	10.0
161.13248	11.1
163.14827	17.8
165.09105	0.9
165.12685	1.1
173.13257	9.7
175.14844	4.4
177.16385	3.7
179.14244	1.0
187.14848	8.3
189.16321	1.0
201.16382	3.7
205.15898	1.1
215.17891	8.2
219.17406	1.0
233.22771	1.5
243.21089	29.6
261.03928	2.6
261.18713	6.0
261.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03952	4.4
55.01851	1.2
55.05269	1.1
55.05512	14.4
57.03426	1.4
57.07061	3.2
58.36202	0.7
58.67757	0.8
65.03934	2.3
67.05508	41.2
69.06730	1.2
69.07072	14.8
70.28197	2.0
71.04974	2.2
71.08614	1.5
77.03922	0.7
79.05495	56.4
81.03404	0.7
81.07058	46.9
83.04990	1.2
83.08620	7.3
85.06529	3.1
85.55383	0.6
91.04908	1.4
91.05486	31.6
93.07047	78.2
95.04968	3.1
95.08611	35.7
97.06521	3.8
97.10170	2.9
99.08117	4.0
105.04532	1.4
105.07036	19.9
107.08598	49.8
109.06521	1.3
109.10162	14.3
111.08092	2.9
111.11699	1.0
113.09667	1.1
117.07026	6.1
117.42426	0.8
119.06049	0.8
119.07724	1.1
119.08580	16.5
121.10148	43.3
123.08081	1.0
123.11710	4.0
125.09609	1.6
129.07002	0.9
131.08562	13.6
133.10136	13.2
135.11694	33.9
137.09589	1.4
137.13251	1.1
139.11177	1.2
143.08592	0.8
145.10126	15.6
147.11700	11.6
149.09621	0.7
149.13268	26.1
151.11201	1.6
151.14799	1.2
159.11703	10.5
161.13281	10.6
163.11211	1.1
163.14839	20.0
165.12743	1.4
173.13237	11.3
175.14868	3.6
177.12668	1.3
177.16397	4.1
179.14375	1.6
187.14821	7.3
189.16418	0.8
201.16414	3.5
203.17900	0.8
206.74071	0.7
215.17931	8.1
217.19429	1.0
233.22639	1.8
243.21098	32.9
261.03925	1.4
261.22144	100.0
277.52051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
53.03941	2.3
54.48067	0.9
55.05511	8.3
57.03442	5.7
57.07069	1.0
65.03960	0.9
67.05505	10.2
69.07079	6.2
70.66119	0.8
71.49310	1.1
79.05494	10.6
81.03418	1.2
81.07062	12.9
83.04996	8.0
83.08617	2.7
85.06534	1.0
91.05485	23.2
93.07043	13.9
95.04976	1.4
95.08605	8.5
99.04484	1.1
103.05441	2.1
105.07041	28.9
107.04937	2.9
107.08599	14.1
109.06507	2.4
109.10156	6.2
111.08093	1.3
113.05964	1.0
115.05465	1.2
117.07028	10.6
119.08583	30.8
121.06509	2.6
121.10147	8.2
123.08059	1.0
123.11768	1.0
129.06990	2.3
131.04903	0.9
131.08563	12.4
133.10139	18.6
135.08054	4.6
135.11708	2.6
137.05956	1.9
143.08539	2.6
145.10139	22.1
146.10858	0.8
147.08025	2.3
147.11703	9.1
149.09581	1.2
151.07542	1.0
151.11163	0.8
153.09138	1.4
155.08513	1.0
157.10152	2.1
159.08183	1.1
159.11699	14.7
161.09697	1.6
161.13266	2.4
163.11186	1.1
169.10136	1.3
171.11717	2.3
173.13260	7.0
179.10728	1.1
183.11737	1.1
187.03937	1.3
187.11211	1.4
187.14857	2.3
189.12793	2.3
191.10738	1.2
205.15932	2.1
215.17967	100.0
216.18369	1.9
225.16417	1.6
233.15390	0.9
233.18892	1.2
239.43829	0.8
243.17502	2.3
261.04019	4.2
261.18512	79.7
262.18954	1.0
278.56332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03935	3.5
55.01875	5.2
55.05510	18.4
57.03421	3.1
57.07066	1.0
65.03931	1.8
66.44743	1.1
67.05145	1.3
67.05503	22.6
69.03431	2.2
69.07067	10.7
71.04993	2.6
71.09857	2.0
79.05492	34.4
81.03397	2.5
81.06599	2.3
81.07056	39.3
83.04970	4.5
83.08630	4.9
85.06519	1.3
91.05484	34.7
93.07039	25.2
95.04965	7.9
95.08612	13.1
97.06540	2.5
97.10177	5.5
99.04482	1.0
103.05514	1.3
105.07030	33.8
107.04958	19.4
107.08595	21.5
109.06529	15.1
109.10168	6.4
111.08099	1.5
115.05434	2.0
115.87865	0.9
117.06212	1.6
117.07005	12.4
117.99718	1.0
119.08582	29.4
121.02917	1.5
121.06499	6.8
121.10146	6.8
123.04419	2.7
123.08070	2.7
123.11716	2.5
125.09632	3.9
129.06996	3.7
131.08562	12.7
133.06456	1.7
133.10129	24.1
135.08063	22.7
135.09052	0.7
135.11674	2.7
137.09627	5.6
141.06963	1.4
143.08556	3.7
145.06442	2.9
145.10126	13.0
147.08020	1.8
147.11707	11.2
149.06104	1.1
149.09639	8.9
151.07506	1.4
151.11139	3.8
155.08517	1.3
157.10149	3.5
159.08081	1.9
159.11732	9.3
161.09621	5.0
161.13245	2.9
163.07568	4.8
163.11205	4.8
169.10112	3.1
171.11613	1.9
173.09648	2.8
173.13287	3.8
175.11200	1.5
177.09114	2.0
179.10692	8.5
183.11758	3.7
187.11182	2.4
187.14868	2.2
199.14781	1.9
201.12778	1.8
201.16367	3.0
203.14281	1.3
205.12314	2.1
215.17955	21.8
225.16406	2.9
231.85068	1.0
233.19019	4.1
243.17455	10.4
261.03986	2.5
261.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.3
58.99842	0.2
68.30296	0.2
70.31195	0.6
82.99824	0.8
98.97571	1.5
101.00207	0.3
101.00880	5.9
116.98652	0.8
119.01925	6.4
120.02091	0.2
122.97796	0.4
134.99796	0.4
137.02931	0.5
140.98816	1.6
143.01895	0.4
158.92221	0.2
158.99893	3.9
159.99988	0.2
161.02986	0.3
165.99687	0.2
175.02948	0.3
177.00957	11.4
178.01126	0.3
182.99867	1.6
195.14471	0.2
199.02980	0.4
201.00945	4.5
202.01007	0.3
215.00462	0.2
217.04100	2.6
219.02005	18.1
220.02136	0.7
221.02010	0.3
225.00842	2.5
234.00659	0.3
237.98753	1.1
238.98326	0.4
243.02003	16.3
244.02136	0.4
261.03058	100.0
262.03201	4.0
263.03397	0.2
266.03574	0.2
279.00589	0.6
284.04773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52757	7.9
56.96568	12.2
69.39500	67.2
70.64044	8.6
71.17942	7.8
78.33570	7.6
84.08154	13.9
86.09686	10.6
91.05473	15.5
95.04988	28.2
98.97577	9.8
99.72432	8.1
107.04967	17.0
119.04906	14.4
130.06554	11.6
131.04926	9.0
135.04420	8.6
151.03926	27.9
157.07646	11.1
163.03920	31.2
165.05501	100.0
171.04298	8.5
174.31111	9.9
186.09138	18.7
201.06602	11.0
204.13829	20.2
218.99786	8.7
225.07729	20.9
230.15311	10.7
232.06833	13.2
237.00705	13.1
249.55069	10.8
260.06570	18.3
260.09399	14.0
260.14270	7.9
261.03870	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	260.0918
Annotation	Isoskimmianine
Peak:m/z	Relative Intensity
54.79167	0.4
56.96558	1.4
57.03432	3.5
59.53057	0.4
59.66277	0.4
63.02368	0.5
64.57270	0.5
67.05508	0.5
69.81136	0.4
70.06574	0.6
71.01350	1.7
83.05042	0.5
84.04505	0.5
84.08145	1.2
85.02910	47.0
86.09705	0.8
89.03885	0.9
90.14365	0.4
95.01335	0.6
98.97575	0.4
103.03931	0.7
107.04980	0.5
113.02352	2.1
117.03370	0.7
130.06532	100.0
131.03400	2.9
131.06834	0.7
135.04419	1.0
136.06519	0.4
151.03952	0.6
156.08072	0.9
163.03912	3.1
165.05498	1.0
170.05951	0.5
171.96956	0.4
182.55237	0.4
186.09119	0.8
200.07130	0.5
204.13838	0.6
237.00667	1.7
242.08131	0.9
243.13206	0.5
255.01776	1.0
260.09180	68.1
261.09555	1.0
273.02945	0.5
274.30850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.12255	2.0
55.05503	8.6
57.07071	2.3
59.95618	1.9
65.03928	2.8
67.05499	10.0
69.07075	30.7
70.05790	6.6
71.05005	21.4
79.05488	6.8
81.07056	21.9
83.04995	3.7
83.08612	8.2
85.06556	20.5
91.05488	9.8
93.07044	15.7
95.04968	2.1
95.08601	20.5
97.06524	3.8
97.10169	1.8
105.07038	26.6
107.08607	19.6
109.06525	7.5
109.10175	18.0
111.08073	12.0
115.05473	2.7
117.07018	6.7
119.08595	50.2
120.09394	2.8
121.10137	13.5
123.08069	2.4
123.11728	25.8
129.06995	3.7
131.08565	16.1
133.10143	35.0
135.08070	10.7
135.11732	5.4
137.09639	5.2
142.07764	2.7
143.08553	11.1
144.09361	4.2
145.10146	33.5
147.11699	19.3
149.13306	4.1
150.40367	2.5
156.09344	3.7
157.10129	12.9
158.10944	2.4
159.11691	35.2
160.12425	2.7
161.13278	33.0
163.11180	2.8
170.10881	3.1
171.11726	16.1
173.13298	13.1
175.11334	5.0
175.13312	3.9
175.14842	79.6
176.15582	4.1
177.12801	3.6
177.16458	3.8
185.13243	15.2
189.12788	5.9
189.16406	4.2
191.14340	3.8
199.14850	6.7
201.16385	24.2
203.14334	8.1
215.17957	7.6
217.19585	2.8
241.19540	16.0
246.06363	2.3
259.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75543	1.4
53.03945	1.6
53.78572	1.4
55.05516	7.4
57.07057	2.2
66.23045	1.3
67.05514	9.7
68.99784	1.7
69.03424	3.0
69.07074	30.4
70.62170	4.3
71.04996	22.2
79.05477	4.2
81.07060	18.5
83.04963	4.3
83.08605	5.7
85.06551	22.6
85.45515	1.6
91.05480	9.0
93.07035	14.1
95.04979	3.0
95.08604	19.1
97.06518	4.7
99.08089	3.4
105.03384	2.8
105.07043	27.3
107.08591	19.4
109.06528	6.4
109.10164	11.7
111.08074	10.9
115.05413	2.4
117.07012	9.7
119.08588	48.0
120.09383	1.9
121.10128	12.4
123.08128	1.7
123.11707	25.3
125.09660	2.4
129.01808	2.7
129.07001	3.8
130.07782	3.0
131.08556	13.5
133.10143	32.0
135.08078	14.1
135.11693	6.3
137.09619	3.3
142.07742	2.3
143.08594	7.0
144.09323	2.3
145.10133	32.4
147.11676	16.9
149.09665	2.7
149.13237	3.2
156.09346	3.4
157.10139	10.1
159.11702	32.3
160.12447	5.3
161.05989	1.4
161.09653	2.2
161.13264	30.8
163.11179	2.6
170.10844	2.9
171.11694	15.7
173.13283	11.3
175.11227	5.7
175.14832	78.6
176.15588	4.7
177.12749	3.6
177.16501	2.7
185.13268	14.9
188.27728	1.4
189.12752	5.9
189.16360	7.3
190.13629	2.5
191.14258	2.5
199.14813	5.0
201.16400	31.8
203.14296	10.5
213.16345	1.8
215.17967	6.3
217.19563	4.3
241.19536	18.0
244.12454	1.7
259.20587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0967
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03949	0.9
54.84829	0.5
55.01880	3.2
67.05502	1.6
69.03422	0.8
69.07074	23.8
69.67577	3.4
72.50812	0.5
79.05495	8.2
81.07088	0.8
83.05001	0.7
83.66754	0.5
88.99838	0.5
89.03925	12.7
95.04955	1.0
97.06535	23.2
98.20821	1.1
105.03376	1.6
106.04194	0.6
107.04971	4.2
109.92794	0.5
117.03391	18.2
133.02847	2.6
134.03650	6.8
135.04420	25.5
145.02856	18.3
147.04437	0.6
161.02364	2.3
162.03146	2.0
163.03911	100.0
173.02307	0.8
180.69492	0.5
191.03403	1.9
199.03931	0.7
215.07036	1.2
217.04991	8.8
230.05670	0.6
241.08609	1.5
259.09674	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	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.05500	9.5
57.07071	4.5
67.05502	11.7
69.07073	36.2
69.47366	14.8
70.83249	2.4
71.04993	22.8
79.05489	10.1
81.07047	21.1
83.04983	5.4
83.08598	6.5
85.06535	13.8
87.00848	2.1
91.05483	17.4
93.07033	15.7
95.04963	6.0
95.08610	20.8
97.06527	9.1
98.21562	4.6
103.05409	2.5
105.03387	10.8
105.07028	30.4
107.08588	22.5
109.06535	4.6
109.10162	13.7
111.08084	6.1
113.06020	2.5
117.07023	9.0
119.08584	49.9
121.10175	12.8
123.08000	2.7
123.11708	21.5
125.09602	3.2
129.01839	10.4
129.06958	6.5
131.08601	17.9
133.10136	35.8
135.08040	13.4
135.11659	7.4
137.09613	4.5
143.08546	12.7
144.09396	3.0
145.10112	31.0
146.10747	2.8
147.11685	19.8
151.11270	3.0
156.09273	3.8
157.10144	14.6
159.11705	29.7
160.12485	3.1
161.02304	2.5
161.13261	33.5
171.11707	16.0
173.13245	9.9
175.11227	4.0
175.14833	82.5
175.16309	5.2
176.15520	5.8
177.12712	4.9
177.16426	3.8
181.06471	4.6
185.13240	17.2
189.12770	6.9
189.16382	7.0
190.13577	2.8
199.14882	4.5
201.16415	25.8
203.14336	11.3
215.17973	6.0
241.19547	22.6
259.14810	3.3
259.20581	100.0
259.27240	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
50.28276	1.0
53.03942	1.9
55.01886	6.6
55.05504	3.2
57.03435	2.9
67.05498	3.9
69.07077	20.7
70.35030	2.9
77.03899	2.1
78.12765	1.0
79.05502	15.5
83.04982	2.7
89.03927	10.5
91.05488	3.7
95.04998	1.8
97.06538	100.0
103.34789	1.2
105.03403	5.7
107.04977	2.6
115.05451	2.5
117.03403	10.8
117.07017	1.2
119.04887	1.5
120.02106	2.4
122.78745	1.2
131.04926	2.3
133.02869	9.8
134.03600	2.0
135.04425	14.3
141.06973	1.5
143.04872	2.2
145.02879	11.8
147.04442	5.8
153.21399	1.1
159.04431	7.1
161.02354	26.5
161.05981	1.4
163.03920	65.9
165.07074	1.6
167.08588	2.9
171.04407	1.4
173.02361	51.0
175.03937	7.2
177.86414	1.2
179.03442	2.8
184.05191	1.5
185.06006	3.4
185.09619	1.3
186.03140	1.5
187.03880	1.5
187.07585	1.5
189.01840	20.3
189.05473	2.4
193.04964	4.8
195.08080	5.3
197.05952	1.3
199.03944	2.5
207.02910	32.8
213.09131	3.8
215.07048	52.5
217.05017	7.8
223.07463	2.1
241.08621	5.3
259.09702	24.2
259.12558	1.8
259.13553	1.4
271.70404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03948	1.1
55.01869	0.8
55.05516	8.7
57.03434	2.3
57.07066	1.2
65.03936	1.1
67.05508	22.0
69.07070	4.1
69.76871	0.6
70.98505	1.5
71.04980	0.9
79.05494	6.3
81.06591	1.0
81.07062	13.0
83.04996	0.8
83.08615	3.3
85.06492	0.9
91.04914	1.0
91.05484	17.3
93.07047	3.7
95.08611	8.4
97.06540	1.4
97.10152	1.5
98.21129	1.1
103.05462	1.4
105.07041	13.7
107.04919	1.0
107.08598	3.4
109.10159	5.8
111.50799	0.7
115.05449	2.9
116.06232	3.3
117.07021	14.4
118.78272	0.8
119.08578	4.8
121.10119	2.7
128.06221	6.0
129.07018	9.2
130.07794	5.3
131.08569	100.0
132.08911	1.4
133.10168	4.6
141.07013	3.0
142.07768	4.5
143.08565	24.7
144.09373	1.3
145.06477	4.0
145.10129	72.6
147.08055	1.5
147.11705	3.4
155.08546	6.7
157.09164	0.6
157.10138	15.9
158.07265	0.9
159.08051	1.8
159.11697	11.1
161.09608	2.6
168.09360	1.7
169.10129	8.4
171.11684	15.1
173.13220	3.6
175.11200	2.2
181.10152	0.8
183.11708	11.1
185.13261	2.7
187.11162	8.3
189.12775	1.1
197.13290	7.5
199.14890	1.1
201.12723	2.0
211.14732	1.5
213.16418	1.0
215.14365	1.0
229.19568	1.3
239.17967	10.0
257.19022	59.0
257.30316	1.7
258.19315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1903
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.13956	0.6
53.03938	1.6
54.17273	0.8
55.01868	2.9
55.05262	1.1
55.05513	9.3
57.03423	1.7
57.07075	1.4
60.42027	0.7
64.04615	0.9
64.24746	0.7
67.05183	1.4
67.05513	14.6
69.03438	1.1
69.06789	0.7
69.07076	7.6
69.20515	4.5
69.20934	2.5
69.52847	0.8
71.04996	1.1
75.13489	0.8
79.05502	11.5
79.75838	0.7
81.07071	12.4
83.04977	1.9
83.08621	2.9
83.69296	0.7
91.05485	17.8
93.07056	14.7
95.04974	2.3
95.08625	10.1
97.06531	2.3
97.10162	2.3
98.21500	2.1
103.05496	1.2
105.07042	18.6
107.04993	4.4
107.08607	9.9
109.06516	2.2
109.10168	5.7
115.05453	2.2
116.06280	1.3
117.07025	14.1
119.08600	13.1
121.06491	2.7
121.10158	5.5
123.08059	1.5
128.06219	2.9
129.07018	8.5
129.20178	0.8
130.07796	3.6
131.04941	2.1
131.08586	38.2
133.06505	10.6
133.10153	8.2
135.08055	2.6
135.11703	3.1
137.09569	1.1
141.07036	4.0
142.07774	1.8
143.08551	12.3
144.05711	1.9
144.09389	1.3
145.06509	12.6
145.10138	30.1
146.07277	1.5
147.08075	9.9
147.11676	5.5
148.10269	0.8
149.09636	3.0
150.57883	0.9
153.06949	1.1
155.05989	1.4
155.08583	7.7
156.09335	1.0
157.10144	12.1
158.07275	2.3
159.08066	12.2
159.11710	15.3
161.09627	13.7
161.13271	2.1
163.11246	1.4
168.09375	1.3
169.10159	7.7
171.11697	6.2
173.09634	13.3
173.13269	4.8
175.11206	9.5
175.14772	1.1
177.12746	1.3
182.10930	1.1
183.11740	5.4
184.12389	0.9
185.13283	2.4
187.11209	7.7
187.14835	1.9
189.12758	2.5
197.13242	6.2
199.14883	3.5
201.12785	7.0
211.14833	1.4
213.16382	2.7
215.14415	5.2
215.17953	2.3
223.08954	0.8
229.15927	1.1
229.19585	5.1
239.17960	12.7
257.08105	1.2
257.19037	100.0
257.26428	1.7
258.19391	1.1
258.27985	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01881	1.2
55.05510	8.9
56.25903	0.8
57.03423	1.4
57.07068	3.2
60.24750	0.7
65.03930	1.3
67.05505	17.7
69.03423	1.2
69.07069	6.8
71.04961	1.4
71.08643	0.9
71.34508	1.8
79.05495	11.5
81.06594	1.2
81.07054	16.4
83.04965	2.3
83.08605	4.0
85.06535	1.3
85.10159	0.8
91.05486	21.0
93.07041	10.8
95.04967	2.3
95.08611	12.6
97.06526	3.3
97.10175	1.7
99.44152	0.7
103.05496	1.2
105.06351	0.8
105.07028	19.3
107.04949	3.9
107.08587	8.3
109.06505	3.1
109.10150	4.5
111.08076	1.2
112.57500	0.7
115.05463	2.5
117.07018	24.0
119.08593	13.0
121.06487	2.0
121.10158	5.1
123.08077	2.3
128.06206	3.2
129.07007	11.1
130.07773	3.2
131.04840	1.2
131.08574	47.4
133.06499	7.9
133.10132	11.5
135.08037	2.9
135.11693	2.9
137.09616	1.3
141.06979	5.2
142.07759	2.7
143.08562	15.9
144.09360	1.4
145.06476	4.8
145.10126	53.6
146.07288	1.0
147.08037	4.4
147.11720	7.1
149.09616	3.7
149.13255	1.0
154.07751	1.5
155.08577	7.7
156.09395	1.2
157.10141	20.5
158.07259	1.2
159.08069	6.1
159.11696	23.6
161.09631	9.3
161.13252	2.0
163.11176	1.8
168.09291	1.4
169.10118	11.0
171.11697	12.0
173.09630	6.0
173.13271	11.1
175.11182	7.7
175.14786	1.5
181.10176	1.3
182.10977	1.1
183.11697	12.1
185.13191	4.7
187.11186	8.9
187.14832	1.8
189.12727	1.6
195.11728	1.2
197.13298	8.5
199.14819	3.3
201.12767	5.9
201.16373	1.4
210.13885	1.0
211.14825	3.3
213.16379	3.7
215.14337	3.3
215.17998	2.9
229.15906	2.2
229.19496	5.2
239.17972	22.4
257.19016	100.0
258.19321	1.6
258.27948	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.10349	0.8
53.07435	0.8
55.05511	8.0
57.03424	3.2
57.07078	2.2
61.59625	1.0
67.05504	16.5
69.07069	6.5
69.21228	4.9
69.21645	3.8
71.04975	3.8
72.08142	1.4
72.30451	0.9
79.05496	10.9
79.57651	0.9
81.07061	14.4
83.04975	3.0
83.08592	1.9
85.06539	3.3
85.90999	1.0
90.09168	1.5
91.04987	1.6
91.05491	20.0
93.07047	9.2
95.04942	2.3
95.08610	11.9
97.06531	2.2
97.10176	1.3
103.05454	1.1
105.07036	17.0
107.08594	8.6
109.06517	2.7
109.10158	4.5
111.08103	1.3
115.05463	2.6
116.06245	2.3
117.07023	26.5
118.71166	0.9
119.08583	17.4
121.10135	10.6
123.08048	2.7
123.11706	1.2
128.06206	4.8
129.07011	14.1
130.07780	2.5
131.08572	43.2
133.06468	2.7
133.10146	12.4
135.08063	5.8
135.11681	2.2
137.09615	2.8
141.07053	5.0
142.07773	5.8
143.08559	16.1
144.09323	2.1
145.06479	2.2
145.10129	55.5
147.08061	3.3
147.11714	5.8
149.09682	1.2
154.07761	1.6
155.08583	9.7
156.09323	3.2
157.10138	28.3
158.10870	2.7
159.08083	3.2
159.11699	33.6
161.09615	4.0
161.13249	2.9
163.11189	2.1
167.08588	2.2
168.09378	2.5
169.10144	15.4
170.10905	1.4
171.11688	20.3
172.12393	0.9
173.09576	3.4
173.13272	21.0
173.14735	2.0
174.13953	1.0
175.11209	5.0
175.14847	1.3
181.10068	1.2
182.10933	1.9
183.11697	16.6
184.12447	1.6
185.13280	8.6
187.11180	5.5
187.14796	3.6
189.12761	3.4
195.11676	2.0
196.12521	1.5
197.13261	14.4
199.14842	11.2
200.15373	1.0
201.12846	7.3
209.13208	1.7
210.14142	2.2
211.14763	4.9
213.16370	5.5
214.17102	1.5
215.14307	2.5
215.17990	4.4
224.15651	1.1
229.15948	1.4
229.19569	4.3
239.17949	28.3
247.21516	1.0
257.19019	100.0
257.26691	3.2
258.19327	2.6
258.28000	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05503	3.4
57.07076	2.0
59.05001	0.9
67.05502	6.0
69.07062	4.9
70.77784	1.9
70.78152	2.0
71.05007	4.7
72.08147	1.2
79.05492	5.8
81.07065	5.5
83.08612	2.9
85.06067	0.8
85.06537	4.0
91.05481	8.4
93.07046	12.6
95.04962	2.6
95.08604	11.0
97.06551	1.5
103.05466	1.0
105.07034	26.2
107.08590	13.4
109.06530	6.8
109.10150	9.9
111.08074	1.4
115.05522	1.4
117.07014	5.1
119.07718	1.1
119.08588	21.7
121.10146	63.1
123.08076	3.2
123.11733	1.6
128.06235	3.8
129.06998	5.0
130.07874	1.2
131.08588	14.3
133.10120	10.6
135.08066	13.2
135.11685	3.3
137.09627	5.5
141.07018	2.7
142.07819	7.2
143.07457	0.7
143.08554	18.1
144.09322	3.3
145.10143	17.4
147.11684	4.7
149.09625	4.1
151.11247	1.1
155.08597	4.5
156.09363	4.0
157.10138	24.0
158.10910	7.4
159.07983	1.4
159.11699	26.9
161.09607	3.6
161.13269	2.3
163.11182	3.9
168.09346	2.1
169.10136	12.0
169.27879	1.0
170.10922	1.1
171.11697	13.1
172.08893	0.9
173.09677	2.5
173.13257	27.2
174.14032	2.7
175.11211	3.5
175.14861	3.1
177.12778	1.2
181.10146	1.5
182.10863	1.2
183.11700	13.4
184.12436	3.6
185.13283	3.4
187.11177	6.7
187.14854	3.9
189.12805	2.2
195.11746	1.3
197.13257	8.0
199.14850	33.9
201.12750	9.2
209.13364	1.2
211.14798	1.3
213.16399	10.6
214.17149	2.2
215.14267	3.3
215.17958	8.7
224.15657	2.0
229.15701	1.0
229.19525	1.6
239.17952	14.9
257.19022	100.0
257.26712	3.8
258.19498	1.3
258.27988	3.0
275.09000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24755	0.6
55.01870	2.0
57.03444	5.6
71.48847	1.0
75.04465	2.2
79.05489	3.5
91.05495	1.3
97.30893	0.7
97.90620	0.7
103.05462	4.1
105.07034	31.7
106.99356	0.7
107.04940	2.8
109.06498	1.9
115.05482	1.6
115.82647	0.8
117.07082	1.0
122.03622	3.5
125.80754	0.8
133.06497	50.6
135.08003	0.9
137.05981	100.0
150.06750	1.0
163.07600	3.9
165.06985	1.8
165.09123	22.4
175.07565	3.0
177.09200	0.8
181.08591	2.0
183.10220	3.6
203.10559	1.4
205.58127	0.8
211.07443	0.9
212.51646	0.8
221.11641	1.2
225.09123	2.0
239.12755	1.4
257.04395	1.1
257.08234	1.9
257.11673	1.7
263.23849	0.8
274.23254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.55775	0.6
53.03948	0.9
54.27843	0.8
55.01863	2.4
55.05514	7.6
57.03419	1.2
65.03924	0.9
67.05509	20.6
69.07073	5.2
69.33765	6.6
72.22985	0.8
78.29743	0.9
79.05073	1.3
79.05495	14.4
81.06601	1.1
81.07062	16.3
83.04999	5.8
83.08601	2.9
85.06536	1.3
91.04927	1.4
91.05481	21.5
92.84287	0.8
93.07050	14.5
95.04948	2.2
95.08067	1.3
95.08611	15.9
97.06561	5.6
97.10162	2.6
99.08105	1.1
105.04447	0.9
105.07033	19.2
107.04942	1.4
107.08600	10.8
109.06516	1.8
109.10176	6.7
111.08076	2.3
115.05466	3.1
116.06271	1.8
117.07019	28.3
119.08582	17.5
121.06449	1.0
121.10145	7.3
123.08063	2.0
125.09618	2.4
128.06171	4.9
129.07007	12.6
130.07819	4.8
131.08574	33.7
133.06506	2.9
133.10133	15.8
135.08080	2.3
135.11708	1.6
137.09636	2.6
141.06975	7.4
142.07793	2.7
143.08563	12.8
144.09328	0.9
145.06480	3.5
145.10130	71.1
146.10533	1.1
147.08029	2.9
147.11687	7.6
149.09608	3.3
151.11182	1.3
154.07797	1.6
155.08556	9.0
156.09317	1.5
157.10127	16.4
159.08051	3.8
159.11702	27.9
161.09613	4.8
161.13255	3.2
163.11177	4.4
165.12773	2.0
167.08588	1.2
168.09326	1.9
169.10138	11.2
171.11696	16.0
173.09647	13.2
173.13249	10.4
175.11206	9.0
175.14790	4.3
179.14270	0.9
182.10887	1.9
183.11687	13.6
184.12346	0.8
185.13255	5.8
187.11211	7.9
187.14755	1.3
189.12762	3.2
196.12706	0.9
197.13274	14.4
197.77049	1.1
198.13988	1.1
199.14839	1.6
201.12766	6.5
209.13116	0.8
210.13992	1.5
211.14793	4.8
213.16364	9.9
215.14381	4.5
215.17923	6.3
229.15851	2.1
229.19519	3.7
239.17947	37.1
257.19019	100.0
258.19244	1.9
258.27914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Albonoursin
Peak:m/z	Relative Intensity
50.32064	0.8
52.58976	0.8
53.03924	1.4
55.05495	2.4
57.03419	0.9
57.19855	0.7
58.20214	0.8
61.83500	0.8
62.67849	0.8
64.56356	0.9
65.03648	0.8
65.03950	5.1
67.05515	5.8
69.07054	1.6
71.50208	0.9
76.60649	0.9
79.05502	2.3
79.32533	0.7
81.03371	0.9
81.07047	2.8
82.02919	1.0
91.05471	2.9
92.05023	6.7
93.05790	0.8
93.07043	2.3
94.06571	3.0
95.04967	1.8
95.07475	0.9
95.08606	3.0
98.97576	0.9
103.05503	1.1
105.07011	2.9
107.08633	1.2
108.08092	1.1
109.10180	1.5
115.05506	1.1
117.07006	1.3
119.08562	1.7
120.04459	3.2
121.06528	1.3
121.10153	0.9
122.06017	2.2
124.07630	0.9
128.06209	1.7
129.07001	3.1
130.06541	1.3
131.07286	0.9
131.08568	2.8
133.10133	1.8
136.07578	2.5
141.06981	1.6
142.06540	1.6
142.07684	0.9
143.07422	1.0
143.08513	2.0
144.08116	2.2
145.06494	1.6
145.08981	1.3
145.10127	5.6
146.05995	1.1
154.06540	3.0
155.06123	1.0
155.07326	1.2
155.08606	1.0
156.08118	2.9
157.08926	0.8
157.10136	2.9
159.11693	2.1
160.07616	3.1
167.08562	1.4
168.06804	1.2
168.08119	2.3
169.08899	5.9
169.10048	1.3
170.06035	1.1
171.09187	2.4
171.10468	1.3
171.11784	1.2
172.07578	2.3
172.09955	3.8
173.13255	2.8
174.09328	1.0
182.05977	1.9
183.06833	1.9
183.09242	3.0
184.07626	3.8
184.11223	8.5
185.07103	2.6
185.10718	6.0
186.07973	0.8
186.11514	9.6
186.12938	1.2
187.08620	2.4
189.10349	1.2
196.07631	1.8
196.10103	1.8
197.08362	8.9
197.13194	1.2
198.07831	1.5
199.08571	10.0
200.09445	18.3
200.13071	1.1
201.10333	3.9
201.13890	14.1
202.12123	1.4
209.07111	0.9
211.08679	4.5
211.12340	1.4
211.14679	0.8
212.10727	15.8
213.06610	10.9
213.10204	13.0
214.07393	2.9
214.10828	8.2
224.09436	2.8
227.08177	10.9
228.08896	30.5
229.09827	28.5
229.13359	51.2
239.11801	4.0
239.17966	2.0
240.10133	5.2
241.09720	22.7
242.10518	40.5
257.08264	2.7
257.12875	100.0
257.22659	2.3
258.13269	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.3
56.96828	0.3
59.05009	0.5
61.02928	0.7
68.98286	0.4
69.79020	1.7
79.05507	0.4
86.99324	0.4
94.06561	0.3
101.00890	0.6
109.01408	0.4
110.06073	0.7
111.41891	0.3
113.00872	0.4
118.06548	0.7
119.01960	0.4
120.08106	47.5
121.08917	0.4
127.02421	5.7
138.09145	0.6
145.03473	8.1
146.09645	0.7
148.07545	0.5
151.02441	0.4
163.03886	0.8
164.10718	100.0
165.11116	1.4
166.08611	0.4
168.05086	0.4
169.03470	11.9
169.04916	0.6
170.03680	0.5
171.05067	0.6
178.08597	0.8
187.04529	7.3
192.05029	1.7
192.10194	1.1
196.09647	0.4
196.13351	4.8
197.02951	0.8
200.51886	0.3
210.06119	0.8
215.04019	1.1
216.12456	0.3
224.12860	1.3
233.05161	0.9
238.05528	0.7
251.06189	1.2
256.06696	1.0
256.11813	0.9
256.15445	11.7
269.07144	0.4
274.07770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32064	0.8
52.58976	0.8
53.03924	1.4
55.05495	2.4
57.03419	0.9
57.19855	0.7
58.20214	0.8
61.83500	0.8
62.67849	0.8
64.56356	0.9
65.03648	0.8
65.03950	5.1
67.05515	5.8
69.07054	1.6
71.50208	0.9
76.60649	0.9
79.05502	2.3
79.32533	0.7
81.03371	0.9
81.07047	2.8
82.02919	1.0
91.05471	2.9
92.05023	6.7
93.05790	0.8
93.07043	2.3
94.06571	3.0
95.04967	1.8
95.07475	0.9
95.08606	3.0
98.97576	0.9
103.05503	1.1
105.07011	2.9
107.08633	1.2
108.08092	1.1
109.10180	1.5
115.05506	1.1
117.07006	1.3
119.08562	1.7
120.04459	3.2
121.06528	1.3
121.10153	0.9
122.06017	2.2
124.07630	0.9
128.06209	1.7
129.07001	3.1
130.06541	1.3
131.07286	0.9
131.08568	2.8
133.10133	1.8
136.07578	2.5
141.06981	1.6
142.06540	1.6
142.07684	0.9
143.07422	1.0
143.08513	2.0
144.08116	2.2
145.06494	1.6
145.08981	1.3
145.10127	5.6
146.05995	1.1
154.06540	3.0
155.06123	1.0
155.07326	1.2
155.08606	1.0
156.08118	2.9
157.08926	0.8
157.10136	2.9
159.11693	2.1
160.07616	3.1
167.08562	1.4
168.06804	1.2
168.08119	2.3
169.08899	5.9
169.10048	1.3
170.06035	1.1
171.09187	2.4
171.10468	1.3
171.11784	1.2
172.07578	2.3
172.09955	3.8
173.13255	2.8
174.09328	1.0
182.05977	1.9
183.06833	1.9
183.09242	3.0
184.07626	3.8
184.11223	8.5
185.07103	2.6
185.10718	6.0
186.07973	0.8
186.11514	9.6
186.12938	1.2
187.08620	2.4
189.10349	1.2
196.07631	1.8
196.10103	1.8
197.08362	8.9
197.13194	1.2
198.07831	1.5
199.08571	10.0
200.09445	18.3
200.13071	1.1
201.10333	3.9
201.13890	14.1
202.12123	1.4
209.07111	0.9
211.08679	4.5
211.12340	1.4
211.14679	0.8
212.10727	15.8
213.06610	10.9
213.10204	13.0
214.07393	2.9
214.10828	8.2
224.09436	2.8
227.08177	10.9
228.08896	30.5
229.09827	28.5
229.13359	51.2
239.11801	4.0
239.17966	2.0
240.10133	5.2
241.09720	22.7
242.10518	40.5
257.08264	2.7
257.12875	100.0
257.22659	2.3
258.13269	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08239	0.5
51.99848	0.6
68.98301	3.4
69.97558	2.8
82.01450	1.6
82.81063	0.5
82.99864	1.3
85.01423	0.7
85.02907	0.7
86.99347	3.0
89.03903	0.7
90.36907	0.5
93.59270	0.6
95.70238	0.6
97.01407	1.7
97.02881	1.1
98.21462	0.7
99.02998	0.7
100.02473	1.0
101.00901	5.9
103.02433	0.8
105.00315	0.9
109.01369	4.2
111.02950	0.7
113.00878	1.3
115.02419	2.8
117.03996	1.6
119.01952	4.6
120.08150	1.1
127.02431	43.3
129.03963	1.7
131.01920	1.4
133.03427	0.8
137.01970	0.8
137.02991	0.7
141.03952	1.6
143.01929	1.2
144.55920	0.7
145.03481	69.9
146.03673	1.1
147.05061	0.7
150.04047	1.9
150.09146	1.2
151.02428	2.2
152.05705	0.8
153.03973	2.1
155.01912	1.6
157.03540	1.5
161.02910	0.8
163.03960	2.8
164.04361	0.7
164.10719	3.3
168.05070	6.4
169.03477	100.0
170.03610	1.2
171.01483	0.7
171.05064	4.7
173.02942	1.4
178.08598	1.3
179.01904	1.3
187.04544	55.1
188.04720	1.4
189.02522	1.2
192.03459	1.1
192.05081	12.5
194.03012	0.6
197.02960	5.8
210.06143	5.5
215.00583	0.8
215.04022	8.6
224.41301	0.7
228.07126	1.1
233.01474	4.4
233.05048	8.8
238.05577	4.9
240.20406	0.7
241.15887	0.7
251.02507	3.1
251.06142	11.7
256.03046	5.9
256.06644	9.5
256.11847	2.2
269.07181	4.4
274.04227	1.9
274.07721	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12939	0.8
53.48106	1.1
55.01866	2.0
57.03415	3.4
58.99856	5.9
61.02914	2.4
68.98299	4.8
69.03419	3.8
71.01361	0.9
71.48205	1.3
73.02901	3.8
77.00907	1.8
79.00375	2.4
81.03394	1.1
82.01455	6.7
82.99825	2.3
83.04960	1.4
84.98979	1.0
85.01408	2.2
85.02897	7.2
86.99325	3.4
87.04465	1.9
89.03903	1.0
91.00542	0.9
94.06573	1.6
97.01391	21.0
97.02876	4.9
99.02959	4.7
100.02478	11.5
101.00887	13.3
103.02431	1.7
105.00372	1.6
109.01334	4.7
111.02912	1.1
113.00861	7.1
113.02371	1.0
115.02433	40.2
115.03819	1.6
117.04025	8.3
118.03532	3.5
119.01913	14.2
120.08059	2.7
124.03929	6.5
125.00864	2.4
127.02421	43.4
127.03851	2.0
129.01897	1.1
129.03984	2.9
131.01920	5.4
133.03462	13.1
135.00642	1.1
135.04298	1.4
135.05171	1.3
137.02998	1.1
138.04022	2.2
142.03508	1.9
143.01912	10.7
145.03468	85.4
146.03607	1.6
147.04971	1.5
150.04021	1.7
151.02374	1.9
153.00298	2.7
153.03946	2.2
155.01901	1.8
156.05136	1.3
157.03467	3.4
158.06590	1.4
159.01382	1.9
159.04893	1.0
160.04739	3.1
161.02945	5.0
161.04359	1.2
163.03740	5.7
164.04309	1.0
164.10719	5.8
166.03517	1.7
168.05104	8.4
169.03465	97.3
171.01405	13.8
171.04990	4.8
173.02939	3.3
174.48363	1.0
184.04555	5.5
185.02931	1.9
187.00967	5.8
187.04517	63.9
189.02448	17.7
189.03967	1.8
192.05067	12.6
194.03008	3.0
196.99210	2.3
197.02943	7.9
203.03973	2.0
205.01920	1.8
207.03502	6.8
210.02466	1.7
210.06152	4.6
212.04034	20.3
215.00351	10.9
215.03995	9.2
228.07285	1.2
230.05066	6.4
233.01430	72.9
233.04877	9.4
234.01682	1.4
238.01952	2.0
238.05577	4.6
251.02483	71.8
251.06113	10.1
252.02693	1.5
256.03030	100.0
256.06589	7.5
256.11780	3.9
257.03036	2.0
269.07126	5.7
274.04077	38.0
274.07684	8.3
279.04672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01868	3.1
55.05520	28.8
57.03443	53.0
57.07067	4.8
59.04996	1.9
61.53136	1.9
62.57006	2.0
65.03938	2.7
67.05509	79.1
69.07070	27.1
71.01355	6.0
71.05003	8.2
71.49464	2.2
73.46439	1.5
79.05502	77.7
81.03429	9.5
81.07063	39.9
83.04989	21.5
83.08622	6.9
85.06539	5.1
91.05496	30.8
93.07053	83.8
95.04969	8.5
95.08603	11.9
97.06541	20.6
97.10184	17.5
98.97871	3.5
98.98475	32.9
105.07016	6.7
107.04960	2.9
107.08606	58.6
109.06510	2.8
109.10178	10.1
111.08079	4.2
117.07029	10.0
119.08602	10.1
121.06504	2.3
121.10151	9.8
125.09636	3.6
129.07028	2.1
133.10156	5.6
135.08171	1.9
135.11703	100.0
143.08517	2.9
145.10150	17.9
153.12886	3.4
157.10144	3.7
163.11211	11.7
171.11656	2.0
181.12227	20.1
185.09482	1.7
199.13251	1.9
205.27396	1.6
213.16374	1.8
255.11664	3.0
255.15733	36.8
255.21210	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01871	5.5
55.05519	27.7
57.03443	49.4
57.07073	6.0
65.03956	2.7
65.20136	2.0
67.05510	80.8
68.05805	2.0
69.07074	25.5
69.20171	9.8
69.20592	8.0
71.01344	6.5
71.04989	8.2
77.03916	1.7
79.05501	68.8
81.03415	5.8
81.07066	30.0
83.04986	20.2
83.08616	6.5
85.06540	4.4
91.05489	29.5
93.07055	80.9
95.04965	5.0
95.08617	14.6
97.06543	19.2
97.10180	19.2
98.98473	25.1
105.04513	2.3
105.07034	7.3
107.04909	2.4
107.08604	49.3
109.10146	7.7
111.08086	3.0
117.07021	7.9
119.08572	10.4
121.06499	2.0
121.10162	10.9
125.09658	2.8
129.07057	2.2
130.07726	4.3
131.08652	2.2
133.10136	6.2
135.08052	2.7
135.11707	100.0
136.12029	2.0
137.09631	2.8
143.08569	4.8
145.10147	19.5
153.12788	4.6
155.08534	2.1
156.09332	2.0
157.10289	2.3
163.10034	1.9
163.11214	12.0
171.11710	3.6
181.12262	16.2
185.13293	2.2
195.11763	2.5
199.11311	2.8
199.13260	2.4
207.11743	3.2
209.11803	3.1
211.14828	9.8
213.16345	2.8
237.16432	13.3
255.15858	24.2
255.17691	15.8
255.20401	3.5
255.21164	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	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89543	1.6
53.03959	3.1
55.01875	4.0
55.05280	1.8
55.05519	29.9
57.03444	51.9
57.07070	6.7
65.03931	3.6
67.05509	86.6
68.05845	1.7
69.03433	2.2
69.07074	24.0
69.27876	13.7
69.28295	2.1
71.01347	6.9
71.05014	8.7
79.05504	76.1
81.03438	9.5
81.07067	39.4
83.04993	20.4
83.08617	8.2
85.06539	5.4
91.05484	30.1
93.07053	88.5
95.04953	5.1
95.08623	10.5
97.06538	17.9
97.10175	20.2
98.98479	26.9
99.08076	3.2
105.04470	3.3
105.07025	6.9
107.08606	60.7
109.10186	11.5
111.08073	4.2
117.06998	6.6
119.08601	8.9
121.06571	2.8
121.10182	10.1
125.09643	3.7
130.07721	2.1
131.08624	2.2
133.10141	6.0
135.08096	3.0
135.11702	100.0
137.09601	2.7
143.08574	3.5
145.10146	17.7
145.64688	2.0
153.12680	4.1
157.10167	2.1
163.11215	11.6
171.11601	2.0
181.12273	22.5
195.11749	1.9
209.11707	5.4
211.14778	5.0
237.16380	3.7
255.15491	26.2
255.17931	6.1
255.20020	2.9
255.20993	2.1
255.23323	2.8
256.26324	5.2
260.43961	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	255.0865
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
53.03952	8.3
55.01874	4.6
55.43315	1.5
65.03938	9.9
67.05505	7.2
69.03421	6.1
69.23517	1.5
70.65443	4.7
71.01342	1.7
71.04987	2.5
77.03938	2.0
77.54435	1.4
79.05496	10.6
81.03416	3.3
81.07047	3.0
83.04974	1.6
85.07439	1.5
91.05479	18.2
93.03396	7.8
93.07047	11.9
95.04971	100.0
97.02892	6.0
97.06536	2.1
98.98463	8.3
103.05466	5.9
105.03405	2.1
105.04513	3.9
105.07047	10.7
105.36461	1.3
107.04958	34.6
107.08574	2.7
108.35872	1.6
109.02887	2.2
109.06509	2.7
111.04432	4.8
115.05458	6.6
117.07019	24.1
119.08605	5.5
121.02873	29.5
121.03891	2.3
121.06499	18.3
123.04427	46.7
123.08052	2.4
125.02350	15.3
125.06010	1.8
129.07021	6.0
131.04927	6.2
133.02850	4.4
135.04398	4.2
135.08061	7.5
139.03886	8.3
145.06482	21.3
147.04414	4.1
147.08096	7.4
149.02347	7.9
149.06024	17.8
151.03905	46.0
153.05519	1.9
155.06046	3.5
159.04428	2.9
163.07536	16.5
167.03416	29.9
167.07066	2.0
169.04967	4.5
173.06010	13.8
175.03893	6.5
175.07559	4.4
177.05482	9.8
185.04456	59.0
191.07027	31.6
193.08606	3.0
195.06436	1.8
201.05502	5.4
204.27614	1.4
209.08112	3.3
219.06563	12.1
237.07523	10.0
243.04715	1.4
249.42189	1.4
255.08618	22.6
271.07181	1.7
277.80527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01877	4.1
55.05525	2.1
57.03440	1.7
57.70229	1.3
65.03944	8.7
67.05502	9.3
69.03429	5.2
69.07065	2.7
69.42110	5.2
69.42537	5.4
71.04996	4.8
77.03941	2.2
79.05492	10.4
81.03436	3.8
81.07053	7.3
83.04989	2.4
83.08626	2.4
83.16545	1.3
85.02890	1.4
91.05496	13.8
93.03393	8.7
93.07058	14.0
95.04980	100.0
95.08611	3.5
96.05301	1.4
97.02913	7.5
97.06539	3.3
98.21519	1.9
98.98483	34.2
100.98889	1.4
103.05467	5.3
105.03399	2.9
105.04531	3.6
105.07031	7.6
107.04961	27.4
107.08604	5.5
109.06523	12.9
110.55682	1.3
111.04444	5.4
115.05509	7.5
116.47483	1.3
117.07036	18.8
119.04919	2.5
119.08597	4.5
121.02882	30.4
121.03989	8.8
121.06511	11.8
121.10126	1.5
123.04446	43.7
125.02370	15.3
125.06006	2.0
128.06203	1.5
129.07027	3.3
131.04936	6.2
133.02861	3.0
135.04482	4.0
135.08072	6.3
137.05945	1.6
139.03911	7.2
139.05054	4.0
145.06494	20.7
145.10056	1.3
147.04434	3.9
147.08054	4.2
149.02394	6.7
149.06026	13.5
151.03925	82.7
153.05481	41.4
153.06754	2.3
155.06067	4.2
159.04448	5.7
159.11668	2.0
161.13341	1.3
163.07581	12.6
163.11261	1.6
165.05618	1.9
167.03416	23.2
167.07100	2.6
169.05006	3.3
173.06013	13.6
175.03937	10.0
175.07574	2.7
177.05432	6.9
181.05025	1.7
181.06494	2.0
185.04483	58.2
191.07043	24.0
193.08705	2.8
195.06332	1.6
201.05524	2.7
209.06134	1.9
209.08102	2.1
219.06578	9.2
227.07043	2.1
237.07611	9.5
237.12492	1.3
255.02914	2.0
255.06444	6.0
255.08672	10.6
255.10699	2.1
255.13666	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	255.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07893	2.2
53.03940	13.3
55.01859	8.3
55.05497	9.1
56.96551	13.0
57.03452	14.8
57.07038	2.1
61.02916	4.9
65.03931	6.1
65.35545	2.1
67.05506	14.9
68.99802	4.1
69.03432	52.8
69.07049	2.3
69.95816	4.5
69.96230	5.8
70.06589	2.4
71.01342	5.2
71.04955	3.7
73.02894	6.4
79.05492	17.9
81.03418	83.5
81.07020	5.9
83.01342	2.3
83.04501	3.1
83.04982	48.8
85.02902	51.8
87.04474	3.1
91.05479	13.3
93.03400	2.2
93.07038	6.6
95.01337	3.2
95.04969	39.4
97.02898	25.7
97.06548	2.4
98.98467	69.2
99.04438	8.8
100.79200	2.7
100.98893	2.6
101.02436	2.9
103.03902	3.9
103.05455	9.2
105.07027	8.3
107.04956	23.6
109.02880	100.0
109.06509	4.7
111.04442	67.0
113.02365	7.4
115.05444	5.8
117.07003	5.1
119.04917	9.7
120.08091	16.7
121.06480	11.4
123.04428	30.2
125.05952	3.6
125.27066	2.1
127.02427	5.7
127.03932	11.5
131.04877	5.2
135.04440	17.5
137.05949	12.6
139.03874	6.8
143.00180	7.0
144.00456	3.2
145.03569	11.5
145.06471	6.0
147.04376	7.7
149.02319	2.2
149.06001	11.0
151.03935	10.9
153.05457	10.1
153.06989	7.2
158.90714	2.3
159.04436	4.2
161.06133	2.7
163.03920	19.5
163.07512	4.9
164.10707	30.3
165.05577	11.3
165.06744	2.9
167.07135	4.3
169.03456	9.6
169.04840	3.9
173.02374	4.0
173.04626	2.1
175.03835	3.6
177.05498	14.3
181.06421	10.4
181.10512	6.6
184.05344	2.6
185.05914	2.6
187.04517	8.0
189.05339	2.7
191.07066	6.2
192.05008	3.1
193.04922	3.3
195.06493	3.8
196.13368	2.3
199.07567	2.4
209.06035	4.7
213.05490	8.4
219.06522	7.9
227.07062	18.2
231.01750	2.9
232.02159	3.2
237.07562	7.3
249.02777	4.2
250.03168	5.4
255.06451	31.5
255.08650	41.4
255.11313	3.4
255.14023	6.7
256.15405	4.3
258.53201	2.3
270.38519	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	254.1025
Annotation	CJ 14897
Peak:m/z	Relative Intensity
53.03941	1.8
55.01844	0.5
56.96572	2.8
57.03437	1.5
61.02927	0.6
61.52778	0.4
66.34096	0.4
67.05503	1.2
69.03423	1.7
70.02950	0.5
70.16283	0.4
71.05015	0.7
71.48013	0.4
73.02916	1.3
74.06073	0.4
74.27337	0.4
74.60943	0.5
76.48684	0.5
79.05510	2.1
80.05016	1.0
81.03419	1.5
81.07073	1.1
83.05006	0.7
84.04498	0.7
84.08153	0.5
85.02917	4.2
87.04471	0.7
91.05502	0.9
93.07066	1.1
94.06585	1.2
95.04990	0.9
97.02896	1.8
98.98488	2.3
99.04417	0.6
101.00882	1.9
106.06588	3.3
107.04955	2.0
109.02914	0.5
111.04469	0.5
112.07668	0.8
113.00876	0.7
113.02419	0.5
115.02413	0.7
117.03364	0.5
118.06549	0.9
118.96608	0.5
119.01920	2.9
120.02008	0.8
120.08114	2.6
120.89091	0.4
121.06539	1.0
121.12059	0.5
122.06073	0.8
124.07596	4.7
124.99136	1.1
127.03897	0.6
130.04977	0.9
131.01920	1.0
132.08096	3.3
133.08858	2.2
135.04524	0.7
141.02226	0.7
143.00160	1.3
143.01929	1.0
144.99829	1.2
145.03470	1.3
146.06035	1.3
146.09673	0.7
147.01402	0.6
147.05043	0.5
148.07616	1.3
150.09178	1.1
155.01936	0.9
155.05559	0.8
156.97475	0.5
157.03494	0.5
158.04984	0.6
160.07605	1.0
161.01207	0.6
163.03868	3.3
164.07111	5.0
165.04027	0.6
166.08672	1.8
167.05566	0.8
168.06578	10.6
169.03467	0.7
172.60864	0.4
173.03026	1.2
174.04514	0.7
176.07071	4.5
177.07906	0.6
178.08653	12.2
180.06609	1.2
183.04961	0.6
185.02991	1.1
187.04541	0.7
192.06610	0.9
192.10220	1.4
194.08151	32.1
195.08821	1.7
203.03975	0.7
204.06558	0.9
208.09662	3.6
209.10393	0.6
212.01245	0.6
212.09229	4.2
213.02441	0.7
221.03137	0.6
222.07646	8.4
230.98044	0.5
231.01755	1.2
231.03694	0.9
236.09074	1.5
243.05418	1.2
245.05003	0.7
248.99277	2.7
249.02840	3.0
254.10260	100.0
255.10620	1.5
267.00302	0.7
272.04437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03944	3.0
55.01867	3.6
55.05521	5.8
56.05868	1.1
57.03443	1.2
57.07080	1.2
58.46500	0.9
65.03954	1.4
66.20696	0.8
67.05515	11.6
69.03423	3.8
69.07073	5.9
71.04671	1.7
71.05000	7.4
77.03934	1.1
79.05495	21.4
81.03408	1.1
81.06591	2.2
81.07064	39.3
83.04985	6.9
83.08624	3.0
85.06539	4.7
91.05481	14.5
93.06487	2.2
93.07052	32.8
95.04980	12.6
95.08613	13.2
97.06541	15.0
98.98475	100.0
99.04465	6.6
101.06001	1.6
103.05473	1.6
105.07040	22.3
107.04965	5.2
107.08606	17.4
108.55198	0.9
109.05801	2.1
109.06523	31.2
109.10143	4.6
111.04449	2.6
111.08097	4.6
113.06013	2.7
115.05459	1.5
117.07009	3.2
119.04908	1.8
119.08596	16.3
121.06515	78.6
121.10164	3.7
123.04444	6.0
123.08077	5.9
125.06001	3.1
127.07560	9.3
128.06192	1.9
129.07016	3.9
131.08592	4.3
133.06509	2.4
133.10149	7.1
135.04431	4.9
135.08070	8.0
135.11678	1.5
137.05981	3.0
137.09654	3.0
139.07555	16.2
141.05464	3.1
141.07057	1.0
142.07787	4.1
143.07066	0.9
143.07587	1.2
143.08571	9.0
145.10165	5.8
147.08089	4.6
147.11696	21.3
149.05954	1.0
149.09644	2.3
151.07561	1.9
151.11217	1.3
151.13319	1.0
152.84703	1.1
155.08609	1.3
156.09378	3.5
157.06467	2.0
157.08765	2.4
157.10155	12.0
159.08006	1.5
160.08823	1.7
161.05983	3.3
161.09654	1.6
161.13263	9.7
165.07002	3.3
165.12726	3.4
166.07822	3.8
169.06479	1.1
171.11708	14.1
173.09688	2.2
174.99161	1.5
175.07721	1.2
175.11195	14.2
176.11636	1.1
176.98947	1.6
178.07742	1.2
179.08578	1.3
181.10156	5.2
184.08858	1.2
189.07060	1.0
189.09097	1.0
189.12758	18.4
191.10751	1.9
193.12254	15.5
199.11214	25.5
207.08148	5.6
207.13860	7.3
211.13284	1.1
217.12256	69.7
221.06142	1.0
225.09180	1.1
235.07916	2.4
235.13316	27.5
235.17000	2.5
253.08714	3.0
253.14409	15.8
253.17113	1.5
253.18069	1.8
270.62961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03931	1.2
55.01878	6.9
55.05509	4.4
57.03426	3.0
57.07063	1.8
59.04996	0.7
65.03909	1.1
67.05511	23.5
67.40832	0.8
69.03422	2.2
69.07078	5.7
69.22249	7.2
69.33603	0.8
71.04982	2.8
77.64017	0.9
78.25548	0.7
79.05500	9.5
81.03400	2.9
81.07063	23.4
83.04984	5.3
83.08624	1.7
83.09637	0.8
85.06531	3.3
91.05484	21.4
93.07044	8.3
95.04978	2.9
95.08589	5.2
97.06533	1.6
98.21545	1.3
98.98473	100.0
99.04456	1.2
100.98875	1.4
103.03930	0.9
105.07040	17.4
107.08600	14.2
109.06517	3.1
109.10164	24.5
113.06007	1.3
116.99452	1.2
117.06934	0.9
119.08562	3.2
123.08061	1.2
123.11742	4.8
127.07482	1.2
127.15714	0.8
131.08546	0.8
133.10136	32.8
140.01018	1.1
151.11174	16.8
158.84860	0.9
161.09589	1.8
169.12233	2.9
174.99216	1.7
176.98943	1.9
183.11705	1.1
197.11665	0.9
197.13271	0.9
215.12714	0.9
253.14349	62.9
253.19687	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	253.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.1
52.79026	1.0
53.03937	3.6
55.01866	2.4
55.05503	3.8
59.71467	1.1
63.88617	0.9
67.05511	9.9
69.03426	2.6
69.07068	3.4
71.04984	5.9
71.48442	2.2
72.94521	0.9
79.05499	14.5
81.03410	1.1
81.07060	25.9
83.04972	4.3
83.08614	2.4
85.06565	1.4
86.00665	3.0
91.05482	13.0
93.06495	1.4
93.07051	21.5
95.04967	8.7
95.08609	11.5
97.06545	9.5
98.98474	100.0
99.04427	4.7
100.98917	1.2
105.07032	15.8
107.04951	4.0
107.08601	8.9
109.02918	1.4
109.06522	18.7
109.10187	2.2
111.08076	2.5
111.53094	1.1
113.06010	2.4
116.99526	1.7
117.07054	2.4
119.04980	1.1
119.08585	9.8
121.06514	53.4
121.10139	2.4
123.04431	3.8
123.08057	2.6
125.05993	2.0
126.91662	1.1
127.03864	1.2
127.07545	4.8
128.06200	1.9
129.06978	3.2
131.08583	2.9
132.13661	1.1
133.06508	3.1
133.10138	5.7
135.04414	4.4
135.08052	6.8
137.05962	2.3
139.07544	8.8
141.06949	1.1
142.07779	3.3
143.06947	1.7
143.08553	4.8
145.10126	3.7
147.08066	3.4
147.11717	14.5
152.04211	2.3
155.08595	1.2
156.09331	1.7
157.06483	1.3
157.08862	1.8
157.10100	9.0
161.09662	1.2
161.13260	6.2
163.03900	4.1
163.14911	1.4
165.07037	2.9
165.12759	1.7
166.07808	3.2
171.11681	8.0
173.09637	2.1
174.99260	2.4
175.07608	2.4
175.11238	7.6
175.14882	1.2
176.98985	1.8
181.10123	3.4
183.02982	2.2
184.08897	1.2
189.12761	11.9
193.12251	8.6
197.11867	1.7
199.11182	19.8
207.10167	3.2
207.13858	4.9
210.06728	1.3
211.13293	1.5
217.12253	45.6
221.06133	1.1
235.13315	19.3
253.07004	3.0
253.14487	9.9
254.15320	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	253.1435
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03929	2.7
55.01635	0.9
55.01876	11.0
55.05513	8.0
57.03423	3.4
57.07066	1.8
60.87522	0.8
62.44292	0.7
65.03902	1.5
67.05507	39.9
69.03418	4.0
69.07069	10.0
69.30944	5.0
69.31372	2.6
71.04975	3.9
79.05074	1.4
79.05495	17.2
81.03407	5.9
81.07060	36.3
83.04980	7.6
83.08612	3.5
85.06536	4.8
91.05488	34.3
93.07040	12.7
95.04978	5.1
95.08624	5.9
97.06520	2.9
97.10168	1.0
98.20791	1.5
98.98473	63.9
99.04458	1.8
105.07034	30.0
105.37405	0.9
107.04956	1.3
107.07886	1.4
107.08595	20.1
109.06563	4.3
109.10161	43.5
113.05991	2.3
117.07005	1.9
119.08574	2.9
123.11694	6.8
127.07536	3.3
128.06171	0.9
131.08542	1.7
133.10136	52.7
139.52641	0.8
143.08539	1.6
151.09984	1.4
151.11195	25.9
155.08498	0.8
161.09618	2.0
169.10223	0.9
169.12234	3.7
176.32524	0.8
179.10620	1.6
185.95044	0.9
189.48552	1.0
195.11377	1.0
215.12714	1.0
253.14337	100.0
253.19627	3.1
254.14545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01878	6.9
55.05509	4.4
57.03426	3.0
57.07063	1.8
59.04996	0.7
65.03909	1.1
67.05511	23.5
67.40832	0.8
69.03422	2.2
69.07078	5.7
69.22249	7.2
69.33603	0.8
71.04982	2.8
77.64017	0.9
78.25548	0.7
79.05500	9.5
81.03400	2.9
81.07063	23.4
83.04984	5.3
83.08624	1.7
83.09637	0.8
85.06531	3.3
91.05484	21.4
93.07044	8.3
95.04978	2.9
95.08589	5.2
97.06533	1.6
98.21545	1.3
98.98473	100.0
99.04456	1.2
100.98875	1.4
103.03930	0.9
105.07040	17.4
107.08600	14.2
109.06517	3.1
109.10164	24.5
113.06007	1.3
116.99452	1.2
117.06934	0.9
119.08562	3.2
123.08061	1.2
123.11742	4.8
127.07482	1.2
127.15714	0.8
131.08546	0.8
133.10136	32.8
140.01018	1.1
151.11174	16.8
158.84860	0.9
161.09589	1.8
169.12233	2.9
174.99216	1.7
176.98943	1.9
183.11705	1.1
197.11665	0.9
197.13271	0.9
215.12714	0.9
253.14349	62.9
253.19687	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	252.1596
Annotation	Furmecyclox
Peak:m/z	Relative Intensity
55.05485	1.7
57.03413	0.6
59.05009	3.4
64.64283	0.4
70.73560	0.7
70.73885	1.0
73.06554	0.6
75.71894	0.5
79.05476	1.3
81.07027	1.6
83.25970	0.5
91.05479	1.4
98.41334	0.4
98.97871	0.9
98.98471	9.8
102.74310	0.4
103.05454	1.4
104.03462	0.8
105.07026	0.6
106.06550	0.7
107.04955	2.2
109.06500	0.7
110.06068	0.6
114.69388	0.5
118.06549	1.6
119.03546	1.3
120.08108	90.0
121.08336	0.6
122.06060	0.5
122.09670	0.5
125.74121	0.5
131.04977	0.5
133.06494	0.7
136.06192	30.5
137.04601	0.7
138.09158	0.9
146.05975	1.0
152.10707	19.6
188.07190	0.8
192.10185	0.6
206.08191	3.3
210.11369	0.9
218.18204	0.5
220.13330	14.2
220.15331	0.9
222.11252	0.8
234.13501	4.9
252.16090	100.0
253.16388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01866	1.6
55.05519	4.6
56.96571	11.1
57.03440	2.1
58.06596	3.1
58.99860	0.8
60.08175	0.8
61.02917	2.4
63.02357	0.7
65.03938	0.9
65.74173	0.9
66.39480	0.7
67.05531	3.6
67.05806	0.8
69.03436	7.2
69.07063	1.2
70.06580	1.8
71.04983	1.2
71.48309	1.1
72.08161	4.5
73.02910	1.6
73.06562	10.7
79.05496	7.5
81.03426	13.0
81.04557	0.7
81.07056	6.8
82.03745	0.9
83.04973	2.5
83.08563	0.8
84.04494	1.1
84.08138	3.5
84.96059	0.9
85.02911	27.6
87.04452	2.7
89.03920	5.8
91.03964	0.9
91.05475	2.4
93.07034	2.4
95.04961	3.0
95.08606	1.4
97.02894	6.9
98.98475	100.0
99.04439	2.2
99.43852	0.7
100.98908	1.6
101.00882	6.7
103.00630	3.3
103.02468	1.1
105.07014	2.2
107.04962	21.5
107.08601	2.2
108.05308	2.5
109.02875	6.7
109.06519	3.5
110.07166	1.2
111.04461	1.0
112.07623	4.2
113.00860	0.8
115.00632	1.2
115.02447	1.3
116.98672	1.4
116.99486	1.9
117.03410	4.1
117.07044	1.3
119.01934	16.7
119.04896	1.1
120.02046	1.3
120.08118	13.9
121.01686	9.9
121.08467	5.0
123.04435	1.8
124.07576	5.6
124.99121	2.7
125.06020	1.0
127.02424	1.4
127.03918	8.3
129.03995	1.6
130.05013	4.9
130.08653	1.0
131.01903	2.7
131.03708	0.9
133.01646	0.9
133.06493	1.5
135.04417	8.0
135.08058	2.7
136.93138	0.9
137.02980	3.9
138.09167	0.9
139.02641	2.3
141.02200	1.7
142.03587	1.4
143.00175	5.9
143.01889	1.5
145.02812	4.4
145.03662	1.2
145.04910	4.3
146.03490	0.8
146.99577	0.9
149.01167	0.9
150.05554	1.1
151.03931	1.4
153.01852	4.7
153.02959	1.0
155.01950	1.6
155.05673	1.0
156.97447	1.0
157.03459	2.2
157.05264	0.7
158.06628	3.2
159.03215	2.0
159.05045	0.8
161.01224	3.2
161.02977	1.6
163.03909	25.1
163.06038	1.4
164.04259	2.9
164.07103	1.0
165.06866	1.2
167.03789	0.8
167.05534	1.2
169.01781	1.0
169.03470	1.8
170.99657	1.1
173.02910	1.1
173.57387	0.8
174.99062	2.5
176.07768	1.8
176.98869	1.2
181.05125	1.0
183.03316	1.0
183.05022	1.9
184.04529	3.0
185.01318	1.5
185.03043	1.7
185.04848	3.0
185.06506	1.0
187.02763	1.3
187.04492	1.2
187.92790	1.0
188.07707	2.9
189.00781	1.2
192.10194	1.6
193.10509	8.6
195.11334	1.3
196.09828	0.9
201.04306	1.4
201.06105	2.6
203.02309	1.1
203.05890	1.3
207.05049	2.9
209.04807	5.7
209.06613	2.5
210.99080	0.8
211.00922	4.2
211.04594	1.0
211.06354	1.2
211.08163	1.6
212.07626	3.9
221.03069	1.7
221.10086	1.6
227.05725	6.7
227.07883	1.4
229.01935	1.5
230.08752	2.6
231.01683	4.3
235.08022	2.2
238.09244	3.1
249.02869	7.2
253.01904	2.2
253.07314	3.1
253.09122	6.0
253.12532	10.0
253.15524	5.2
254.10156	2.4
254.13882	3.3
257.01373	1.4
266.08789	1.4
267.03903	1.7
268.17200	0.8
271.02795	1.3
271.10208	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	252.123
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
50.19754	0.6
50.35910	0.6
55.01864	0.8
58.67996	0.6
60.04520	0.7
67.05509	0.8
71.49779	0.6
79.05485	2.6
81.07056	1.4
91.05482	1.8
93.07047	0.7
98.98470	29.4
103.05466	3.7
104.06258	1.0
105.07034	29.0
109.10141	0.6
115.05451	5.2
118.04142	2.2
131.04932	1.4
132.05774	0.6
132.08089	1.2
133.06496	26.5
143.06047	2.2
146.05954	1.1
149.05922	0.6
158.49699	0.6
160.05453	0.9
160.07588	26.9
161.05984	35.8
161.08124	1.3
167.07024	3.2
172.20805	0.6
176.07025	0.7
178.06253	0.9
178.08577	0.9
188.07065	4.4
191.09418	28.7
192.09923	1.0
193.08612	38.7
200.82962	0.7
205.98808	1.6
206.08147	10.9
208.09732	2.9
210.11230	6.2
219.08920	7.6
220.09698	1.7
222.07657	2.8
223.14528	0.7
236.09151	1.7
237.07730	1.1
237.09972	12.4
252.12315	100.0
253.12503	1.2
270.12518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14545	0.5
62.36397	0.4
68.99783	0.7
70.02918	0.6
70.64655	1.1
79.05505	0.5
87.00832	3.2
91.05486	1.0
93.07047	2.0
96.76891	0.5
98.98474	6.1
103.05473	8.7
107.04954	0.9
109.10254	0.6
118.06550	9.4
120.08115	100.0
128.04968	1.2
133.03169	0.6
136.06209	5.9
138.09174	1.2
146.06021	16.1
155.56419	0.5
166.08667	1.7
188.07079	18.5
192.06584	1.3
206.08147	54.9
216.06653	0.8
234.07742	0.8
252.08548	0.7
252.12419	1.0
252.14407	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82030	0.8
70.07677	3.7
70.24114	0.9
73.06538	1.3
76.96134	0.8
79.05502	5.4
81.07046	1.3
87.00843	3.0
91.05486	1.2
93.07044	1.9
98.98473	20.4
101.29089	0.8
103.05484	9.4
104.03496	6.9
106.06573	4.7
107.04956	14.9
107.07378	1.4
107.08575	0.8
108.08116	4.6
118.06557	10.0
120.08110	100.0
123.06892	0.8
128.04984	1.7
131.04950	4.0
135.11717	1.9
136.06190	18.7
138.09146	12.6
146.06017	19.2
149.05986	1.3
161.05843	1.2
166.08672	2.0
174.68539	0.7
184.02208	0.7
188.07074	20.2
192.06583	4.5
193.70125	0.7
206.08134	56.7
207.04890	1.0
207.08694	0.9
207.97725	0.8
208.09744	1.0
234.07632	1.8
234.13515	2.4
252.15935	16.1
252.18810	1.4
252.19759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01876	1.5
55.05508	4.1
57.03430	0.9
57.07073	1.4
63.99203	0.6
65.03948	0.8
67.05505	19.1
69.03422	0.8
69.07073	4.1
71.04993	1.9
71.49020	0.7
73.06592	0.7
75.13180	0.5
77.03947	0.6
79.05494	11.4
81.03419	30.7
81.07060	16.2
83.04985	2.5
83.08628	1.6
84.91750	0.6
85.06547	1.1
86.67305	0.5
90.26971	0.6
91.05486	11.2
93.07040	9.2
95.04375	1.2
95.04972	19.7
95.05572	1.1
95.08616	7.8
97.02921	0.5
97.06535	2.0
98.98468	100.0
103.05481	1.3
105.07030	9.2
107.04948	1.8
107.08595	5.8
109.06506	5.5
109.10164	2.0
111.08067	0.9
115.05476	0.6
116.99505	1.3
117.07018	3.9
119.08598	7.1
121.06500	8.9
121.10168	3.2
123.04441	0.8
123.08103	3.0
123.11684	2.6
128.06229	0.7
129.07013	2.7
131.08563	13.4
133.06511	0.9
133.10129	2.9
135.08064	3.0
135.11678	1.3
137.09634	1.1
140.01048	0.8
141.06949	1.1
143.08571	1.0
145.06546	1.1
145.10109	5.1
147.08060	1.7
147.11725	3.6
149.09669	1.4
149.13271	1.6
155.08595	1.1
158.07266	0.6
159.08102	1.0
159.11736	2.1
161.13333	0.9
163.11238	0.7
167.07060	0.7
169.10170	1.3
171.11723	2.5
173.09650	1.1
173.13281	2.3
174.99232	2.4
182.06078	0.6
187.14857	6.4
189.12691	0.7
197.13268	2.1
205.15945	1.4
215.14359	3.7
221.10782	1.3
233.15385	11.7
251.05309	0.6
251.12675	1.1
251.16348	10.1
251.20197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.01410	0.6
53.03920	0.7
55.01843	0.7
55.05487	2.2
57.03432	0.5
57.07076	3.2
59.04983	1.7
64.35104	0.7
67.05505	6.5
69.03432	2.9
69.07053	2.4
71.04997	17.5
71.09166	1.0
79.05489	3.8
81.03387	1.6
81.07059	6.2
83.04992	4.2
83.08606	1.6
85.02892	0.8
85.06532	1.9
91.05474	4.7
92.19975	0.6
93.07038	4.8
94.13383	0.6
95.04968	6.0
95.08612	6.3
97.02821	0.6
97.06544	4.1
98.88512	0.6
98.98466	100.0
99.04440	1.2
103.05455	1.7
105.07036	5.6
107.04966	2.5
107.08600	6.5
108.08115	1.6
109.06508	2.7
109.10155	6.0
111.08088	2.9
113.05990	2.6
115.05479	0.9
116.99515	1.3
117.07035	2.2
119.08597	7.2
121.06528	3.1
121.10150	7.9
122.07294	0.8
123.08055	4.4
123.11711	1.8
125.02329	0.9
125.06002	7.3
128.06197	0.6
129.07001	1.2
130.07799	0.7
131.08569	2.6
133.06485	1.3
133.10138	2.2
135.08076	1.3
135.11700	2.3
137.05974	0.9
137.09618	9.5
143.08566	1.3
144.08083	7.3
145.06583	1.0
145.10132	6.9
147.06841	0.8
147.08029	12.7
147.09093	1.0
147.11649	3.8
149.09642	3.0
149.13283	0.8
151.07585	2.4
151.11215	0.7
151.14861	1.1
153.09109	1.0
155.10727	0.8
157.10114	0.9
158.10826	0.6
159.11745	1.0
161.05905	0.7
161.09671	0.7
161.13351	0.6
163.07474	0.6
163.11169	14.8
163.14821	1.2
165.09192	0.8
167.07100	2.7
173.09663	1.8
173.13269	1.6
174.99304	2.2
175.11205	2.9
177.09193	0.9
179.14313	6.2
181.05011	1.3
181.12184	3.6
187.14876	1.7
189.05629	0.9
189.12843	0.7
191.10693	0.8
191.14436	2.2
193.12308	1.1
195.10181	1.7
205.15929	1.0
207.13911	2.0
215.10999	0.8
215.14331	3.2
218.09645	0.8
221.08122	0.9
221.10890	0.8
233.08197	1.1
233.11786	1.1
233.15376	11.1
233.17508	0.7
233.19040	0.9
251.04889	0.8
251.07179	0.8
251.12639	1.4
251.16464	20.8
251.20285	1.1
259.30145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03947	1.9
55.01867	4.8
55.05508	2.5
55.13659	1.2
59.67690	1.2
65.03915	1.4
67.05516	6.0
69.03416	3.9
69.07072	3.1
69.10489	1.3
70.40084	3.7
71.04994	4.3
79.05498	21.1
81.07059	49.4
83.04972	2.7
91.05481	13.4
93.07049	27.1
93.57931	1.0
95.04980	13.1
95.08616	6.7
97.02914	2.8
97.06533	6.8
98.98473	100.0
99.04438	3.9
103.05459	2.5
105.07035	16.4
107.04969	7.2
107.08600	9.8
108.07443	1.4
108.08112	7.6
109.06519	37.4
109.10133	1.3
111.08092	1.9
113.06017	1.2
115.05482	2.3
117.07047	7.4
119.04945	14.0
119.08580	6.2
121.06509	14.6
121.10155	3.2
123.04439	4.1
125.05981	3.6
127.07540	4.6
128.06238	1.7
129.07008	3.7
129.93997	1.2
130.07788	2.7
131.08571	7.7
133.06496	5.4
133.10095	2.2
135.04358	2.5
135.08092	6.2
135.11697	6.4
137.05983	44.6
139.07587	6.3
141.06949	2.4
143.08585	3.8
144.05678	1.5
144.08096	24.4
144.09244	2.6
145.06503	5.5
145.10126	24.2
147.11696	3.4
149.05943	1.3
151.07680	1.3
154.07790	2.9
155.08557	3.0
157.08621	2.0
157.10030	1.4
158.07295	3.3
159.08081	3.3
159.11713	15.8
161.05980	1.9
163.07515	1.5
163.11168	14.0
169.10094	6.3
171.11697	3.9
172.08774	2.0
173.06052	2.0
173.09641	10.5
174.99240	2.4
179.08604	5.5
180.08038	1.7
181.06418	1.7
181.12259	11.4
182.07196	2.9
187.11183	25.8
191.10663	8.4
194.09584	1.6
197.09637	10.1
205.08574	3.6
205.12283	6.2
215.10684	36.4
221.08452	1.2
221.10715	5.4
222.09467	1.5
227.12753	2.8
233.11736	20.8
236.13014	1.9
250.08466	1.6
251.08879	2.2
251.10791	1.5
251.12808	12.6
251.15451	29.1
251.17987	3.3
251.20135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1281
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
50.79248	0.5
53.03953	1.2
55.01862	0.9
55.05521	1.1
57.07081	0.7
59.05013	0.9
65.03942	1.1
66.20963	0.5
67.05515	6.0
69.03440	2.3
69.07075	1.9
71.05005	4.1
71.49962	0.8
72.17677	0.5
79.05502	7.2
81.03401	0.7
81.07066	10.8
83.04990	2.4
85.06547	1.1
91.05476	6.0
93.07061	6.6
94.98247	0.6
95.04987	3.9
95.08597	3.2
97.02868	0.9
97.06535	2.8
98.98476	100.0
99.04440	3.2
103.05479	1.1
105.07037	12.4
107.04945	4.1
107.08613	4.3
108.08109	3.3
109.06533	6.7
109.10174	1.2
111.08106	1.0
113.05990	0.8
115.05481	2.0
115.50338	0.5
116.99567	1.3
117.07040	7.1
119.04955	1.9
119.08605	3.8
121.02879	0.6
121.06521	4.0
121.10167	1.6
123.08051	1.2
125.06020	1.2
127.07572	1.4
128.06226	1.2
129.07021	2.1
130.06587	1.0
130.07796	2.5
131.04956	0.9
131.08565	6.7
133.06479	2.8
133.10141	2.2
135.04420	0.7
135.08051	1.7
135.11723	1.5
137.06001	7.7
137.09602	0.7
139.07538	1.1
143.07439	0.6
143.08577	2.3
144.08105	16.2
144.09262	1.5
145.06516	2.3
145.10141	20.0
146.42349	0.6
147.07983	0.8
147.11716	1.5
149.05980	0.8
149.09691	1.2
151.07605	1.5
153.05550	0.6
154.06587	0.8
154.07841	1.2
155.06026	0.8
155.07222	0.6
155.08551	1.0
158.07291	1.9
159.08080	2.1
159.11691	8.5
159.12863	0.8
161.05994	1.2
163.07565	1.1
163.11211	11.6
165.07159	0.7
167.07083	5.6
167.08511	0.9
169.10162	2.5
171.09230	2.0
171.11717	0.6
173.06088	0.8
173.09633	10.3
174.99243	2.4
175.07509	0.8
177.05577	0.9
177.12749	1.3
178.06279	0.7
180.08121	0.9
181.05035	0.9
181.08636	0.8
181.12300	1.0
187.11198	21.2
189.12889	1.0
191.07088	1.1
191.09123	1.1
191.10704	8.2
193.08635	1.1
197.09633	1.8
201.09201	1.4
205.08649	1.3
205.12279	9.7
215.10713	13.3
221.08626	1.1
221.10805	4.7
223.09810	0.7
231.98543	0.5
233.08200	1.2
233.11731	9.9
236.13057	0.9
249.13742	0.6
251.07076	1.3
251.10835	0.9
251.12843	6.0
251.15549	21.9
252.12337	0.7
257.40189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03955	1.0
55.01873	0.9
55.05511	0.9
57.07069	1.3
59.05005	9.5
67.05509	4.1
67.53916	0.5
69.03425	1.2
69.07080	3.4
71.05000	11.4
71.50198	0.7
77.03941	0.9
79.05496	8.0
81.03419	1.4
81.07056	4.7
83.04976	2.4
85.77198	0.6
91.05490	5.5
92.16293	0.6
93.07043	4.0
95.04980	3.8
95.08603	3.4
97.02894	0.7
97.06541	2.2
97.10168	0.6
98.98473	100.0
103.05467	1.6
105.07040	7.4
107.04961	13.5
107.08597	2.3
108.08140	1.0
109.06522	2.0
109.10168	3.0
113.05977	0.7
115.05453	5.7
116.06289	0.7
116.99530	1.8
117.07014	4.6
119.08587	3.5
121.06509	2.2
121.10172	2.1
122.03721	0.8
123.04447	1.3
123.08089	1.5
123.11746	0.9
124.05239	2.3
125.06011	7.5
127.58927	0.6
128.06255	2.3
129.06984	3.1
130.07780	4.4
131.04961	1.6
131.08588	2.6
132.05710	1.7
133.06503	3.9
133.10092	1.1
135.08084	1.8
135.11694	0.9
137.06023	0.7
137.09621	1.0
140.04698	0.7
141.06984	1.6
142.07817	0.7
143.04935	1.6
143.08571	8.0
144.05693	1.2
144.08070	3.9
145.06480	5.4
145.10135	15.9
146.03658	3.4
146.07263	1.2
147.08032	4.6
147.11740	1.8
149.09659	1.1
151.07578	1.8
152.04732	1.2
153.06984	1.1
155.06044	0.8
155.08575	2.5
157.06561	1.4
157.10181	0.7
158.07286	14.2
158.08528	1.2
159.04474	0.8
159.08032	2.4
159.11705	1.0
160.05182	3.0
161.05991	6.0
163.07570	0.8
163.11179	9.7
167.07050	31.6
171.08034	0.9
173.09639	23.7
174.99265	3.1
175.07587	9.1
177.05476	1.9
177.09128	2.4
178.06276	7.6
181.04968	5.2
181.08583	3.3
181.12126	2.8
183.09174	1.7
186.06789	2.3
189.05487	0.8
189.09134	2.3
190.09914	1.0
191.07103	0.9
191.10695	1.4
192.07828	13.2
192.09438	1.1
193.08623	5.8
193.12411	0.6
195.06528	2.7
201.09119	33.9
203.07106	1.3
205.08684	1.0
206.09274	0.8
207.06602	1.1
207.10193	5.5
208.07414	0.7
218.09438	2.4
219.10229	3.9
221.08060	0.7
222.09045	0.9
233.08231	1.0
233.11746	14.1
233.15430	1.8
236.10397	1.1
251.12839	35.9
251.16266	10.9
251.20280	1.6
252.12950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.10544	0.3
53.03944	0.4
55.01886	0.4
55.05503	0.8
59.04997	0.3
67.05518	2.2
69.03423	0.5
69.07056	0.8
71.04996	0.8
71.50227	0.3
77.19013	0.3
79.05499	1.9
81.03407	1.0
81.07053	2.9
83.08618	0.3
91.05493	1.7
93.07049	1.5
95.04962	1.2
95.08604	2.0
97.06573	0.3
98.98470	100.0
103.05474	0.6
105.07030	2.2
106.56852	0.3
107.04958	1.2
107.08600	0.8
109.06512	0.8
109.10119	0.6
115.05471	2.2
116.99519	1.6
117.07024	3.7
119.08601	0.9
121.06515	0.7
121.10159	1.0
123.08096	0.5
123.11689	0.5
125.06031	0.5
128.06221	2.5
129.07018	3.4
130.07785	1.9
131.04938	0.9
131.08536	1.9
132.05617	0.3
133.06509	0.5
133.10118	0.7
135.08049	0.5
135.11655	0.4
140.01042	0.6
141.07021	3.4
142.07758	0.6
143.05025	0.4
143.08553	4.9
144.05721	2.9
144.08115	0.4
145.06500	7.1
145.10138	5.1
146.07288	0.3
147.04378	0.4
147.08049	0.5
149.13211	0.4
153.05511	0.4
153.06943	0.5
155.06056	1.1
155.07471	0.3
155.08554	2.0
157.06465	1.4
158.07283	10.5
159.04491	0.6
159.08000	1.0
159.11742	0.5
161.05954	0.5
161.09644	0.7
163.11272	0.6
167.07033	2.8
169.06450	1.3
170.07346	0.3
171.08078	1.1
172.05255	1.0
172.08821	0.4
173.06044	0.6
173.08109	0.7
173.09625	13.8
174.06757	0.4
174.99245	3.7
175.07619	0.9
177.05479	1.0
178.06259	0.4
181.08623	0.3
183.07932	0.5
183.09355	0.6
186.06827	1.4
187.14911	0.4
189.09117	2.2
191.07040	1.1
192.07776	0.7
193.08646	0.4
201.09113	16.9
202.09665	0.3
203.07106	1.1
205.08708	0.6
205.12399	0.3
205.19606	0.3
206.09413	1.0
207.10207	0.9
218.09410	0.9
219.10164	0.6
221.11935	1.5
233.11728	19.4
233.15504	0.7
234.12173	0.4
251.05284	0.4
251.12785	3.0
251.15811	2.3
251.20134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28191	0.2
66.27501	0.2
66.82320	0.2
70.79146	0.6
71.01332	0.3
74.23458	0.2
74.81654	0.2
77.02697	0.2
79.52341	0.2
91.05479	0.8
98.98452	0.6
115.05458	0.2
117.05791	0.3
118.06570	0.6
120.07253	0.4
120.08098	5.1
130.06549	0.4
131.07304	0.9
136.07524	0.3
143.07310	0.5
144.08092	3.4
146.09647	5.8
152.05640	0.3
190.08632	100.0
191.08961	0.9
218.08069	0.6
250.10762	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	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.0
55.01846	3.3
55.94332	1.4
67.05485	6.5
69.03417	2.1
69.07041	2.1
71.04962	4.4
71.49629	2.2
77.01604	1.4
79.05497	13.1
81.03378	3.3
81.07066	13.6
85.06519	1.7
91.05480	9.5
93.06599	1.5
93.07042	18.2
95.04974	9.4
95.08578	4.7
97.06485	4.6
98.98470	100.0
99.04428	3.7
103.05451	3.8
105.07040	21.6
107.04915	3.7
107.08566	4.1
108.08131	22.8
109.02828	1.9
109.06540	11.1
111.08076	3.2
115.05408	4.0
116.06191	1.2
116.99509	1.6
117.05749	1.6
117.07024	11.2
118.97702	1.3
119.04935	3.4
119.08549	5.5
121.06503	14.7
121.10130	3.1
122.72220	1.5
123.04399	3.4
123.08076	1.6
125.05928	2.3
127.07582	2.1
129.06956	3.8
130.06483	2.1
130.07718	3.2
131.04875	1.7
131.08568	12.2
133.06465	4.8
133.10130	2.3
135.04395	1.9
135.08040	1.8
135.11676	1.4
137.05928	5.7
139.07541	10.8
141.06993	2.2
143.07237	5.4
143.08470	2.9
143.71661	1.3
144.08098	88.3
144.09225	3.9
145.06491	7.1
145.10129	21.0
147.11642	2.2
151.07579	3.3
154.06502	2.7
154.07736	3.3
155.08498	1.6
156.07994	2.1
157.08601	4.5
158.07326	2.8
159.08015	3.2
159.11710	14.8
161.05949	3.3
163.11107	1.8
167.07260	7.2
168.08076	3.0
169.10052	5.0
171.09195	8.5
173.09671	10.2
174.99254	3.3
179.08481	4.9
180.07994	5.9
181.08821	2.1
182.07176	1.9
182.09688	13.2
187.11174	25.6
189.05351	2.0
191.07086	3.3
191.10611	5.3
193.08620	2.8
194.09653	3.6
197.09587	7.8
205.08745	3.2
205.12254	7.1
206.09644	4.0
207.10184	1.6
215.10670	27.8
221.10718	6.3
222.12866	2.1
233.11684	12.0
233.15358	2.1
236.13005	1.8
251.06914	3.8
251.12646	11.5
251.15366	53.7
252.10138	10.1
252.15686	1.8
269.02676	1.4
271.88608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03928	1.3
54.41231	0.8
55.01903	0.9
55.05513	14.1
56.42501	0.8
57.07061	2.8
67.05497	5.3
69.07067	8.1
78.48927	0.8
79.05499	7.3
81.03433	1.1
81.07056	9.3
83.08595	4.2
91.05491	6.2
93.07052	12.5
95.08611	18.5
97.06519	1.9
97.10160	4.1
105.07031	15.2
107.08601	19.1
109.06535	1.0
109.10166	11.8
111.08032	0.9
112.43462	0.8
117.61687	0.9
118.93889	0.9
119.08590	26.8
119.09464	1.4
121.06510	1.8
121.10136	12.4
123.11705	4.1
125.05984	1.4
125.09641	2.4
129.07024	1.0
131.08464	2.0
133.09120	1.8
133.10133	30.9
135.11710	6.4
137.05968	2.2
139.07498	2.2
143.08485	0.9
145.10123	2.9
147.10536	1.5
147.11694	24.2
149.09605	2.3
149.13254	3.7
151.07497	1.1
151.11153	1.3
153.07947	1.0
153.09087	5.6
157.10117	1.2
159.11702	2.7
161.09631	1.8
161.13263	10.0
163.14806	2.4
165.09184	1.1
167.10686	5.7
175.11201	1.7
175.14781	4.3
179.10658	3.3
181.12245	1.1
189.09207	1.1
193.12178	2.5
203.17964	100.0
204.18272	1.8
205.19551	4.5
221.19096	5.1
226.04477	1.3
229.33878	1.4
231.17455	4.6
249.13957	7.1
249.18503	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	250.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88071	0.2
62.39233	0.2
63.13644	0.2
69.58248	0.5
69.58666	0.9
85.02898	0.4
91.05477	1.0
97.88580	0.2
98.98464	0.9
99.86690	0.2
117.05758	0.3
117.07043	0.2
118.06533	0.5
120.08119	6.8
130.06520	0.4
131.07333	1.3
143.07249	0.4
144.07033	0.2
144.08107	3.6
146.09657	6.1
184.68883	0.2
186.02193	0.2
190.08650	100.0
191.08972	1.2
218.08105	0.7
250.10773	12.9
258.27200	0.2
273.84787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03941	0.9
55.01857	0.7
55.05511	12.7
57.03435	0.8
57.07080	3.6
65.53883	0.7
67.05505	7.5
69.07072	7.8
70.99403	1.7
71.04977	1.0
77.03957	0.9
79.05496	6.6
81.03413	0.9
81.07055	10.7
83.04975	0.7
83.08630	5.7
91.05481	7.3
93.07043	12.5
95.04958	1.3
95.08611	23.3
97.06479	0.7
97.09641	0.6
97.10172	4.7
105.07030	17.3
107.04947	1.5
107.08594	21.2
109.06526	0.7
109.10159	15.4
109.56435	0.7
111.08071	1.1
117.06985	1.1
119.04877	0.9
119.08582	28.1
121.06463	1.0
121.10151	15.7
123.08089	0.9
123.11695	3.9
125.06009	1.1
125.09620	1.3
129.06973	1.4
131.08548	2.5
133.10127	28.6
134.10468	1.4
135.08066	1.0
135.11679	7.9
137.05940	1.6
137.09590	0.7
137.13251	0.9
139.07530	2.0
143.08586	0.9
145.10083	1.8
147.08052	1.4
147.11691	25.1
149.09622	1.5
149.13268	6.3
151.07574	1.6
151.11215	1.7
153.09125	7.6
157.10176	1.3
159.08084	0.9
159.11658	2.3
160.12527	0.8
161.09621	2.0
161.13263	11.2
163.14807	2.2
165.09129	2.0
167.10689	7.1
171.11678	1.2
173.13223	1.4
175.11206	1.7
175.14828	3.5
177.16309	0.7
179.10649	3.1
181.12178	1.6
187.07564	0.9
189.09062	0.8
189.12819	0.7
193.12225	3.7
203.17958	100.0
204.18346	2.5
205.19519	9.7
207.13794	1.3
213.16371	1.9
220.09660	1.2
221.19032	5.0
231.17397	6.3
234.11586	0.9
247.12204	0.8
249.11186	2.5
249.14317	3.1
249.18507	20.9
249.22246	1.0
250.14369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.05272	1.0
55.05513	12.9
56.97148	0.6
57.07069	2.5
67.05502	5.0
69.07069	7.0
69.80397	3.0
79.05505	4.9
81.03410	0.7
81.07056	6.7
83.05006	0.9
83.08626	3.5
91.05475	5.1
91.52173	0.6
92.91524	0.7
93.07049	8.5
95.04983	2.0
95.08611	15.5
97.10177	3.2
105.07030	14.0
107.04950	1.2
107.08603	13.5
109.06517	1.0
109.10176	10.8
111.08070	1.1
119.08592	23.3
121.06488	2.0
121.10135	10.0
123.11702	2.2
124.87293	0.7
125.05993	1.6
125.09618	1.1
129.07008	0.8
131.08537	1.9
133.10130	26.4
134.10483	1.0
135.08041	0.8
135.11710	3.8
137.05983	2.0
137.13264	0.9
139.07539	1.6
145.10121	1.6
147.08038	0.9
147.11697	20.8
149.09625	1.0
149.13232	2.9
151.07487	0.9
153.09094	6.5
157.10152	1.0
159.11685	2.5
160.12529	0.6
161.09663	1.3
161.13249	7.9
163.14822	2.0
165.09128	1.5
165.12740	1.0
167.10666	4.3
170.10907	0.8
175.11108	1.0
175.14816	3.9
179.10728	1.9
187.07581	0.8
193.12221	2.2
203.17966	100.0
204.18288	2.2
205.19518	2.9
207.13809	0.8
213.16380	2.1
221.19087	4.5
231.17435	4.5
249.11200	2.9
249.14629	1.5
249.16656	0.7
249.18547	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	249.1486
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
53.03943	1.4
55.01875	9.9
55.05515	5.1
57.03452	0.6
57.07077	0.6
59.04982	0.5
65.03944	0.6
66.04687	0.4
67.05504	5.3
69.03432	1.0
69.07057	1.9
69.21462	4.5
71.00218	0.4
71.04979	0.6
73.06544	0.6
79.05497	18.1
81.07059	36.8
83.04987	3.1
83.08615	1.5
91.05482	7.1
93.07053	4.7
95.04968	2.0
95.08607	5.8
97.06537	1.0
97.10146	0.8
105.07046	6.0
107.04947	1.7
107.08601	17.3
109.06522	14.5
109.10146	2.5
111.03716	0.8
111.04445	9.7
111.08096	1.1
117.07025	1.6
119.08575	7.0
121.06508	2.1
121.10152	2.2
123.08035	1.2
125.06014	6.2
125.09658	0.6
127.03946	0.7
128.06294	0.8
129.07004	1.8
131.08556	2.2
133.06508	1.0
133.10146	4.6
135.08057	5.0
135.11679	1.0
137.05983	100.0
138.06363	0.9
139.07535	0.7
141.06905	0.4
142.07784	0.5
143.08531	2.7
145.10114	1.5
147.08047	2.0
147.11691	2.6
149.09625	1.3
151.07562	3.4
153.05475	0.6
153.09125	0.9
156.09303	0.6
157.10149	1.7
159.08122	0.7
159.11710	1.0
161.09665	2.9
161.13234	1.2
163.07516	1.0
165.09120	2.1
171.08028	1.1
175.11229	1.0
175.14816	3.6
185.09624	0.6
185.13254	5.4
187.11122	0.6
189.09158	1.9
189.12718	0.6
195.11772	0.9
198.10468	1.3
203.10526	0.5
203.14343	5.9
203.18039	4.0
213.12778	4.5
221.15392	1.7
221.18971	0.7
231.10168	0.7
231.13850	3.2
231.17467	0.5
234.11591	0.7
246.22041	0.5
247.12270	1.1
249.07668	0.7
249.11174	1.6
249.14720	7.5
249.18651	1.5
267.16022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
53.03939	1.1
53.98681	0.6
55.01872	12.0
55.05513	4.5
57.03413	0.6
67.05510	5.5
69.03448	1.3
69.07080	1.3
71.00337	1.3
71.04982	0.7
79.05496	18.6
81.03476	0.7
81.07061	39.6
83.04993	3.1
83.08611	1.6
91.05484	6.5
93.07057	4.0
95.04959	1.2
95.08626	4.7
97.10192	1.1
105.04501	0.7
105.07030	5.5
107.04977	1.5
107.08601	18.2
109.06523	16.5
109.10166	2.3
111.04451	9.1
111.08112	1.1
115.05468	0.9
117.07015	2.1
119.08582	6.5
121.06514	2.1
121.10160	1.8
123.04482	0.5
123.08082	1.6
123.11722	0.8
125.06015	3.9
127.03922	0.9
128.06229	1.4
129.06998	2.1
131.08578	2.1
133.10149	2.4
135.08061	5.1
135.11754	1.0
137.05986	100.0
138.06390	0.7
141.06941	0.6
143.08582	2.8
145.06557	0.5
145.10149	0.7
147.08064	2.4
147.11668	1.8
149.09660	1.7
151.07570	4.8
155.08562	0.7
157.10127	2.1
159.08073	1.0
159.11716	2.0
161.05962	0.5
161.09624	3.5
161.13261	1.3
163.07576	1.5
163.11272	0.6
164.70248	0.6
165.09169	2.2
170.10965	0.7
171.08145	0.6
175.07561	0.8
175.11237	1.2
175.14819	2.6
185.13277	6.3
187.11267	0.7
189.09125	1.4
195.11711	1.1
198.10420	1.7
203.14336	5.6
213.12813	3.9
221.11746	0.8
221.15382	1.3
231.13776	2.2
234.11557	1.2
235.96574	0.6
247.12482	1.1
249.11238	1.1
249.14629	7.0
249.18549	1.3
249.25275	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	[4]-Shogaol
Peak:m/z	Relative Intensity
52.44755	0.4
53.03941	1.3
55.01873	10.2
55.05514	4.7
57.03434	0.5
57.07074	0.4
60.01123	0.4
67.05170	0.5
67.05505	4.5
68.88739	0.4
69.03431	0.9
69.07066	1.4
70.39519	0.4
71.04975	0.6
71.22599	0.9
79.05499	18.0
81.07062	34.7
82.07400	0.4
83.04977	1.7
83.08617	1.4
85.06577	0.4
91.05482	6.2
93.07056	3.7
95.04984	1.8
95.08607	4.7
97.06524	0.6
97.10151	0.7
99.76184	0.4
105.07033	4.6
107.04966	2.8
107.08601	14.8
108.23411	0.4
109.06515	13.5
109.10157	2.2
111.04446	8.7
111.08073	0.7
115.05486	0.5
117.07015	1.8
119.08583	5.1
121.06530	2.5
121.10149	1.6
123.08076	1.6
125.06010	5.0
125.09636	1.1
127.03899	1.1
128.06258	0.7
129.06978	1.7
131.08551	1.2
133.06522	0.8
133.10153	1.8
135.08060	4.0
135.11685	0.7
137.05986	100.0
138.06339	0.8
139.07578	0.7
142.07759	0.8
143.08534	2.9
145.10161	1.3
147.08023	1.5
147.11719	1.6
149.09619	1.4
151.07573	4.0
153.05525	0.4
155.08595	0.9
157.10124	1.9
159.08020	0.4
159.11717	0.9
161.09628	2.7
161.13300	0.6
163.07596	1.3
165.09134	0.9
170.10930	0.6
171.11745	0.7
172.89561	0.4
175.11266	1.0
175.14819	2.8
180.09283	0.4
185.09647	0.9
185.13257	5.8
189.09161	1.0
193.15901	0.6
195.11713	1.3
198.10439	1.4
203.14366	5.2
213.12785	4.5
221.15437	1.2
231.13771	2.1
249.11035	0.5
249.14903	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.44784	0.6
57.03433	0.9
67.05518	0.9
69.03427	1.7
69.60768	3.8
73.67150	0.6
79.05486	1.0
91.05487	7.9
97.02898	1.4
98.97608	0.9
102.15416	0.6
103.05461	1.4
105.07030	3.5
107.04943	1.7
110.48418	0.7
115.05445	5.7
116.06259	4.3
117.07021	4.3
119.47330	0.5
121.06480	1.1
124.97861	0.7
128.06235	10.7
129.07022	22.2
130.07805	0.9
131.04947	2.5
131.08568	19.4
132.05673	1.0
133.06503	3.9
133.10117	1.4
141.06998	11.0
142.07790	3.7
143.04915	1.4
143.08572	4.3
144.05714	11.5
144.08099	10.6
145.06483	6.2
146.03676	0.7
146.07266	3.3
147.04422	1.5
147.08092	1.0
149.05978	0.7
152.06187	1.6
153.06990	1.9
155.06061	2.7
156.05719	1.8
157.06490	11.5
158.07256	2.3
159.04453	1.1
159.08063	27.7
160.05217	2.9
161.05998	5.9
161.09631	8.2
167.07144	1.2
169.06508	1.4
169.07645	4.1
170.07269	8.8
171.04408	1.9
171.08043	7.9
172.05215	3.8
173.05969	4.0
174.05464	0.6
174.06714	3.5
175.07532	2.8
178.06241	0.8
185.06035	1.6
186.06825	0.9
187.07545	20.6
188.08377	1.2
189.05511	4.0
189.09117	13.6
190.06235	1.3
191.07047	1.3
192.07819	0.8
193.08635	1.4
198.06760	2.3
199.07524	2.8
201.05502	1.7
203.07100	5.3
203.10727	0.9
204.07845	14.8
205.08614	2.4
206.09473	1.4
213.09209	0.7
216.07860	4.1
217.08569	1.7
218.09412	1.3
219.10181	1.7
221.08206	1.1
221.11710	2.5
222.09146	0.6
231.10161	7.0
233.00040	0.7
234.08971	0.9
234.68367	0.7
236.12524	0.6
249.11246	100.0
250.11719	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1389
Annotation	brasilidine A
Peak:m/z	Relative Intensity
51.96789	0.3
53.03934	0.8
55.01874	0.4
55.05486	0.3
56.78482	0.3
67.05491	0.8
69.03423	1.1
69.07069	0.5
69.12280	1.4
69.12714	2.2
79.05482	1.1
79.21423	0.3
81.03405	1.2
81.07047	0.8
85.02896	0.6
91.05483	2.7
93.07036	1.5
95.04962	0.9
95.08591	1.3
97.02882	0.6
97.06513	0.5
98.21547	0.7
98.97572	0.6
99.04443	0.4
103.05492	0.5
105.03404	0.8
105.07014	1.6
107.04945	0.5
107.08597	1.1
109.02850	0.5
115.05468	1.9
116.06219	1.0
117.07003	1.6
119.08580	0.8
121.06501	0.7
121.10111	0.3
123.04417	0.4
127.03915	0.5
128.06224	2.9
129.07021	5.2
130.06520	0.8
130.07607	0.3
131.04918	0.8
131.08582	4.0
133.02925	0.4
133.06494	1.1
133.10118	0.9
135.04431	0.7
135.11653	0.4
137.06036	0.4
141.06999	2.3
142.07796	1.3
143.04924	0.5
143.07347	0.5
143.08563	0.9
144.05725	2.1
144.08066	1.5
145.06467	1.5
145.10144	0.6
146.07254	1.4
147.04355	0.5
147.08041	0.6
151.03894	0.6
156.05696	0.5
157.06476	2.8
158.07182	0.6
159.04433	0.4
159.08051	6.7
159.11671	0.6
160.05302	0.4
161.05962	1.8
161.09625	2.3
167.07146	0.9
168.08020	0.6
169.07629	1.1
170.07248	1.8
171.04428	0.4
171.08051	1.5
173.06003	1.3
174.06795	0.7
175.07532	1.2
177.05441	0.5
178.06282	0.4
180.08109	0.4
185.05981	0.4
186.45337	0.3
187.07550	5.1
189.05486	1.3
189.07503	0.4
189.09122	3.1
190.06337	0.6
191.07091	0.8
193.08711	0.6
195.09222	1.6
198.06726	0.6
199.07620	1.0
201.05519	0.4
203.06984	2.3
203.10680	0.5
204.07858	3.6
205.08640	1.2
206.09633	0.8
207.10506	0.5
213.12752	0.4
216.07809	1.0
217.08835	1.6
218.09679	0.5
219.09052	3.2
220.09935	1.3
221.06047	0.6
221.07932	0.4
221.11839	0.9
231.10190	1.6
231.13695	0.5
231.17299	0.4
232.09779	2.3
233.10710	4.3
234.06607	0.6
234.11519	15.3
245.10965	0.5
247.12317	18.6
248.13017	2.3
249.11223	21.8
249.13876	100.0
250.11893	0.4
250.14230	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.74230	0.7
52.10218	1.1
55.01863	0.9
57.03424	1.4
64.97442	0.7
67.05521	1.0
67.58340	0.8
69.03427	2.4
70.38628	2.4
70.38954	0.7
71.83779	0.7
77.51261	0.8
79.05509	1.3
85.02868	1.2
91.05487	8.2
93.07030	1.0
95.04935	1.5
95.67966	1.0
97.02876	1.5
101.05206	0.9
103.05457	2.2
105.07018	4.4
107.04938	2.5
115.05463	5.4
116.06252	4.6
117.07003	3.0
121.06548	1.0
121.78220	0.8
123.04375	1.1
127.05383	0.9
128.06241	10.9
129.07016	21.2
130.07854	1.4
131.04971	4.1
131.08578	19.1
132.05742	1.7
133.06479	3.1
133.10156	1.2
141.06979	11.2
142.07803	5.3
143.04926	1.4
143.08618	4.3
144.05699	11.7
145.06516	6.8
146.07275	3.2
147.04405	2.0
147.08017	1.6
151.03902	1.5
152.06178	1.4
153.06982	2.0
155.06055	1.5
156.05714	1.7
157.06516	10.4
158.07281	2.3
159.08067	26.3
160.05147	1.4
161.06020	4.5
161.09651	7.8
169.06415	2.0
169.07648	3.3
170.07289	9.0
171.04440	1.3
171.08051	6.0
172.05223	3.1
173.06029	4.6
174.06697	3.2
175.07536	3.2
179.27701	0.9
184.05281	0.9
185.05960	1.5
186.06706	1.2
187.07561	18.8
188.08409	1.0
189.05472	4.0
189.09125	9.7
189.12714	1.4
190.06245	1.7
191.06996	2.2
198.06754	2.2
199.07547	3.2
201.05414	1.1
203.07050	6.7
204.07805	12.3
205.08583	3.2
206.09380	1.9
216.07875	3.2
219.10141	1.4
221.08012	1.9
221.11755	4.1
231.10173	6.4
249.11240	100.0
250.11583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48251	21.3
89.43034	10.7
100.94599	11.0
101.00883	20.4
119.01906	17.0
120.08116	10.8
122.04614	11.9
123.11444	13.5
134.62129	12.0
148.32872	10.6
161.02904	15.3
175.56186	11.3
177.00523	11.7
188.74165	10.8
249.03813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
69.03429	1.2
69.78366	3.4
79.05501	0.8
81.03437	0.9
81.07066	0.8
86.26210	0.6
88.34258	0.5
91.05485	9.0
93.07042	0.8
97.02888	0.7
98.97593	1.3
103.05487	1.8
105.03430	0.5
105.07033	4.4
107.04942	2.8
107.08596	0.9
115.05450	5.9
115.23315	0.5
116.06247	3.7
116.68707	0.6
117.07028	3.3
118.04222	0.5
118.07803	0.6
119.04919	1.0
119.08623	1.3
121.06521	0.6
123.71653	0.6
128.06239	11.4
129.07014	22.9
130.07782	0.9
131.04927	2.3
131.08578	19.0
132.05711	1.4
133.06508	3.4
133.10147	2.2
141.07002	9.4
142.07790	3.5
143.04938	1.2
143.08527	3.3
144.05721	9.9
145.06496	6.3
146.03639	0.7
146.07285	3.0
147.04428	1.4
152.06261	1.3
153.06984	1.9
155.04933	0.7
155.06058	2.1
156.05711	2.0
157.06503	11.0
158.07314	3.2
158.99748	0.6
159.04459	0.9
159.08070	28.4
160.05205	1.2
160.08832	0.9
161.05994	5.4
161.09628	8.0
165.05508	1.1
165.06909	0.8
167.07188	1.4
169.06447	1.3
169.07652	3.2
170.07272	8.1
171.04445	2.5
171.08043	7.3
172.05214	4.3
173.05998	4.3
174.06818	2.3
175.07549	3.3
178.06274	1.4
181.07689	1.0
184.05255	0.9
185.05948	1.3
186.06808	0.9
187.07556	18.0
188.08299	1.1
189.05466	3.1
189.09111	9.9
190.06219	0.9
191.07109	1.8
192.07777	0.9
193.08679	0.9
198.06752	1.2
199.07564	3.0
201.05478	1.7
203.07030	7.1
204.07840	13.9
205.08627	1.8
206.09457	1.2
216.07889	4.4
217.08690	1.3
218.09430	1.1
219.09171	1.7
220.10136	0.6
221.08173	0.8
221.11790	3.3
231.10181	7.6
232.09958	0.7
233.10696	1.7
234.09070	1.1
234.11499	8.9
247.12312	6.9
248.13007	0.9
249.11249	100.0
249.13905	48.9
250.11575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64059	0.9
56.92471	0.9
56.96551	1.2
58.99866	4.7
64.90951	0.9
67.05519	4.9
68.33774	0.9
68.98308	7.7
69.03404	1.5
70.15216	3.4
70.18738	0.9
70.99867	1.0
77.00907	3.3
79.62141	1.1
81.03399	1.8
85.01404	8.8
85.02886	2.1
86.99343	5.4
89.03904	3.1
89.21432	1.0
91.05481	2.2
93.03423	1.0
94.06565	4.6
95.01957	2.2
95.04977	11.4
97.01399	1.2
97.02859	1.3
98.97568	2.8
100.02470	1.6
101.00879	4.4
103.00610	1.5
103.02460	6.3
105.00352	3.2
106.06539	1.3
107.04955	13.2
111.02958	9.1
113.00864	3.9
115.02419	2.4
117.00327	1.6
117.03342	2.9
119.01926	5.0
119.04920	3.9
121.01601	1.0
121.06516	5.1
122.06026	4.7
123.02915	2.6
127.02431	2.3
129.03986	18.6
131.01920	4.9
135.02927	4.3
135.04402	3.1
137.04466	17.2
139.02438	2.3
141.03969	5.9
145.03532	1.9
147.02989	1.4
147.05032	5.7
150.05519	17.2
152.05585	6.2
153.03973	9.3
155.05547	73.8
156.05759	1.3
157.03468	3.2
158.03511	1.4
159.05016	2.9
161.04494	3.5
162.03087	1.2
163.02592	1.9
163.03902	15.7
163.06042	3.3
165.03995	15.1
168.02650	2.5
169.03423	3.4
169.07063	1.1
170.06604	4.0
171.05029	3.8
173.06619	20.4
178.03484	3.1
178.07167	5.3
179.05519	8.0
181.03737	5.2
181.07117	100.0
182.07262	2.3
183.05046	20.1
184.05244	1.4
187.04601	1.0
195.37268	1.0
196.04582	1.9
196.08229	2.1
197.06615	3.9
199.08180	52.2
200.08539	1.3
201.06073	1.4
204.05093	2.1
206.06651	5.3
207.05002	7.8
222.06119	1.6
222.09819	2.7
225.04002	2.1
225.06102	41.4
227.03952	1.6
230.06563	1.8
243.07179	30.6
248.03430	5.3
248.05482	1.3
248.07672	35.8
266.08752	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.206
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03937	2.7
53.94857	0.9
55.01871	3.2
55.05519	13.3
57.03440	3.8
57.07080	4.2
65.03951	1.4
67.05514	45.5
69.03429	2.6
69.07085	11.1
69.72614	2.3
69.73009	2.0
71.04996	3.7
72.24368	1.0
78.20641	0.9
79.05506	40.6
81.03424	3.2
81.07067	100.0
83.04971	3.3
83.08630	3.9
85.06555	2.8
91.05492	15.4
93.07059	28.9
95.04982	8.7
95.08623	22.1
97.06546	3.6
97.10207	1.8
98.21570	1.1
99.08095	2.3
105.06395	1.5
105.07051	16.6
107.04949	3.2
107.08614	21.5
107.59402	0.9
109.02882	1.2
109.06537	29.8
109.10167	9.5
111.08105	2.6
115.05492	0.9
117.07032	5.8
119.08594	15.5
121.06542	4.3
121.10165	21.2
123.08071	5.6
123.11720	10.1
123.90583	0.8
125.09692	1.0
131.08583	12.3
133.10155	14.1
135.08047	5.2
135.11711	8.3
137.09615	5.2
137.13261	1.2
143.08553	1.3
145.10138	17.2
147.08046	1.0
147.11703	7.7
149.09677	4.5
149.13260	7.6
151.11241	2.6
159.08136	1.0
159.11734	11.9
161.13275	4.3
163.11205	3.7
163.14842	3.6
165.12804	2.1
173.09659	3.0
173.13264	7.6
175.14841	4.1
177.09117	1.4
177.12794	1.8
177.16454	1.5
179.14330	0.9
185.13268	0.9
187.14812	5.5
189.16399	1.0
191.10643	1.3
191.14310	2.0
201.09120	1.1
201.16420	26.7
203.18001	1.5
205.15923	2.7
216.11464	2.1
217.10056	1.0
219.17447	1.8
219.21114	1.3
229.15906	1.6
229.19537	11.8
239.59525	1.1
247.09731	1.6
247.13107	2.9
247.14267	1.4
247.16994	23.1
247.20631	54.5
262.69305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01869	3.0
55.05515	12.4
57.03447	4.4
57.07073	3.2
60.44255	0.7
65.03937	2.3
67.05508	35.8
69.03423	2.0
69.07072	11.1
69.36936	2.1
69.37357	4.5
71.04988	2.4
79.05497	33.4
81.03422	2.4
81.07058	100.0
83.04988	3.6
83.08619	4.3
85.06524	2.1
91.05480	11.8
93.07049	27.5
95.04980	6.7
95.07990	1.1
95.08608	21.2
97.06516	2.7
97.10188	1.0
99.08076	1.7
103.05502	1.1
105.07038	14.2
107.04969	2.3
107.08592	20.0
109.06523	30.6
109.10155	10.4
111.04430	0.9
111.08099	1.5
116.06248	1.0
117.07026	6.5
119.08575	13.3
120.71917	0.8
121.06504	4.6
121.10145	17.9
121.10941	1.4
123.08089	4.1
123.11724	9.5
129.06966	1.3
131.08571	13.6
133.10130	11.9
135.08067	4.7
135.11691	9.0
137.09666	4.3
137.13210	1.0
139.11320	0.8
143.08607	1.1
145.10126	17.6
146.30905	1.0
147.08119	1.0
147.11678	9.0
149.09648	5.0
149.13272	9.2
151.11200	3.5
159.07985	1.3
159.11705	11.5
161.09575	1.4
161.13280	4.6
163.11194	3.5
163.14819	3.4
165.12823	2.2
173.09637	2.4
173.13268	6.2
174.04271	0.9
175.14853	2.3
177.09142	2.7
177.12744	2.4
177.16385	1.1
187.14812	5.0
189.16422	2.7
191.10707	2.0
191.14311	1.8
201.09084	1.3
201.16399	28.7
201.67520	0.9
203.17963	1.3
205.15933	2.5
205.19586	0.9
216.11487	2.8
219.17493	2.0
219.21138	1.6
221.49593	0.8
223.25085	0.9
229.15985	2.1
229.19540	13.1
247.09892	1.5
247.13069	3.8
247.16977	28.5
247.20618	50.7
247.24600	2.0
248.20946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03943	3.5
55.01881	2.1
55.05511	13.3
57.03438	3.0
57.07078	3.5
60.59908	0.8
64.74462	0.7
65.03928	2.0
67.05506	37.3
69.03422	1.5
69.07071	12.9
70.23233	2.6
71.04993	3.2
79.05496	34.8
81.03430	2.3
81.07057	100.0
82.07378	0.9
83.04983	2.5
83.08620	4.5
85.06551	2.1
91.05486	15.4
93.07047	25.2
95.04961	5.7
95.08603	22.0
95.09180	1.4
97.06544	2.0
97.10143	1.5
99.08099	2.5
105.07030	12.4
107.04946	3.4
107.08599	19.0
109.06518	35.1
109.10164	8.6
111.08110	1.6
117.07011	6.4
119.08585	12.0
121.06545	3.7
121.10149	16.7
123.08060	5.9
123.11709	9.7
125.09656	1.4
131.08586	9.3
133.10130	11.6
135.08063	6.8
135.11694	8.6
137.09613	5.8
137.13242	1.3
144.09389	1.0
145.10127	10.7
147.11691	8.5
149.09613	3.5
149.13257	8.4
150.65248	0.9
151.11192	2.8
157.10135	1.0
159.11700	9.2
161.09624	1.3
161.13229	5.0
163.11186	3.9
163.14816	3.0
165.12791	2.0
171.11668	0.9
173.09644	1.1
173.13272	6.7
175.14839	3.5
177.12729	1.8
177.16406	1.5
179.14301	0.8
185.80421	0.8
187.14850	3.3
189.09135	0.9
189.16379	1.8
191.14319	1.4
201.09229	1.4
201.16351	10.0
203.18027	1.2
205.15929	1.1
216.11435	3.8
217.08557	1.7
219.21121	1.3
229.19539	12.9
247.02386	0.8
247.06042	0.8
247.13007	2.7
247.17067	3.7
247.20584	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03955	1.9
55.05512	11.5
56.84044	1.1
56.96494	1.1
57.07082	20.1
67.05505	8.7
69.07057	5.2
71.49020	2.0
79.05499	12.2
81.07056	12.5
83.04988	4.8
83.08614	4.0
91.05480	16.8
92.63185	1.2
93.07053	21.7
95.04974	2.1
95.08620	21.9
97.06490	1.7
97.10165	3.0
99.04475	1.3
105.07037	31.3
107.04977	1.6
107.08603	28.6
109.06531	3.0
109.10183	7.5
112.85749	1.4
116.06234	1.5
117.07014	9.9
119.08583	44.5
121.06517	4.2
121.10147	12.9
123.08078	1.4
123.11680	2.9
125.09637	2.0
128.06161	1.3
129.07011	3.5
130.07808	2.8
131.08566	29.5
133.10136	52.2
135.08072	3.0
135.11693	3.5
139.07518	2.3
142.50537	1.3
143.08583	4.2
144.09358	2.6
145.06488	2.1
145.10136	42.2
146.10886	1.4
147.11708	7.1
149.09613	4.3
151.07561	2.6
151.11201	1.4
155.08575	2.0
157.10124	3.6
158.07268	3.8
159.08064	5.3
159.11703	37.1
161.09618	2.8
161.13260	7.9
163.07571	6.2
163.11180	17.4
171.08041	2.0
171.11674	2.7
172.08820	2.1
172.12514	1.9
173.09628	26.6
173.13239	15.4
174.06796	1.6
175.14867	2.0
177.09102	32.6
179.10695	2.5
186.14084	2.0
187.07568	1.5
187.11226	8.3
187.14835	3.8
189.09140	4.5
191.10657	7.6
201.09113	25.7
201.16393	100.0
202.09781	2.4
203.17987	7.7
205.12251	2.2
211.14928	2.0
216.11472	71.0
217.08630	9.2
217.12154	3.6
219.17467	3.9
229.08731	1.4
229.12343	2.3
229.15881	13.6
229.19540	2.1
232.10941	11.1
247.09727	4.6
247.13229	33.7
247.16949	31.8
247.20589	5.8
247.24648	4.1
258.23993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03939	5.0
54.77054	1.2
55.05507	2.4
57.07083	2.2
65.03928	5.6
67.05501	4.4
69.03088	1.6
69.03431	19.3
70.53371	1.3
71.48943	2.2
79.05499	9.1
81.07050	6.1
83.04981	21.9
91.05084	1.2
91.05495	14.8
93.03395	4.0
93.07047	12.2
95.04959	4.0
95.08601	1.8
97.02885	6.1
99.43101	1.5
105.07039	13.7
107.04989	3.3
107.08595	15.9
109.02857	13.1
109.06510	8.8
109.10148	2.6
110.56158	1.3
111.04459	7.4
115.05434	4.2
116.06219	1.2
117.07025	10.0
119.08571	13.5
121.02857	2.8
121.06503	16.7
121.10143	6.0
122.07288	1.5
123.08008	1.7
128.06207	4.1
129.06992	6.3
130.07768	2.6
131.08577	14.5
132.05699	2.6
133.10120	8.2
135.08063	25.9
135.11761	2.4
137.05983	4.6
137.09645	3.1
138.87392	1.2
139.03918	1.6
141.06969	2.3
142.07741	1.4
143.08571	10.0
144.05698	1.5
144.09349	8.2
145.06502	11.3
145.10124	12.3
146.07181	1.5
147.08064	6.0
149.09630	21.8
150.10378	5.1
151.11209	3.4
153.06985	3.0
153.09145	1.4
154.07724	1.4
155.08560	4.4
157.06497	1.7
157.10110	3.9
158.07297	3.9
158.10907	11.9
159.08075	12.4
159.11702	25.9
160.08841	3.6
161.09607	5.1
163.06285	2.3
163.07542	21.9
163.11212	5.8
168.09384	5.1
169.10101	3.6
170.10989	6.6
171.08002	6.9
172.08856	17.3
173.05971	1.6
173.09633	27.1
173.13255	32.1
175.07573	1.4
181.06451	3.0
183.11713	7.5
185.13223	1.3
186.10426	20.4
187.07565	4.4
187.11194	100.0
189.09126	2.1
191.07030	38.1
193.10158	2.2
196.08817	5.6
199.07614	1.7
201.09074	1.3
201.12756	48.5
205.12274	7.5
211.11240	10.0
214.09920	4.1
219.13802	4.9
229.12254	59.1
247.09512	3.1
247.13316	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Aromatin
Peak:m/z	Relative Intensity
55.05402	3.3
55.05690	1.6
55.64417	0.7
55.74707	0.6
57.03357	0.7
57.06997	1.1
65.16949	0.6
67.05392	8.3
67.05785	1.7
69.06948	4.3
71.04906	1.3
71.50272	1.4
79.05375	9.3
79.05871	1.3
81.06934	14.9
81.07457	1.9
83.04911	1.0
83.08514	1.8
91.05365	6.8
93.06927	12.3
93.07564	1.2
95.04861	2.5
95.08483	7.8
97.06472	0.8
97.10090	0.9
105.06911	7.3
107.04890	1.5
107.08591	8.8
108.00498	0.6
109.06514	4.1
109.10138	4.4
110.81100	0.6
111.07993	0.9
111.21163	0.7
115.05415	1.3
117.07021	3.4
119.08578	6.6
121.06441	1.6
121.10132	6.9
123.07993	1.9
123.11588	2.2
129.06841	1.0
130.07695	1.6
131.08585	6.0
133.10158	4.8
135.07944	2.2
135.11688	4.0
137.09505	2.3
141.06877	0.9
143.08472	2.9
144.63246	0.7
145.10123	8.7
147.11594	2.4
149.09517	2.3
149.13171	2.9
151.11119	1.7
155.08452	1.1
156.09329	0.7
157.10014	1.4
158.07304	4.5
158.08450	0.9
159.07979	1.9
159.11731	5.2
161.09619	0.8
161.13162	2.3
163.11102	1.3
163.14801	1.2
165.12732	0.9
171.08043	3.5
172.08786	3.3
173.09630	34.2
173.13197	3.7
174.06683	1.1
175.07515	0.7
175.14781	1.0
177.12718	0.8
185.05956	2.7
185.09712	0.8
186.10371	2.1
187.07555	1.3
187.11226	4.9
187.14777	1.6
189.09132	7.8
189.16428	1.0
191.10678	0.7
191.14349	0.8
200.08224	1.6
201.09102	35.0
201.16396	7.6
202.09888	4.3
203.06984	1.9
216.11464	100.0
217.08603	15.7
217.12100	6.3
224.55269	0.7
229.16045	0.8
229.19536	5.3
232.10962	26.2
233.44312	0.7
247.13335	48.1
247.16832	3.7
247.20561	25.5
247.24748	1.9
248.13512	0.7
254.81831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1231
Annotation	Ellipticine
Peak:m/z	Relative Intensity
55.01855	0.2
57.07079	1.2
65.56404	0.2
69.03428	0.3
69.07053	0.2
69.21452	1.4
69.21867	0.8
78.41808	0.2
81.07035	0.3
85.02856	0.3
91.04960	0.2
91.05479	1.0
95.08587	0.2
97.02854	0.4
103.05464	0.3
104.00229	0.2
105.07045	0.5
107.04935	0.3
107.08610	0.4
115.05457	0.7
116.06264	0.4
117.06992	0.3
119.08588	0.3
121.02827	0.6
129.07005	0.7
131.08591	1.2
133.10049	0.3
136.07616	0.3
141.06966	0.7
142.06540	0.7
143.07275	0.3
144.05704	0.6
145.06416	0.2
145.10104	0.6
157.06450	0.4
159.08058	1.4
159.11638	0.3
161.05998	0.5
173.05995	0.4
175.03896	0.2
187.07550	1.7
201.12723	0.3
203.07195	0.3
204.08035	0.6
205.08824	0.5
206.08336	0.6
215.06969	0.3
217.08649	0.8
219.10294	0.4
220.09682	0.5
220.11470	0.4
229.08655	0.5
230.09668	0.8
231.09099	1.6
232.09952	19.6
245.10808	2.6
246.11559	1.0
247.12308	100.0
248.12646	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	243.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04682	22.5
70.57660	56.6
79.05519	29.0
84.04516	37.4
86.09708	45.5
91.05490	54.5
93.07137	29.3
97.06504	36.0
98.21474	30.5
98.97562	27.4
105.07065	29.6
109.06555	37.3
115.62808	24.9
123.08006	28.3
140.04692	86.5
141.05481	57.1
151.03944	100.0
155.07059	70.7
165.05545	55.1
169.04927	68.1
181.04965	44.4
207.06366	36.9
215.07024	40.8
243.06577	58.8
243.10323	42.2
245.36700	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12210	1.5
54.04033	1.3
57.31555	1.3
62.21771	1.3
67.42144	1.4
68.35490	1.2
71.36273	2.7
82.99850	2.5
85.02871	1.9
97.01341	1.9
101.00891	17.8
103.00647	6.2
113.00866	2.9
113.33983	1.3
115.02420	5.9
119.01930	18.0
121.01654	5.4
127.02474	2.1
129.03963	3.1
131.01898	2.9
133.01645	1.4
133.03500	3.8
137.02960	2.3
143.01939	2.9
144.99733	1.4
145.01633	3.9
145.03487	3.7
147.03203	1.5
147.05023	1.9
155.01909	1.8
155.05557	3.8
157.01668	1.7
157.03461	2.3
158.40550	1.5
159.03146	1.9
160.94887	1.3
161.02953	3.0
163.02705	3.9
163.03926	1.6
168.99840	4.2
169.03561	2.5
173.02974	3.3
173.06613	2.0
175.02773	1.6
175.04463	1.2
181.07117	6.7
183.05177	1.5
187.00879	4.7
187.02545	2.4
187.04616	1.4
189.04166	1.4
196.99294	3.8
199.08116	4.0
200.82156	1.4
201.02472	2.4
201.05983	1.9
215.00412	9.1
217.04056	1.3
223.89989	1.6
225.06212	2.4
229.03239	28.8
233.01486	3.5
247.04309	100.0
248.07739	2.4
251.02467	2.8
266.08734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
55.05505	0.6
56.96336	0.3
56.96568	2.7
57.03433	0.2
58.06604	18.0
67.05507	0.5
69.03416	0.9
69.07070	0.3
70.06593	3.0
70.98051	0.3
72.08157	0.6
72.37894	0.2
73.02908	0.2
73.53310	0.3
81.03414	1.2
81.07046	0.3
82.30719	0.2
83.05013	0.3
84.07634	0.5
84.08145	10.4
84.96037	0.3
85.02888	1.0
85.06552	0.5
88.77650	0.2
90.29575	0.2
95.04951	0.3
97.02905	0.7
98.06049	0.5
98.09716	1.2
98.97582	1.3
100.11264	0.4
101.00864	0.8
107.04961	0.3
113.00867	0.4
114.05516	0.4
114.51762	0.2
116.07061	0.6
116.10698	0.3
116.98602	0.3
117.03327	0.2
119.01920	0.9
120.08122	1.4
121.01676	0.3
121.08470	0.8
124.07468	0.3
126.09132	0.4
127.00671	0.8
128.10727	3.9
128.92516	0.3
129.02165	0.4
129.04007	0.4
130.02501	0.3
131.01949	0.3
135.04454	0.3
137.04486	0.3
137.06552	0.4
138.96402	0.4
139.02425	0.3
143.01903	0.8
144.01883	0.3
144.10197	1.3
145.01787	0.3
145.03557	0.6
147.03188	0.8
147.05780	0.9
148.03593	0.7
152.07072	0.4
155.01920	0.6
155.05533	1.0
156.97464	1.8
157.03477	0.3
157.97591	0.3
160.04779	0.3
160.06593	0.9
161.02972	0.4
163.02698	0.4
163.03885	2.2
164.07098	0.4
164.10713	2.9
165.07480	0.9
165.11049	0.9
168.10190	1.1
169.03410	0.4
170.99670	0.5
171.03319	0.5
171.05099	0.4
173.06589	0.7
174.98549	0.7
181.01768	0.6
185.03186	0.3
189.04213	0.4
190.04753	0.4
195.05023	0.7
196.09688	5.7
197.03003	0.3
197.04819	0.5
197.06599	0.5
198.98604	1.5
199.00873	0.6
199.02737	0.5
209.10077	1.5
213.06094	0.4
213.15953	0.6
215.07611	0.3
216.99638	1.0
217.99794	0.3
218.04236	0.6
218.06598	0.6
221.05019	0.3
223.02776	0.7
235.04700	0.5
236.05270	1.3
241.03711	2.5
241.15471	100.0
242.13655	0.4
242.15814	1.5
259.04855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02365	4.3
53.03949	19.5
55.01867	5.8
55.05517	9.1
57.07077	1.2
65.03932	3.7
67.05189	1.5
67.05507	21.5
69.03419	4.8
69.07058	2.5
70.59995	2.8
71.05000	1.4
77.03933	7.9
78.04709	3.7
79.05495	78.1
80.06281	2.5
80.74090	1.4
81.03414	5.3
81.07048	2.9
83.04990	18.6
89.03922	45.0
91.05454	2.1
93.07023	1.7
95.04974	32.1
95.08634	1.5
96.05742	3.7
97.02883	3.3
103.05463	4.8
105.03378	4.1
105.04510	11.5
106.04176	2.7
107.04967	9.4
107.08541	1.4
109.14327	1.1
115.05435	6.2
117.03384	44.7
119.04852	1.3
128.06216	7.4
129.07007	7.8
131.04901	4.9
133.02846	8.3
134.03633	26.5
135.04427	40.9
141.06979	7.2
142.07791	6.7
143.04918	3.5
143.08601	2.5
143.15742	1.4
145.02855	35.9
145.04001	1.7
146.03653	2.0
147.04422	4.4
152.06255	10.1
153.06985	4.1
155.04880	1.6
156.05667	7.2
157.02753	2.0
157.03992	1.8
157.06520	5.3
157.10109	3.1
159.04433	7.1
161.02324	3.6
162.03128	4.1
163.03911	100.0
165.06999	4.9
167.08557	12.5
169.06490	4.4
170.07280	3.9
171.04433	2.6
171.08153	2.2
177.07072	2.0
181.06500	3.4
183.04539	1.7
184.05206	8.6
185.05988	2.7
185.09587	5.7
185.13255	1.3
186.05519	1.9
187.03900	2.4
195.08063	13.0
197.05975	4.1
198.06754	3.8
199.03928	5.1
199.07666	2.9
207.17339	1.4
212.04587	7.0
213.05679	1.4
213.09138	9.6
223.07556	4.6
226.06284	3.5
227.53412	1.4
241.08618	54.6
241.19563	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	241.0861
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02370	3.8
53.03948	17.5
55.01874	5.7
55.05493	4.1
57.03440	1.0
63.02393	1.0
65.03916	3.9
67.05509	27.7
67.50908	0.9
69.03419	2.6
69.07047	1.3
71.16881	2.3
77.03926	7.5
78.04702	1.6
79.05497	70.0
80.05828	1.2
80.06268	3.4
81.03423	6.1
81.07039	3.3
83.04976	10.7
89.03920	49.4
91.05482	3.2
95.04382	2.1
95.04971	35.6
95.08611	1.6
96.05778	5.0
103.05478	7.4
105.03395	5.3
105.04507	8.3
105.07038	1.2
106.04169	3.4
107.04966	5.5
107.08616	1.5
115.05466	5.8
117.02534	2.2
117.03382	39.7
117.07049	1.3
118.04115	1.1
121.10122	1.1
128.06239	6.1
129.03255	1.1
129.07014	6.4
131.04971	6.1
133.02884	7.2
134.03645	26.5
135.04419	39.9
135.05444	2.2
141.06955	2.7
142.07794	6.3
143.04903	4.6
143.08530	1.8
144.05717	1.5
145.02850	36.9
145.06517	1.4
146.03593	1.4
147.04414	3.7
152.06189	8.5
153.06964	3.0
155.04924	3.2
156.05696	6.2
157.02785	1.1
157.03963	3.0
157.06482	4.5
157.10121	2.0
159.04416	8.9
161.02325	3.6
162.03133	4.8
163.03909	100.0
165.07030	5.5
166.07841	1.3
167.08556	11.1
169.06480	4.4
170.07289	4.3
171.04436	2.1
171.08089	2.7
173.02370	2.5
177.07025	1.7
181.06471	3.2
183.04388	2.5
183.08043	1.5
184.05174	8.2
185.05870	2.8
185.09584	6.2
187.03954	1.1
195.08052	9.7
197.05913	5.4
198.06802	6.1
199.03897	5.4
199.07576	2.0
212.04721	2.2
213.05437	1.2
213.09081	7.8
223.07622	2.6
226.06314	1.4
241.08594	55.0
241.19717	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0862
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01873	0.8
55.05508	0.7
57.21860	0.5
67.05499	1.8
68.31029	0.4
69.03405	0.8
69.07069	0.7
73.08473	0.4
79.05498	1.0
81.03449	0.5
81.07053	1.3
83.04971	0.6
83.08638	0.8
85.02901	2.9
85.06525	0.9
88.08026	0.5
89.03902	0.5
91.05468	0.6
93.07013	0.7
95.08604	1.2
97.02911	0.6
97.06528	1.0
108.55080	0.4
109.10140	3.3
111.08076	0.5
115.05470	0.5
119.08614	0.5
121.10128	1.0
123.08105	0.7
128.06238	1.8
129.07050	0.9
135.11641	0.6
139.05348	0.7
141.06996	1.3
142.07756	1.3
143.08566	0.6
152.06235	6.1
153.06976	3.0
157.06512	1.3
157.10213	0.8
163.03951	0.8
163.11301	0.6
164.79895	0.5
165.07014	1.7
166.07745	0.9
167.08591	9.7
169.06522	1.2
170.07263	1.0
171.04341	0.7
171.08049	1.0
177.07019	1.8
180.05727	4.9
181.06502	9.2
181.08260	0.6
184.05222	5.8
185.06029	3.3
185.09628	1.7
195.04414	0.6
195.08081	15.2
197.06000	12.3
198.06772	7.1
199.03838	0.6
199.07545	3.3
205.06561	1.3
208.05164	0.5
209.05949	0.7
212.04698	2.8
213.05638	4.5
213.09106	14.7
223.07581	8.1
223.13240	0.8
224.08154	0.5
225.05453	1.1
226.04121	1.0
226.06261	13.8
226.08495	0.7
241.08615	100.0
242.08978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44684	0.4
58.06602	0.4
70.69904	0.9
73.86650	0.4
78.28500	0.4
80.33250	0.4
107.13745	0.4
108.51881	0.4
118.06548	10.8
119.07346	2.0
120.08106	48.2
122.06035	1.8
133.08856	0.4
136.06241	0.5
136.06425	0.6
136.07585	6.4
146.06012	3.6
146.09630	0.7
162.09125	4.5
164.07077	26.8
164.10719	57.2
165.11140	0.6
166.08607	1.0
180.10242	2.4
190.08713	2.0
196.09706	0.6
196.13329	0.4
208.09695	55.4
209.10088	0.6
210.07617	0.4
219.56342	0.4
240.12318	100.0
241.12619	1.8
241.15436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81190	0.5
61.20532	0.4
69.86960	2.1
70.98058	0.7
71.54418	0.4
71.74271	0.4
88.99091	0.4
91.05485	0.8
94.06613	0.6
109.07993	0.5
117.02205	0.7
118.06552	10.6
119.07330	1.6
120.08115	47.1
122.06023	1.9
129.02168	1.0
136.06454	0.5
136.07581	6.9
146.06009	2.6
146.09694	0.7
147.03217	3.3
152.14095	0.4
156.97458	0.9
160.60863	0.4
162.09155	4.4
163.03922	0.7
164.07080	26.4
164.10727	53.1
165.11066	0.7
166.08640	1.2
170.04802	0.5
171.03178	2.1
173.04781	0.8
180.10139	2.2
189.04233	2.0
190.08690	1.2
196.09573	0.8
196.13388	0.6
198.98613	0.7
199.02840	0.4
208.09703	52.4
209.10207	0.7
210.07558	0.6
212.05891	0.5
217.03773	2.4
235.04892	2.9
240.12325	100.0
241.12680	1.6
241.15463	2.5
253.02232	0.6
258.06485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33761	0.5
58.75119	0.4
69.03442	0.7
69.27271	0.5
69.58860	2.6
70.98055	0.6
80.95744	0.5
82.98289	0.6
85.02911	0.6
94.06554	0.8
97.02865	0.8
98.21511	0.7
98.97602	4.7
106.67097	0.5
110.06033	1.4
116.98620	1.4
118.06554	10.7
119.07343	1.6
119.50306	0.4
120.08118	50.1
122.06012	1.7
134.99777	0.5
136.06232	3.3
136.07585	8.5
143.15421	0.5
146.06036	2.7
146.09630	1.1
147.03212	1.3
149.08360	0.5
162.09148	5.1
164.07088	28.8
164.10736	57.0
165.11032	0.9
166.08646	1.5
171.03178	1.0
176.32474	0.5
180.10236	2.9
189.04260	0.7
190.08704	1.1
196.09744	1.0
196.13322	0.8
198.98637	0.6
207.52419	0.5
208.09714	53.9
209.10155	1.1
210.07657	0.7
216.00639	0.6
217.02043	0.8
235.04819	1.7
237.35774	0.5
240.12349	100.0
241.12680	1.9
241.15570	1.1
244.96951	0.6
258.99741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01854	3.1
55.05511	30.0
57.03441	3.9
57.07073	24.4
59.04997	33.9
67.05510	22.7
69.07071	45.9
69.62193	6.5
69.62612	10.1
71.04978	8.7
79.05492	20.8
81.06596	5.8
81.07057	98.7
83.04982	4.9
83.08621	28.3
85.06535	6.6
91.05492	6.3
93.07049	34.1
95.04958	3.6
95.08604	93.9
97.06536	16.0
97.10173	17.4
99.08070	9.2
105.07000	13.0
107.08598	38.7
109.06521	5.2
109.10155	46.9
111.08060	12.0
111.11713	13.6
111.82336	3.1
115.07554	4.0
119.08602	30.9
121.09507	2.8
121.10158	33.4
123.08064	4.3
123.11716	32.2
125.09596	17.1
133.10129	33.0
135.11697	27.0
137.09570	3.7
137.13260	100.0
139.11182	24.5
143.10660	7.5
147.11664	31.7
149.13254	14.1
151.11166	9.3
151.14731	4.0
153.12744	4.3
157.12233	6.0
161.13290	17.0
163.14824	36.6
165.12762	7.5
175.14862	3.6
177.16388	11.5
179.14369	4.4
193.19576	7.5
203.17943	60.7
221.19009	57.4
224.08438	3.5
239.06943	3.3
239.08972	4.8
239.20061	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	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.00832	3.3
53.03938	6.5
55.01882	5.5
55.05271	6.2
55.05516	80.5
57.03447	5.3
57.07075	6.3
59.05005	4.9
61.42566	3.2
67.05510	25.4
69.03429	9.8
69.07075	16.6
71.05003	34.5
79.05505	15.3
81.07060	54.1
83.04990	100.0
83.08616	8.4
85.02889	4.9
85.06533	5.9
91.05495	26.3
93.07051	42.9
95.04980	8.8
95.08626	33.2
97.06545	18.0
98.21538	6.1
98.97608	5.4
99.08060	4.0
103.05463	5.9
105.07044	49.7
107.04990	5.5
107.08599	38.2
109.06543	17.7
109.10169	40.2
111.08115	15.7
111.32257	3.5
115.05490	4.1
117.07021	6.9
119.08616	20.6
119.48167	3.6
119.75832	3.4
121.06543	7.5
121.10147	66.1
123.08073	11.0
123.11732	22.2
125.09614	5.2
127.11208	14.7
130.06551	3.8
131.04941	7.5
131.08565	17.7
133.10147	80.4
135.08075	9.5
135.11693	22.0
137.06058	4.9
137.09723	3.3
137.13240	6.3
137.14954	3.8
139.11183	30.4
145.10089	18.5
147.08026	7.2
147.11717	16.5
148.05211	5.7
149.02388	14.2
149.09572	8.7
149.13274	11.4
151.11205	55.2
153.12776	11.8
159.08041	6.5
159.11739	25.0
161.09647	6.9
161.13306	9.2
163.03911	6.4
163.07530	4.7
163.11185	11.6
173.09671	4.2
173.13297	5.7
174.06760	8.1
177.12772	6.5
177.16376	4.8
181.08749	5.3
189.09109	6.5
191.07045	40.8
191.14290	4.8
193.05014	7.7
201.16414	14.7
208.10927	3.7
219.10144	10.8
219.17482	35.3
237.03801	7.3
237.07578	12.6
237.10336	16.7
237.14928	18.7
237.18538	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03946	3.8
54.52627	3.2
55.05522	24.5
57.03439	4.8
57.07074	13.9
59.05011	34.8
67.05506	17.6
69.07085	35.2
70.71368	3.2
70.76602	4.8
70.76938	3.7
71.04987	6.6
71.08636	5.1
79.05487	11.9
81.07064	86.0
83.04976	3.4
83.08632	21.4
85.06545	10.0
91.05494	9.1
93.07047	26.3
95.08614	100.0
97.06556	9.7
97.10168	17.3
98.21280	4.0
99.08152	5.1
105.07057	15.5
107.08611	36.5
109.06521	7.9
109.09473	5.1
109.10174	42.8
111.08083	5.9
111.11729	10.7
113.09664	4.0
119.08600	20.4
121.10162	29.5
123.08070	4.4
123.11731	27.3
125.09651	4.3
127.01409	3.6
133.10156	25.0
135.11708	31.9
136.63528	3.9
137.13274	92.8
139.11224	17.9
143.10684	8.5
147.11671	28.8
149.13290	20.4
151.11182	7.8
161.13214	16.7
163.14847	36.4
165.12758	3.9
175.14830	8.4
177.16414	9.4
191.51273	3.5
193.19563	5.6
203.17967	58.2
221.19048	53.1
239.08943	5.1
239.20081	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	237.1486
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03933	1.7
55.01880	6.7
55.05515	5.8
56.96543	1.2
57.03424	1.8
57.07057	1.4
67.05508	10.9
69.03435	1.5
69.07072	24.4
69.41650	8.9
71.04981	5.0
79.05074	1.8
79.05493	21.2
81.03426	1.3
81.07061	16.6
83.04973	4.9
83.08624	2.4
85.06541	1.6
85.78625	1.0
87.04469	1.2
91.05487	18.3
93.07045	29.1
95.04988	6.5
95.08614	10.8
97.06526	3.6
98.21547	2.4
103.05468	2.5
105.07040	19.7
107.04967	8.9
107.08598	23.4
109.06530	13.9
109.10146	3.3
111.08085	2.5
111.25829	1.1
115.05450	2.5
117.07027	20.5
119.04913	1.3
119.08582	12.4
121.06503	25.4
121.10130	5.6
122.07307	1.1
123.08078	10.7
123.11700	1.2
125.05942	1.2
129.07016	3.1
131.04915	1.2
131.08577	18.6
133.06482	4.4
133.10095	8.0
135.08066	30.0
135.11668	4.3
137.05994	1.7
137.09618	2.8
139.80844	1.3
141.06992	1.4
142.07791	1.6
143.08533	2.3
145.06483	9.5
145.10118	8.6
147.08064	1.5
147.11693	1.9
149.02313	3.3
149.05956	1.5
149.09644	10.3
149.13254	7.7
151.07545	14.4
151.67932	1.3
153.09126	1.5
155.08527	3.5
157.10136	5.4
157.66022	1.1
159.08070	4.3
159.11711	21.9
161.09654	4.6
163.03845	1.4
163.07571	15.6
163.11186	3.1
163.14900	1.5
165.09140	1.7
167.07033	1.8
169.08580	4.9
173.13290	10.7
175.11171	4.2
177.09134	6.0
177.12755	12.4
179.10660	4.3
181.08586	20.1
181.10039	1.4
183.11702	10.3
191.14333	9.9
193.04938	3.4
193.12242	1.5
195.10138	6.1
201.11076	1.6
201.12762	15.6
219.13797	24.8
237.03867	3.5
237.07582	2.6
237.14854	100.0
237.22107	2.2
238.15283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03934	3.0
55.01867	4.7
55.05513	48.5
56.31594	1.9
56.96559	2.9
57.07058	6.2
59.04997	2.8
67.05183	2.5
67.05502	28.7
69.03422	4.5
69.07071	21.3
71.04984	4.4
71.08616	2.4
71.48918	2.4
79.05503	10.8
81.03425	2.1
81.07066	35.2
83.04985	43.9
83.08629	47.2
91.05482	12.2
93.07047	25.6
95.04977	13.8
95.08623	37.3
97.02863	3.2
97.06543	10.1
97.10171	2.7
105.07015	13.3
107.04926	5.2
107.08597	35.3
109.06528	32.8
109.09475	3.4
109.10166	42.3
111.04452	33.0
111.08047	8.2
113.06048	3.1
113.09639	9.4
117.06987	6.0
118.06438	2.1
119.08545	10.5
121.06494	26.3
121.10146	22.6
123.08047	6.3
123.11707	10.1
125.05981	6.0
125.09597	13.2
127.07516	7.8
131.08527	8.5
133.06433	2.4
133.10100	14.1
135.08055	14.6
135.11668	6.7
136.08839	32.0
137.05933	2.3
137.09621	26.7
139.07501	8.4
145.10060	3.6
147.11629	3.4
149.09631	3.4
149.13266	30.7
151.11201	4.8
151.14787	3.2
153.09125	10.9
159.08011	2.6
159.11697	17.7
161.09622	18.8
163.07646	3.8
163.11186	4.9
165.06906	2.0
167.14331	4.9
173.13199	7.3
177.05519	2.3
177.09103	2.7
177.12741	24.0
179.10686	70.7
191.14256	7.2
193.10204	2.9
195.13803	54.1
201.12714	3.2
219.06386	3.6
219.13741	7.9
219.76694	2.3
237.07497	5.1
237.14783	100.0
237.18660	4.3
237.22112	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	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40506	0.9
55.05502	1.2
57.03437	6.3
59.20712	0.9
75.04486	1.9
77.53344	1.0
79.05492	1.5
91.05480	2.0
93.07047	1.4
95.04984	1.4
95.08620	1.2
102.04682	5.2
103.05466	27.9
104.62117	1.0
105.07040	7.0
107.04967	2.3
107.08549	1.2
115.05442	1.3
117.07089	1.3
121.06503	1.4
121.10073	1.2
123.04478	1.1
129.06984	1.0
130.04149	14.7
131.04932	71.2
133.06522	6.0
135.04407	1.7
135.08118	1.2
139.04932	1.3
145.06502	1.5
147.04390	1.9
148.05194	100.0
160.05174	2.3
161.05975	14.4
162.06776	8.0
163.07542	55.3
175.07552	1.3
177.05510	1.5
189.09105	1.5
201.09119	1.1
204.07915	1.3
215.19476	1.1
216.59258	1.1
219.10106	1.2
228.93690	1.3
237.03816	3.2
248.84627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03939	4.2
55.01862	5.6
55.05518	44.5
57.03434	2.5
57.07054	5.7
65.03947	2.0
67.05186	2.8
67.05509	37.2
69.03413	3.1
69.06748	2.3
69.07076	23.7
69.34790	1.8
69.85177	9.3
71.04984	4.3
71.07446	1.9
79.05502	24.9
81.03397	4.0
81.07063	40.2
83.04985	40.5
83.08170	2.4
83.08624	44.6
85.06533	3.4
91.05491	15.8
93.03414	2.8
93.07048	28.2
95.04980	17.4
95.08619	46.4
97.00008	2.3
97.06560	11.5
97.10149	4.8
99.04463	3.3
99.08101	3.9
101.07021	2.0
105.07051	15.6
107.04987	11.4
107.08604	36.3
109.02853	2.0
109.05829	2.9
109.06522	43.6
109.10171	36.4
111.04463	24.6
111.08059	9.1
113.09613	8.1
116.06203	2.7
117.06985	3.7
119.08553	9.3
121.06506	26.7
121.10144	25.3
123.04387	2.5
123.08053	8.0
123.11745	9.8
125.05982	5.1
125.09628	10.1
127.07532	6.4
129.07008	2.1
131.04906	2.2
131.08607	9.9
133.10109	15.1
135.08063	14.6
135.11671	8.0
136.08871	30.6
137.05966	3.1
137.09644	21.3
139.03918	3.2
139.07484	8.0
143.08536	3.3
144.72131	1.9
145.10083	5.2
149.02324	2.6
149.05898	3.8
149.09627	3.7
149.12250	2.0
149.13281	26.3
151.11147	3.1
151.14777	5.2
153.09103	11.6
159.11653	11.8
161.09615	18.3
163.03853	4.1
163.11111	5.8
167.03355	4.2
167.14307	4.3
173.13223	7.0
177.05470	2.7
177.09109	3.7
177.12778	19.7
177.16457	2.6
179.10684	66.2
181.04964	2.5
181.08502	2.5
181.10025	3.1
191.03322	3.8
191.14253	7.2
193.04912	3.5
195.11740	5.7
195.13802	44.2
201.12732	6.2
209.04262	2.6
209.13251	2.5
217.39267	2.4
219.13734	9.3
219.21057	3.0
237.03865	8.7
237.14778	100.0
237.18527	3.3
237.22034	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	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.54850	1.3
53.03934	2.8
55.01864	2.1
55.05519	11.1
57.07079	15.3
59.04984	2.8
67.05500	13.2
69.03410	4.5
69.07069	11.8
69.74044	6.0
69.74436	2.2
71.04988	2.4
79.05494	12.3
81.03384	1.4
81.06660	1.4
81.07059	16.7
83.04961	3.1
83.08613	6.5
85.06512	4.6
91.05479	19.7
91.16169	1.1
93.07044	18.4
95.04982	7.9
95.08006	1.2
95.08600	23.2
97.06533	8.2
98.21416	1.7
105.07037	31.4
107.04923	2.6
107.08595	31.0
109.06520	8.1
109.10169	12.8
111.08078	4.5
115.05451	2.4
117.07007	5.4
119.04938	1.3
119.08587	92.2
121.06463	2.5
121.10136	15.1
123.04437	2.5
123.08063	4.9
123.11717	6.1
125.09642	1.7
128.06192	3.3
129.06979	4.2
131.04906	1.5
131.08571	16.3
133.06490	5.0
133.10132	46.6
135.08055	23.3
135.11687	7.2
137.09633	8.1
139.11183	1.7
142.07748	6.0
143.08568	12.2
144.09323	3.0
145.06485	2.4
145.10129	16.6
146.07228	1.8
146.10754	1.3
147.08081	7.3
147.11694	22.7
149.09630	4.3
149.13223	2.6
151.07593	1.4
151.11198	9.1
153.18306	1.2
155.08490	1.5
156.09326	3.7
157.10130	12.6
158.10915	3.8
159.11694	15.9
160.08844	2.6
161.09621	28.5
161.13255	5.4
165.08960	1.7
170.10875	1.5
171.08040	2.1
171.11684	7.3
173.09633	1.6
173.13263	21.2
175.07579	1.2
175.11189	13.4
175.14828	18.0
177.12793	7.4
179.10687	17.5
184.12462	2.5
187.11203	3.6
187.14803	3.7
189.12674	2.3
189.16397	22.9
191.14334	3.7
193.15875	3.5
199.14801	14.4
202.13484	3.9
203.10739	2.7
217.15884	100.0
217.19328	2.9
218.16170	2.4
235.06113	2.0
235.13528	8.4
235.16931	92.8
235.20697	4.1
236.17361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02377	1.4
53.00309	1.1
53.03950	5.6
54.02069	1.0
55.01886	4.6
55.05513	8.7
57.03440	1.0
57.06804	1.5
57.07078	27.0
64.82233	0.9
65.03939	2.6
65.16508	1.0
67.05230	0.9
67.05514	9.2
69.03416	4.0
69.07084	4.6
69.89787	4.1
71.01350	0.9
71.05008	4.4
79.05496	26.7
81.03404	3.7
81.07059	39.0
83.04985	8.2
83.08616	2.0
85.02894	1.6
85.06530	3.7
86.96854	0.9
87.04449	0.9
87.08112	1.7
91.05488	26.3
93.07047	44.4
95.04967	10.7
95.08615	11.4
96.50492	1.1
97.02859	1.4
97.06528	15.8
98.97597	1.3
99.04457	3.3
103.05453	2.9
105.04507	1.7
105.07034	29.4
107.04971	11.1
107.08600	15.4
109.02921	1.2
109.06519	28.6
109.10145	2.6
110.53951	0.9
111.04438	1.8
111.08090	2.6
113.05972	1.5
115.05449	5.6
117.07029	8.1
119.04939	2.6
119.08582	20.3
120.08121	1.4
121.06512	100.0
121.08382	2.8
121.10127	4.9
123.04425	5.3
123.08078	5.1
123.08862	0.9
123.11696	3.0
123.17701	1.0
125.05988	2.8
125.09532	1.2
127.07578	12.0
128.06242	5.4
129.07028	9.6
131.04965	2.1
131.08540	8.1
132.05658	1.4
133.06493	7.6
133.10138	12.9
135.04427	4.5
135.08075	7.3
135.11664	2.9
137.05968	4.6
137.09636	5.3
139.03903	1.3
139.07536	7.3
141.07028	2.1
142.07755	7.4
143.04907	1.0
143.08569	10.3
145.06491	8.2
145.10162	8.9
146.07306	1.2
147.04433	1.8
147.08055	7.7
147.11691	17.3
149.06007	1.5
149.09615	4.6
149.13246	1.4
151.11198	1.0
155.06046	2.8
156.09329	4.8
157.06461	3.2
157.10143	16.9
158.07245	1.2
159.08116	1.6
159.11691	2.1
160.05209	1.2
161.06013	6.2
161.09650	5.8
161.13225	4.8
163.07619	1.1
163.11148	2.0
165.05598	1.5
165.07028	2.9
166.07791	2.7
171.08025	2.3
171.11688	14.5
173.06056	4.5
173.09618	1.5
173.13245	2.0
175.03961	1.5
175.07541	7.6
175.11185	26.9
175.14804	3.5
177.09023	1.1
177.12814	1.1
178.07774	2.5
179.08554	2.3
179.10689	14.8
181.05017	1.0
181.10129	4.2
184.08823	3.6
189.05463	3.4
189.07018	2.1
189.09099	2.9
189.12749	21.9
189.16356	5.7
190.06187	2.7
191.07054	1.8
191.14355	1.8
193.04988	1.6
193.15973	0.9
199.11201	25.7
199.14868	2.2
203.07007	2.1
205.08609	1.8
207.06416	1.6
207.08081	8.6
207.09953	1.7
207.13724	1.4
217.04945	2.0
217.08652	2.6
217.12248	37.8
217.15546	5.9
218.12640	1.1
235.02309	1.2
235.05893	3.8
235.07555	6.1
235.09418	8.1
235.13322	28.3
235.16948	76.7
236.17108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05040	12.1
57.06798	0.4
57.07078	6.9
57.55088	0.3
58.06607	6.4
59.84898	0.3
60.04536	1.9
62.49457	0.3
63.76834	0.3
68.05013	0.9
69.07069	0.8
70.95719	0.4
70.96049	0.6
71.08635	4.2
74.06087	10.1
76.41608	0.4
81.07059	0.6
86.06084	1.8
88.07639	30.9
90.05547	0.4
91.05473	0.7
104.07094	0.9
105.07014	0.8
106.07342	0.5
114.24098	0.4
117.07066	0.4
118.08661	5.4
120.05288	0.5
122.08151	8.8
127.74627	0.4
128.06290	0.5
131.04935	0.4
143.08557	0.4
146.10475	1.2
168.18144	0.3
171.08104	0.8
172.17033	0.4
174.09894	0.9
186.18546	57.0
187.18907	0.7
188.11432	1.0
192.24025	0.4
193.72377	0.3
203.10660	1.0
204.08192	0.4
205.08926	0.7
206.09587	0.6
216.11053	0.9
216.19556	2.0
218.09734	0.5
219.10454	1.0
234.09071	1.2
234.12943	2.8
234.20654	100.0
235.09270	0.3
235.13249	1.4
235.20966	1.1
238.96724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03932	6.5
55.01882	14.0
55.05276	1.9
55.05515	22.6
57.03435	1.7
60.13231	1.9
65.03931	3.4
67.05510	47.2
69.03436	2.4
69.07076	20.9
71.04988	1.7
79.05498	100.0
81.03403	4.2
81.06596	2.7
81.07063	41.1
83.04991	10.3
83.08630	10.8
85.06555	3.5
91.05486	74.6
93.07047	57.6
95.04976	21.4
95.08611	21.2
97.06535	66.7
97.10123	2.8
99.08118	1.7
101.11777	1.8
103.05457	6.2
105.03393	1.9
105.04486	2.6
105.07033	47.4
107.04970	10.2
107.08597	31.5
109.06538	20.5
109.10156	12.2
111.08074	6.4
115.05443	11.8
116.06239	3.7
117.07030	35.5
119.04967	1.8
119.08585	49.7
121.06520	15.7
121.10159	12.6
123.04403	4.5
123.08084	14.0
123.11696	1.7
125.05987	2.5
125.09589	2.6
128.06226	8.0
129.07021	19.1
130.07756	8.6
131.08575	57.9
133.06512	8.8
133.10115	11.6
135.08058	20.8
137.09624	8.8
141.07008	13.3
143.08557	23.6
145.06459	6.2
145.10127	47.9
147.08025	11.7
147.11679	3.8
149.09650	15.7
151.07536	3.7
153.07045	2.4
155.08565	23.1
156.09340	3.6
157.10127	4.7
158.07281	19.2
159.04401	2.8
159.08028	7.6
159.11717	11.8
161.05927	2.6
161.09570	3.0
169.10133	20.3
171.08086	2.9
171.11729	9.6
172.12410	1.9
173.06046	2.0
173.09647	47.9
173.13277	10.7
175.07552	2.5
175.11139	2.0
175.14775	2.0
177.09081	2.2
182.10924	3.7
183.09209	3.5
186.06813	2.4
187.07494	2.2
187.11163	4.7
187.14861	13.7
189.09044	2.8
189.12729	2.7
197.13277	56.1
201.09126	34.1
205.06705	2.2
205.08588	3.7
205.15875	5.5
205.45213	2.0
215.06972	2.7
215.10718	1.7
215.14314	25.2
215.17892	3.7
218.09363	2.5
232.46428	1.7
233.04459	5.5
233.08054	5.6
233.11806	14.2
233.15363	52.7
233.19077	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	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03936	3.3
55.05523	7.1
57.07054	4.4
57.95290	1.3
59.05000	3.0
63.05616	1.3
65.03949	2.9
67.05510	9.3
69.03432	16.9
69.07056	4.6
70.80077	2.6
71.04994	4.1
77.03902	1.9
79.05493	43.6
81.03431	2.3
81.06685	1.1
81.07072	10.3
83.04969	3.2
83.08610	4.8
85.02910	1.8
85.06533	5.1
91.05481	21.5
93.07043	12.6
95.04975	25.0
95.08598	8.6
97.06512	2.8
97.78943	1.2
103.05479	3.3
105.07037	26.4
107.04955	33.6
107.08600	22.3
109.06506	7.7
109.10171	8.2
111.04436	2.9
111.08054	4.4
113.06007	3.2
115.05444	3.2
116.06211	3.3
117.07011	14.2
119.08587	89.8
121.06501	6.7
121.09313	1.8
121.10132	12.8
123.08061	3.9
123.11692	3.0
125.09612	3.3
128.06218	3.5
129.07001	5.2
130.07761	4.4
131.04953	3.2
131.08574	22.9
133.06519	6.6
133.10103	15.6
135.08041	5.9
135.11685	2.1
137.09621	10.4
141.06990	1.6
142.07802	4.2
143.08540	8.4
144.05693	3.3
144.09375	2.1
145.06497	6.1
145.10126	37.1
147.08049	33.8
147.11703	14.6
149.09650	14.2
149.13219	2.9
149.32527	1.5
151.11124	1.7
155.06050	2.3
155.08614	4.0
156.09340	4.8
157.10120	11.1
158.07257	6.5
158.10901	3.6
159.08060	8.5
159.11702	5.2
160.08858	1.9
161.05980	1.7
161.09644	4.2
161.13216	3.0
163.11174	8.2
163.14870	2.0
167.08574	4.2
169.10085	3.6
171.11758	6.5
172.05170	3.9
172.12393	1.9
173.05949	1.6
173.09630	15.9
173.13255	17.0
175.11177	16.0
177.09166	4.0
182.10899	4.3
187.11182	4.9
187.14835	10.6
189.12753	5.8
191.03340	3.7
191.10802	1.9
191.14301	39.6
197.13242	9.2
201.09082	8.1
205.08643	2.8
205.15913	1.7
214.06691	1.6
215.10828	2.4
215.14328	19.1
215.17697	1.8
233.04288	2.2
233.08044	11.0
233.11646	5.2
233.15367	100.0
233.19051	3.6
233.23009	8.1
234.15608	1.7
245.33838	1.4
248.78540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03941	3.1
55.01883	0.9
55.05513	4.6
55.05728	0.7
57.07065	2.6
67.05511	4.2
69.03432	7.9
69.07056	2.2
69.56352	3.3
69.56751	1.7
71.04978	0.9
79.05496	50.9
81.03387	1.0
81.07053	5.5
83.04993	1.5
83.08622	5.7
85.02887	1.3
85.06532	3.8
88.10699	0.8
91.05493	8.5
93.07060	6.6
95.04957	3.3
95.08595	4.3
97.06519	1.2
103.05484	1.1
105.04532	1.5
105.07037	13.6
107.04958	55.5
107.08607	10.3
109.06533	2.4
109.28426	0.9
111.08105	5.3
113.05998	1.1
115.05427	1.0
117.06995	3.5
119.07810	1.2
119.08588	13.6
121.06535	3.8
121.10162	5.6
123.08033	1.2
124.24777	0.9
125.09621	2.3
129.06989	2.8
130.07770	2.0
131.04816	0.9
131.08580	12.4
133.10146	8.8
135.08052	4.0
135.11688	1.1
137.09673	5.2
142.07796	1.3
143.08559	3.3
144.09256	1.1
145.06448	2.5
145.10127	16.5
146.10934	0.8
147.08057	16.4
147.11696	15.2
149.09637	6.4
149.13260	3.3
155.08553	1.3
156.09396	1.2
157.10147	6.4
158.07230	2.3
158.10887	2.4
158.23669	0.8
159.08031	6.1
159.11699	2.8
160.08862	1.3
161.09682	0.9
163.11118	3.8
163.14761	1.0
171.11694	2.4
173.09625	4.3
173.13274	10.3
175.07634	1.4
175.11186	19.2
177.05400	1.1
182.10938	1.6
187.07492	4.2
187.11159	1.0
187.14825	5.2
189.12779	4.7
191.14316	64.3
197.13286	3.1
201.09055	2.4
202.09906	9.3
203.06992	3.1
203.10201	0.9
205.04875	0.9
215.14326	7.9
215.17683	0.9
218.09404	4.2
233.04410	1.7
233.08052	1.9
233.12027	7.0
233.15372	100.0
233.19081	3.2
234.15736	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.80808	0.8
53.03946	5.8
55.01872	22.0
55.05275	1.4
55.05511	19.8
57.03420	3.8
57.07069	1.5
61.15343	1.0
65.03927	3.5
67.05507	35.3
68.05827	1.2
69.03426	2.3
69.07067	14.6
71.04980	3.1
71.50143	1.9
77.03910	1.5
79.05495	54.2
81.03403	2.6
81.07055	41.7
83.04973	14.1
83.08609	4.1
85.06566	1.2
91.05482	68.5
93.07045	34.9
95.04969	25.3
95.08604	18.5
97.02865	2.7
97.06513	3.8
97.10165	2.7
103.05478	4.4
105.04512	2.5
105.07033	51.4
107.04958	49.7
107.08593	17.3
109.05808	1.6
109.06516	22.1
109.10168	8.0
111.08079	2.8
115.05481	5.8
116.06219	1.3
117.07021	27.7
119.04977	1.4
119.08578	34.1
120.05701	2.5
121.06508	23.9
121.10123	9.1
123.04418	11.1
123.08045	4.8
123.11678	2.8
125.09618	1.1
128.06204	2.7
129.07018	8.0
130.07774	2.5
131.04922	2.6
131.07600	2.1
131.08568	33.6
133.06508	13.2
133.10133	11.4
135.08051	13.9
135.11668	4.7
137.05966	2.3
137.09625	2.9
139.11177	0.9
141.07021	5.0
143.08571	6.4
144.09328	1.1
145.06470	11.4
145.10120	22.9
147.08057	6.7
147.11685	3.6
149.05995	2.5
149.09633	5.6
151.03200	1.5
151.07536	1.7
151.11157	1.3
155.08554	6.0
157.10133	1.7
158.07275	4.5
159.08104	5.1
159.11664	6.5
161.09604	2.1
163.11163	6.5
168.64523	1.1
169.10172	5.3
171.11659	7.4
173.08286	1.3
173.09654	10.0
173.13240	13.7
177.05463	5.9
178.06233	5.3
187.07587	1.5
187.11143	3.3
187.14812	10.5
189.12817	1.8
191.07051	2.3
191.10576	1.3
191.14310	3.0
197.13304	5.7
198.88393	1.0
201.09088	5.3
205.04939	1.5
205.15912	6.0
215.10863	1.2
215.14308	13.4
215.17807	2.1
233.04376	2.8
233.08015	2.5
233.11890	9.7
233.15352	100.0
233.18756	9.4
234.15790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03955	3.5
55.01860	3.6
55.05508	3.8
56.05040	11.3
57.07087	9.0
58.06591	4.8
65.03931	3.2
67.05505	8.2
69.03429	10.6
69.07062	3.2
70.08828	4.5
71.04987	5.7
71.08625	4.3
74.06077	10.3
74.18898	1.4
77.03918	2.8
79.05489	13.3
81.03406	3.6
81.07053	10.9
83.04964	3.6
85.02882	1.7
85.06543	4.3
88.07632	35.0
91.05478	34.9
93.07047	23.3
95.04975	13.2
95.08598	4.2
97.06528	3.5
98.20788	1.7
99.04436	10.5
103.05453	4.3
105.04535	1.5
105.06315	2.7
105.07030	46.5
107.04955	9.2
107.08577	7.0
109.06494	7.1
110.78870	1.5
111.04424	1.8
113.05942	2.0
114.30850	1.5
115.03971	2.0
115.05432	8.1
116.06266	2.5
117.07031	24.3
118.08662	5.9
119.04945	56.4
119.08585	15.0
121.02918	2.2
121.06506	22.6
121.10084	1.5
122.08148	9.7
123.04425	2.7
125.05968	2.6
127.13848	1.7
128.06223	7.0
129.07022	11.7
130.07797	9.6
131.04922	5.9
131.08565	25.1
133.06509	7.5
133.10059	7.4
135.04396	1.8
135.08034	4.9
135.11667	2.8
137.05974	3.3
141.06999	7.6
142.07770	3.3
143.08588	13.7
144.05675	5.2
144.09323	7.2
145.06491	17.5
145.10121	76.9
147.08061	6.2
147.11699	5.5
149.02322	4.9
149.05994	2.7
149.09593	2.7
153.06952	3.2
154.07788	8.0
155.06070	1.8
155.08539	5.1
156.09338	2.6
157.06537	2.1
157.10123	3.6
158.07306	9.5
159.04414	1.9
159.08075	13.9
159.10472	3.0
159.11702	42.9
161.05986	3.9
161.09641	3.0
163.03964	1.6
163.07532	5.9
163.11195	13.2
167.03375	5.1
169.10086	16.4
171.08072	2.4
171.11679	4.4
172.05170	4.8
172.08800	7.7
173.05995	4.2
173.09625	72.5
174.10226	1.5
175.07568	6.0
177.05527	2.0
177.12752	3.2
179.08546	3.5
182.07243	3.8
186.18529	61.3
187.07568	5.0
187.11182	75.8
187.14803	2.2
188.11653	2.7
189.09109	4.8
189.12749	5.3
191.03413	8.3
191.07063	2.1
191.10629	8.2
197.09631	14.4
201.09062	3.6
202.09906	7.8
203.07085	4.1
204.08150	2.9
205.08575	8.2
205.12285	13.4
215.03474	2.4
215.10672	62.1
216.19511	1.8
218.09366	8.8
233.04451	3.5
233.08180	18.6
233.11710	53.7
233.15169	8.3
233.19006	3.0
233.22302	1.6
234.09100	2.0
234.12621	4.6
234.20651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03944	1.1
55.01881	1.3
55.05511	1.9
67.05498	3.7
69.03429	3.6
69.07067	2.5
71.04985	2.8
71.22807	2.0
71.33075	0.9
79.05485	5.1
81.07060	4.1
83.04984	1.0
85.37990	0.9
90.49472	0.9
91.05476	12.1
93.07059	8.6
95.04979	4.8
95.08560	1.1
99.04450	3.9
103.05478	1.4
105.07040	20.3
107.04966	7.6
107.08605	2.0
109.06507	2.1
113.67021	0.9
115.05441	2.7
116.06227	1.7
117.07011	12.6
119.04932	2.9
119.08593	6.1
121.06508	8.3
121.10153	3.2
128.06224	2.0
129.06996	3.2
130.07817	7.0
131.04938	1.4
131.08600	8.6
132.05704	1.3
133.06502	2.9
133.10106	2.6
135.08096	1.9
135.11745	1.2
137.05945	1.0
141.06982	2.9
142.07735	1.2
143.08551	6.1
144.05847	0.9
144.09384	2.3
145.06477	7.5
145.10127	52.2
147.08087	2.0
147.11725	6.5
148.08754	1.1
149.05949	0.9
149.09642	1.0
154.07797	2.3
155.08514	2.2
158.07274	6.9
159.08047	4.4
159.11690	13.3
161.05891	2.0
161.09624	1.1
163.07518	1.3
163.11191	22.9
169.10112	6.2
171.11697	1.6
172.08858	2.1
173.09628	100.0
173.84767	1.0
174.10019	2.6
175.07492	2.6
177.09090	1.4
187.07529	1.1
187.11191	25.3
189.09100	2.4
189.12711	1.4
191.10645	4.6
197.09656	4.0
201.09128	4.7
205.08574	1.6
205.12230	5.1
215.07088	0.9
215.10692	19.7
215.14133	1.1
233.04469	1.5
233.08023	2.7
233.11748	27.4
233.15413	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	233.1174
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.41540	0.8
52.76561	0.6
53.03936	1.6
55.01875	1.2
55.05491	2.4
57.07067	1.1
60.27982	0.6
67.05513	4.0
69.03416	3.0
69.07063	1.5
70.06569	0.8
71.04986	1.6
71.48499	1.1
76.41003	0.7
79.05496	7.7
81.03432	1.4
81.07063	3.7
83.04971	0.9
83.08610	1.3
85.02869	0.9
85.06539	1.1
91.05486	9.8
93.07050	5.1
95.04980	4.7
95.08605	3.6
103.05458	2.5
105.07040	18.9
107.04962	5.2
107.08607	5.7
109.06544	1.7
109.10158	2.2
111.04474	0.7
115.05442	6.6
116.06303	1.4
117.07021	10.0
119.04936	0.9
119.07809	1.3
119.08584	15.5
121.06511	2.9
121.10171	4.0
123.08072	1.2
123.11692	0.9
125.09645	0.7
128.06221	8.3
129.07004	6.8
130.07806	18.4
131.04922	3.0
131.08582	7.9
133.06503	1.7
133.10146	4.3
135.08090	2.1
135.11684	1.8
137.09604	2.3
141.06995	3.2
142.07784	1.5
143.08569	32.6
144.05711	3.0
144.09335	1.1
145.06502	6.1
145.10127	63.1
146.10574	1.3
147.04417	1.1
147.08017	4.6
147.11684	4.3
149.09625	2.0
149.13286	1.2
153.06993	3.2
154.07814	1.6
155.06067	2.0
155.08543	14.1
157.06532	2.8
157.10129	2.1
158.07278	61.6
159.04349	0.9
159.08041	4.7
159.11702	4.4
160.05290	1.0
161.06055	1.6
161.09612	1.8
161.13214	1.1
163.07530	1.0
163.11163	1.9
169.10098	1.5
171.04446	1.3
171.08073	4.4
171.11702	1.0
172.05191	2.3
172.08847	2.3
173.09633	100.0
173.13004	4.4
174.06616	1.0
174.09998	2.2
175.07518	1.7
175.11209	1.9
177.09088	1.1
183.09232	8.0
185.05998	1.5
186.06801	8.9
187.07484	2.2
187.11209	3.7
187.14897	3.5
189.09169	2.5
189.12770	1.7
189.16414	0.8
191.03357	3.6
191.10663	1.4
191.14380	5.0
197.13327	2.1
201.09114	85.7
202.09723	3.5
203.07037	1.9
205.08611	3.9
215.07074	1.6
215.10718	3.2
215.14275	2.6
215.17975	2.4
218.09393	4.2
233.04469	2.2
233.08156	8.6
233.11745	30.6
233.15396	21.1
233.18930	4.7
233.22954	4.8
236.43718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03942	1.7
55.01860	3.0
55.05495	1.7
57.51955	0.7
65.03926	1.6
66.14124	0.7
67.05511	3.7
69.03421	2.5
69.07057	1.9
70.50651	2.1
71.04991	1.9
79.05501	11.1
81.03418	1.5
81.07059	8.1
83.04998	1.1
85.06566	1.1
91.05478	13.4
93.07040	10.7
95.04983	4.6
95.08618	2.1
97.06522	1.7
99.04445	2.3
103.05465	2.7
105.07029	23.8
107.04957	9.9
107.08588	3.4
109.06509	5.9
109.10178	0.9
115.05443	5.1
116.06194	1.4
117.07022	12.1
119.04945	13.2
119.08587	6.8
121.06517	11.7
121.10150	2.3
123.04419	1.0
123.08012	1.2
125.05988	0.9
127.07502	1.1
128.06197	3.2
129.06978	6.4
130.07796	8.4
131.04915	2.1
131.08589	9.1
133.06509	6.1
133.10139	2.9
135.04420	1.7
135.08035	3.0
135.11757	1.3
137.05994	7.1
141.06978	3.4
143.08537	7.1
144.05701	3.1
144.09343	2.7
145.06473	9.3
145.10124	43.2
146.10519	0.9
147.08064	2.4
147.11705	6.1
149.06004	1.2
149.09541	1.1
153.06981	1.8
154.07794	3.9
155.06029	1.8
155.08560	2.7
157.10194	1.2
158.07236	5.5
159.04462	2.1
159.08055	5.4
159.11711	11.9
160.05183	2.3
161.05994	3.8
161.09630	1.1
163.03976	0.8
163.07440	0.9
163.11200	14.1
167.08533	1.1
169.06487	1.3
169.10146	7.4
171.08083	2.2
171.11678	1.6
172.05220	1.3
172.08835	2.3
173.05980	3.2
173.09628	100.0
174.06700	1.3
174.09938	2.3
175.07562	1.7
177.05511	1.3
177.09166	1.0
177.12740	0.7
178.07782	0.8
179.08543	3.7
181.06422	1.1
182.07257	3.1
187.03958	0.8
187.07582	1.8
187.11189	25.6
187.14799	1.0
188.11371	0.9
189.05609	0.9
189.09052	2.3
189.12804	2.9
191.03400	1.4
191.10678	2.6
197.05994	1.1
197.09615	12.7
200.04686	0.9
201.09135	0.8
203.06961	0.9
204.07953	1.1
205.08597	2.5
205.12268	3.1
215.03275	0.7
215.07193	2.0
215.10663	25.3
218.09619	1.2
233.04352	1.5
233.08167	7.8
233.11722	19.7
233.15175	3.6
234.12808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16466	4.8
50.76167	5.4
57.11395	5.1
69.82579	4.9
70.09055	9.5
71.97567	5.5
72.10078	5.0
72.70660	5.9
82.99857	15.9
85.02866	6.3
97.02873	6.1
101.00883	46.4
103.02391	5.3
105.74712	4.8
115.02447	5.1
119.01949	46.3
131.01872	7.3
133.03456	21.8
143.01909	100.0
157.03484	10.8
161.02965	76.0
173.02959	14.6
175.04507	5.3
187.02763	6.5
187.04518	7.7
191.04008	16.6
193.09596	6.2
233.04524	6.6
233.06364	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
67.05495	1.2
69.03432	2.9
70.84526	1.6
71.46986	0.6
73.65928	0.6
79.05497	2.1
79.94722	0.5
83.04974	1.1
90.93211	0.5
91.05502	4.9
93.07050	2.0
95.04971	0.9
97.06526	2.3
105.07035	5.1
107.04980	0.7
107.08626	1.6
109.06536	0.7
109.11380	0.6
111.04443	0.8
115.05487	1.7
117.07035	1.9
119.08592	7.3
120.08126	0.9
121.06515	2.6
123.08069	1.4
128.06241	0.8
129.07028	2.3
130.07811	0.7
131.08566	4.1
135.08069	100.0
136.08415	0.6
137.05991	1.2
139.07544	0.9
141.07005	2.6
142.07790	1.0
143.08580	1.9
144.05777	1.0
144.09383	3.7
145.06516	2.3
145.10114	3.3
147.08078	1.4
147.11742	0.7
149.05989	0.7
151.07565	2.1
154.07823	2.5
155.08578	1.6
156.09361	7.1
157.06497	2.9
157.10170	0.8
158.07298	3.6
159.04407	1.1
159.08060	5.2
159.11719	16.0
160.05161	0.8
161.05940	0.7
161.09656	1.6
169.10133	3.9
170.10963	1.2
171.11728	2.1
172.05322	0.6
172.08844	15.1
173.09637	19.1
174.10287	1.0
175.07509	0.9
187.11203	34.1
188.11617	1.3
189.12782	2.2
191.10638	1.2
197.09657	2.1
200.08371	0.9
205.12148	1.2
215.07288	1.2
215.10710	19.2
232.47997	0.7
233.04405	1.0
233.08134	2.0
233.11751	13.1
233.15344	1.1
244.75475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01865	2.7
55.05522	2.6
56.96561	4.8
57.03428	3.9
57.07061	1.4
59.04989	2.1
67.05511	9.4
67.85648	1.3
68.99783	1.9
69.03434	37.7
69.07061	2.8
71.01337	4.7
71.04985	6.6
71.48039	2.5
73.02905	3.6
79.05509	3.3
81.03422	14.1
81.07055	8.7
83.04967	4.8
83.08617	1.6
85.02917	12.0
85.06552	2.5
87.00843	3.8
91.05495	9.9
93.07061	11.6
95.04973	52.1
95.08611	2.2
97.02896	11.1
99.04440	6.2
105.07025	9.6
107.08630	6.8
109.02888	4.5
109.06547	2.2
109.10143	6.2
111.08083	2.7
113.06014	51.4
115.05462	3.6
119.04921	4.2
119.08559	4.1
121.10120	4.6
123.04396	4.1
123.08083	1.7
123.11699	2.7
127.03905	6.8
128.06194	7.0
129.07002	4.1
131.08566	4.2
133.06354	1.3
133.10132	6.8
135.08067	1.7
141.05470	100.0
142.07762	2.4
143.08557	17.4
145.04922	1.7
145.06517	1.7
145.10126	2.9
147.04424	13.7
147.08076	1.6
147.11711	1.9
148.04726	5.4
151.11180	23.0
157.06438	2.2
157.10178	2.3
159.08060	2.4
161.05975	2.3
161.09634	19.7
170.07291	8.3
171.04486	1.4
171.08047	1.7
171.11761	1.5
175.07607	3.2
177.12724	1.6
179.10703	12.4
185.05989	3.2
185.09622	3.8
197.11748	2.5
203.06969	2.9
213.05502	1.8
213.09105	3.6
213.12666	2.3
216.07910	1.7
231.02948	3.0
231.06535	5.4
231.10184	17.5
231.13905	3.3
231.17397	2.2
240.23903	1.6
249.02878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41084	0.7
54.61222	0.7
56.61922	0.7
60.03951	0.8
62.30611	0.7
67.05513	1.2
69.03434	2.0
70.08562	2.9
81.03402	1.1
81.07047	1.8
83.04999	1.1
85.02911	0.9
91.05496	2.8
93.07090	0.8
95.04984	1.4
95.08640	1.2
97.02917	0.9
99.04474	1.0
105.07027	1.7
107.08579	0.9
111.04464	1.0
115.05443	1.6
117.07033	1.3
119.08601	1.2
123.04428	1.7
128.06236	3.5
129.07021	12.4
131.08617	1.4
132.08073	1.4
139.05415	0.7
141.07001	2.5
142.06596	1.1
142.07756	1.3
143.04926	0.9
143.08569	1.4
144.08109	4.3
145.06520	0.8
147.04420	1.3
155.06126	1.0
156.08101	37.3
157.06439	1.6
157.10077	2.0
158.09676	2.4
159.08038	1.2
159.09178	4.6
160.07558	1.6
161.06024	1.3
165.07054	1.0
167.07303	5.5
167.08563	1.3
168.08101	24.9
170.07309	4.7
170.09634	7.5
171.08041	0.9
171.11650	1.1
173.05991	1.4
175.07594	2.7
183.06660	0.9
184.07588	61.7
185.06129	1.6
185.08031	1.3
185.09598	1.7
186.09119	1.2
187.07289	0.9
187.12367	1.6
188.07043	1.8
189.05467	1.7
189.09067	0.9
195.08093	1.3
196.07574	7.5
198.06822	1.0
202.08640	100.0
203.03438	1.3
203.07077	1.7
203.08905	2.0
203.10655	1.5
213.05412	1.0
213.09103	3.5
214.08641	40.5
216.07803	1.7
231.02899	2.4
231.06499	2.6
231.08092	1.6
231.10283	9.0
231.13864	1.3
231.17406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.74635	0.5
55.01879	0.9
55.05519	9.1
57.03444	19.0
57.07085	1.3
57.47363	0.5
59.05011	5.9
60.46756	0.5
60.76157	0.5
65.03950	2.0
67.05511	100.0
68.05854	0.8
69.07075	2.4
69.33509	3.7
70.09039	0.4
71.05000	3.7
79.05505	2.0
81.07062	13.4
83.08621	6.0
85.06555	2.9
91.05489	6.8
93.07066	3.6
95.04997	0.6
95.08622	5.4
99.08115	0.8
105.07030	1.9
107.08583	2.5
109.10168	84.0
110.10503	1.5
111.08102	2.5
112.16502	0.5
119.08603	4.9
129.07047	0.6
131.08582	1.0
133.10182	0.6
134.70248	0.6
137.09618	3.5
145.10091	1.0
155.10675	6.3
159.11662	1.4
173.11763	19.1
229.08675	0.7
229.12457	0.8
229.14325	20.5
229.19423	3.6
229.23433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11557	0.8
55.01868	1.9
55.05514	0.9
56.96563	1.9
57.03443	2.5
58.06599	7.3
58.99855	1.7
59.07381	1.1
60.08164	8.3
61.02930	2.7
63.87474	0.5
67.05527	0.5
68.05033	1.5
68.98293	0.5
69.03426	3.2
69.57668	0.7
69.58074	2.2
70.06596	41.4
70.99857	4.0
71.05001	0.8
72.08147	1.5
73.02924	2.9
77.00911	1.2
79.05505	0.6
81.03420	3.1
82.99844	7.6
83.05026	0.6
84.04526	1.0
84.96092	0.6
85.01408	2.4
85.02906	4.5
86.99317	0.8
87.04485	0.7
89.00904	1.0
91.03950	0.9
92.02608	0.6
95.04993	1.3
96.08139	2.6
97.01400	0.7
97.02901	6.1
98.06055	0.9
98.97570	2.6
99.04465	1.1
100.02540	0.8
101.00887	64.4
102.00967	2.4
103.00663	2.7
103.02464	4.2
108.97824	0.6
109.01388	0.8
109.02885	1.2
110.97557	0.6
113.00871	5.6
114.05525	4.4
114.09193	1.9
114.18590	0.6
115.02428	5.3
116.07099	1.3
116.98651	0.8
119.01926	100.0
120.01975	3.1
121.01665	2.6
121.03442	1.2
123.04448	0.9
124.07581	3.4
125.02415	0.8
126.09204	1.2
126.98786	5.6
127.02422	4.4
127.03925	2.3
128.02312	0.7
128.98625	0.8
129.00391	1.0
129.02135	0.6
129.03983	1.7
131.01913	12.4
133.01724	1.2
133.03470	18.5
134.03598	1.1
135.03127	1.1
135.04320	0.9
136.93089	0.6
137.02003	0.5
137.02962	13.6
139.02528	1.1
139.04210	3.9
141.03932	0.6
142.03587	1.6
142.08641	36.8
143.01924	4.9
143.03731	0.6
144.01990	0.8
144.99826	7.9
145.01633	1.6
145.03484	14.5
145.99940	0.9
147.01375	1.2
147.03168	1.3
147.05861	1.2
147.55867	1.0
148.04741	4.2
148.05721	0.8
149.02957	2.8
151.04623	3.4
153.04115	0.7
154.94160	0.7
155.01895	2.1
156.02078	0.6
156.97522	0.6
157.01620	1.0
157.03497	5.3
159.01350	1.6
159.03233	1.1
159.05093	0.8
161.02979	8.3
162.03114	0.6
163.02660	1.1
163.03955	4.2
168.99834	16.5
169.01382	1.2
169.01990	0.8
169.03491	6.5
170.08144	1.6
171.05049	1.7
172.95256	0.7
172.99316	3.2
173.02954	4.8
173.06641	0.8
173.99417	0.8
175.02911	1.1
175.04509	6.2
176.04784	0.8
177.02443	1.8
181.03419	1.0
183.05026	1.8
183.07645	1.1
183.11340	1.1
184.04588	1.7
185.02922	1.9
185.06628	2.0
187.00912	28.5
187.02681	2.6
187.04466	9.5
187.06059	0.9
188.01010	0.8
189.04185	0.7
191.00404	0.7
191.04018	1.4
196.99321	5.6
197.01067	2.5
197.02841	0.9
199.04654	0.6
201.02463	1.9
201.04308	1.0
201.06160	1.5
202.05595	0.7
203.04022	2.0
205.00267	0.6
205.02000	5.5
205.03775	1.1
205.05615	1.6
211.04434	1.1
215.00378	20.7
215.02054	0.9
215.03958	1.9
216.00485	0.7
217.03719	0.7
217.05556	0.7
219.03563	0.9
221.05029	0.9
229.01785	1.3
229.03593	2.0
229.05598	5.1
229.15483	99.5
230.15796	1.7
233.01382	2.3
233.05101	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	1,1-Bis(4-hydroxyphenyl)propane
Peak:m/z	Relative Intensity
53.03942	5.3
54.36187	1.1
55.01866	1.8
55.05500	1.3
57.03422	1.5
65.03920	1.2
67.05515	6.7
69.03433	24.1
70.06591	1.3
71.49275	2.0
79.05497	2.7
81.03389	1.0
81.07058	2.1
82.11191	1.1
83.04984	4.7
91.05486	8.2
93.03401	2.8
93.07048	6.2
95.04988	2.1
105.07065	6.9
107.04953	1.5
109.02881	19.8
109.06518	1.6
109.10151	2.8
115.05479	1.6
116.06208	1.0
117.06995	4.0
119.08588	9.7
121.06515	8.2
121.10163	1.8
128.06233	3.0
129.07025	5.2
130.07773	1.3
131.08577	16.4
133.10129	11.9
135.04387	1.3
135.08044	1.7
141.06985	3.5
142.07735	2.4
143.08566	14.4
144.09360	5.6
145.06497	4.5
145.10129	11.7
153.07007	4.0
155.08530	6.9
156.09334	2.3
157.10139	4.0
158.07294	2.8
158.10915	19.2
159.08086	11.5
159.11696	10.5
159.51381	1.1
161.09671	1.2
167.08752	1.0
168.09354	3.8
169.07678	1.1
169.10115	2.8
170.10957	7.1
171.08075	6.8
171.11717	1.2
172.08844	10.0
173.09637	43.8
173.13263	42.7
175.07507	1.1
181.06496	2.6
181.10080	1.3
183.08075	1.2
183.11699	10.2
185.09648	2.3
185.13264	2.7
186.10413	23.4
187.07692	1.9
187.11191	70.7
188.11504	1.5
193.10048	2.2
196.08809	7.2
199.07549	2.3
201.09154	2.6
201.12752	59.8
211.07634	2.1
211.11198	12.3
214.09937	4.0
229.04938	3.7
229.08615	3.8
229.12248	100.0
230.12637	1.8
240.16643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Mansonone C
Peak:m/z	Relative Intensity
53.03940	4.6
55.01869	1.0
55.05504	2.3
65.03937	0.9
66.35692	0.6
67.05490	2.9
69.03430	24.9
69.76337	2.5
69.76752	1.6
79.05478	2.7
81.07053	1.8
82.00526	0.8
83.04988	3.6
83.18145	0.6
91.05486	7.1
93.03402	1.9
93.07051	6.6
95.04973	1.9
105.07031	7.6
107.08611	1.0
109.02883	18.9
109.06511	2.2
109.10168	1.6
115.05457	1.6
117.07040	4.2
119.08577	9.8
121.06515	10.1
121.10135	1.0
128.06209	3.1
129.06999	5.7
130.07777	0.9
131.08572	15.6
133.10138	10.2
135.08115	1.4
141.06990	2.9
142.07764	3.3
143.08566	16.9
144.09346	6.6
145.06517	5.1
145.10135	11.7
147.08052	1.5
151.03949	0.8
153.07002	3.9
154.07791	1.0
155.08545	6.7
156.09348	1.6
157.06493	1.1
157.10120	3.0
158.07285	2.8
158.10919	19.4
159.08047	9.0
159.11690	11.4
160.08733	0.8
161.09557	0.9
167.08647	1.4
168.09335	5.9
169.10138	2.4
170.10928	8.2
171.08046	8.6
171.11679	2.0
172.08815	9.2
173.06172	0.9
173.09631	44.1
173.13255	47.8
175.07539	1.6
178.07808	0.9
181.06490	2.4
181.10103	1.1
183.11714	9.4
185.05928	1.8
185.09641	2.5
185.13254	2.8
186.10397	27.6
187.07573	3.0
187.11183	72.4
188.08438	0.8
188.11513	1.0
189.09146	1.4
193.10161	1.6
195.08063	1.1
196.08841	8.3
199.03842	0.9
199.07552	2.8
201.08995	2.3
201.12749	61.7
202.13118	1.1
211.11186	14.1
211.14520	0.7
214.06461	3.3
214.09863	6.9
229.08566	4.7
229.12238	100.0
230.12514	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47407	0.5
53.03933	1.7
55.01854	0.6
64.79097	0.6
67.05502	2.6
69.03426	1.8
70.06595	1.0
71.48130	0.9
78.04705	3.0
79.05481	2.3
81.03426	1.3
81.07052	1.0
86.09657	0.6
91.05486	4.7
93.07031	2.1
95.04975	12.4
95.08619	0.9
97.02922	0.8
101.11602	1.0
103.05469	1.7
105.07006	1.8
106.04189	1.7
107.04963	2.1
109.06506	0.9
109.10152	0.7
111.04445	0.6
115.05482	0.6
119.04230	0.5
119.04952	3.5
119.08613	0.7
121.06517	1.9
123.00832	0.6
123.04434	12.8
124.05199	2.2
126.61505	0.6
132.95847	0.6
133.02835	0.7
133.06468	1.0
134.03629	0.7
135.04385	1.2
137.05974	1.7
140.04701	1.0
140.07053	0.6
144.52361	0.7
147.04404	1.4
149.05972	2.7
151.03912	32.6
152.04651	1.9
155.08543	1.0
161.05983	0.9
165.05624	0.6
165.06967	1.5
165.09230	0.7
167.07047	100.0
168.07382	2.7
173.05989	0.9
181.08620	2.6
183.08018	1.4
193.05011	1.6
193.08603	2.4
211.05989	0.7
211.09540	1.1
229.04999	1.7
229.08563	2.8
229.12642	1.1
229.15739	0.8
229.17900	0.7
229.23721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	2-Hydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
55.01876	6.7
55.05509	2.3
57.03444	4.1
57.07067	1.1
59.04987	0.9
65.03936	1.1
67.05510	22.0
69.03442	0.9
69.07065	1.2
70.06590	0.7
70.83366	0.7
70.83680	0.9
71.04982	1.1
72.59602	0.5
79.05481	2.1
81.03391	1.1
81.07070	4.3
83.04996	0.7
83.08618	2.6
85.06538	0.9
91.05487	39.8
93.07033	1.6
95.04965	0.9
95.08615	3.6
96.22749	0.5
103.05425	0.9
105.03424	6.1
105.07052	3.2
107.04965	0.6
107.08572	1.8
107.35996	0.6
109.10159	16.5
111.08084	1.1
115.05447	1.3
117.07034	1.9
119.08611	4.1
121.10154	2.0
123.11726	0.7
129.07008	3.1
131.04958	0.7
131.08557	3.4
133.02863	2.8
133.10138	2.0
135.11646	1.0
137.09628	1.3
141.07010	3.1
143.08574	0.9
145.06461	1.0
145.10124	4.3
147.11639	1.6
151.02763	1.2
151.03917	19.4
153.06970	4.7
154.07764	2.5
155.04985	0.9
155.08572	4.4
155.10559	1.0
157.10114	0.9
158.10965	0.8
159.08043	0.8
159.11693	3.5
160.94330	0.6
161.13327	0.6
165.07008	8.8
168.05746	1.0
169.10132	1.1
171.11748	0.9
173.05936	0.9
173.09644	1.4
173.11743	4.2
173.13268	3.1
178.82742	0.6
183.08057	1.1
183.11673	1.4
187.11241	0.7
187.14838	1.6
201.05464	0.7
201.09015	1.1
201.12706	1.0
201.16382	1.2
211.07553	100.0
212.07884	2.2
229.05157	2.8
229.08620	10.4
229.12202	2.1
229.14299	3.6
229.16286	3.9
229.19478	10.3
229.23289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0862
Annotation	2-Hydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
50.21732	0.5
53.03958	0.6
55.01675	0.6
55.01880	6.1
55.05509	1.9
57.03426	2.0
57.07072	0.6
57.37734	0.5
58.04300	0.5
59.05008	0.8
65.03931	1.2
67.05510	6.7
69.03421	1.6
69.27215	4.9
71.05012	0.7
79.05502	0.9
81.03409	0.9
81.07058	2.8
83.04992	0.7
83.08600	0.9
85.02897	0.9
91.05489	31.0
92.05842	0.6
93.07041	0.8
95.08598	2.1
97.02904	2.0
101.01644	0.6
105.03404	6.6
105.07034	2.2
109.02886	0.7
109.10165	6.3
111.08094	0.7
115.05464	2.0
117.07006	1.3
119.08595	1.7
128.06210	0.6
129.07008	1.9
131.08554	1.9
133.02852	2.0
133.10152	1.5
141.06995	2.9
142.34283	0.6
143.08627	1.5
145.06549	1.3
145.10162	2.4
151.03922	16.2
153.07001	4.0
154.07809	1.7
155.04860	0.8
155.08574	4.6
155.45366	0.6
157.10179	1.0
159.08055	1.2
159.11684	2.5
165.07022	7.4
168.05708	1.0
168.09294	0.6
168.92487	0.6
169.06468	1.0
169.10085	1.4
171.11769	0.7
173.05998	1.4
173.09674	0.8
173.11833	0.9
173.13231	1.1
183.08037	1.1
183.11725	1.3
187.11230	1.0
187.14853	1.2
201.05496	1.2
201.16382	1.2
211.07564	100.0
212.07928	1.9
229.04959	2.5
229.08627	12.0
229.12192	3.1
229.16103	3.6
229.19559	2.3
229.23767	0.7
234.32529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87704	1.6
67.05506	4.1
71.03944	2.9
74.31992	2.0
91.05492	3.3
92.76389	1.7
95.04969	35.9
100.33881	1.6
103.07898	1.7
105.11383	1.8
119.04939	4.7
123.00789	3.0
123.04437	11.1
147.04414	5.4
151.03914	100.0
193.05009	3.6
220.54945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21732	0.5
53.03958	0.6
55.01675	0.6
55.01880	6.1
55.05509	1.9
57.03426	2.0
57.07072	0.6
57.37734	0.5
58.04300	0.5
59.05008	0.8
65.03931	1.2
67.05510	6.7
69.03421	1.6
69.27215	4.9
71.05012	0.7
79.05502	0.9
81.03409	0.9
81.07058	2.8
83.04992	0.7
83.08600	0.9
85.02897	0.9
91.05489	31.0
92.05842	0.6
93.07041	0.8
95.08598	2.1
97.02904	2.0
101.01644	0.6
105.03404	6.6
105.07034	2.2
109.02886	0.7
109.10165	6.3
111.08094	0.7
115.05464	2.0
117.07006	1.3
119.08595	1.7
128.06210	0.6
129.07008	1.9
131.08554	1.9
133.02852	2.0
133.10152	1.5
141.06995	2.9
142.34283	0.6
143.08627	1.5
145.06549	1.3
145.10162	2.4
151.03922	16.2
153.07001	4.0
154.07809	1.7
155.04860	0.8
155.08574	4.6
155.45366	0.6
157.10179	1.0
159.08055	1.2
159.11684	2.5
165.07022	7.4
168.05708	1.0
168.09294	0.6
168.92487	0.6
169.06468	1.0
169.10085	1.4
171.11769	0.7
173.05998	1.4
173.09674	0.8
173.11833	0.9
173.13231	1.1
183.08037	1.1
183.11725	1.3
187.11230	1.0
187.14853	1.2
201.05496	1.2
201.16382	1.2
211.07564	100.0
212.07928	1.9
229.04959	2.5
229.08627	12.0
229.12192	3.1
229.16103	3.6
229.19559	2.3
229.23767	0.7
234.32529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62191	3.1
67.05505	3.7
71.01118	6.6
79.05527	2.6
85.62166	2.6
91.05533	4.4
95.04981	39.0
112.57514	2.4
116.52724	2.3
119.04943	2.5
123.04475	15.9
147.04486	3.8
151.03918	100.0
175.03944	3.5
192.26463	2.7
193.05072	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.50637	1.6
55.01867	3.3
55.05513	8.4
57.03426	5.1
57.07072	2.7
59.04991	3.0
65.03947	3.6
67.05503	6.6
69.03424	4.7
69.07071	11.5
71.04999	20.0
71.49053	1.9
73.02938	8.4
73.06550	1.7
75.04478	2.0
79.05489	11.0
81.07054	16.0
82.04215	1.8
83.04971	4.6
83.08622	5.2
85.06536	8.3
91.05484	11.0
93.07042	12.9
95.04972	100.0
95.08625	9.3
97.06533	16.8
97.10172	5.2
99.04469	12.8
99.08095	24.0
100.11272	9.8
103.05469	3.8
105.07024	5.9
107.04957	4.7
107.08596	19.0
109.02888	2.8
109.06526	14.6
109.10151	5.7
111.04379	1.5
111.08076	6.9
115.05423	2.1
115.07552	4.4
117.07006	2.1
119.08576	5.7
121.02965	2.1
121.06532	8.7
121.10147	15.9
123.04434	4.5
123.08009	2.1
123.11713	4.3
125.02371	2.4
125.06007	2.3
125.09610	11.4
127.07549	7.2
131.04938	3.2
131.08553	4.4
133.10126	21.8
134.03659	1.5
135.04370	2.3
135.08061	4.4
135.11711	3.4
137.05942	2.3
137.09537	2.4
139.07524	2.0
139.11201	10.4
140.04712	9.8
143.10660	4.6
145.10144	3.1
147.11719	4.8
148.05225	2.0
149.05980	7.2
149.09630	5.2
149.13268	6.6
151.03929	4.1
151.11159	4.0
153.05592	1.6
153.07182	1.5
153.09114	30.6
155.07045	10.0
155.18008	1.5
163.11159	1.7
163.14861	4.6
165.05499	3.1
165.12727	1.7
167.03366	2.5
167.07025	18.6
167.10704	1.5
171.10164	12.1
173.13306	9.7
177.05476	8.1
181.05000	16.6
191.10710	1.8
191.14268	7.2
195.06532	5.0
209.08105	11.1
209.11664	1.5
209.15312	19.8
213.23743	1.4
227.07007	3.1
227.09050	3.3
227.14204	2.0
227.16389	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.00044	0.9
53.03947	2.6
55.01870	3.8
55.05517	7.6
57.03437	2.2
58.04207	0.8
65.03951	0.9
67.05515	9.4
67.38992	0.9
69.07076	5.3
71.05001	1.5
71.09021	1.9
73.02921	1.8
78.04716	3.9
79.05504	13.9
81.03410	1.4
81.07071	8.2
83.08621	4.1
83.93736	0.9
85.06570	1.5
90.66301	0.9
91.05495	9.5
93.03453	1.2
93.07060	19.5
94.04197	1.1
95.04987	5.1
95.08623	16.9
97.02880	1.4
97.06525	1.4
99.04462	2.3
100.11261	3.7
103.05492	7.5
103.99631	1.0
105.07053	5.3
106.04188	2.3
107.04977	7.0
107.08611	11.6
109.06557	1.8
117.03360	1.9
117.07034	3.4
119.04942	1.9
119.08588	4.9
121.06522	15.9
121.10146	5.7
121.76051	1.0
122.03656	1.6
123.04448	9.3
124.05236	2.9
125.05993	1.3
128.06242	1.1
129.06995	1.4
130.07806	0.9
131.04942	5.7
131.08627	1.0
133.02855	1.9
133.10176	1.5
134.03674	1.6
135.11703	19.8
137.05995	10.6
139.07622	1.0
140.04710	2.1
143.08517	2.2
145.10161	11.4
147.73895	1.0
148.05211	2.9
149.06000	13.7
151.03912	2.3
152.04631	2.3
153.06978	1.3
155.07121	1.4
157.10133	2.0
159.04431	3.9
163.03902	1.9
163.11198	27.8
165.05492	2.5
167.07057	100.0
168.07384	2.1
171.11696	1.2
177.05501	24.6
181.05032	1.5
181.08699	1.0
181.12274	5.1
191.07063	1.1
209.08110	7.5
209.11746	1.4
227.07042	3.1
227.09090	1.7
227.10689	1.3
227.12755	26.6
227.17917	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	227.1279
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
50.96794	1.0
53.03943	2.4
53.90274	1.1
55.01873	32.8
55.05512	3.7
56.26741	1.1
57.03429	1.9
57.07064	3.5
59.04998	2.6
65.03955	2.1
67.05505	15.3
69.03426	4.6
69.07071	17.7
71.04992	11.9
73.02926	2.1
79.05498	14.9
81.03416	1.9
81.07055	15.4
83.04982	4.5
83.08604	3.2
85.06084	1.5
85.06548	18.2
85.53572	1.2
91.05488	7.8
93.07047	21.8
95.04972	41.3
95.08614	27.0
97.02910	1.8
97.06539	21.5
98.97584	1.4
99.04466	11.3
99.08109	4.6
100.11257	4.3
103.05456	4.2
104.55937	1.2
105.04512	1.3
105.07027	14.7
107.04953	9.0
107.08598	38.5
109.02859	5.4
109.06528	15.3
109.10147	4.4
111.04413	2.0
111.08086	4.0
113.06015	5.2
115.07602	1.6
117.07010	1.5
119.08583	4.6
121.06518	11.0
121.10151	15.2
123.04443	4.7
123.08081	16.3
123.11674	3.0
125.02367	4.9
125.06025	2.4
125.09632	2.7
127.07574	3.9
128.71870	1.0
131.04933	1.8
131.08575	3.6
133.06499	1.9
133.10127	11.1
135.08072	3.2
135.11681	7.6
137.05984	2.8
137.09570	1.1
139.03896	3.2
139.11194	6.0
140.04695	2.4
143.08543	1.9
144.08076	3.2
145.10112	7.5
147.11684	3.1
149.06006	5.2
149.09627	4.4
149.13293	3.7
151.03903	19.0
151.05014	2.1
151.07544	13.5
151.11224	2.8
153.09119	7.5
155.07031	2.2
159.04443	2.5
163.11186	18.8
163.14859	1.6
165.05470	14.4
167.07068	15.6
167.10670	6.7
168.82666	1.2
169.08609	100.0
171.10126	2.8
173.09651	1.7
173.13258	5.6
177.05527	8.1
181.04967	3.6
181.06477	1.9
181.12213	9.3
189.52577	1.1
191.10722	4.8
191.14270	4.5
195.06590	2.0
195.08253	1.3
209.08057	3.9
209.11748	3.1
209.15419	4.4
227.06952	2.7
227.10828	2.3
227.12724	5.9
227.16405	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01873	1.5
55.05511	1.1
56.03012	0.6
58.58598	0.5
65.03960	0.7
66.04742	0.5
73.02912	3.6
77.03918	0.8
78.04706	3.4
79.05496	3.2
81.03416	1.0
81.07071	1.3
85.02918	0.7
89.03912	1.5
91.05488	7.4
93.07047	4.3
95.04968	3.9
98.21511	1.5
100.11256	2.5
103.05471	8.0
105.03390	1.1
105.04528	1.1
105.07052	1.2
106.04189	3.3
107.04950	4.2
109.06528	0.9
116.16520	0.5
117.03401	1.4
119.04881	1.1
121.06511	16.0
122.03618	1.5
123.04443	8.7
124.05241	2.7
125.02359	0.6
131.04935	6.8
133.02850	1.5
134.03648	2.5
135.04413	1.2
137.06006	10.5
140.04695	6.2
145.02843	1.7
147.04443	1.5
148.05185	2.1
149.06001	15.3
151.03949	2.4
152.04709	2.3
153.05547	0.5
153.07172	0.5
155.07031	7.2
159.04442	3.6
163.03963	1.4
165.05489	1.1
167.07048	100.0
168.07381	1.6
176.04695	0.9
177.05482	26.7
180.07861	0.6
181.04965	7.9
181.08540	1.1
191.07114	1.2
194.05751	1.2
195.06551	1.1
198.27650	0.5
209.08099	8.7
209.16661	0.8
216.91310	0.5
227.07077	0.6
227.09149	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	226.253
Annotation	(2R-trans)-2-Butyl-5-heptyl-pyrrolidine
Peak:m/z	Relative Intensity
55.05514	15.7
57.07075	3.5
63.74356	0.3
67.05496	1.3
69.07071	24.2
69.74379	0.6
69.74791	1.7
71.04986	1.1
71.08634	1.8
79.05453	0.7
81.07042	1.1
83.08621	13.6
85.10200	0.8
85.65456	0.3
86.09711	9.4
93.07048	0.4
95.08592	0.6
97.10173	6.7
98.12905	0.4
98.21497	0.5
100.11285	1.9
107.05000	0.5
111.11708	1.8
120.05585	0.4
128.13515	0.6
128.14369	6.0
142.15935	1.0
143.15144	0.4
147.76187	0.3
180.33516	0.4
196.32666	0.4
209.69832	0.4
226.09805	0.6
226.25299	100.0
227.25624	2.3
229.26656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.21048	1.4
54.77277	1.5
54.83208	1.4
55.01868	5.0
55.05512	3.3
56.96568	12.7
57.03437	9.9
58.99872	5.4
61.02922	14.1
64.50320	1.4
67.05495	2.8
68.98277	7.1
69.03438	19.9
69.40740	4.6
69.41165	6.7
70.06572	2.2
70.99863	4.2
71.04989	3.8
72.87126	1.4
73.02918	9.7
77.00907	2.1
79.05471	3.6
81.03419	17.5
82.01441	3.2
82.99829	8.2
83.04989	4.4
84.04502	1.6
84.08157	10.8
85.01403	3.7
85.02913	18.4
86.99338	4.6
87.04449	1.8
89.00887	2.0
89.03918	5.9
95.03468	2.3
95.04957	3.8
97.01389	4.1
97.02897	27.1
98.97585	9.2
99.04458	4.9
100.00129	1.7
100.02528	2.1
101.00884	67.8
102.00986	6.2
103.00628	5.7
103.02440	6.4
105.00351	4.0
107.03426	2.3
107.04943	5.1
108.04208	1.6
109.02872	18.7
110.01296	2.2
110.97572	2.7
111.02941	3.7
113.00854	12.8
113.02367	6.7
114.01006	2.8
114.04121	1.6
115.00645	2.2
115.02436	11.6
116.02538	1.9
116.07044	1.6
116.98634	2.1
117.02174	2.0
117.03370	5.3
117.04080	2.7
119.01925	100.0
120.02003	7.2
121.01664	7.5
121.03513	1.6
121.06467	1.9
123.04427	3.8
124.99151	3.2
125.00876	2.7
126.98783	3.3
127.02419	15.1
127.03892	8.1
128.02385	5.0
128.98605	2.5
129.02196	2.1
129.03949	7.0
130.03996	2.6
131.01900	24.6
132.02020	6.6
133.01643	2.7
133.03438	13.9
133.04280	2.1
134.03603	1.5
135.02989	1.9
135.04329	8.2
137.00873	2.2
137.02933	12.5
137.04358	2.2
139.02420	11.8
139.03993	1.7
140.05023	5.3
141.03957	5.2
142.01100	1.9
143.00131	4.1
143.01898	29.5
143.03632	1.9
144.02049	6.1
144.03200	1.8
144.99818	5.7
145.01613	3.0
145.03513	44.4
146.03561	6.6
146.04987	14.2
146.99620	1.7
147.01363	4.8
147.03191	4.6
147.05043	13.0
148.05086	2.1
149.02946	4.0
153.00330	2.3
153.04022	2.8
155.01865	12.8
155.05487	9.1
156.02122	6.6
156.03441	2.1
157.03484	33.9
157.05112	2.4
158.03592	2.9
158.99670	2.1
159.01349	2.3
159.05019	7.9
161.01079	2.9
161.02954	24.4
162.03061	7.5
163.02625	3.5
163.03853	42.8
164.04294	5.3
167.01880	15.6
167.07027	6.7
169.03505	22.8
170.99841	2.6
171.01382	22.0
171.02875	2.5
171.03685	1.5
171.05051	9.2
172.99312	6.4
173.02971	27.6
173.06754	1.7
174.03102	12.5
175.02867	1.9
175.04544	7.6
177.00853	1.6
177.02483	5.3
177.04033	2.6
177.05565	2.8
179.01970	2.7
181.03479	15.0
181.04987	2.2
181.06895	1.7
183.05026	2.8
183.06853	2.2
185.02957	80.1
186.02945	7.6
187.00914	2.9
187.02887	2.4
187.04509	24.8
189.00749	2.4
189.02461	9.4
189.06099	3.2
191.04002	5.4
196.00920	6.4
197.02937	20.8
197.04521	2.7
199.04529	14.9
201.02606	1.8
201.06088	3.4
203.02390	2.1
203.04039	30.0
203.05803	3.2
204.04219	9.8
205.01918	2.6
205.03712	1.7
205.05516	2.1
206.52501	1.9
209.02982	8.9
213.00568	3.1
213.02495	5.7
213.06110	2.0
215.04037	17.9
217.03751	3.5
217.05646	3.6
221.01649	3.6
221.05089	6.5
222.05164	15.3
223.04817	2.8
227.01981	2.2
227.03990	32.6
227.05806	1.7
227.11079	15.3
227.13895	2.9
228.03635	2.5
231.01660	8.3
231.03702	3.1
233.05051	4.1
235.04861	8.2
237.02780	1.7
245.05006	17.2
245.06686	1.7
249.02777	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.02397	1.5
53.03935	3.4
55.01864	3.5
55.05511	17.3
55.82060	1.4
57.03429	5.6
57.07071	3.4
59.05001	1.3
65.03918	2.3
66.82274	1.2
67.05511	13.2
69.03431	12.5
69.07072	8.3
71.04988	10.9
71.48872	2.4
77.03899	1.3
79.05492	11.8
81.03430	1.6
81.07059	20.9
82.06597	2.8
83.04970	8.3
83.08619	3.9
85.02906	3.3
85.06532	4.0
91.05483	14.4
93.07047	11.8
94.04209	1.4
95.04971	11.3
95.08599	22.8
97.02907	2.1
97.06516	5.0
98.97578	3.4
99.04459	18.2
105.03382	4.0
105.07037	14.9
106.07378	1.4
107.04947	7.1
107.08597	23.3
109.06517	19.8
109.10146	14.7
111.04418	2.7
111.08096	2.2
113.06007	1.7
119.04942	3.2
119.08582	24.4
121.06511	11.6
121.10152	13.6
123.04393	6.9
123.08071	20.1
123.11705	6.2
125.05981	7.2
125.09631	3.3
127.07526	2.9
130.06557	1.4
131.08546	3.6
133.06541	2.4
133.10138	14.9
135.04431	1.7
135.08058	31.4
135.11703	4.0
135.90572	1.4
137.05980	9.2
137.09625	10.8
137.13199	3.2
139.07549	3.5
140.54243	1.7
144.08101	1.7
145.10121	2.9
147.04425	3.0
147.08031	15.3
147.11685	10.4
149.09660	9.8
149.13344	1.8
151.03911	2.2
151.07547	7.7
151.11201	8.9
151.14769	1.7
153.05486	2.7
153.07024	1.5
153.09114	10.6
156.09282	1.8
158.99654	1.6
161.09634	1.6
161.13275	12.1
163.03873	2.3
163.11157	7.5
165.01854	2.3
165.05479	7.2
165.06856	2.4
165.09119	13.6
165.12775	14.7
167.07033	12.9
167.10655	4.6
169.10175	1.6
171.11673	3.4
175.03946	1.9
177.12738	28.5
178.65762	1.4
179.03381	2.6
179.07079	2.5
179.14311	13.2
180.04166	5.9
181.05002	2.8
183.13823	5.7
189.12741	28.6
193.05066	2.8
194.02875	1.4
195.06401	1.7
197.04317	1.8
207.06532	4.8
207.13806	100.0
210.06729	2.6
225.07281	2.4
225.09116	4.6
225.14970	19.0
247.78166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
55.05515	3.2
56.96572	10.5
57.03436	10.6
58.99862	7.0
61.02927	20.3
67.05505	3.0
67.47021	1.7
68.54479	2.0
68.98289	8.1
69.03429	13.6
69.07069	3.0
69.96654	5.4
69.97061	3.7
70.99850	5.4
71.01361	2.2
71.05000	3.3
73.02918	10.8
77.00909	3.7
79.05487	3.9
81.03410	7.3
81.99039	2.4
82.01458	3.6
82.99837	11.8
83.04996	5.0
84.08140	2.0
84.96042	1.7
85.01416	3.9
85.02904	14.7
86.99325	7.0
87.04445	2.2
89.00906	5.4
89.03905	9.3
95.04967	2.6
97.01403	10.4
97.02862	11.7
98.97580	5.5
99.00857	1.8
99.04438	5.9
100.00098	3.8
100.02508	7.0
101.00198	4.1
101.00881	75.3
102.00967	5.8
103.00639	7.2
103.02426	5.4
105.00359	3.3
107.04899	2.3
109.02905	4.2
110.97526	2.9
111.02908	2.2
113.00871	29.8
113.02386	6.7
115.02435	21.3
117.03382	6.5
118.03564	2.4
118.06545	4.6
119.01926	71.2
120.01977	9.6
120.03463	3.1
120.08145	14.1
121.01661	6.7
125.00868	5.3
127.02432	22.6
127.03927	11.5
128.02403	3.1
129.00359	2.7
129.03960	13.2
131.01904	46.9
132.01967	2.2
133.01689	2.4
133.03426	14.0
134.06024	2.3
134.09764	2.2
135.03085	1.5
135.03468	1.9
135.04373	12.9
136.07600	5.1
137.00850	5.8
137.02882	4.7
139.02406	10.8
141.02263	2.2
141.03996	2.8
142.03532	7.3
143.01901	46.6
143.03581	4.2
144.03368	4.3
144.05070	2.0
145.03511	58.1
146.03447	1.7
146.04997	1.9
147.01399	8.7
147.05028	7.0
149.02943	3.9
150.05484	1.9
150.09172	2.4
152.07109	10.9
152.10666	3.6
153.02576	2.0
153.03961	4.9
155.00648	3.7
155.01891	59.0
156.02597	5.8
157.01634	2.5
157.02180	2.9
157.03477	38.2
158.06624	3.2
159.01372	3.4
159.04999	3.6
160.06558	2.0
161.02962	46.3
162.03076	2.5
163.03868	64.4
164.04251	4.7
164.07085	9.7
164.10709	16.6
166.03578	5.6
167.01903	10.7
167.07111	2.0
168.05069	6.2
169.03471	11.7
171.01402	7.1
171.05055	5.1
173.02968	69.7
174.03174	3.7
174.04565	2.8
175.04659	8.6
177.02406	3.4
178.01006	4.6
178.03493	5.7
180.10205	4.4
181.03435	2.4
182.08211	10.5
184.04565	7.4
185.02948	56.8
186.06123	2.3
187.04529	8.7
188.04689	2.4
188.97054	3.7
189.02341	4.6
191.04012	4.8
194.08104	5.4
196.04500	18.1
196.09679	5.4
197.02988	7.4
198.06273	2.8
199.00816	2.5
199.04504	3.1
200.07866	2.6
203.02301	4.9
203.04010	79.7
205.04471	5.3
208.09737	15.1
212.04085	4.4
212.08191	2.4
215.00378	3.4
215.04088	14.9
216.04399	2.5
219.03615	2.6
220.02153	5.3
221.03015	9.4
221.05052	85.9
222.05237	3.0
226.05734	14.6
226.10756	100.0
226.14348	5.1
227.03976	7.0
233.05063	32.8
234.05260	6.0
239.06169	6.3
244.02217	2.6
244.06717	19.7
245.05081	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01873	2.7
55.05511	11.3
57.03441	2.2
57.07069	3.9
61.02920	2.4
66.99757	1.8
67.05486	6.6
68.19566	1.7
69.03425	4.7
69.07057	7.8
70.62647	4.7
71.04990	46.6
79.05495	12.0
81.03389	4.1
81.07054	16.0
83.04972	6.2
83.08611	7.8
85.02910	5.5
85.06540	4.5
91.05459	11.1
93.07035	10.2
95.04963	8.4
95.08599	13.4
97.06532	8.9
99.04454	100.0
99.08063	3.0
105.03399	3.9
105.07053	15.8
107.04945	4.6
107.08591	39.4
109.06522	27.9
109.10146	5.1
111.08069	2.1
111.53168	2.0
113.09646	3.4
119.04911	3.4
119.08578	16.4
120.78871	2.1
121.06479	3.6
121.10144	32.7
123.04456	3.0
123.08067	23.4
123.11723	21.0
125.06017	2.9
125.09606	8.7
127.07594	2.4
131.08540	5.4
133.10152	4.9
135.08060	3.8
135.11646	3.4
137.05966	5.7
137.09610	7.4
137.13251	2.4
139.11168	4.8
144.07964	2.2
145.10120	4.9
147.11702	11.9
149.09619	16.7
151.03952	2.4
151.07544	4.3
156.09305	2.1
161.13254	7.4
163.11122	3.6
165.05508	10.7
165.06801	2.1
165.12756	11.8
167.06979	2.6
167.10675	22.7
171.11668	3.4
177.12668	2.3
179.14317	4.5
180.04163	4.7
183.13814	29.8
189.12704	9.2
191.51054	1.7
193.04965	2.5
207.06441	3.7
207.13843	13.4
225.05618	3.0
225.10143	7.9
225.12770	3.0
225.14850	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03934	2.0
55.01866	3.5
55.05518	17.7
57.03436	5.0
57.07075	2.1
60.55807	2.0
65.03940	2.3
67.05508	12.2
69.03430	10.2
69.07075	10.8
70.74567	5.5
71.05000	9.8
78.40447	2.4
79.05492	10.5
81.07068	18.9
83.04988	7.0
83.08601	2.6
85.02897	4.3
85.06561	4.3
91.05484	16.5
93.07053	11.3
93.62730	1.9
95.04979	11.8
95.08601	18.9
98.97587	3.3
99.04459	16.8
99.06086	1.9
105.03423	4.8
105.07047	17.8
107.04958	7.8
107.08607	20.1
109.06519	18.9
109.10162	13.1
109.17034	1.9
110.29410	2.0
111.08034	2.1
111.54151	1.9
119.04935	3.0
119.08595	22.8
121.06536	9.4
121.10159	12.9
123.04420	6.6
123.08064	18.9
123.11698	4.8
125.05994	8.1
125.09635	2.8
133.06557	2.8
133.10173	14.4
135.08063	33.1
135.11662	3.3
137.06009	9.7
137.09633	9.8
137.13251	3.3
137.34529	2.1
139.07489	3.1
143.96202	2.1
147.04411	4.4
147.08064	12.8
147.11684	7.9
149.09633	8.1
151.07542	5.9
151.11185	7.1
151.14737	3.2
153.05453	2.9
153.09138	7.3
159.11642	2.1
161.09586	2.7
161.13280	11.6
163.03929	5.9
163.11209	6.2
165.01872	2.1
165.05502	7.8
165.09132	14.1
165.12759	13.0
167.07034	12.6
167.10669	3.3
171.11678	2.9
177.12755	28.0
179.03432	3.0
179.14357	13.2
180.04193	8.2
183.13832	3.6
189.12747	34.2
193.03276	2.0
193.05009	4.4
195.13904	2.2
207.06505	3.9
207.13808	100.0
208.14217	2.3
225.07481	4.8
225.14977	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.27292	3.2
53.40735	3.3
55.01869	8.7
55.05517	22.1
57.03421	11.3
57.07066	10.1
59.04988	8.5
67.05506	43.2
69.03444	7.0
69.07071	34.1
71.04976	5.5
71.49715	3.8
73.06537	3.5
79.05489	28.5
81.03408	14.1
81.07059	67.8
83.04984	13.7
83.08616	16.8
85.06543	5.7
87.04450	5.6
91.05473	25.0
93.07050	51.2
95.04974	100.0
95.08609	77.7
97.06519	9.7
97.10141	4.1
99.08094	7.4
103.05452	4.7
105.07036	64.9
105.07709	7.2
107.04912	11.1
107.08602	78.3
109.02898	3.4
109.06506	12.8
109.10154	31.1
111.04451	6.7
111.08088	10.0
116.06223	4.5
117.06996	15.7
119.08578	39.4
121.06446	17.3
121.10148	70.0
123.08050	16.6
123.11713	9.0
125.09560	5.4
130.07851	4.2
131.08578	34.3
133.10126	21.3
135.08028	18.4
135.11739	22.0
137.09694	4.0
143.08626	6.1
145.10144	65.8
147.11688	33.8
149.02354	23.5
149.09637	19.1
149.13248	23.7
150.09175	3.8
158.10902	7.7
159.11674	12.9
161.13248	15.1
163.03938	4.9
163.11188	26.1
163.14822	71.0
165.06956	5.6
166.07648	3.9
167.10699	4.1
173.13239	9.8
175.14848	6.1
177.05423	4.5
177.12726	5.3
177.16388	25.8
179.08563	8.7
180.09326	4.3
187.14821	45.6
193.10176	11.7
194.11057	4.1
195.11626	6.6
205.15881	60.5
208.12407	4.7
223.02434	8.5
223.06036	13.2
223.11154	7.1
223.13051	39.4
223.14880	11.9
223.16780	54.9
225.04362	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
69.58698	0.3
69.84552	0.2
69.92358	0.9
80.83403	0.3
108.00812	0.3
110.06036	0.6
118.06535	0.8
120.08112	46.6
121.08459	0.5
130.06517	0.3
146.09642	0.9
148.07623	0.3
151.03931	0.3
161.70277	0.3
164.10721	100.0
165.05505	1.0
165.11038	1.4
192.10201	2.8
224.12820	31.2
225.13226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23407	1.1
58.19923	1.1
70.97060	2.1
82.99867	5.6
86.10217	1.1
89.91139	0.9
93.75136	0.9
99.04475	1.8
101.00895	41.7
116.98857	2.1
119.01931	69.0
120.02038	2.1
124.02518	1.6
134.99910	4.0
137.02983	8.9
137.22090	1.0
140.98843	9.4
142.03505	7.5
145.48657	1.9
158.99904	27.7
160.00005	1.7
160.04546	1.2
161.02985	4.1
166.03526	1.0
175.03040	2.3
177.00967	100.0
178.01089	7.0
179.00925	1.0
179.04030	3.9
182.99889	3.1
183.05017	1.7
199.03035	1.6
201.00974	12.4
201.02547	3.7
202.00912	1.1
202.02637	2.2
202.05623	1.4
217.04111	13.0
219.02017	95.7
219.94527	3.5
220.02153	10.3
225.01007	4.0
234.00819	2.8
242.03563	1.3
243.01994	27.8
243.04308	1.5
244.02074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56181	0.1
53.03935	0.5
55.01879	1.1
55.05513	4.0
57.03429	0.2
65.03944	1.0
67.05502	5.9
69.03425	0.2
69.07069	3.1
69.13653	0.8
69.14084	0.8
71.04999	1.4
71.29144	0.2
73.06573	0.2
79.05496	5.2
81.03416	3.2
81.07057	8.5
83.04984	1.6
83.08616	1.5
85.02909	2.4
85.06520	0.4
91.05476	4.4
93.07041	3.9
95.04967	100.0
95.08600	5.0
95.09180	0.4
96.05284	0.8
97.06531	1.1
98.20757	0.4
99.08090	0.3
103.05489	0.3
105.07030	3.1
107.04974	0.9
107.08600	2.1
109.02905	0.2
109.06509	3.1
109.08905	0.2
109.10152	0.4
114.72948	0.2
117.07006	2.4
119.07754	0.1
119.08577	2.9
121.06512	2.6
121.10146	1.9
123.08070	2.5
125.05992	0.2
128.06259	0.2
129.07024	1.0
130.07761	0.3
131.08562	1.2
133.10120	0.6
135.08051	1.3
135.11699	2.1
141.07002	0.4
141.09158	0.4
143.08607	0.6
145.10130	5.3
147.08049	3.0
149.02376	0.4
149.13263	0.2
154.07721	0.3
159.11652	1.2
161.09621	1.0
163.11179	12.9
165.09097	0.2
169.10138	0.9
177.12708	1.2
177.16415	0.4
187.11165	1.5
205.12212	1.6
223.06097	0.2
223.13235	3.1
223.16757	0.3
225.38516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03932	1.5
55.01859	1.0
55.05511	5.8
57.03428	0.6
57.07060	0.5
57.80787	0.3
61.40923	0.3
63.64605	0.3
65.03928	0.8
66.04685	0.4
67.05507	5.6
69.03416	0.4
69.07063	5.2
71.04972	0.8
79.05495	4.1
79.97666	0.4
81.03419	10.0
81.07057	4.7
83.04986	1.6
83.08627	2.7
85.06541	0.6
87.04479	0.3
87.08075	0.5
91.05485	3.9
93.03393	0.4
93.07047	3.3
94.04188	4.2
95.04970	20.1
95.08583	2.4
97.02881	0.6
97.06499	0.7
98.98432	0.4
105.03400	0.4
105.07024	1.7
107.04957	4.7
107.08593	1.5
107.45872	0.4
109.06491	1.6
109.10130	0.5
111.04435	0.4
111.08072	0.6
117.07011	1.5
119.08577	1.6
121.06495	0.9
121.10120	1.1
123.08054	1.3
131.08569	1.2
133.10072	0.5
135.11667	0.8
137.09604	0.5
145.06500	0.9
145.10100	1.0
147.08031	0.7
149.02333	1.9
159.11693	0.6
163.03923	0.4
163.11172	1.8
164.08105	0.3
177.05507	0.5
177.12704	0.6
181.10115	0.5
187.11165	0.3
205.12218	1.3
208.12369	0.4
211.30472	0.3
219.69295	0.3
223.13280	100.0
224.11691	0.3
224.13628	2.4
225.04292	1.1
231.36653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01875	1.1
55.05312	0.4
55.05519	3.7
57.07065	0.6
59.04997	0.3
62.40295	0.3
65.03944	1.4
67.05510	4.7
69.03446	0.6
69.07072	4.3
69.22467	3.1
69.84692	0.4
71.04988	1.6
79.05502	4.8
81.03420	2.2
81.07060	10.0
83.04992	1.4
83.08633	1.6
85.02914	2.0
91.05481	4.4
93.07049	3.9
95.04974	100.0
95.08615	5.0
96.05310	0.8
97.06531	1.0
105.07044	2.9
107.04979	0.8
107.08607	3.2
109.06520	3.2
109.10136	0.5
117.07034	2.6
119.08595	3.9
121.06492	2.8
121.10155	2.2
123.08082	2.7
129.06967	0.9
130.07767	0.5
130.13892	0.3
131.08598	1.5
133.06598	0.4
133.10117	0.9
135.08095	1.4
135.11728	2.5
143.08629	1.0
145.10144	5.6
147.08055	4.1
147.11635	0.5
149.02373	1.5
154.07745	0.5
159.11652	1.9
161.09612	0.9
163.07530	0.5
163.09856	1.1
163.11176	12.9
169.10129	0.6
176.72282	0.4
177.12830	1.8
178.53073	0.4
187.11165	1.9
192.33188	0.4
205.12210	1.7
223.13242	4.0
223.16928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01872	1.4
55.05517	4.1
57.07065	0.6
59.04993	2.3
65.03956	1.0
66.66003	0.5
67.05181	0.7
67.05506	6.7
69.03410	0.6
69.07072	4.0
69.27531	3.5
69.27941	1.2
71.04993	1.3
73.06561	1.4
74.54240	0.5
77.02444	0.6
79.05494	6.6
81.03417	4.1
81.07057	10.4
83.04976	2.1
83.08619	1.3
85.02901	2.1
85.06571	0.9
91.05476	4.9
92.84399	0.5
93.07053	5.4
95.04973	100.0
95.08607	5.5
96.05296	1.0
97.06518	1.7
98.21542	1.2
99.08102	1.1
105.07027	5.0
107.04964	0.8
107.08596	5.0
109.06524	4.2
109.10191	1.6
115.05421	0.6
117.07027	2.8
119.08606	5.1
121.06491	2.7
121.10148	3.0
123.08076	2.9
123.81080	0.5
129.07062	0.8
131.08575	4.1
133.10136	2.2
135.08083	2.3
135.11703	2.4
140.71666	0.6
141.06989	0.7
143.08615	1.0
143.11433	0.6
145.10144	6.6
147.08073	3.7
147.11697	1.1
149.02350	2.1
149.09679	1.1
149.13405	0.5
158.10916	0.7
159.11682	1.9
161.09659	0.9
163.11189	13.6
169.10133	1.0
173.13295	3.3
175.27119	0.6
177.12720	1.4
187.11250	2.2
191.14203	0.7
205.12273	2.1
205.15904	0.7
223.06020	1.0
223.11130	0.9
223.13148	5.7
223.16946	2.3
225.04362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1127
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
50.42959	0.3
54.32011	0.3
71.15903	0.6
79.05519	0.4
91.05499	0.9
93.07074	0.3
103.05485	0.4
104.59885	0.4
117.05819	0.4
117.06989	0.3
118.06557	0.8
120.08116	6.1
130.06548	1.0
131.07339	1.1
143.07314	0.6
144.08084	3.7
146.09657	7.6
164.07082	0.6
176.07114	0.4
178.04941	0.4
190.08650	100.0
191.09120	1.6
192.06572	2.5
192.10190	1.0
214.82565	0.3
222.11266	60.4
223.11557	0.7
241.40298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
54.42664	0.7
55.01863	1.5
55.05516	4.2
57.07075	1.9
65.03915	0.9
67.05512	5.5
67.59421	0.7
68.40147	0.7
69.03431	1.0
69.07072	3.7
71.05000	1.4
79.05493	6.3
81.03418	3.1
81.07059	10.3
83.04973	2.8
83.08600	1.6
85.02912	3.3
91.05480	5.3
93.07061	5.5
95.04976	100.0
95.08620	5.5
97.06541	2.0
105.07041	3.8
107.04982	1.4
107.08604	3.3
109.06521	3.3
109.10195	1.0
111.08077	1.1
111.92103	0.8
117.07044	2.4
119.08556	3.4
121.06505	4.1
121.10175	2.8
122.07170	1.3
123.08069	3.5
131.08606	2.1
133.10086	1.1
135.08064	1.4
135.11714	3.4
138.33224	0.8
139.18056	0.7
143.08611	0.7
145.06570	1.0
145.10110	4.6
147.08098	3.7
149.02339	4.4
149.13257	1.0
159.11786	2.3
161.09767	0.9
163.09824	2.6
163.11221	12.7
164.08252	0.9
173.13295	1.1
177.12738	1.3
181.10902	1.4
187.11229	2.4
205.12247	1.8
223.13254	6.9
223.16917	1.6
225.04303	1.6
239.23190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
64.80693	0.4
66.57437	0.4
70.06593	1.0
70.43722	1.3
79.05489	0.9
91.05498	2.6
98.11690	0.4
103.05463	2.6
105.07055	0.5
106.06568	1.2
115.05459	11.6
117.05776	0.4
118.06548	3.7
120.08112	3.5
130.06531	100.0
130.23206	0.4
131.04965	2.6
131.06871	1.2
132.04463	1.0
132.08118	1.7
133.05495	0.7
133.06490	10.5
140.04945	0.6
143.06053	3.5
146.06020	0.6
146.09679	0.6
148.07574	12.5
158.06018	76.2
159.06374	1.4
160.07594	1.2
176.07089	6.0
178.08661	1.3
186.05508	6.2
190.08652	7.4
204.06546	11.6
222.07782	3.4
222.11252	5.9
223.06284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
51.29102	0.2
65.98739	0.3
71.01341	0.3
71.32804	0.5
91.05499	1.1
93.07040	0.3
103.05439	0.3
115.05398	0.3
117.05696	0.3
117.06985	0.3
118.06541	0.6
120.08109	6.3
120.08961	0.5
128.06252	0.3
130.06514	1.0
131.07307	1.1
136.07581	0.3
138.48035	0.3
143.07307	0.7
144.08090	4.1
144.09137	0.5
146.09645	7.5
156.97502	0.7
158.06079	0.3
163.06268	0.3
164.07085	0.7
176.07069	0.3
177.07745	0.5
188.06898	0.3
190.08630	100.0
191.09181	1.8
192.06567	2.1
192.10172	0.7
222.11250	63.3
223.11610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	3.5
55.05518	23.8
57.07066	9.7
57.38764	1.9
59.05007	2.3
67.05496	24.0
69.06721	3.3
69.07070	34.0
69.51348	14.5
71.04982	7.2
71.08628	2.5
77.03922	2.4
79.05495	24.1
81.06596	4.1
81.07059	65.1
83.04995	4.7
83.08621	18.1
85.06546	5.0
85.10202	2.4
91.05473	26.9
93.07050	37.8
95.04940	4.1
95.08610	76.7
97.06519	4.6
97.10164	9.6
99.08184	2.7
103.05488	4.0
105.07034	61.2
107.04932	4.3
107.08598	55.3
109.06510	5.7
109.10156	48.3
111.08080	7.8
111.11736	3.8
113.09698	2.6
115.05466	4.1
117.07039	5.1
119.04945	2.4
119.08587	51.8
121.06506	5.0
121.10149	28.0
123.08077	7.6
123.11694	19.8
125.09634	12.8
128.06250	3.3
129.06989	2.6
131.04951	3.8
131.08600	5.6
132.05751	2.3
133.06490	7.9
133.10133	37.6
135.11685	8.1
137.09630	6.8
137.13261	2.8
139.11208	3.7
143.08530	2.4
144.08134	2.2
145.10120	4.7
147.04446	4.7
147.08089	3.3
147.10530	3.1
147.11694	53.8
149.13283	8.5
151.10136	2.1
151.11153	13.6
153.12613	2.2
159.11745	3.2
160.05237	2.7
161.06000	8.0
161.09625	6.5
161.13261	36.3
163.14833	20.9
165.07001	3.3
165.12772	10.2
175.07539	10.4
175.11220	2.8
175.14842	20.8
177.09106	4.7
177.12689	2.7
177.16435	10.5
189.05502	4.9
189.09161	5.0
191.09715	2.3
193.08665	5.3
203.10664	5.0
203.14374	4.8
203.17960	100.0
206.16277	2.4
221.04425	6.5
221.08015	7.3
221.10983	8.9
221.15524	13.9
221.19019	69.4
222.13086	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03948	2.6
55.05513	15.4
57.07067	5.3
59.44800	1.9
61.66985	1.7
61.99126	1.7
67.05503	12.3
69.07080	16.7
69.94559	5.9
71.05000	19.3
77.62056	1.9
79.05503	20.7
81.06593	3.7
81.07058	62.4
83.08619	8.6
83.91042	1.8
85.06535	4.8
91.05482	16.4
93.07050	40.6
93.80882	1.9
95.04940	2.5
95.08064	3.2
95.08614	36.2
97.06536	4.2
97.10150	4.5
99.08064	5.7
105.07040	28.1
105.79083	1.9
107.04948	2.1
107.08600	77.0
109.06522	3.7
109.10168	27.7
111.08080	5.3
114.30142	1.8
117.06998	3.6
119.08597	44.0
121.06534	2.0
121.10182	13.7
123.08069	3.5
123.11713	24.5
127.11211	5.2
129.07022	3.1
133.06474	2.1
133.10139	30.5
135.11700	100.0
137.09615	7.7
137.13243	5.1
144.08063	2.7
145.10117	2.7
147.11700	26.5
149.13257	7.9
151.11142	2.9
161.05994	5.3
161.13315	14.7
163.14821	4.3
165.12709	6.1
175.07533	8.0
175.11249	3.7
175.14861	4.7
177.09079	6.6
177.16441	4.6
193.08649	3.2
203.10667	3.9
203.14505	2.3
203.17989	40.5
221.08051	3.2
221.10780	5.6
221.15404	7.7
221.19008	62.4
222.11177	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.8
55.05516	9.8
57.07074	5.4
59.05021	1.7
67.05525	11.0
69.07071	13.3
70.06606	1.7
71.04996	19.2
71.33892	1.8
71.34208	2.0
79.05494	14.4
80.80359	1.5
81.06593	3.1
81.07060	54.2
83.04993	3.2
83.08605	6.6
91.05486	10.8
93.06494	2.3
93.07049	31.9
95.04971	1.5
95.08066	2.5
95.08614	29.8
97.10178	2.3
99.08100	3.5
105.07035	25.7
107.08598	63.6
109.06523	2.3
109.10158	19.3
111.08116	3.8
113.09724	1.8
115.05465	2.1
119.08583	36.0
121.10154	10.3
123.08070	2.5
123.11716	20.3
125.09611	2.2
127.11249	3.7
128.06177	1.6
131.08591	1.9
133.06526	3.4
133.10138	25.5
135.11697	100.0
136.12012	2.4
137.09595	2.1
137.13260	2.3
139.11186	2.2
145.10150	4.3
147.11697	21.0
149.13246	6.3
151.11192	5.6
161.09685	1.8
161.13237	12.9
162.06729	1.8
163.14836	5.0
165.09087	1.8
175.07596	13.0
175.11116	2.0
177.09125	3.4
177.16435	3.1
203.07091	1.6
203.10710	5.9
203.17973	40.3
217.22025	1.9
221.04599	1.5
221.11183	2.2
221.15491	3.3
221.19031	47.4
221.22057	13.2
227.40395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.5
55.05317	0.8
55.05513	8.8
57.07059	3.7
65.03930	1.0
67.05503	8.1
68.43280	0.8
69.07067	8.7
69.34176	0.7
69.51267	5.9
70.27322	0.7
71.04999	16.6
73.06570	1.2
77.03909	0.7
79.05501	14.2
81.07058	46.4
83.04984	2.1
83.08617	5.0
85.06544	1.5
91.05479	10.6
93.07049	33.6
93.07638	1.9
95.04959	1.2
95.08611	22.5
97.06551	1.0
97.10164	2.7
98.97566	0.8
99.08099	3.1
105.07028	19.2
107.08599	57.7
108.08928	1.0
109.06516	2.6
109.10159	16.5
111.08092	4.2
113.09638	1.0
117.07009	1.5
119.08585	32.3
121.06507	1.0
121.10146	8.2
123.08070	1.6
123.11711	17.6
125.09605	1.4
127.11247	4.3
131.08609	1.0
133.06387	1.6
133.09129	1.3
133.10132	22.8
135.11694	100.0
137.09657	4.4
137.13243	2.6
139.11133	1.3
144.08052	7.4
145.10152	2.5
147.11690	19.0
149.13257	6.3
151.03902	2.6
151.11188	3.7
161.06000	2.1
161.09679	1.0
161.13269	8.6
162.09131	3.1
163.14827	4.2
165.12744	3.8
175.14793	2.1
177.09152	1.3
177.16426	2.5
190.08665	2.0
203.07118	1.1
203.17964	29.2
221.06175	0.9
221.08206	1.7
221.10898	2.6
221.15448	1.9
221.19020	37.2
222.11125	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03952	4.3
55.01860	4.5
55.05510	17.5
57.07081	5.4
59.05005	4.1
67.05505	22.7
69.03414	6.6
69.07076	22.5
71.04993	21.9
71.48877	3.7
73.58923	2.7
79.05491	29.4
81.03394	2.9
81.07057	73.3
83.04988	4.9
83.08617	11.1
85.06543	5.9
91.05488	36.7
93.07051	49.6
95.04956	5.2
95.08611	45.6
97.06550	8.6
97.10187	3.1
99.08117	4.4
103.05431	7.1
105.07031	60.3
107.04955	11.5
107.08600	77.4
109.06525	6.7
109.10163	32.5
111.08100	11.2
115.05450	13.4
117.07031	13.9
119.08585	65.6
121.06511	8.4
121.10143	21.0
123.08089	8.7
123.11718	29.8
125.09641	4.0
125.88279	3.2
128.06229	6.7
129.07004	9.9
131.04904	8.1
131.08559	5.1
132.05705	4.4
133.06505	13.1
133.10132	43.0
135.08012	4.0
135.11693	100.0
137.05969	7.7
137.09634	8.0
143.08568	7.6
145.06502	6.6
145.10179	6.6
146.07268	9.1
147.04391	7.5
147.08060	10.2
147.11688	25.6
149.13206	14.2
151.11172	7.3
154.53302	3.2
157.10017	3.2
159.11716	4.7
160.05222	8.0
160.08972	3.3
161.06003	30.2
161.09637	13.6
161.11987	4.6
161.13269	34.8
162.06789	11.2
163.11269	5.1
163.14850	8.1
165.05476	3.6
165.06929	5.5
175.03903	3.2
175.07549	77.3
175.11191	12.0
175.14847	8.9
177.09131	31.9
177.16394	4.5
179.10736	3.6
185.13208	3.3
189.05495	3.9
193.04996	3.6
193.08675	16.9
193.15945	2.9
201.43030	3.1
203.07040	4.1
203.10649	25.7
203.14345	6.3
203.17990	51.0
206.16217	6.4
221.04492	10.1
221.08089	9.1
221.10873	16.8
221.15387	18.9
221.17271	11.5
221.19086	65.1
222.12886	3.2
228.18283	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.37391	1.7
53.03939	3.9
55.01872	3.2
55.05525	12.5
55.05747	2.5
57.07069	5.0
57.63233	1.7
61.79123	1.7
63.15751	1.6
67.05505	18.8
69.07074	16.0
69.28979	3.6
69.29379	10.6
71.05000	9.8
77.03980	1.9
79.05503	38.4
81.03406	1.8
81.07069	29.9
83.05000	3.9
83.08620	4.9
85.02913	3.4
85.06547	2.6
91.04903	3.2
91.05487	65.5
93.07053	43.2
95.04987	5.9
95.08614	21.9
97.06528	3.6
103.05502	2.7
105.07042	95.7
107.04949	5.9
107.08602	30.7
109.06512	5.7
109.10175	6.2
111.08124	2.7
115.05485	2.0
117.07036	12.3
119.04961	2.3
119.08593	97.0
120.08950	2.6
121.06509	4.8
121.10160	13.7
123.04459	3.3
123.08080	5.6
123.11714	1.9
128.06239	4.9
129.06984	12.4
131.08589	10.4
133.06480	4.3
133.10156	32.6
135.08047	6.0
135.11728	5.2
137.06073	1.8
137.09677	3.0
143.08607	9.1
145.10135	4.2
147.08066	28.0
147.11688	13.9
149.09531	2.9
151.07579	4.9
152.61287	1.9
157.10138	7.0
159.07996	1.9
159.11725	15.6
161.09648	18.3
161.13275	100.0
162.13644	1.9
165.09140	12.3
175.07625	2.2
175.11237	13.9
175.14833	14.4
179.10680	6.7
185.13263	17.1
203.03430	2.3
203.10831	1.9
203.14326	35.4
203.17935	3.4
206.16232	3.7
221.04413	6.4
221.07893	3.6
221.11609	1.9
221.13396	2.5
221.15350	41.7
221.18867	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	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54173	0.2
53.35276	0.2
66.54970	0.2
67.05505	0.3
71.48608	0.4
79.05500	0.5
81.07057	0.7
86.89601	0.2
87.36191	0.2
91.05481	1.5
93.07048	0.6
95.08600	0.7
97.06512	0.2
103.05463	0.2
105.07056	1.0
107.04945	0.2
107.08598	0.8
109.10184	0.6
111.08102	0.3
115.05448	1.0
116.06237	0.7
117.07030	4.3
119.04948	0.4
119.08601	1.1
121.06496	0.4
121.10128	0.3
123.11723	0.3
128.06255	1.2
133.06506	0.9
133.10149	0.5
134.07298	1.2
134.72675	0.2
135.08075	0.8
135.11696	0.7
143.08572	1.0
144.05659	0.5
145.06480	0.9
147.04369	0.3
147.11717	0.5
148.77898	0.2
149.09602	0.4
149.13223	0.4
160.05203	0.4
161.06001	0.4
161.13310	0.2
162.06790	5.4
171.08066	0.6
175.07581	2.8
177.09125	100.0
178.09492	1.5
203.10739	0.7
203.17976	0.6
220.11411	0.2
221.11650	0.8
221.17175	0.3
221.19049	1.0
236.29608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
50.42286	0.3
55.05497	0.4
57.07047	0.6
59.23819	0.3
61.98343	0.4
67.05470	0.4
70.90925	0.7
79.05484	0.5
80.05000	0.7
82.07358	0.4
91.05461	1.0
92.05779	0.5
93.07050	0.4
95.05004	0.4
95.08601	0.4
105.07022	0.9
107.04911	0.6
108.04488	4.4
111.91765	0.3
117.19309	0.3
118.06561	8.9
119.08583	0.7
120.08141	0.6
121.06459	0.5
121.10112	0.4
124.03960	5.2
129.06963	1.0
130.07336	1.4
131.08545	1.2
132.08060	2.6
132.08925	1.8
133.08829	1.2
133.10054	0.4
134.09633	0.6
134.10529	0.5
138.97498	0.3
142.07344	0.5
144.08067	0.8
145.06036	1.1
146.09592	2.5
148.07581	0.9
152.07076	12.4
152.08305	0.7
159.08026	0.7
160.08406	3.0
162.09152	6.6
164.10684	0.4
168.05214	0.6
168.06578	9.9
170.07964	0.6
175.07362	0.8
176.07906	0.5
176.10759	4.1
176.14348	25.3
177.09117	0.6
177.11479	1.4
177.14639	0.4
187.07532	0.5
188.07860	3.3
190.09444	0.6
190.12242	2.7
192.10228	0.7
202.09511	0.4
202.15892	0.4
204.08131	0.6
205.08769	1.3
205.15857	2.8
220.09602	1.9
220.11131	3.3
220.16959	100.0
221.10486	0.3
221.17317	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60532	0.4
55.05490	0.6
57.07067	0.9
57.33741	0.4
59.22301	0.5
64.93076	0.4
67.05493	1.1
69.03426	0.4
69.07045	0.6
70.07412	0.4
71.04985	0.4
71.49049	0.7
79.05451	1.3
81.07011	1.4
81.07454	0.5
83.04945	0.7
84.04496	0.5
91.05449	1.9
92.05803	1.0
93.07014	0.9
94.07385	0.5
95.04939	1.3
95.08588	1.5
96.08904	0.7
103.05462	1.0
105.07013	2.4
106.07337	1.3
107.04320	0.6
107.04964	9.1
107.08571	1.8
108.04464	2.2
108.08910	0.8
109.10120	1.7
116.05739	0.7
117.07050	0.5
118.06555	10.3
118.07333	0.8
119.08543	1.7
120.08075	2.0
120.08884	1.2
120.76412	0.4
121.06532	0.4
121.10114	1.5
122.10465	0.8
123.08044	1.0
123.11671	0.9
124.03960	2.0
128.06250	0.6
129.07056	0.4
130.07339	2.1
130.18085	0.4
131.04869	0.5
131.08572	1.1
132.04413	0.8
132.08029	2.8
132.08932	2.4
133.06326	0.4
133.08856	1.3
133.10095	1.3
133.32143	0.4
134.09557	0.7
134.10483	2.0
135.11664	0.9
137.09583	0.7
142.07324	0.9
145.05986	1.8
145.10065	1.4
146.09578	2.9
147.07930	0.7
150.05472	0.5
152.07072	4.4
157.06454	0.5
159.07704	0.7
160.08429	3.9
160.12144	0.9
161.13159	0.5
162.06755	0.6
162.09134	6.3
162.13522	0.4
165.07011	0.8
165.09097	1.2
168.06566	3.6
175.07304	2.0
176.07967	2.0
176.10782	3.7
176.14351	26.9
177.07681	0.6
177.09113	9.1
177.11385	1.0
177.12772	0.7
180.08167	0.4
187.07199	0.5
188.03430	2.9
188.07901	3.1
189.09015	0.9
190.09396	1.8
190.12276	3.3
191.07138	0.8
195.67848	0.4
202.16634	1.4
204.08061	2.2
204.14490	1.7
205.08858	3.2
205.15887	7.8
217.60892	0.5
218.09648	1.0
220.06035	0.8
220.11398	10.8
220.16933	100.0
221.10890	0.5
221.15300	1.0
221.17250	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	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03959	0.8
55.01868	1.6
55.05514	6.5
57.03431	1.0
57.07071	1.3
59.04993	3.0
67.05506	8.3
69.07070	27.6
70.98617	1.5
70.98961	0.8
71.04986	2.8
79.05505	5.7
81.07063	14.0
83.04987	1.3
83.08617	3.9
85.06536	2.2
85.10167	0.7
91.05490	6.4
93.07049	12.2
95.04958	3.1
95.08614	18.6
97.06547	2.8
97.10160	2.2
101.77712	0.9
105.07037	17.5
107.04973	1.0
107.07879	1.4
107.08602	21.2
107.09251	0.7
109.06550	4.7
109.10165	19.2
111.08105	3.3
117.06991	3.5
119.08593	18.4
121.06491	2.4
121.10141	17.2
123.08071	3.1
123.11684	4.3
125.09655	1.9
127.68338	0.7
129.07011	1.0
130.07791	0.9
131.08588	6.6
133.10143	9.7
135.08080	4.0
135.11700	12.8
137.09633	11.3
137.13239	1.9
138.88153	0.7
144.09326	0.7
145.10130	17.0
147.11725	4.2
148.08798	0.9
149.09628	8.4
149.13266	4.4
151.11162	1.8
157.10229	0.9
159.08020	0.8
159.11688	9.2
161.09691	1.0
161.13257	12.4
163.11195	14.6
163.14815	1.0
173.05962	0.8
173.13271	4.4
175.14839	7.2
177.12753	2.5
177.16356	2.1
186.14055	1.2
189.09128	1.1
191.17950	7.4
195.83403	0.7
201.16405	15.7
203.14272	5.3
219.06485	1.2
219.10211	2.9
219.17453	100.0
220.17802	2.4
222.09282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Grimaldone
Peak:m/z	Relative Intensity
53.03937	2.1
55.01868	1.5
55.05514	8.4
57.07063	0.9
58.34460	0.5
65.03923	0.7
67.05505	21.7
69.03413	1.4
69.07073	5.2
70.74609	1.0
71.04969	0.7
75.27648	0.4
77.03922	0.8
79.05494	27.5
81.03415	4.0
81.07059	20.0
83.04980	1.4
83.08619	2.7
85.02841	0.5
85.06556	0.8
85.75668	0.4
91.05486	29.3
93.07048	28.2
93.07563	0.5
95.04963	3.1
95.08611	13.5
97.06534	2.0
97.10153	1.8
98.02097	0.4
99.08062	0.7
103.05463	0.6
105.04546	0.7
105.07037	11.3
107.04955	6.1
107.08596	13.4
109.06508	2.5
109.10162	5.1
111.08068	0.8
113.09618	0.7
115.05444	0.9
116.06249	0.5
117.07025	10.2
119.08588	10.9
121.06506	4.2
121.10148	10.0
123.08080	2.7
123.11703	1.0
125.09631	0.5
128.06213	0.8
129.06995	1.6
131.08568	17.4
133.10147	5.1
135.08054	1.4
135.11697	4.8
137.09692	0.6
139.11221	0.5
141.07018	1.0
144.05672	0.7
145.09076	0.7
145.10136	7.9
145.97292	0.4
147.11693	2.1
149.09581	1.0
149.13237	1.3
153.12813	0.5
157.10117	0.5
158.07239	0.5
159.08073	1.8
159.11676	4.3
161.13261	1.8
173.13284	2.3
175.14801	1.0
187.07524	0.7
189.09117	1.4
201.09103	0.7
201.16417	3.8
203.14359	3.4
219.10188	1.7
219.17447	100.0
220.17789	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03940	2.4
55.01883	1.3
55.05307	1.1
55.05518	10.9
56.96599	1.2
57.03424	2.3
57.07077	4.0
62.53684	1.1
65.03927	2.2
67.05180	1.4
67.05512	16.5
69.03436	3.8
69.07076	10.4
69.55577	7.4
71.04995	5.4
79.05503	11.8
81.07069	37.9
83.04993	5.1
83.08623	4.9
85.06541	3.6
91.05489	18.4
93.07059	28.1
95.04968	4.1
95.08621	33.5
97.06542	9.5
98.21330	3.4
98.97605	2.0
103.05456	3.0
105.07045	50.3
106.07340	1.5
107.08612	26.5
108.62733	1.1
109.06522	6.3
109.09480	2.0
109.10166	25.7
111.08098	6.0
115.05496	6.1
116.06252	2.9
117.07037	12.1
119.08601	37.0
121.06511	3.9
121.10162	23.4
123.08109	8.4
123.11729	6.7
125.09659	4.1
128.06256	3.9
129.07033	11.5
130.07823	2.7
131.04929	2.1
131.08586	27.1
133.10144	23.0
135.08073	6.7
135.11731	11.6
137.09625	3.0
141.07042	5.6
143.08530	2.6
144.05754	6.9
144.09305	2.5
145.06485	4.2
145.10147	33.2
147.08038	2.0
147.11703	13.9
149.09654	4.7
149.13263	3.4
151.11208	1.9
153.84315	1.1
157.06479	4.1
157.10136	2.4
158.07289	4.1
159.08087	12.8
159.11717	33.8
161.05980	1.4
161.09622	2.6
161.13283	29.1
163.07556	1.3
163.11226	7.4
163.14862	3.3
169.06458	2.2
172.12564	1.2
173.05981	2.6
173.09721	1.3
173.13255	8.9
174.06807	11.3
175.07571	8.9
175.14842	9.1
176.08324	1.2
177.12764	2.7
177.16461	2.3
186.06773	3.5
187.07574	9.3
189.09131	14.0
191.07063	1.7
191.10689	3.5
191.14334	2.0
191.17967	5.6
194.56810	1.2
199.10919	1.4
201.09152	5.7
201.16412	45.7
203.14325	7.3
204.07971	2.2
219.02959	1.9
219.06697	2.0
219.08165	1.5
219.10217	25.6
219.13852	4.3
219.17467	100.0
220.17429	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05499	2.4
55.08702	1.6
59.39749	1.4
69.07069	1.7
70.86583	2.6
70.86926	3.0
79.05497	3.0
81.07034	2.3
89.19103	1.6
91.05483	15.0
93.07041	2.7
103.05476	4.4
105.07034	5.0
107.08593	3.1
109.10100	1.5
115.05454	11.2
116.06215	4.6
117.07021	6.2
119.08520	3.7
121.10136	3.9
128.06198	12.3
129.07014	48.0
130.07762	2.7
131.04947	9.9
131.08568	40.3
133.10089	3.2
135.11662	2.3
137.05983	5.3
141.07001	39.3
143.04979	2.6
143.08560	1.9
144.05688	5.9
145.06509	10.7
145.10176	3.5
146.07265	5.2
147.08025	2.4
148.05151	2.1
151.07524	1.8
157.06493	21.7
158.07281	24.2
159.04407	6.5
159.08063	29.4
159.11662	4.6
160.05193	7.5
161.05820	2.1
161.09587	3.8
161.13312	1.7
163.07521	2.7
169.06479	14.0
169.07713	2.5
170.07236	7.9
173.05988	6.4
174.06779	87.3
175.07523	12.7
185.05936	2.4
186.06757	16.6
187.07465	3.8
188.08318	3.1
189.09114	100.0
190.09538	1.7
191.06955	2.1
191.10704	8.1
201.07301	3.2
201.09106	43.3
201.16368	2.2
203.14313	7.7
219.10161	93.7
219.17430	29.4
220.10495	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05490	1.8
57.03444	1.7
60.57004	1.7
64.96931	1.3
67.05497	1.8
69.07056	1.2
69.95084	6.6
71.04996	1.5
75.98995	1.4
79.05467	1.7
81.07041	2.8
91.05470	12.7
93.07030	1.9
95.08611	3.3
96.37960	1.5
98.97553	5.0
101.10314	1.4
103.05481	3.5
105.07029	6.2
107.08588	4.6
109.10122	1.7
115.05446	11.6
116.06219	4.2
117.07005	3.5
119.04984	1.7
119.08575	3.6
121.10163	5.1
128.06236	11.8
129.07008	44.6
130.07762	3.2
131.04941	6.6
131.08565	41.8
132.08830	2.1
133.10109	6.2
135.08029	1.3
135.11684	1.5
137.05991	3.7
141.06999	37.4
143.04915	2.7
143.08572	2.4
144.05731	6.8
145.06499	8.3
145.10091	2.9
146.07249	4.7
147.11778	1.6
157.06522	21.2
158.07285	21.1
158.99634	2.4
159.04414	3.9
159.08060	33.0
159.11690	5.2
160.05208	6.9
161.05949	1.6
161.09599	3.8
163.07617	3.3
168.05629	1.7
169.06462	12.8
169.07603	3.0
170.07260	8.9
173.05969	5.7
173.09584	1.6
173.13214	1.4
174.06772	75.0
175.07552	19.6
177.09016	1.7
185.05983	2.3
186.06754	17.3
187.07512	7.1
188.08319	4.5
189.09106	89.2
190.09482	2.4
191.10669	7.1
201.09100	44.2
201.16429	2.0
203.14310	1.7
204.07883	2.0
219.10165	100.0
219.17409	12.9
220.10486	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	219.1019
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.78186	0.5
55.01870	0.7
55.05509	1.8
57.07073	0.8
67.05490	2.3
69.07082	1.2
79.05510	3.6
81.07067	4.4
83.04987	0.9
91.05496	5.2
93.07047	3.8
95.04957	0.7
95.08606	2.7
101.08826	0.6
103.05447	1.0
105.07038	4.2
107.04938	0.8
107.08624	3.6
109.06503	1.5
109.10146	2.2
115.05468	7.1
116.06226	2.1
117.07038	6.1
119.08606	4.3
121.06531	1.4
121.10159	5.8
123.08086	0.7
127.05515	0.7
128.06219	1.9
129.07027	5.3
130.04129	1.2
130.07799	0.8
131.04945	0.8
131.08586	5.3
133.06454	1.0
133.10139	2.6
135.08072	1.1
135.11682	2.0
141.06969	1.5
143.04942	5.5
143.08505	0.9
144.05704	5.3
145.06503	46.2
145.10120	2.8
147.04411	0.8
147.11726	1.2
157.02856	3.8
157.06546	1.8
157.10118	0.8
158.07251	4.8
159.04440	2.0
159.08076	16.7
159.11707	2.8
161.06013	6.4
161.09590	1.1
161.13269	2.1
163.07632	0.7
163.11223	0.6
169.06454	0.8
172.05194	1.9
173.05997	30.2
173.13278	1.8
174.06789	6.5
175.03867	1.1
175.07532	2.1
175.14835	1.1
187.07558	3.2
187.11090	0.9
188.08345	100.0
189.05490	24.0
189.09081	12.5
191.10593	1.4
201.09053	1.5
201.12946	0.7
201.16257	1.4
203.14342	9.1
204.07841	40.8
219.03032	0.9
219.06566	2.4
219.10188	51.2
219.13809	3.8
219.17456	33.9
219.21219	2.2
220.10611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48963	22.3
61.48245	23.1
64.34208	25.4
68.92887	24.2
69.40088	85.0
69.40502	100.0
136.62820	21.0
220.81557	24.1
237.17012	20.3
237.25101	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05486	1.5
67.05502	3.6
69.07069	2.0
70.04581	2.7
70.04974	2.0
71.05006	2.1
77.03918	1.1
79.05494	2.3
81.07059	3.6
83.08629	1.6
85.02897	1.9
91.05479	16.9
93.07038	4.9
95.08601	2.7
98.97616	1.4
103.05471	4.2
105.06410	1.1
105.07035	7.1
107.08599	3.2
109.10168	1.6
115.05457	10.8
116.06232	4.4
117.07031	6.9
119.08591	5.2
121.10148	4.2
125.09657	1.3
128.06215	10.6
129.07021	39.8
130.07759	2.7
131.04944	9.6
131.08575	35.7
132.05717	1.1
133.10149	7.5
135.08084	1.6
135.11710	2.3
137.05975	3.5
141.06993	31.1
143.04875	2.8
143.08600	1.9
144.05684	11.2
145.06516	6.7
145.10123	5.1
146.07285	5.3
147.08006	1.7
157.06494	16.3
158.07295	20.5
159.04407	4.6
159.08073	32.2
159.11696	5.0
160.05220	5.5
160.99132	1.2
161.06021	2.6
161.09671	3.6
161.13231	2.0
163.07539	2.1
163.11176	1.5
168.05713	2.1
169.06462	12.9
169.07628	2.6
170.07286	6.8
173.06068	6.4
173.09615	1.4
173.13350	1.5
174.06783	59.6
175.07549	16.5
176.08217	1.6
179.00177	1.3
186.06787	13.0
187.03967	1.8
187.07547	11.7
188.08232	3.2
189.09123	73.6
190.09483	2.2
191.06964	1.8
191.10692	5.1
201.09122	28.3
201.16388	3.0
203.14281	8.6
204.07980	2.6
218.09619	1.7
219.02995	1.6
219.10187	100.0
219.17445	31.7
220.10675	1.4
227.02348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
55.01860	2.9
55.05515	33.7
57.03410	1.3
57.07066	2.2
59.04982	3.7
65.03934	2.2
67.05508	14.9
69.03433	7.0
69.07071	10.2
69.38161	1.2
69.83375	6.2
69.83749	2.4
71.04966	1.8
73.02921	3.2
77.18150	1.5
77.18636	1.2
79.05500	16.7
81.07059	13.1
83.04495	2.4
83.04987	46.6
83.08623	4.7
85.06553	3.9
87.04474	5.9
89.02398	3.0
89.06046	6.7
89.06533	1.1
91.05479	18.0
93.07050	26.7
95.04976	32.1
95.08620	18.4
97.06518	6.8
97.10166	2.3
99.04449	2.5
101.06014	16.0
101.94250	1.4
105.07039	47.6
107.04955	2.5
107.08603	19.6
109.06512	10.1
109.10152	15.1
111.04446	55.4
111.08076	3.5
113.06013	8.5
115.05453	7.6
117.07034	7.5
118.04158	1.8
119.08585	33.7
121.06506	3.9
121.10152	58.5
123.08076	10.0
123.11688	2.0
125.94740	1.3
127.07534	7.9
128.06221	5.0
129.05508	10.1
129.06996	4.7
131.04907	3.4
131.08586	9.8
133.06479	3.5
133.07523	1.3
133.10136	22.8
135.08073	2.8
135.11700	4.7
137.05954	1.5
137.09608	3.9
142.07796	3.7
143.04955	1.8
143.08583	14.6
144.09312	2.4
145.06546	1.7
145.10110	6.3
146.03671	1.7
147.08066	11.7
147.11687	8.7
155.07042	75.9
156.05713	2.7
156.09302	3.0
157.10149	17.6
158.10883	1.9
159.08116	1.6
159.11710	13.9
160.05180	1.5
161.05980	4.9
161.09595	13.0
161.13292	3.3
169.10123	2.0
170.10796	1.6
171.11690	7.4
173.05937	3.1
173.08119	39.6
173.13272	10.1
174.03122	17.8
174.10443	1.5
174.18555	7.9
175.11206	5.9
175.14825	3.6
184.12488	2.3
187.14838	2.3
189.09093	3.9
189.12758	2.1
189.16360	6.4
199.09631	3.2
199.14810	29.7
202.02625	82.4
203.02907	1.5
217.04974	100.0
217.08571	4.9
217.10651	37.4
217.12247	2.6
217.15889	78.5
217.19479	7.3
218.05283	3.2
237.01495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1645
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.15390	1.0
52.15632	1.0
53.03944	2.0
55.05511	10.9
57.03434	2.8
59.59674	1.3
61.62714	1.1
66.52948	1.0
67.05508	8.3
69.07072	6.2
69.26511	9.9
71.04990	2.8
74.09723	1.2
77.03927	2.5
79.05480	4.8
81.07056	20.3
83.08642	5.5
85.06531	4.2
89.03901	2.8
91.05495	8.1
93.07047	7.2
95.04972	2.1
95.08609	22.9
97.06529	5.5
97.10151	1.5
99.08076	2.6
103.05482	1.9
105.03371	4.0
105.07033	9.4
105.58829	1.2
107.08588	3.9
109.10191	2.4
115.05460	2.6
117.06997	2.4
119.08590	10.5
121.10133	3.0
123.08068	1.5
129.03384	1.3
129.04445	1.8
129.06966	1.6
131.04927	1.9
131.08577	2.8
132.95819	2.5
133.02864	12.1
133.10110	6.9
135.11752	5.3
137.13251	3.0
141.06993	3.3
142.07814	1.4
144.05737	1.8
145.02844	1.7
145.10114	4.1
150.96849	1.5
157.04036	1.5
159.04416	7.5
159.08012	2.1
159.11702	2.8
161.02356	37.0
161.13287	13.1
169.06490	1.8
169.10107	1.5
173.02353	100.0
173.09573	2.6
173.13171	1.3
174.02942	1.4
177.05591	1.2
179.14261	4.7
183.04367	1.4
185.06015	1.9
186.03169	10.6
187.03877	4.8
187.07527	4.1
187.11182	2.8
197.06013	1.9
197.09573	1.7
197.15367	2.1
215.07028	47.4
215.10349	6.4
215.14354	5.1
215.17941	4.3
216.07422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.9962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.96553	1.3
59.53221	0.6
65.38470	0.5
69.75478	3.0
72.86317	0.5
82.99834	1.9
83.04983	1.9
85.01422	0.8
96.03654	0.5
98.97527	0.8
98.98472	15.2
100.02478	0.8
101.00275	1.0
101.00881	9.0
101.06021	0.7
102.16208	0.6
103.02453	2.1
111.04440	3.3
113.00808	0.9
119.01914	11.5
120.95396	1.3
124.99179	0.6
127.02423	1.9
131.01891	1.4
137.02956	1.0
138.96417	21.2
143.00220	0.8
143.01898	0.7
145.03474	10.8
147.01447	1.1
147.96997	0.7
152.97972	1.0
153.00313	0.9
155.07048	3.3
156.97485	100.0
157.97578	1.8
163.00482	1.3
163.04510	2.5
163.50644	0.8
167.03001	0.6
168.97498	1.0
170.99124	4.2
171.01375	2.7
171.05045	0.7
172.00972	0.7
173.02956	0.8
173.08139	1.5
174.98547	50.3
175.98653	1.4
177.98087	0.6
179.99097	1.4
180.97437	2.5
181.53777	1.0
184.99133	0.7
186.00752	1.5
186.50853	0.7
189.00130	1.7
189.02428	3.4
193.99471	1.6
194.00809	1.7
194.03040	1.6
195.01390	1.5
198.98540	50.6
199.98604	1.8
202.02667	1.6
203.00160	1.1
207.03468	1.1
212.01686	1.4
212.03871	0.8
214.96539	2.2
216.54129	1.5
216.96255	3.0
216.99606	74.8
217.05035	2.5
217.10649	1.4
217.99721	1.2
238.96506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1644
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05507	27.6
64.10220	5.9
67.05517	32.2
69.07071	30.6
69.55486	7.3
70.10242	27.7
71.05000	15.9
74.09708	6.3
79.05499	18.3
81.07059	72.3
83.08623	28.3
85.06553	18.0
86.14068	5.9
91.05477	27.5
93.07044	20.9
95.08617	100.0
97.06534	18.9
97.10113	7.7
105.07038	36.3
107.08610	7.3
109.06532	7.7
109.10168	10.9
110.58782	5.8
119.08585	37.4
121.10181	11.2
128.14365	12.7
131.08533	9.3
132.95827	14.3
133.10112	26.7
133.33305	5.9
135.11716	12.9
137.13208	12.4
145.06468	8.1
145.10127	13.3
146.92355	6.8
154.12216	6.5
159.11641	12.0
161.13278	69.1
169.10103	9.3
173.02408	7.5
179.14331	28.9
197.15306	10.5
215.06955	10.3
215.10620	12.2
215.14395	11.6
215.17781	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1432
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.02362	1.5
53.03929	3.6
53.95652	1.1
55.01863	2.1
55.05496	5.1
57.03420	2.2
57.07061	2.0
60.08627	1.0
61.63478	1.0
62.12453	1.2
65.03928	2.5
67.05506	11.5
69.03430	17.3
69.07047	4.9
69.16147	1.0
71.04993	9.2
71.49348	2.2
73.14660	1.1
74.09691	1.3
77.03925	1.5
79.05498	10.9
81.03387	2.7
81.06678	1.1
81.07063	15.8
81.83957	1.1
83.04954	1.9
83.08608	3.7
89.03896	1.9
91.05485	20.8
93.07043	14.7
95.04971	49.3
95.08612	6.3
97.06532	1.4
101.77422	1.0
103.05446	3.6
105.03423	1.1
105.07034	44.7
107.04938	4.2
107.08617	8.3
107.15446	1.2
108.57898	1.1
109.05811	2.0
109.06522	27.4
109.10138	2.4
115.05441	5.2
116.06256	1.9
117.07024	10.8
119.08586	100.0
120.08919	2.2
121.06499	7.8
121.10126	3.4
123.08064	17.5
123.11687	5.0
128.06224	4.5
129.06990	8.4
130.07782	4.7
131.04907	3.7
131.08575	23.7
132.95827	4.1
133.02831	6.8
133.06465	1.6
133.10135	28.6
135.08073	2.1
141.06999	13.1
142.07773	5.0
143.08569	9.7
144.05690	4.3
144.09314	4.4
145.06517	7.1
145.10130	32.6
147.08054	2.4
150.96854	4.7
150.98030	1.2
151.11217	2.4
153.07022	2.0
154.07751	3.8
155.04909	1.4
155.08582	10.7
156.09358	7.8
157.06490	2.8
157.10146	14.4
158.07286	6.0
158.10883	2.2
159.04456	7.3
159.08075	11.3
159.11707	11.3
161.02345	19.3
165.07152	1.2
167.08548	11.4
169.06392	2.9
169.07689	1.4
169.10146	10.3
170.10933	1.8
171.08072	1.7
171.11711	7.9
172.05162	1.5
172.08803	3.8
172.12543	2.7
173.02353	45.9
173.05954	4.3
173.09633	24.1
173.13339	8.4
179.08607	1.9
181.10066	1.6
182.10912	17.8
183.04364	2.0
185.05966	1.6
185.09671	6.5
186.03149	4.9
186.10353	3.9
187.03940	2.3
187.07536	7.3
187.11212	11.4
187.14787	8.6
191.97203	2.4
197.05899	2.9
197.09613	4.3
197.13251	20.5
200.04640	2.2
200.11967	6.6
215.05257	1.2
215.07010	32.0
215.10808	14.1
215.14314	57.0
215.17987	3.6
216.12343	1.4
216.14543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0916
Annotation	Morindacin
Peak:m/z	Relative Intensity
53.03952	11.4
55.01870	9.4
55.05511	13.7
56.96558	13.8
67.05501	19.7
69.03421	14.1
70.92107	9.9
79.05498	68.7
81.03416	8.5
81.07064	37.8
83.04961	7.4
83.76570	4.3
84.64039	6.0
85.02895	10.4
88.26159	4.5
91.05481	12.7
93.07053	10.1
95.04961	22.7
95.08605	14.7
97.02904	20.0
98.97588	45.8
99.04402	4.8
103.05449	10.9
105.07050	46.8
107.04961	25.1
109.02847	9.4
109.06529	41.2
111.08096	38.9
116.98635	10.3
117.06989	5.6
121.06509	11.7
122.01258	6.8
123.04398	6.7
123.08075	11.6
127.03922	100.0
133.06497	20.9
135.04387	7.5
137.06003	16.4
151.03903	66.4
151.07558	26.5
152.04257	6.5
153.05481	38.5
155.07059	6.4
158.99725	12.0
162.95369	5.2
179.06995	57.6
185.02792	9.4
187.03944	5.0
187.50797	5.0
197.08051	18.7
215.03490	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05515	52.8
57.03433	3.5
57.07086	2.5
57.69588	1.9
67.05506	25.4
69.03422	2.5
69.07072	47.8
70.74361	3.8
71.05002	4.1
72.26360	2.0
79.05493	12.4
81.03458	2.1
81.07058	77.2
83.04994	6.6
83.08624	40.5
85.02905	2.3
85.06555	5.9
91.05480	16.3
93.07037	19.6
95.08616	100.0
97.06547	11.6
97.10181	14.5
98.06853	2.2
99.08104	4.5
105.07034	17.8
107.08587	8.7
109.06525	4.2
109.10191	9.7
111.08098	4.0
119.08593	27.1
121.10166	10.2
123.08059	8.8
127.07577	2.8
133.10144	16.6
135.11711	11.7
137.09578	2.6
137.13274	16.9
141.06955	2.1
141.09065	3.0
161.13261	38.7
173.02312	3.7
179.14374	8.8
196.16983	14.8
214.15878	3.2
214.18030	56.2
215.07115	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	214.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05495	1.1
56.96299	1.2
56.96567	16.2
57.03431	3.6
58.06594	1.0
58.99856	1.0
61.02924	2.7
62.51888	1.1
65.03943	1.0
67.01856	1.0
67.05499	2.5
68.98282	3.4
69.03420	4.4
69.07066	10.8
69.58638	6.6
70.06614	1.4
70.99863	1.0
71.04989	2.1
72.00677	0.9
73.02905	3.7
73.06543	1.5
79.05495	1.6
81.03408	3.1
81.07048	1.0
82.01444	2.4
82.99846	6.3
83.04981	1.3
84.01210	1.0
84.08144	2.3
84.96007	1.4
85.02926	4.8
86.09710	75.2
86.99348	1.5
88.02136	0.9
89.00840	1.0
95.04991	1.5
95.06092	1.5
95.08559	1.0
97.01383	1.1
97.02895	3.2
97.06541	8.4
98.20821	1.5
98.97594	9.1
99.04462	2.4
100.02493	6.5
100.99110	1.6
101.00887	55.5
102.00963	3.0
103.00645	1.4
103.02384	1.5
103.05508	1.1
105.00337	1.5
107.04953	3.1
109.02889	1.0
110.97556	2.8
112.02429	1.1
112.07598	3.4
113.00844	3.5
113.02344	1.2
114.04083	1.2
114.09163	1.2
115.00665	1.1
115.02422	4.3
116.98620	2.9
117.02153	1.4
117.03975	1.4
118.03536	9.1
119.01925	100.0
120.02020	4.7
120.08153	1.5
121.01643	1.2
121.06406	1.0
123.92178	0.9
126.04074	1.9
126.97033	1.2
127.02410	7.8
127.03928	2.8
128.02332	1.5
128.98587	3.0
129.04005	3.0
130.03593	2.3
131.01906	9.8
132.05084	2.1
133.03429	4.7
136.04619	1.4
136.06313	0.9
136.93002	1.2
137.01961	0.7
137.02956	19.7
141.03947	1.6
142.05301	1.2
143.01878	5.4
143.05525	1.3
144.05063	2.7
144.08673	1.9
144.98151	1.3
145.01701	1.3
145.03468	19.3
147.03084	1.6
147.04953	1.1
149.02933	1.9
151.02534	1.6
153.01923	1.0
153.03949	1.9
154.94193	1.3
155.01910	5.2
155.03702	1.1
155.05548	2.2
157.03441	2.8
160.06410	2.1
161.02956	7.5
162.02959	1.4
162.99156	1.4
163.04497	1.6
165.00694	1.1
167.01910	1.1
168.08713	5.0
169.03445	8.7
171.01479	1.4
171.05095	1.9
172.01530	3.2
172.04677	2.4
172.06570	1.1
173.01233	1.7
173.02971	6.8
173.06583	2.8
174.03040	1.3
175.04465	1.7
177.00865	1.6
177.03943	1.5
179.05612	1.2
185.02951	1.8
186.09770	50.8
187.04553	13.9
190.07445	1.3
190.98669	2.4
191.02383	2.1
191.04021	5.1
191.07726	1.6
196.04712	1.3
197.03029	3.3
197.06601	4.3
204.10822	14.7
205.30038	1.2
208.99669	1.2
214.05670	3.5
214.07454	3.6
214.09227	26.8
215.00429	1.9
215.04015	11.6
215.07524	5.8
221.05070	1.6
232.10330	52.3
233.05087	22.7
233.08690	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
51.04569	0.9
52.40334	1.0
53.03936	3.2
55.01876	16.6
55.05514	72.3
55.53559	1.3
57.00157	1.1
57.03429	1.2
57.07055	1.4
59.04979	1.7
67.05509	25.0
69.03431	9.0
69.07068	15.2
71.04996	69.5
71.15060	2.2
76.55739	1.2
79.05496	21.5
81.03433	1.5
81.06601	2.0
81.07063	31.5
83.04990	6.6
83.08624	47.5
83.09129	2.6
85.06556	6.1
87.04472	11.1
87.33266	1.3
91.05477	9.6
93.06480	1.8
93.07044	18.9
95.04949	3.0
95.08620	10.4
97.06534	100.0
97.10171	64.5
101.09663	3.4
102.74809	1.1
105.07016	4.4
105.36009	1.4
107.04949	4.9
107.08601	24.3
109.06495	1.9
109.10164	16.4
111.08099	3.2
117.07013	5.3
119.08562	2.0
121.06516	1.9
121.10147	3.8
125.09635	40.8
129.07014	1.8
131.08540	3.3
133.10173	5.6
135.08047	5.0
135.11720	6.6
147.11656	2.0
149.13226	3.0
151.03848	2.5
153.09096	2.2
159.11667	6.0
167.07048	4.4
171.10114	1.6
177.12700	6.3
180.09467	1.3
182.84868	1.2
186.09854	1.3
189.11191	4.8
195.13823	43.1
213.05489	1.8
213.09125	3.6
213.14857	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03939	4.0
55.01868	8.5
55.05274	2.1
55.05516	29.1
57.07050	2.3
65.03959	2.5
67.05519	14.4
69.03424	7.4
69.07078	22.5
71.01372	2.0
71.04991	17.1
71.49466	3.5
74.32262	1.6
79.05509	21.8
81.03435	2.8
81.07062	28.5
83.08624	22.8
85.06539	5.9
87.04469	2.0
91.05482	8.3
93.07054	25.6
95.04972	11.3
95.08617	39.6
97.02878	3.7
97.06547	22.2
97.10176	22.6
98.97610	2.4
99.08094	30.0
103.05479	4.6
105.07021	6.4
107.04964	42.9
107.08599	46.8
107.20914	2.0
109.02891	5.9
109.06521	4.2
109.10168	15.5
111.08090	17.1
111.11751	2.9
113.09664	4.3
115.05459	2.8
117.07007	3.1
119.08564	2.9
121.06497	4.0
121.10150	65.8
123.04459	5.3
123.11694	5.1
125.02319	4.6
125.05922	3.8
125.09637	14.4
127.03926	3.3
128.06223	6.7
129.07013	5.5
131.08560	2.5
133.02843	7.6
135.08133	4.6
135.11685	16.0
137.13255	8.5
139.11234	3.3
142.07779	4.0
143.08636	1.9
149.06027	6.0
149.13226	8.0
151.03911	23.0
152.06300	2.8
153.05545	4.2
157.06549	6.5
157.10124	6.3
161.23274	1.9
163.07538	8.0
167.05878	2.7
167.07123	26.3
167.08543	5.8
173.02420	4.5
177.05463	3.0
177.12842	2.8
177.16400	100.0
178.16820	3.9
184.05159	3.9
185.05917	3.2
185.09647	7.1
195.06419	3.8
195.08090	6.9
195.10066	3.5
195.13765	9.6
195.17480	11.4
198.06720	3.9
213.05428	16.2
213.09145	21.1
213.11002	3.5
213.12914	4.4
213.14862	17.5
213.16579	3.2
213.18410	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03945	1.2
53.42847	0.9
55.05513	19.9
57.03428	2.7
57.07080	10.2
59.74623	0.9
67.05515	6.0
69.03408	1.5
69.07072	8.0
79.05492	6.2
81.07075	6.7
83.04996	9.9
85.06544	5.8
88.07638	2.3
91.05477	6.3
93.07056	14.5
95.04943	2.0
95.08612	14.0
97.06538	7.6
98.21545	2.1
99.25967	1.0
103.05499	1.0
105.07038	6.5
107.04935	2.0
107.08599	20.6
109.06544	5.0
109.10144	3.5
111.04449	100.0
111.08073	4.3
113.06031	2.2
117.07022	2.5
119.08622	3.0
121.06511	4.1
121.10165	4.3
122.07275	1.9
125.05996	30.9
125.06873	1.9
127.07579	3.2
128.06255	1.4
129.07014	1.8
130.07793	2.4
131.08545	1.0
135.08061	17.0
135.11696	22.7
137.13266	1.3
139.07558	3.2
139.40765	0.9
142.07759	2.1
143.08574	5.0
145.10135	18.4
151.70891	0.9
153.12743	5.7
155.08592	1.5
156.09395	1.5
157.10120	6.0
163.11189	20.3
171.11705	3.5
181.12251	43.3
183.11559	1.1
185.13257	2.0
195.13803	4.4
200.00328	1.0
213.09109	1.0
213.12744	3.1
213.16420	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03920	2.7
55.01874	18.9
55.05512	67.6
57.03425	2.5
57.07062	1.8
67.05505	38.0
68.74085	1.8
69.03415	6.2
69.07067	20.1
70.06565	1.9
70.77681	4.2
71.04995	64.1
77.11810	1.9
79.05077	2.6
79.05495	34.4
81.03419	4.3
81.06596	3.0
81.07055	52.6
83.04985	18.8
83.08158	3.2
83.08616	44.4
85.02883	3.0
85.06533	9.0
87.04464	7.8
91.05469	14.4
93.06500	1.9
93.07047	31.5
95.04964	6.0
95.08603	18.1
97.06532	100.0
97.10167	51.5
98.97595	3.9
101.09624	1.8
105.07014	9.1
107.04967	19.8
107.08601	30.8
108.29830	1.6
109.06521	5.0
109.10154	16.1
111.08081	5.1
113.06020	2.6
117.07017	9.7
119.08550	3.2
121.06509	5.3
121.10120	7.2
123.08075	3.0
123.11702	2.0
125.06033	2.6
125.09631	31.8
129.06990	2.8
131.08556	6.7
133.10104	8.0
135.07100	1.8
135.08003	8.7
135.11694	12.8
142.07864	1.8
147.11667	5.2
149.05933	2.8
149.09598	2.9
149.13275	11.6
151.03864	7.1
153.09131	2.5
157.06540	1.8
157.10184	2.1
158.27634	1.8
158.99651	2.5
159.11630	9.2
160.44272	1.9
167.07132	9.5
167.08388	2.5
167.14317	2.5
177.12773	9.0
182.46512	1.7
189.11212	6.7
195.06429	2.8
195.13805	47.8
213.05547	3.4
213.09134	7.7
213.12926	2.7
213.14841	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03964	2.2
54.94699	0.7
55.01889	1.4
56.96582	0.9
65.03941	0.8
67.05525	2.5
69.03458	0.7
70.73312	1.3
77.03933	1.1
78.04733	2.6
79.05500	14.0
81.03413	1.1
81.07076	3.1
83.05000	1.0
84.43251	0.8
88.07666	0.9
91.05477	8.5
93.07043	6.9
95.04974	8.3
95.08628	1.3
97.06564	1.3
97.10154	0.7
98.97569	4.7
103.05486	11.1
105.03410	1.0
105.04508	1.2
105.07037	10.8
106.04210	1.8
107.04958	69.4
107.08601	15.5
108.05299	0.7
109.02873	4.1
109.06518	3.4
115.05474	3.7
116.98641	1.6
117.07027	1.5
119.04938	0.9
119.08575	4.4
120.05719	2.0
121.05690	0.8
121.06490	3.6
121.10146	15.3
121.10944	1.3
122.03725	0.8
123.04437	8.9
123.08064	5.9
124.04368	0.7
124.05229	3.1
125.02357	3.1
125.06023	1.9
125.09642	1.0
129.06990	0.8
131.04926	2.5
131.08565	3.9
133.02882	1.5
133.06523	0.9
133.10159	0.8
134.03682	0.8
135.04414	1.2
135.08058	16.9
137.05986	2.0
139.07492	1.1
145.07617	1.1
147.08052	1.6
149.05980	3.5
149.09630	13.8
151.03923	9.0
151.07585	0.9
152.04742	1.6
152.06088	0.8
153.05502	2.4
153.09122	1.7
154.06311	3.0
158.99657	1.2
163.03894	0.9
163.07553	25.1
165.09125	1.0
167.07043	100.0
167.10715	2.3
168.07401	0.8
169.08594	2.6
177.05473	2.1
177.09100	17.0
180.07819	3.1
181.08525	1.0
185.09509	0.8
195.06497	2.1
195.08327	1.5
195.10159	19.2
195.11906	1.4
213.05551	2.0
213.09253	1.7
213.11194	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.61697	2.0
53.03946	5.6
59.32993	1.8
67.05512	4.9
69.23030	4.5
69.23429	17.6
69.93709	1.9
71.01352	3.1
71.05052	1.6
73.98190	1.8
76.18107	1.8
79.05506	26.6
81.03418	4.9
81.07051	3.0
91.05492	3.5
93.07053	3.7
95.04972	32.6
97.02893	4.2
98.20728	3.3
103.05479	7.5
105.03419	3.1
105.04507	2.8
105.07040	2.3
107.04964	100.0
109.02900	12.3
109.06541	5.1
121.06511	8.3
123.04459	9.6
125.02380	14.1
125.05997	2.8
131.04913	3.8
133.02859	11.8
135.04475	2.4
149.05988	10.8
151.03926	65.3
153.05453	11.5
177.05501	6.1
192.36310	2.0
195.06573	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	213.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
51.75790	1.7
53.03947	5.7
55.01863	6.4
55.05515	11.0
57.07069	4.0
65.03941	2.5
67.05505	14.9
69.03445	4.5
69.07072	21.5
70.06579	1.5
71.04978	10.7
77.03889	2.6
79.05501	30.8
81.03416	5.1
81.07056	26.3
83.08624	10.6
85.06540	4.8
88.07600	2.5
91.05496	9.1
93.07052	20.4
95.04978	27.6
95.07996	2.1
95.08607	35.3
95.09179	2.5
95.41731	1.5
96.08924	1.5
97.02896	3.5
97.06519	4.2
97.10165	7.4
99.08089	26.5
103.05481	8.9
105.03418	3.0
105.04527	2.2
105.07046	7.1
107.04958	100.0
107.08595	35.1
109.02867	13.0
109.06528	3.5
109.10151	21.4
111.08075	15.2
113.09680	2.4
121.06495	8.6
121.10145	58.0
123.04407	9.0
123.11704	5.5
123.15598	1.5
125.02349	10.9
125.05992	4.0
125.09624	6.6
125.13272	2.8
127.03968	2.7
128.06224	4.4
129.07025	4.5
131.04933	5.1
133.02863	8.7
135.04462	2.5
135.08086	5.1
135.11671	15.6
137.13226	8.5
139.11205	2.7
141.05475	2.0
141.07082	1.7
142.07784	3.4
143.08574	3.3
149.06000	10.9
149.13303	4.0
151.03912	47.9
152.06184	1.7
153.05460	9.4
153.12762	3.9
157.06491	3.5
157.10121	4.0
163.07532	8.1
165.06914	1.8
167.03525	2.9
167.04895	2.2
167.07065	37.8
167.08452	3.0
169.05042	1.7
170.07233	2.1
171.11678	2.6
177.05486	8.8
177.16391	81.0
184.05161	3.3
185.05920	2.1
185.09621	7.2
185.13197	2.3
195.06523	5.4
195.08148	4.2
195.10063	2.6
195.17441	14.8
198.06889	2.1
213.05440	8.9
213.07463	2.3
213.09164	14.4
213.11066	3.8
213.12935	3.6
213.16368	4.8
213.18564	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03940	5.9
55.01873	2.9
55.05509	9.4
57.03435	3.3
57.07060	3.0
59.04996	3.2
61.41973	1.1
64.24598	1.2
64.31147	1.2
65.03934	2.4
65.77913	1.6
66.19875	1.1
67.05501	18.6
68.99794	1.8
69.03421	3.7
69.07073	15.3
69.98632	1.1
70.63777	2.7
70.64101	1.3
71.04994	8.8
77.03902	1.1
78.04716	2.4
79.05497	11.1
81.03421	4.3
81.07058	21.1
83.04982	10.2
83.08616	4.9
85.02898	2.2
85.06538	4.9
89.95947	1.2
90.43764	1.2
91.05478	27.9
93.07045	30.0
95.04979	28.9
95.08064	2.2
95.08612	26.4
97.02901	1.8
97.06541	4.9
97.10130	1.5
99.04463	5.5
99.08096	2.8
103.05495	9.1
105.04517	2.0
105.07043	20.2
106.04182	2.7
106.08755	1.2
107.04936	2.4
107.08597	19.8
109.02898	3.5
109.06519	8.9
109.10162	31.1
110.03646	1.5
111.08093	4.6
113.06016	4.1
116.34968	1.2
117.03434	1.2
118.04091	1.4
119.04939	13.6
119.08590	21.7
121.02914	1.3
121.06512	14.3
121.10170	4.9
123.00802	2.3
123.04436	20.5
123.08076	3.7
123.11678	7.0
125.02358	100.0
125.09642	3.1
127.03918	10.6
131.08563	2.3
133.06493	3.8
133.10143	46.7
135.04317	1.3
135.11713	19.0
136.05237	1.4
137.05980	22.8
137.09622	10.1
139.03903	1.5
140.04713	2.1
141.05475	2.3
147.04430	14.3
147.11705	8.6
148.05225	1.3
149.05989	21.0
149.39107	1.3
151.03949	10.4
151.07558	10.9
151.11221	15.6
153.05504	1.3
155.03401	24.4
155.07057	4.8
155.08536	1.1
155.10680	3.8
161.05966	2.9
165.05553	2.9
165.12741	1.8
165.16422	3.4
166.06261	4.0
167.03400	3.5
167.07051	63.2
168.07411	2.6
169.04953	4.1
170.05756	56.6
175.11168	2.4
175.14847	25.0
179.07051	23.7
180.07841	1.9
181.08614	14.7
181.10095	2.3
183.06609	4.2
193.04993	1.9
193.08640	1.7
193.12253	5.6
193.15913	6.0
195.52835	1.1
196.07352	2.1
211.06047	3.7
211.07928	1.9
211.09615	7.3
211.13306	3.1
211.16953	17.0
223.90831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	2.6
55.01865	4.4
55.05513	22.2
57.03427	6.1
57.07072	4.9
59.04991	2.0
67.05512	36.6
69.03448	7.4
69.07074	20.7
71.04990	9.3
71.08619	2.9
71.09222	2.7
71.09538	1.3
76.12775	1.2
78.04722	1.7
79.05499	14.1
81.03410	4.1
81.06592	2.6
81.07066	49.8
83.04998	12.8
83.08626	11.6
85.06556	7.2
88.87966	1.3
91.05486	17.7
93.07048	23.8
95.04984	8.8
95.08620	65.0
97.06539	11.7
97.10146	3.5
98.23396	1.5
98.24055	1.6
99.08108	6.6
105.07042	24.2
107.04948	1.9
107.08609	30.9
109.06538	15.9
109.10169	100.0
111.08091	39.2
112.97272	1.4
113.06049	2.6
113.09652	1.7
115.07526	1.5
119.04971	3.4
119.08598	44.5
121.06536	3.5
121.10159	26.3
122.03560	2.1
122.07299	1.9
123.04426	5.6
123.08085	43.3
123.11724	22.0
125.09637	13.1
127.07517	1.6
127.11189	3.5
130.06580	1.5
131.08562	1.5
133.06487	4.7
133.10150	38.5
135.08054	1.7
135.11708	46.9
137.05995	36.1
137.06966	2.9
137.09630	87.6
137.13281	5.9
138.10434	7.6
139.11198	5.3
141.09067	1.5
144.08124	4.5
147.04399	2.8
147.11696	17.9
149.05994	1.7
149.09624	2.0
149.13298	12.7
151.03896	4.1
151.07545	5.7
151.11203	5.2
151.14824	8.5
157.10124	2.9
161.05975	1.9
163.11186	3.7
163.14832	1.5
165.05524	2.3
165.09155	2.5
165.12764	9.3
165.16383	4.1
167.07062	28.4
175.11189	3.1
175.14851	49.0
179.07071	10.9
193.08609	3.1
193.12257	1.6
193.15907	31.0
211.07588	2.5
211.09521	3.3
211.15001	1.5
211.16962	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03951	1.2
55.01878	2.5
55.05516	9.6
57.03436	3.5
57.07084	2.1
59.04997	4.9
65.03932	0.9
66.45591	0.5
67.05511	8.9
69.03421	3.0
69.07076	10.7
71.05000	20.2
71.48321	0.6
78.92358	0.6
79.05496	10.2
81.03418	10.6
81.07062	19.3
81.07539	1.2
83.04985	6.4
83.08626	7.9
85.02932	0.7
85.06551	1.7
88.11537	0.6
91.05487	12.9
93.07044	15.2
94.04192	1.2
95.04977	7.3
95.08611	17.8
95.34743	0.5
97.02883	0.9
97.06534	7.7
97.10104	1.3
99.04473	2.4
99.08090	3.1
103.05505	0.7
103.43898	0.6
105.03430	0.6
105.07035	10.0
107.04958	2.0
107.08607	11.3
109.06535	4.9
109.10170	6.5
111.04458	0.8
111.08101	3.0
113.09608	1.1
115.05458	1.2
115.07586	3.5
117.06981	0.8
119.04942	5.0
119.08585	12.0
121.06519	2.4
121.10146	7.1
122.03657	5.1
123.04464	4.3
123.08120	3.4
123.11713	24.9
125.06024	1.1
125.09641	1.7
127.07547	1.5
129.07027	1.5
131.08559	1.5
133.06529	3.2
133.10136	10.1
135.11699	21.6
135.12729	1.2
137.05984	100.0
137.09531	3.4
137.13208	1.6
138.06293	1.9
141.09077	0.8
141.12753	2.0
144.08116	0.7
145.10025	0.6
147.04425	7.7
147.11726	4.6
149.05992	1.3
149.09650	1.2
149.13264	3.3
151.03911	2.0
151.07573	5.7
151.11151	0.9
153.05507	3.2
153.06642	0.7
153.12761	5.4
154.06218	1.6
155.08539	1.5
155.10667	3.1
157.10139	1.8
161.06000	1.4
163.03876	1.0
165.05528	1.3
165.09175	0.6
165.12749	0.7
167.07082	8.4
167.14299	0.9
168.07677	0.7
169.10144	1.8
175.11212	1.8
175.14848	12.4
178.06102	1.0
179.07074	11.0
181.08638	1.3
181.10182	1.1
183.06580	0.7
183.11760	1.0
193.05029	0.7
193.08652	1.5
193.12245	4.1
193.15915	4.5
196.12450	0.8
205.98785	0.8
211.05806	0.7
211.07631	1.5
211.09625	8.4
211.13167	1.6
211.14842	2.4
211.16919	21.3
212.17337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03949	1.4
53.66081	0.9
55.01875	1.1
55.05274	1.3
55.05515	16.1
57.03414	1.4
57.07073	5.0
59.04991	2.1
65.03934	1.4
66.56437	1.1
67.05508	30.7
69.03423	10.7
69.07070	18.6
71.03246	1.8
71.03578	1.2
71.04981	3.3
71.08622	1.8
79.05496	7.6
81.03410	1.0
81.06599	1.7
81.07060	32.2
83.04978	14.4
83.08620	8.9
85.06530	4.4
91.05508	5.8
93.07049	12.1
93.16626	1.0
95.04945	2.7
95.08615	39.1
97.06516	1.5
97.10192	2.2
99.08105	3.3
105.07049	8.6
107.08598	26.7
109.06520	12.6
109.10162	100.0
111.08067	3.2
113.09608	1.9
119.08589	23.3
121.10154	13.2
123.04425	2.8
123.08068	16.0
123.11710	8.3
125.09644	2.8
133.10136	20.0
135.11703	64.2
137.06009	4.8
137.09634	15.9
138.10385	1.1
139.11209	2.8
147.11714	1.9
149.13275	6.5
151.11200	9.1
151.14796	10.7
153.12706	2.9
165.16409	2.6
167.07022	3.3
175.14825	17.1
177.40025	1.0
179.07047	5.5
182.09827	1.0
193.15897	15.9
202.75270	1.1
211.16966	2.3
216.74275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.06666	0.9
55.01863	3.6
55.05503	4.0
57.03442	1.0
65.03938	2.4
67.05508	7.7
68.99816	1.0
69.03433	2.1
69.07087	5.5
70.29362	2.1
70.29733	1.6
71.05006	2.6
79.05501	9.7
81.03419	2.0
81.07059	14.5
82.48632	1.1
83.04977	3.5
83.08631	2.8
85.06579	1.1
90.00671	1.1
91.05483	12.7
93.07045	12.4
95.04984	8.7
95.08609	19.6
97.06538	10.8
99.08111	3.4
103.05460	6.0
105.07047	20.2
107.04961	2.5
107.08602	14.2
108.05736	1.1
109.02879	0.9
109.06525	3.6
109.10164	10.5
110.03635	2.8
111.04395	1.0
111.08039	1.2
113.09651	3.2
117.06995	1.4
118.04149	2.8
119.04971	7.2
119.08588	34.4
121.06529	3.8
121.10152	2.0
123.04436	50.0
123.08105	5.8
123.11729	4.7
133.06514	5.9
133.10141	52.5
135.08054	1.5
135.11696	19.7
137.05992	11.2
137.09612	4.2
140.23904	1.0
147.04411	5.3
147.11740	4.7
149.05956	3.3
149.13225	1.1
150.06786	3.7
151.03929	5.1
151.07549	29.6
151.11250	1.7
151.14835	1.6
153.05498	1.3
161.05980	1.2
161.07149	2.0
164.04706	1.0
165.09090	4.4
165.16380	1.0
167.07043	11.1
175.14842	41.9
175.90260	1.1
176.15154	1.5
179.07043	100.0
180.07428	1.4
181.08603	1.8
193.08653	9.4
193.12248	1.6
193.15906	3.5
211.07721	1.0
211.09642	12.7
211.11345	1.1
211.13136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.36837	0.7
53.03953	3.4
53.98881	0.6
55.01871	3.8
55.05514	25.2
56.30143	0.6
57.03440	10.6
57.07083	1.2
58.61378	0.7
59.04994	1.0
59.10069	0.7
62.01618	0.6
65.03937	1.5
67.05509	21.3
69.03435	5.9
69.07076	6.7
69.45525	1.4
69.45935	3.5
70.80928	0.8
71.04995	3.0
77.03923	0.7
79.05013	0.9
79.05496	25.5
81.03423	57.4
81.07060	26.0
83.04983	31.0
83.08624	19.8
85.02888	0.9
85.06557	1.3
85.60183	0.6
91.05486	27.7
92.23520	0.6
93.07047	14.1
94.04192	1.7
95.04974	22.6
95.08620	12.0
97.02892	2.7
97.06553	5.2
97.10171	4.7
99.08086	1.7
103.05490	0.9
105.04493	0.9
105.07036	20.5
107.04960	4.9
107.08603	6.0
109.06536	7.5
109.10165	3.1
111.04434	2.6
111.08086	6.5
113.05995	1.6
115.05488	2.6
117.07030	1.3
119.04958	4.6
119.08591	14.8
121.06504	2.6
121.10152	6.5
122.03661	5.5
123.04456	1.6
123.08079	4.6
123.11692	1.5
125.05975	1.3
125.09637	2.4
129.07037	6.8
131.08585	6.4
133.06470	4.3
133.10138	8.1
135.08032	0.9
137.05986	100.0
137.13257	1.5
138.06328	1.2
139.11201	0.9
142.07793	1.8
144.08113	0.8
145.10156	0.8
145.96745	0.8
147.04416	8.8
147.08047	3.3
147.11685	10.7
149.06004	0.9
149.09634	4.5
151.03926	0.8
151.07545	7.1
151.11131	0.8
153.05510	2.7
154.06300	1.3
155.08559	1.1
157.08882	0.5
157.10126	10.3
161.06001	0.7
163.04036	0.7
165.05481	1.2
165.09160	0.8
165.12787	3.0
167.07080	3.8
167.08430	0.8
167.10683	2.4
168.09409	0.9
169.10120	1.9
175.11194	12.8
179.07060	8.8
193.08614	1.5
193.12250	22.9
196.12584	1.3
211.05890	0.8
211.07770	1.4
211.09663	6.3
211.11322	1.5
211.13301	11.7
211.14938	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03949	7.0
55.01880	6.9
55.05516	47.1
56.96564	1.9
57.03444	12.9
57.07059	1.6
59.05009	2.8
63.31825	1.1
67.05508	37.8
69.03429	11.3
69.07066	14.5
70.59372	1.0
70.74207	2.5
71.04982	5.2
73.06533	1.8
74.99294	1.1
79.05024	1.2
79.05499	42.6
81.03423	100.0
81.07059	43.8
83.04987	55.6
83.08156	2.2
83.08626	34.8
85.02901	1.9
85.06555	3.7
91.05486	43.3
93.07044	23.5
95.04976	34.0
95.08611	18.7
95.18008	1.2
97.02886	4.9
97.06526	8.0
97.10166	9.6
98.21481	1.3
105.04543	1.3
105.07045	31.0
107.04967	8.7
107.08611	9.5
109.06527	9.6
109.10159	5.3
111.04469	3.2
111.08098	11.0
113.06046	1.5
115.05434	1.8
117.07027	3.3
119.04940	3.8
119.08588	22.5
121.06523	5.0
121.10146	9.3
122.03672	3.1
123.04441	3.6
123.08118	6.9
123.11711	1.6
125.06056	1.9
125.09653	2.7
129.06998	11.6
131.08588	12.0
133.06500	5.9
133.10138	13.0
137.05988	61.7
137.09631	3.8
139.11188	1.2
142.07758	3.8
145.10089	1.3
147.04387	4.3
147.08092	2.8
147.11687	17.0
149.05978	1.4
149.09656	8.4
151.03947	1.1
151.07562	4.7
151.11182	1.8
153.05457	1.5
154.09798	1.4
155.08565	3.0
155.11601	1.2
157.10135	15.2
165.12790	4.5
167.07065	21.1
167.10692	2.1
169.10129	3.2
175.11195	12.9
178.03177	1.4
179.07082	6.8
181.10110	2.0
183.11833	1.7
193.08609	1.4
193.12254	37.3
196.12379	1.4
211.07756	2.2
211.09628	5.8
211.11404	1.9
211.13191	16.8
211.14879	2.6
211.16594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03948	6.1
53.49417	1.0
55.01867	5.3
55.05514	44.5
56.05023	1.9
57.03443	8.9
59.05003	1.5
63.37255	1.1
65.03934	2.2
67.05508	34.2
69.03432	10.7
69.07063	13.8
71.01338	1.2
71.04997	6.0
71.25043	1.1
71.33173	1.9
71.33521	1.4
77.03931	1.5
77.53416	1.3
78.04707	1.4
79.05495	36.7
81.03420	100.0
81.06596	2.2
81.07059	41.6
82.79925	1.0
83.04983	47.6
83.08617	31.3
85.02882	1.8
85.06525	3.6
90.51685	1.1
91.05482	41.4
93.07050	18.2
95.04377	2.4
95.04968	34.2
95.08611	15.5
97.02884	4.0
97.06520	5.9
97.10172	6.2
99.08080	2.7
100.53253	1.1
101.09657	1.4
103.05467	1.5
105.04525	1.8
105.07040	29.5
105.52176	1.0
107.04969	9.7
107.08601	13.3
109.06516	8.4
109.08468	1.6
109.10173	7.8
111.04443	3.8
111.08086	12.6
115.05399	2.7
117.07027	2.1
119.04942	3.5
119.08589	20.7
121.06499	4.4
121.10143	8.7
121.89844	1.2
122.03618	2.1
123.04414	7.8
123.08051	5.8
123.11691	2.9
125.09624	3.2
128.06209	1.5
129.07014	9.9
131.08580	11.2
133.06485	7.4
133.10143	12.7
135.04404	1.2
135.11700	5.1
137.05984	38.5
137.09579	4.4
142.07784	3.9
144.08063	2.6
145.10101	1.6
147.04388	4.3
147.08064	3.4
147.11693	16.2
149.05995	5.8
149.09636	7.1
150.06770	1.2
151.03889	5.0
151.07536	3.9
155.08513	1.6
157.10120	13.5
163.14850	3.0
165.05565	2.7
165.09082	2.0
165.12755	2.6
167.07042	24.0
168.05597	1.4
169.10118	1.6
174.26955	1.2
175.11189	15.9
175.14767	2.2
179.07014	14.0
179.08829	2.9
181.08606	1.8
188.62753	1.2
193.08594	2.7
193.12241	31.9
193.15851	1.5
203.10724	1.3
211.07729	2.2
211.09645	4.8
211.11377	2.1
211.13210	11.9
211.14919	1.9
211.16908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03955	5.5
53.20928	0.9
55.01868	3.6
55.05517	41.0
57.03444	8.2
57.07064	2.1
59.04989	2.1
65.03922	2.4
67.05512	30.1
69.03433	8.6
69.07078	9.2
71.04993	5.4
71.49020	1.9
73.02932	1.4
79.05502	34.8
81.03427	100.0
81.06596	2.4
81.07065	38.1
83.04501	2.8
83.04988	47.9
83.08155	2.1
83.08627	32.3
85.02934	1.3
85.06559	2.0
85.70105	1.2
91.05492	36.5
93.07050	19.1
95.04981	35.2
95.08617	14.0
97.02876	3.8
97.06521	3.6
97.10176	6.3
99.08081	1.5
105.04497	2.2
105.07043	24.1
107.04969	6.9
107.08604	10.2
109.06521	5.8
109.10123	2.9
111.04440	3.5
111.08104	9.8
114.91368	1.0
115.05466	2.5
117.07045	1.4
119.04924	2.1
119.08591	19.4
121.06510	3.4
121.10162	9.5
123.08051	2.9
123.11732	1.3
125.09630	2.9
128.06206	1.2
129.07021	12.2
131.08575	13.8
133.06529	3.3
133.10120	10.0
137.04910	1.3
137.05995	22.7
137.09599	2.6
142.07773	2.4
145.10149	1.7
147.04381	2.6
147.08060	2.7
147.11716	13.2
149.09651	6.4
155.08569	1.5
157.10143	18.6
165.12766	2.5
169.10159	1.8
175.11185	15.3
182.10944	1.3
193.12251	31.4
196.12393	1.2
211.09496	1.7
211.13283	13.8
211.14929	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03946	4.8
55.01872	6.2
55.05514	43.3
56.05030	1.3
57.03437	8.4
57.07057	1.4
57.51329	0.8
59.04994	2.0
65.03937	1.4
67.05507	31.4
69.03439	8.7
69.07071	10.8
69.48653	6.3
71.04996	4.3
77.03900	1.1
79.05496	34.6
81.03419	100.0
81.07058	35.4
83.04983	52.1
83.08624	30.7
85.02907	1.4
85.06547	2.4
85.52306	0.8
91.05483	36.6
93.07042	18.8
95.04970	33.8
95.08608	13.5
97.02888	4.2
97.06548	5.5
97.10155	7.5
98.20838	1.3
99.04430	1.4
99.08079	1.2
105.04517	1.5
105.07037	26.3
107.04961	7.9
107.08595	7.7
109.06526	6.6
109.10159	3.5
111.04439	3.4
111.08078	12.1
115.05461	1.5
117.07034	2.1
119.04937	1.9
119.08578	19.7
121.06458	2.1
121.10149	6.2
123.08066	4.7
123.11756	1.4
125.09626	1.5
128.06165	1.0
129.07005	11.7
131.08568	12.7
133.06526	4.5
133.10149	12.2
135.08102	1.0
135.11699	1.2
137.05989	28.5
137.07066	1.5
137.09644	2.9
142.07780	3.4
145.10210	1.2
145.96635	1.2
147.04431	2.2
147.08044	4.0
147.11685	14.5
149.09645	7.7
151.07574	1.7
151.11110	1.1
155.08583	1.1
157.10149	16.3
165.12732	2.4
167.08530	1.1
169.10165	2.4
175.11191	15.9
179.07106	2.1
183.11743	1.2
193.10454	1.7
193.12253	32.8
194.12633	1.0
196.12471	1.2
205.98790	1.1
211.09435	1.2
211.11290	1.4
211.13286	15.3
211.14876	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03946	7.3
55.01861	5.8
55.05516	36.5
57.03202	1.3
57.03444	16.2
57.07063	1.5
57.74012	1.0
59.04994	1.4
63.59712	1.4
65.03946	2.6
67.05507	31.9
69.03438	13.1
69.07064	10.5
69.61581	8.9
71.04998	7.9
72.69043	1.4
77.03893	1.5
78.04693	1.4
79.05025	1.3
79.05496	33.0
81.03426	84.8
81.07060	35.1
83.04496	2.4
83.04987	45.2
83.08628	28.7
85.02904	4.2
85.06548	13.9
91.05489	40.6
93.07054	21.0
94.04190	1.8
95.04975	39.1
95.08620	16.6
97.02898	8.1
97.06526	5.8
97.10165	8.2
99.04440	2.5
103.05468	3.4
105.04550	1.5
105.07038	28.7
106.04148	1.4
107.04963	9.2
107.08595	13.6
109.02898	2.2
109.06531	11.6
109.10159	8.2
111.04425	2.8
111.08092	22.1
115.05424	2.3
119.04942	7.3
119.08581	16.9
121.06500	6.2
121.10152	7.6
122.03613	6.4
123.04449	14.1
123.08073	7.6
123.11746	3.3
125.09621	3.6
127.03921	39.7
127.07589	1.8
129.06999	9.4
130.06538	1.4
131.08580	11.0
133.06520	8.5
133.10144	11.2
135.11671	4.0
137.05989	100.0
137.09586	4.4
138.06337	1.5
141.05457	1.6
142.07701	3.3
144.08086	2.6
147.04388	8.6
147.08063	3.6
147.11699	14.1
149.05984	4.4
149.09668	5.8
151.03893	7.1
151.07576	11.2
151.11147	1.5
153.05463	2.9
153.07027	1.9
154.06239	1.6
154.07683	1.6
155.08560	2.1
157.10132	11.1
158.33482	1.3
161.05873	1.7
163.03865	2.2
165.05496	3.6
165.06883	1.3
165.12756	3.0
167.07060	25.5
168.09329	1.6
169.10110	5.3
175.11186	13.9
175.14873	2.3
178.08044	1.1
179.07054	28.9
179.08940	1.9
180.07715	1.5
181.08595	4.3
181.10144	2.5
183.06551	2.4
183.07994	2.5
193.08623	4.7
193.10446	1.5
193.12259	28.0
193.15997	1.4
196.12508	3.3
205.98866	1.4
211.07550	5.3
211.09621	12.0
211.11458	2.9
211.13026	9.3
211.15161	7.3
211.16846	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	211.0965
Annotation	3,4-Dimethoxymethylbenzoate
Peak:m/z	Relative Intensity
51.02401	0.3
53.03940	0.3
55.01883	0.4
55.05506	1.1
56.96566	0.6
57.03434	0.9
61.02276	0.3
65.03940	0.5
66.04760	0.4
67.05491	1.0
69.07047	0.6
70.06569	0.3
70.74249	0.8
79.05508	2.0
80.50468	0.3
81.03426	2.1
81.07040	1.7
83.04967	1.0
83.08611	0.6
91.05483	5.4
93.07063	0.8
94.04177	1.5
95.04961	1.3
95.08614	1.0
97.99178	0.3
103.05462	0.9
105.03416	0.3
105.07027	3.2
107.04940	0.9
107.08613	0.4
109.06519	2.4
111.08054	0.4
115.05454	0.5
119.04939	4.1
119.08600	0.9
121.06490	1.0
121.46270	0.3
122.03635	5.1
123.04439	0.4
123.08064	0.9
126.26139	0.3
129.15363	0.3
133.06509	1.9
136.05209	0.4
137.05977	100.0
138.06332	1.4
139.03883	0.7
145.96535	0.4
147.04419	6.4
147.11691	0.6
149.05954	0.6
151.07545	4.9
153.05486	2.0
154.06285	1.2
155.08548	0.6
157.10127	0.5
161.05966	0.7
163.03920	1.1
163.97725	0.3
169.10136	0.5
173.12367	0.3
175.11272	0.5
178.06245	1.4
179.07048	5.4
193.08540	0.5
193.12311	0.9
196.12445	0.4
205.98740	0.6
211.07645	0.4
211.09642	7.0
211.13092	0.6
211.14825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02377	0.7
53.03937	1.7
55.01865	1.9
55.05314	0.5
55.05516	5.2
57.03439	2.8
57.07064	2.1
58.59915	0.4
59.05010	2.9
65.03936	1.4
67.05511	8.9
68.99805	0.5
69.03419	2.2
69.07072	6.8
71.04997	10.5
71.49501	0.6
79.05495	6.0
81.03422	2.5
81.06594	0.7
81.07063	11.9
83.04985	3.4
83.08616	3.6
85.06536	2.9
90.33986	0.6
91.05488	10.2
93.07051	8.9
94.04195	1.9
95.04977	6.4
95.08610	14.2
97.06531	3.5
97.10165	1.5
99.04464	1.6
99.08109	3.1
103.05473	2.5
105.04516	0.7
105.07039	10.8
107.04961	2.1
107.08603	8.4
108.05716	0.7
109.02857	0.8
109.06532	5.3
109.10159	14.9
110.03692	0.7
111.04444	0.7
111.08100	1.3
113.09644	0.7
115.05470	0.8
115.07549	2.2
118.04150	1.7
119.04951	7.4
119.08585	7.5
121.02890	0.7
121.06506	2.3
121.10162	4.9
122.03667	5.4
123.04435	20.3
123.08092	5.5
123.11729	11.8
124.05206	0.7
125.09624	1.4
127.11096	0.6
127.20338	0.5
129.67148	0.5
133.06493	4.5
133.10135	6.9
135.04439	0.7
135.11703	17.7
136.05244	1.0
137.05984	100.0
137.09550	3.4
137.13295	1.1
138.06294	1.2
139.11192	1.1
141.09161	0.6
144.08113	2.2
147.04422	8.3
147.11655	1.5
149.05983	2.2
149.13242	2.7
150.06776	1.1
151.03925	4.1
151.07547	15.1
151.11160	1.2
151.14828	1.2
153.05505	2.5
153.12750	4.3
154.06232	1.2
155.10654	1.6
161.05983	1.2
161.07172	1.2
163.03984	1.0
165.05508	1.5
165.06902	0.7
165.09128	1.7
166.06277	0.6
167.07072	10.3
168.07907	0.6
168.77612	0.6
169.10109	0.7
175.14842	9.3
178.06274	1.4
179.07043	42.5
180.07542	1.0
181.08626	1.4
193.08649	3.9
193.12340	0.6
193.15854	3.6
211.07635	1.6
211.09654	12.9
211.11520	1.0
211.14996	0.9
211.16937	11.6
211.20403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.91517	0.3
55.01857	0.5
55.05507	2.0
56.96551	1.4
57.03424	1.1
62.60933	0.3
65.03928	0.6
67.05499	2.3
67.84211	0.4
69.03416	0.4
69.07053	0.8
70.54828	1.2
71.04984	0.4
76.51237	0.3
79.05502	2.2
81.03426	3.7
81.07053	2.3
83.04974	1.8
83.08612	1.5
85.06520	0.3
91.05479	6.2
91.68971	0.3
93.07030	1.3
94.04187	1.7
95.04952	2.0
95.08604	1.4
97.06514	0.5
103.05438	0.7
105.03380	0.4
105.07027	4.4
107.04953	0.7
107.08568	0.6
109.06516	3.0
109.10161	0.7
115.05449	0.9
119.04950	4.7
119.08573	1.1
121.06522	0.7
122.03653	5.3
123.04454	0.5
123.08046	0.5
125.05970	0.4
129.06961	0.5
133.06456	1.8
133.10123	0.9
137.05975	100.0
138.06290	1.5
139.04005	0.4
141.06961	0.5
144.08022	0.4
145.96634	0.5
147.04425	6.6
147.11671	0.8
149.05960	0.5
151.03906	0.6
151.07556	4.5
153.05469	2.5
154.06261	1.5
155.08578	0.9
157.10126	0.6
161.06042	0.7
163.03932	1.3
163.97699	0.8
165.05496	0.7
165.09126	0.4
167.07082	1.0
167.08473	0.5
169.10133	1.7
175.11189	0.6
178.06259	1.4
179.07047	5.7
181.10112	1.3
183.06474	0.4
183.11687	0.7
193.08557	0.5
193.12244	1.2
196.12471	1.6
205.40546	0.3
205.98810	0.7
211.05936	0.7
211.09615	5.9
211.11330	0.5
211.13126	0.7
211.14882	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	211.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01876	1.7
55.05518	8.6
56.96578	0.5
57.03444	3.7
57.07084	0.5
59.05014	0.3
65.03951	1.0
67.05512	8.7
68.59666	0.2
69.03434	2.2
69.07079	3.3
69.25714	1.9
71.01367	0.3
71.04981	1.3
73.02906	0.2
77.03932	0.2
79.05503	9.1
81.03428	20.5
81.07066	10.8
83.04991	10.2
83.08627	6.4
84.32974	0.2
85.02894	0.2
85.06562	0.9
85.94559	0.3
91.05491	11.4
93.07058	5.8
94.04198	1.8
95.04978	8.1
95.08622	4.4
97.02900	0.8
97.06565	1.6
97.10186	1.4
99.04449	0.4
99.08142	0.6
103.05476	1.0
105.03389	0.3
105.04498	0.3
105.07040	8.6
107.04966	2.7
107.08611	2.8
109.06528	4.2
109.10178	1.6
111.04460	1.0
111.08094	2.5
112.02950	0.2
113.05991	0.4
115.05482	0.8
117.07043	0.7
119.04964	4.8
119.07895	0.1
119.08598	5.1
121.06551	1.6
121.10168	2.5
122.03661	5.9
122.74868	0.2
123.04449	0.8
123.08080	2.1
123.11697	0.8
125.06007	0.7
125.09642	1.0
127.03941	0.3
127.67942	0.2
129.07018	2.2
131.08537	2.3
133.06517	2.6
133.10147	3.3
135.04410	0.3
135.11697	0.4
137.05992	100.0
137.13235	0.5
138.06372	1.3
138.07335	0.2
139.03902	0.6
139.11195	0.6
141.07019	0.3
142.07773	0.8
144.08089	0.4
145.10153	0.4
147.03242	0.4
147.04427	7.9
147.08095	0.8
147.11694	3.8
149.05994	0.7
149.09645	2.4
151.03894	0.3
151.06439	0.4
151.07558	4.8
153.05504	2.7
153.06804	0.3
154.06261	1.2
155.07315	0.2
155.08583	0.6
157.10149	3.1
161.05971	0.9
163.03943	0.9
165.05478	0.7
165.06975	0.4
165.09128	0.3
165.12762	1.3
167.07091	1.6
167.08382	0.3
167.10677	1.1
169.10172	0.9
175.11197	4.1
178.06270	1.0
179.07060	7.1
181.08553	0.5
181.10042	0.3
183.08099	0.3
183.11539	0.2
193.08607	0.7
193.12262	7.1
196.07263	0.3
196.12448	0.4
205.98732	0.6
211.05933	0.3
211.07718	0.6
211.09660	7.7
211.13289	3.9
211.14941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02396	0.7
52.14732	0.7
53.03940	2.4
55.01878	3.9
55.05500	3.4
57.03428	1.9
58.31683	0.7
64.36600	0.7
65.03927	1.2
67.05506	6.7
68.99779	1.4
69.03430	2.9
69.07058	2.3
69.87460	3.6
71.04973	1.4
75.08556	0.7
78.04705	1.1
79.05502	9.8
81.03441	3.5
81.07062	6.9
83.04997	4.9
83.08604	1.4
85.02911	1.1
85.06546	1.3
85.94704	0.8
91.04921	0.9
91.05482	17.2
93.07038	5.6
94.04219	0.8
95.04978	10.6
95.08610	5.5
97.02858	1.6
97.06536	7.1
99.04480	1.0
103.05486	4.7
105.03398	1.3
105.07042	13.7
106.04143	1.4
107.04981	3.9
107.08592	3.1
108.05744	1.3
109.02882	1.1
109.06523	4.2
109.10180	3.8
110.03667	2.3
111.04439	0.8
118.04152	2.7
119.04960	10.5
119.05859	1.0
119.06139	0.9
119.08600	4.0
121.02856	1.5
121.06512	4.8
121.10151	2.1
123.04438	54.2
123.08049	6.6
123.11730	1.4
125.02351	0.8
125.09626	1.6
127.03902	1.3
127.07529	0.9
131.08554	0.8
133.06508	5.9
133.10110	4.0
135.04393	2.2
135.08051	1.6
135.11700	2.7
136.05228	1.2
137.05984	18.7
137.09624	1.3
146.03671	0.7
147.04430	6.8
147.11674	1.2
149.05995	6.7
150.06779	4.0
151.03943	8.0
151.07553	29.5
151.11195	1.7
153.05489	1.0
161.05965	1.3
161.07114	2.5
163.11118	0.9
165.05481	1.9
165.06915	0.9
165.09123	3.3
165.12770	0.7
166.06189	1.2
167.07048	30.5
168.05740	1.2
175.11226	0.9
175.14874	2.0
179.07047	100.0
180.07588	1.7
181.08611	3.6
183.06586	1.0
183.08075	0.8
193.08643	7.9
193.12245	2.5
193.15860	4.8
204.70587	0.7
204.80063	0.9
207.58897	0.8
211.04211	1.0
211.05847	1.1
211.07608	3.3
211.09663	14.3
211.13159	1.5
211.16934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03944	1.1
54.28775	0.5
55.01867	1.6
55.05513	4.8
56.96552	0.8
57.03442	2.3
57.07067	0.7
59.05001	1.4
65.03944	1.1
66.04702	0.5
67.05514	4.6
69.03418	1.0
69.07076	3.4
70.40028	0.6
70.40374	1.4
71.04996	4.9
78.04733	0.6
79.05499	5.1
81.03430	5.3
81.07057	6.2
83.04983	2.8
83.08627	3.1
85.02928	0.7
85.06540	1.8
91.05488	9.4
93.07040	6.0
94.04168	1.1
95.04964	6.5
95.08607	5.7
97.02908	1.0
97.06545	2.6
97.10156	0.6
99.04449	1.2
99.08118	1.1
103.05468	1.8
105.04523	0.8
105.07037	6.8
106.04168	0.5
107.04946	1.5
107.08582	3.8
109.02948	0.5
109.06528	5.7
109.10138	2.6
111.04431	1.3
111.08112	1.7
115.05453	0.8
115.07549	1.2
119.04950	5.8
119.08595	3.6
121.06498	3.1
121.10155	2.2
122.03662	5.2
123.04444	5.8
123.08034	2.2
123.11707	5.8
125.05992	0.8
125.09622	0.9
127.03929	2.6
127.07587	0.8
129.07037	1.0
131.08562	0.9
133.06483	3.4
133.10143	3.3
135.04446	0.6
135.11716	6.1
137.05983	100.0
137.09621	1.6
137.13232	0.8
138.06303	1.2
139.03963	0.6
141.09024	0.6
141.12781	0.7
144.08127	0.8
147.04424	7.9
147.11717	0.9
149.05934	3.4
149.09648	0.7
149.13290	0.8
151.03900	1.9
151.06474	0.9
151.07562	7.4
151.11177	0.5
153.05478	1.9
153.12708	1.5
154.06213	1.1
155.08554	0.7
155.10719	0.7
157.10158	1.0
161.06000	1.3
163.03900	1.6
165.05527	0.9
165.09119	1.0
166.06262	1.1
167.07042	12.7
167.08447	0.8
169.04991	0.6
169.10167	1.5
175.11180	1.3
175.14848	3.8
178.06239	0.8
179.07045	13.2
181.08603	2.2
181.10049	0.5
183.11766	0.7
193.04968	0.6
193.08527	2.6
193.12256	2.5
193.15942	1.7
205.98764	0.8
211.07608	1.7
211.09631	8.6
211.11467	1.2
211.14876	1.8
211.16985	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	211.0968
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03947	2.7
53.95534	0.8
55.01869	2.6
55.05522	5.8
57.03431	2.6
57.07076	1.3
65.03923	1.1
67.05190	1.1
67.05508	7.1
69.03439	2.9
69.07062	2.7
71.04993	4.2
71.42525	1.7
79.05505	12.8
81.03419	3.1
81.07066	10.9
83.04974	3.2
83.08629	2.2
85.06550	3.1
88.76076	1.0
91.05488	15.0
93.07058	6.3
94.04224	1.4
95.04997	6.7
95.08613	6.9
97.02895	1.2
97.06541	1.8
97.10166	1.1
99.04451	1.6
99.08114	1.3
103.05468	2.9
105.03417	1.0
105.07046	16.1
107.04951	2.5
107.08613	5.0
109.06541	11.2
109.10169	7.4
111.04459	2.0
111.08096	1.8
115.05478	1.8
115.57870	1.1
117.07011	1.7
119.04955	10.3
119.08595	3.1
121.06508	4.2
121.10139	1.7
122.03670	5.1
123.04449	22.0
123.08073	5.4
123.11707	3.6
124.44549	1.1
125.06042	1.2
125.09654	3.5
127.07588	2.3
133.06506	8.9
133.10141	4.4
135.11725	8.7
136.05106	1.2
137.05997	100.0
137.09613	2.9
138.06354	1.2
144.08063	3.3
147.04440	10.4
147.11726	1.7
149.05966	3.6
150.06786	1.7
151.03915	5.4
151.06471	1.7
151.07578	17.1
151.11240	1.1
153.05472	2.6
161.05977	3.1
161.07196	1.2
163.03940	1.4
165.05510	4.2
165.09131	3.5
167.07095	16.1
175.14854	5.2
176.57175	1.0
178.06200	1.9
179.07065	48.2
180.07457	0.8
181.08662	2.6
193.08626	7.8
193.12215	1.3
193.15909	3.0
197.68459	0.9
211.07646	2.1
211.09663	16.5
211.15125	1.2
211.17012	3.3
223.44624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01869	3.6
55.05522	5.8
55.05729	1.0
57.03435	3.2
57.07083	1.7
59.04990	1.9
64.38194	1.1
65.03942	2.4
67.05506	13.9
67.12682	1.1
68.99796	1.7
69.03433	2.6
69.07075	12.6
69.47954	8.0
71.04994	3.5
71.08654	1.3
71.94643	1.0
76.15750	1.0
78.04692	1.8
79.05492	8.2
81.03424	2.9
81.07062	11.5
83.04974	3.3
83.08616	2.7
85.06539	2.6
91.05483	27.5
93.03416	1.2
93.07042	17.6
93.55425	1.1
93.88754	1.2
94.04242	1.9
95.04968	23.4
95.08609	12.4
96.05336	1.1
97.02897	2.4
97.06528	2.6
99.04442	2.3
99.08089	1.7
103.05476	7.8
105.04549	1.1
105.07034	13.9
106.04173	1.4
107.04940	3.4
107.08604	6.7
108.05738	1.5
109.02905	5.3
109.06518	9.3
109.10158	11.9
110.03637	2.1
111.04499	1.5
113.05997	4.2
113.09676	1.1
115.05463	1.3
119.04939	19.8
119.08586	8.7
121.02881	1.9
121.06506	12.0
121.10153	2.8
123.04434	26.5
123.08070	5.8
123.11708	3.7
124.05268	1.3
125.02358	71.7
127.03923	15.0
131.08594	1.7
133.06506	4.9
133.10138	28.9
135.11676	3.4
136.05177	1.7
137.05991	23.1
137.09612	4.0
139.03947	1.5
140.04709	2.2
141.05469	5.0
143.72951	1.1
147.04405	22.9
147.11702	6.7
149.05998	18.9
151.03928	8.9
151.07564	15.9
151.11201	15.7
152.04655	1.2
155.02126	1.7
155.03400	30.0
155.07016	4.6
155.10674	2.0
161.05975	3.2
163.03894	2.1
165.05525	2.6
165.12750	1.5
165.16402	2.0
166.06329	2.7
167.03346	2.8
167.07045	54.3
169.04976	4.8
170.05756	100.0
171.06110	1.4
175.11171	1.9
175.14807	7.3
179.07039	44.1
180.07706	2.1
181.08607	15.4
183.06526	7.8
193.04918	3.1
193.12231	5.5
193.15936	3.3
196.07301	2.9
211.06007	3.6
211.09618	9.6
211.13313	3.0
211.16939	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18817	1.0
53.00306	1.4
53.03943	3.8
55.01894	1.1
56.94274	1.1
63.77606	1.0
67.05524	5.4
77.03902	1.3
79.05483	2.3
79.21898	1.2
91.05510	6.0
95.04977	66.2
104.12774	1.0
105.03391	1.5
105.04504	1.6
106.83861	1.1
119.04961	6.9
123.04449	17.4
137.05951	1.8
147.04410	4.7
151.03920	100.0
151.82610	1.2
165.05525	1.1
169.05008	1.1
175.03893	3.6
193.04883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
53.03940	3.6
53.53275	0.9
57.29312	1.0
64.52140	0.8
65.03960	2.1
67.05510	6.5
70.08646	0.9
71.02833	1.9
77.03951	1.5
79.05496	2.4
91.05492	6.5
92.15038	1.0
94.82162	1.0
95.04984	63.1
103.05466	1.2
105.03400	1.7
105.04498	2.6
109.06566	1.2
119.04952	9.2
123.00834	1.8
123.04453	20.7
147.04436	7.2
149.05927	1.5
151.03923	100.0
161.76192	0.9
167.07132	1.1
172.60185	0.9
175.03902	3.7
193.04976	2.3
221.06172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Anhalamine
Peak:m/z	Relative Intensity
53.03946	0.8
56.96572	1.9
57.00615	0.4
57.03429	0.8
58.99863	0.7
61.02922	0.8
63.02379	0.4
67.05506	0.7
68.98289	0.9
69.03421	1.4
69.29835	0.4
70.17768	0.8
70.18158	0.9
70.99847	0.8
71.42323	0.3
73.02888	0.6
79.05488	1.1
81.03419	1.4
82.01449	2.9
82.46366	0.4
82.99830	0.4
83.04974	0.6
84.26593	0.4
85.02922	0.8
86.99319	0.4
87.04475	0.7
89.03913	4.1
90.04253	0.7
97.01412	0.7
97.02887	1.3
97.96651	0.4
98.97595	1.2
100.02481	3.7
101.00868	2.3
103.02449	0.5
107.04959	1.4
109.01432	0.4
109.02875	1.2
110.03191	0.7
110.06036	0.7
110.97511	0.4
113.00865	0.9
115.02443	0.7
117.03366	4.4
118.03622	0.6
118.06517	0.5
118.95364	0.4
119.01928	2.8
120.08105	41.2
124.07592	3.1
126.98772	1.3
127.02429	1.9
127.03918	0.5
128.02634	0.5
129.03958	0.7
131.01894	1.9
132.08144	0.7
133.01645	0.5
133.03447	0.8
134.09644	1.7
135.04411	7.6
139.02466	0.5
141.03937	0.5
143.00156	0.5
144.99846	2.2
145.02762	3.2
145.03543	2.9
146.03334	0.8
146.09634	0.4
147.03140	0.7
148.07597	1.1
150.09138	5.1
151.02423	0.9
153.03998	0.5
157.03456	1.0
159.03223	0.7
159.05067	0.6
159.56766	0.4
161.03012	0.6
163.03903	28.2
164.04265	2.9
164.10715	100.0
165.00534	0.4
165.11055	1.7
166.08652	0.5
168.01443	1.0
168.05168	0.4
168.10266	0.6
168.98114	0.6
169.01665	1.1
169.03459	3.9
170.03581	0.9
171.05046	0.8
172.99321	2.7
173.03059	0.8
175.04457	0.5
177.02467	0.4
178.08627	1.7
185.02972	0.7
186.03084	1.6
187.00871	1.9
187.02756	3.6
187.04518	4.3
188.04744	0.4
191.00319	1.0
192.10197	4.2
196.00951	4.0
197.02945	0.7
205.02005	0.6
205.03726	0.5
205.05511	0.6
210.11253	85.2
211.11644	1.1
214.01991	1.1
215.04022	6.0
216.04221	1.0
233.05072	12.9
234.05229	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	6.2
53.84211	1.5
53.97987	1.5
55.01875	16.7
55.05514	22.1
57.03445	7.4
57.07067	5.3
59.04995	4.4
65.03939	4.3
67.05505	11.9
68.99810	1.7
69.03438	8.7
69.07076	13.0
71.05000	17.8
71.05518	3.4
75.04494	2.0
77.03928	2.9
78.04710	5.3
79.05498	22.6
80.88690	1.6
81.03413	2.7
81.07058	23.7
82.65065	1.5
83.01335	5.9
83.04985	37.9
83.08614	10.8
85.02892	4.7
85.06553	7.4
87.04453	4.4
89.03915	2.4
91.05481	26.8
93.03403	5.3
93.07048	28.5
93.41009	1.6
95.04975	100.0
95.08601	12.4
97.06542	14.0
97.10158	7.6
99.04462	16.2
99.08089	5.3
103.05466	13.8
105.04489	2.9
105.07045	17.1
106.04185	20.5
107.04976	12.8
107.08604	29.8
109.02878	15.4
109.06524	87.7
109.10162	15.6
111.04436	6.3
111.08089	10.5
113.06007	2.3
113.09631	1.7
115.05455	1.9
117.03374	1.8
117.06986	4.2
119.04889	2.8
119.08594	7.7
120.05710	1.9
121.06512	36.3
121.10141	22.9
123.04432	4.3
123.08079	13.3
123.11729	7.5
125.05992	11.4
125.08776	2.4
125.09637	31.3
127.11173	2.4
131.04915	6.0
131.08578	17.1
133.02823	2.1
133.10138	16.5
134.03644	3.7
135.04410	4.8
135.08058	19.3
135.11685	5.3
137.05972	4.7
137.09572	2.0
139.07542	14.1
139.11182	3.6
141.05458	2.4
145.02814	2.8
145.10121	6.7
147.04349	1.8
147.11685	5.5
148.05167	4.8
149.05997	31.7
149.09645	18.0
149.13283	10.0
151.03857	3.3
151.07582	2.0
151.11180	18.7
153.05482	3.4
153.09100	45.9
158.10901	2.3
159.04378	1.7
163.03905	4.7
163.07568	7.7
163.11203	4.8
163.14793	4.2
165.05496	14.2
165.12761	2.3
167.07068	6.3
167.14301	10.5
173.13297	16.1
176.04677	1.8
177.05473	21.9
181.04948	3.7
181.08653	3.6
191.03464	2.6
191.07011	5.8
191.10707	3.5
191.14317	34.4
194.05721	3.0
209.04456	4.5
209.08096	18.7
209.11774	4.9
209.15361	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.74336	1.0
55.01886	2.5
55.05516	6.6
57.07078	11.0
59.05015	2.1
62.59644	1.2
65.03934	1.7
67.05502	9.4
69.03095	1.6
69.03433	22.5
69.07054	5.3
70.82145	2.2
79.05494	8.1
81.07052	14.9
83.04982	15.7
83.08599	2.7
85.02879	1.4
85.06542	8.6
91.05466	8.2
93.03417	1.3
93.07016	6.9
95.04974	3.4
95.08612	8.5
97.06514	4.8
103.05457	1.9
105.07030	5.9
106.04173	2.6
107.04939	1.3
107.07882	2.1
107.08595	31.9
109.06503	11.8
109.10166	3.3
111.08089	9.2
113.75262	1.3
116.70271	1.2
119.08591	4.7
121.06522	8.4
121.10149	12.2
123.08084	6.6
123.11694	6.9
125.06036	2.3
125.09630	72.3
129.06886	1.3
131.08557	7.4
133.10153	8.3
135.08035	18.2
135.11674	5.6
137.09598	1.6
139.07584	1.4
145.10121	4.6
147.11681	4.1
149.05980	5.2
149.09584	9.7
149.13261	5.2
150.10376	1.4
151.11203	5.4
153.09116	15.3
158.10936	3.4
161.09607	1.9
163.11201	4.8
163.14839	7.2
165.12770	16.9
173.13277	22.8
176.11955	2.2
177.05496	4.8
191.14304	99.4
192.14708	1.5
209.08014	1.8
209.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	4.2
54.78841	1.3
55.05516	67.0
57.71885	1.3
59.04998	5.3
67.05495	7.9
69.03425	5.0
69.07064	4.3
70.80548	3.3
71.04987	2.5
79.05511	8.0
81.07063	12.3
83.04987	100.0
83.08627	33.0
84.56287	1.4
85.06541	3.2
91.05482	3.9
93.07058	11.2
95.04970	13.4
95.08618	6.9
97.06532	6.3
97.10187	7.9
103.05480	1.6
105.07040	2.2
107.04947	3.0
107.08612	19.3
109.02878	5.1
109.06525	12.9
109.10165	19.8
111.08083	9.0
121.06529	2.9
121.10155	19.1
123.11698	10.1
125.09647	14.4
133.10127	5.9
138.15813	1.5
148.01591	1.4
149.05960	2.5
149.13242	4.7
151.11183	35.8
153.09109	4.6
163.14812	2.2
165.05495	4.8
167.07095	2.1
167.14331	66.2
173.13368	1.6
177.05359	1.7
191.14336	3.9
209.15363	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.50128	0.8
53.03939	2.3
55.01853	1.3
55.05506	2.8
57.03444	0.8
57.07075	2.0
57.85674	0.8
59.04995	1.1
59.39882	0.8
64.99135	0.8
67.05512	5.7
69.03434	12.6
69.07066	4.8
71.04987	1.2
71.44067	1.4
75.04424	0.7
77.05900	0.8
79.05497	4.4
81.03426	11.4
81.07063	8.4
83.04992	4.3
85.06517	1.1
91.05492	4.1
91.85272	1.0
93.07040	5.5
95.04984	8.0
95.08612	12.2
97.06541	3.9
103.05502	1.5
105.07040	8.3
106.04173	2.1
107.04928	1.3
107.08608	12.7
109.06526	19.4
109.10139	2.2
110.07317	1.3
111.08117	1.4
119.08588	6.1
121.06525	5.1
121.10156	15.6
123.08077	12.5
123.11729	9.1
124.38059	0.8
125.09675	1.0
131.04956	1.2
131.08597	1.2
133.10139	2.6
135.08070	2.4
135.11696	2.0
137.09631	2.7
137.13255	2.7
138.18300	0.7
145.10170	1.6
147.11696	5.0
149.05959	3.0
149.09608	9.4
149.13269	8.0
151.11206	6.5
153.09117	2.7
163.14813	1.0
165.12772	100.0
173.13274	2.2
177.05484	2.9
191.14313	4.8
209.08060	1.0
209.15390	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	3.4
55.01866	6.9
55.05515	46.9
56.32254	1.2
57.03436	2.6
57.07074	7.0
59.04990	4.5
65.03938	1.5
67.05505	10.5
69.03422	5.0
69.07070	8.5
71.05014	7.1
71.21464	2.1
71.39505	1.5
79.05489	13.9
81.07059	18.2
83.04984	71.6
83.08625	19.2
85.02898	5.3
85.06540	4.0
91.05484	13.6
93.03403	1.3
93.07043	17.5
93.72628	1.1
95.04971	53.5
95.08615	9.4
96.01328	1.2
97.06527	8.6
97.10162	6.5
99.03893	1.7
99.04466	10.0
99.08104	1.9
103.05479	8.0
103.76582	1.1
105.07040	12.0
106.04157	3.3
107.04955	4.1
107.08591	24.1
109.02877	4.3
109.06522	100.0
109.10159	21.5
111.04443	2.0
111.08105	11.9
117.07008	2.1
119.04967	2.4
119.08576	4.1
121.06496	10.3
121.10164	20.9
123.08060	12.8
123.11712	9.4
125.05981	2.9
125.09613	11.6
129.07042	1.8
131.04936	3.6
131.08562	10.7
133.10138	12.7
135.08057	20.2
135.11691	2.1
137.09586	1.9
139.07539	1.6
143.08569	1.5
145.10144	4.1
147.04387	2.9
147.11667	1.8
149.06021	5.8
149.09627	5.5
149.13237	11.0
151.11191	21.8
153.05455	2.6
153.09105	13.6
158.10863	2.0
163.07516	3.0
163.11182	3.6
163.14833	2.4
165.05487	5.5
165.12775	2.3
167.14323	44.4
173.13283	9.6
177.05473	5.6
181.08546	1.9
191.06923	1.5
191.14301	16.4
209.08067	4.4
209.11714	2.8
209.15381	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	7.0
55.01878	8.1
55.05516	75.3
57.03438	3.5
57.07080	1.9
58.32113	0.9
59.05001	6.2
59.86956	0.8
60.34963	0.9
64.66540	1.0
65.03944	4.4
67.05512	11.9
68.76218	0.9
69.03438	9.3
69.07075	5.1
70.36298	2.0
70.36681	2.9
71.01350	1.1
71.05000	4.3
75.04498	1.4
77.03927	1.6
78.04703	1.7
79.05499	26.2
80.40334	0.9
81.03431	3.0
81.07062	15.0
81.07533	1.4
82.04222	0.9
83.04988	100.0
83.08624	38.5
83.09129	1.3
85.02900	4.6
85.06552	5.4
87.04475	3.9
88.20734	0.8
91.05488	16.6
93.03421	3.6
93.07052	18.4
94.04161	2.0
95.04974	25.6
95.08614	9.6
97.06535	8.9
97.10180	7.5
98.20873	1.2
99.04461	3.4
99.08099	1.9
101.31618	0.9
103.05478	12.5
105.03403	2.8
105.04550	1.8
105.07034	8.0
106.04180	8.8
107.04973	11.4
107.08600	21.2
109.02891	19.8
109.06522	17.8
109.10164	24.0
111.04470	3.3
111.08083	13.5
112.08879	1.1
113.09661	1.4
117.03370	1.0
117.07011	1.1
119.04952	1.5
119.08590	2.6
120.75273	1.2
121.06517	21.0
121.09351	1.1
121.10166	13.9
123.04443	5.3
123.08075	1.8
123.11713	12.9
125.06003	9.5
125.09634	12.7
131.04939	7.1
131.08578	4.0
133.02887	1.3
133.10156	6.8
134.03688	1.7
135.04451	8.5
135.08054	3.0
135.11696	1.7
137.05998	4.0
139.03896	1.2
139.07532	2.5
141.05458	4.5
145.02844	1.3
145.10115	2.8
147.04436	1.5
147.11728	2.2
148.05177	2.6
149.02391	1.3
149.06010	22.2
149.09622	3.5
149.13274	8.8
151.03947	5.9
151.11194	36.4
153.05487	2.6
153.09129	7.7
159.04425	1.5
163.03998	2.4
163.07584	4.6
163.11172	1.9
163.14882	2.5
165.05490	22.0
167.07024	7.1
167.14333	81.9
173.13301	2.7
177.05501	14.8
181.05006	9.0
181.08586	4.4
191.03378	1.1
191.07079	2.6
191.10718	1.3
191.14325	4.1
194.00449	0.9
194.05823	1.3
195.94167	1.2
209.04471	5.5
209.08112	14.8
209.11818	2.7
209.15363	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	209.1173
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
52.50961	1.0
53.03931	3.7
55.01878	17.3
55.05510	7.4
57.03436	1.3
57.88690	1.0
63.16853	1.0
65.03938	5.4
67.05507	9.8
69.03410	1.5
69.07054	3.8
69.36069	8.4
71.01360	1.1
71.04988	2.2
75.04474	5.2
77.03918	1.6
78.04695	4.4
79.05502	13.4
81.03422	5.6
81.06647	1.4
81.07056	12.5
83.04983	8.6
83.08603	4.2
85.02882	3.7
85.06509	1.8
89.03913	3.9
91.05486	33.8
93.03411	8.6
93.07047	15.5
95.04979	14.5
95.08615	9.3
97.02888	2.4
97.06510	4.9
98.20757	1.3
99.04432	1.7
103.05482	12.7
104.06195	1.2
105.03382	2.3
105.04495	2.6
105.07040	10.3
106.04178	18.5
107.04961	15.3
107.08573	10.3
107.34623	1.0
108.05754	1.7
109.02825	1.3
109.06509	10.0
109.10126	4.7
109.57055	1.2
110.03687	2.1
111.04438	7.6
111.08065	2.6
115.05476	2.5
117.03349	4.0
117.06994	5.7
118.04147	2.9
119.04952	13.2
119.08560	3.8
120.05772	2.1
121.02773	1.3
121.06507	45.7
121.07397	2.5
121.10127	6.3
122.03461	1.1
123.04428	5.1
123.08074	5.5
123.11696	1.5
124.05208	1.3
125.06015	9.6
125.09660	1.6
131.04939	7.5
131.08559	3.6
133.02855	5.6
133.06494	5.2
133.10083	2.9
134.03593	5.4
134.07280	3.4
135.04401	3.6
135.08054	17.5
135.11679	2.9
136.05225	5.7
137.05949	8.4
137.09589	1.4
138.03098	1.5
138.06749	4.0
139.07521	3.2
145.02820	4.2
145.06456	4.1
145.10135	4.6
146.07246	3.9
147.04413	20.9
147.08044	11.5
147.11617	1.5
148.05205	10.3
149.05986	32.4
149.09576	7.5
149.13283	2.2
151.03915	2.9
151.07542	19.6
151.11156	3.5
153.05460	16.1
153.09085	5.5
153.12773	1.4
154.06235	3.7
159.04430	1.6
161.06007	5.0
162.06764	12.1
163.03860	2.8
163.07550	27.1
163.11142	5.3
164.08336	1.6
165.05505	13.9
165.06842	1.3
165.09052	1.5
166.06274	24.4
167.03355	1.2
167.07120	1.3
167.14330	2.8
168.07834	26.2
169.08511	1.3
173.13217	3.0
176.04645	1.3
176.08243	1.5
177.05476	21.1
177.09085	12.0
178.09897	56.2
179.07051	29.1
179.08539	1.6
179.10542	2.3
181.08600	71.6
182.08968	1.9
191.07019	4.9
191.10651	2.7
191.14278	3.3
194.09395	61.3
209.04422	7.3
209.08315	11.1
209.11719	100.0
209.15324	10.0
210.12132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.03941	1.5
53.70370	0.8
55.01869	5.2
55.05502	2.0
57.03436	0.9
57.07051	1.2
59.41593	0.8
60.54839	0.7
65.03936	3.8
67.05505	4.3
67.75592	0.7
69.03426	0.9
69.07077	1.1
69.24541	7.3
69.41893	0.7
71.04989	0.9
71.95403	0.6
75.04470	1.5
77.03932	1.1
78.04699	3.3
79.05495	6.3
81.03422	1.3
81.07057	4.8
81.07452	0.7
83.04965	1.7
83.08587	1.0
85.02907	1.0
89.03919	1.6
91.05483	22.9
93.03396	5.6
93.07039	6.6
95.04963	6.1
95.08622	4.1
97.06533	1.4
98.21413	2.6
103.05467	8.1
103.90801	0.8
104.63828	0.7
105.03375	1.6
105.04544	1.1
105.07043	6.0
106.04180	10.1
107.04324	0.9
107.04965	14.9
107.08566	3.2
108.05702	1.3
109.06528	5.2
110.03640	1.9
111.04442	2.1
111.08038	1.1
115.05420	3.6
116.06222	0.9
117.03320	1.4
117.07022	6.9
119.04942	13.9
119.08541	2.1
120.05748	1.7
121.06506	27.5
121.10140	1.5
122.07302	1.0
123.04438	4.6
123.08052	4.0
125.05991	5.8
131.04927	5.7
132.05722	0.9
133.02853	6.3
133.06508	6.0
134.03615	2.5
134.07213	2.6
135.04384	1.9
135.08061	13.9
135.11699	2.5
136.05202	6.7
137.05988	6.9
138.06744	3.3
139.07532	2.2
145.02805	1.8
145.06464	3.3
145.10106	1.4
146.07254	6.1
147.04416	17.0
147.08051	11.1
147.11679	0.8
148.05214	8.3
148.08818	1.2
149.05992	21.5
149.09679	4.0
149.13213	0.9
151.03928	2.6
151.07555	26.3
152.08269	1.5
153.05478	15.4
153.09055	2.6
154.06223	3.1
161.05983	5.9
162.06747	13.4
163.03854	1.3
163.07547	28.3
163.11162	1.8
164.08321	1.5
165.05499	14.8
165.09093	1.9
166.06268	20.1
166.07672	1.2
167.07008	1.4
168.07825	30.8
169.08444	1.3
176.08347	0.8
177.05490	8.5
177.09119	13.2
178.09892	58.2
179.07063	31.4
179.08549	4.6
179.10269	3.7
181.08603	82.0
182.08952	1.2
191.07004	1.5
191.14351	1.1
194.09387	64.2
194.10873	2.8
195.09767	1.0
209.08095	2.9
209.11713	100.0
209.15300	5.4
209.87460	0.8
210.12061	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02370	2.0
53.03951	13.1
54.12271	1.6
55.01877	17.0
55.05508	3.8
55.89296	1.3
57.03444	1.5
57.07076	1.7
58.91566	1.4
65.03655	1.5
65.03942	15.7
66.04694	1.7
67.05515	10.7
69.03416	4.3
69.07072	2.8
69.95524	3.5
69.95911	3.0
71.04980	3.1
75.04474	10.4
75.87878	1.5
77.03920	2.9
78.04707	14.7
79.05494	11.1
81.03415	4.6
81.07065	8.0
81.57441	1.5
83.04970	5.8
83.08569	1.7
85.02911	8.6
85.06551	2.3
89.03925	7.4
89.06038	3.3
91.05481	57.9
93.03413	34.1
93.07050	24.1
94.09016	1.5
95.04977	20.2
95.08598	4.5
97.06530	13.0
98.20800	2.2
102.06693	1.4
103.05463	26.1
105.03376	4.2
105.04517	4.5
105.07009	4.3
106.04175	89.0
107.04980	9.2
107.08594	8.8
108.05711	2.5
109.02897	2.1
109.06525	9.8
109.10172	3.4
111.04434	3.0
111.08084	2.8
117.03360	6.1
117.06986	1.7
118.04179	2.9
119.04945	4.5
119.08598	2.6
120.05718	2.4
121.06508	91.3
121.10118	6.7
122.07344	1.8
123.04353	3.7
123.08073	5.6
123.11722	2.3
125.06001	20.5
125.09633	15.0
131.04959	7.2
131.08583	2.0
133.02850	2.9
133.06454	2.3
133.10121	3.0
134.03632	13.3
135.04402	3.9
135.08029	6.8
135.11638	1.9
137.05989	12.6
138.06758	5.3
139.07533	6.1
145.02855	11.0
145.10103	2.0
147.04405	3.3
147.11699	1.8
148.05182	9.4
149.05981	100.0
149.09602	4.4
149.13202	2.8
150.10345	1.8
151.07576	4.1
151.11153	2.1
153.05486	7.3
153.09105	19.2
159.04413	3.2
163.07561	5.7
163.11185	3.2
163.14824	1.5
165.05518	2.0
165.12758	5.0
166.06290	3.6
173.13284	5.3
176.04683	1.9
177.05472	52.5
181.08595	19.8
191.06987	7.5
191.14317	23.3
194.05826	2.3
209.08080	28.9
209.11969	1.8
209.15369	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	209.1174
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
65.03963	1.6
67.05467	1.6
71.00021	3.1
76.46602	1.6
79.05486	3.5
81.07050	2.0
91.05090	1.3
91.05501	15.0
93.03413	1.9
93.07047	3.9
95.04985	3.3
103.05466	6.8
105.07038	5.5
106.04182	4.1
107.04971	14.5
107.08591	2.0
109.06522	1.8
111.04432	2.8
115.05450	2.3
117.07028	4.7
119.04951	12.7
121.06514	20.9
123.04439	3.4
123.08111	3.5
125.05974	3.3
131.04945	4.4
133.02852	5.3
133.06503	4.1
134.03670	1.9
134.07303	4.4
135.08051	14.6
136.05197	6.0
137.06012	5.5
138.06770	2.5
146.07265	3.5
147.04420	15.4
147.08081	11.5
148.05208	6.0
149.06003	12.3
149.09613	4.4
151.03941	2.9
151.07556	24.0
153.05479	16.9
153.09142	2.0
154.06287	3.5
161.05940	4.1
162.06786	11.8
163.07542	25.5
164.08414	1.7
165.05479	12.7
166.06273	20.1
168.07837	31.0
173.30949	1.6
177.05461	3.0
177.09099	13.5
178.09911	57.2
179.07045	32.3
179.10710	2.4
181.08607	69.8
194.09398	66.5
209.04237	1.6
209.11743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
51.02368	3.5
53.03944	22.3
55.01868	12.8
55.05501	7.2
59.04985	11.9
61.77826	3.0
65.03932	3.4
65.23811	2.6
67.05249	2.3
67.05511	25.7
69.82253	15.2
71.01344	4.1
73.26787	2.9
75.96867	2.4
76.94443	2.9
77.03919	6.5
79.05496	86.6
81.03424	16.4
81.07054	7.4
85.02882	9.1
87.04449	6.1
89.66600	2.8
91.05493	39.5
93.03405	6.6
93.07051	20.7
94.04188	12.9
95.04389	4.7
95.04969	70.4
95.08589	2.6
97.06509	4.2
99.04459	4.8
103.05473	33.7
105.03389	7.4
105.04496	8.2
105.07024	15.8
106.04203	7.0
107.04964	71.7
107.08568	5.9
109.02885	81.1
109.06523	59.2
110.02445	2.6
111.04443	6.0
111.08096	7.5
111.27395	2.7
121.06503	38.0
121.10102	4.1
123.04436	28.7
125.06013	25.3
131.04922	14.7
133.02858	4.4
133.10074	3.3
135.04440	25.6
135.11687	3.5
137.05948	12.3
137.09602	3.2
139.03859	4.6
139.07513	8.0
141.05492	13.0
148.05229	4.2
149.02316	4.1
149.05983	47.4
151.03903	31.3
153.05461	5.0
153.09106	7.7
159.04430	4.8
163.07536	7.5
165.05476	100.0
167.07040	49.6
177.05460	36.4
181.08571	5.8
191.07065	3.6
191.28601	3.0
196.22832	2.7
209.08052	15.6
209.15373	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	209.0809
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
51.71515	2.1
53.03950	20.1
55.01867	14.8
55.05516	3.9
59.04994	6.7
63.94864	2.2
65.03929	5.9
67.05505	20.9
69.03407	3.4
70.86938	2.8
70.87260	4.3
71.01350	4.3
77.03904	5.9
78.04704	2.8
79.05495	82.6
81.03405	10.7
81.07043	10.2
83.01347	4.7
83.04974	4.5
85.02887	6.3
87.04452	8.9
91.05489	38.9
93.03401	7.6
93.07040	22.7
94.04176	10.3
95.04388	3.0
95.04967	53.3
97.06525	4.1
101.09494	2.4
103.05463	32.3
105.03400	11.5
105.04508	9.2
105.07037	12.1
106.04193	22.0
107.04962	87.7
107.08525	2.9
109.02882	84.8
109.06519	52.6
111.04449	5.5
111.08064	3.5
121.05691	3.8
121.06509	57.4
123.04440	24.3
125.02347	2.6
125.05992	24.4
131.04936	11.9
133.02820	6.4
134.03606	3.1
135.04416	21.8
135.08124	3.7
137.05983	13.0
139.03893	5.4
139.07530	8.4
141.05453	10.5
143.90793	2.5
148.05179	5.8
149.02362	5.8
149.05981	52.4
151.03915	33.0
153.05461	7.4
153.09129	5.3
159.04382	4.6
163.07536	6.1
165.05481	100.0
167.03415	2.8
167.07045	37.3
177.05472	31.9
181.04933	6.4
181.08578	6.3
191.07014	4.6
194.05757	3.9
209.08047	21.3
209.15392	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03950	10.8
55.01880	18.3
55.05518	8.3
56.54651	1.3
57.03426	1.5
62.19444	1.2
65.03944	14.8
67.05500	12.8
69.03455	1.5
69.07054	3.4
69.67861	7.5
71.05003	1.8
72.83920	1.3
75.04478	10.5
76.81776	1.4
77.03934	5.2
78.04706	13.2
79.05495	23.3
80.68851	1.2
81.03422	3.2
81.07053	12.6
82.35642	1.2
83.04985	3.3
83.08627	4.1
85.02908	10.9
88.31567	1.3
89.03923	7.3
89.06049	3.0
91.05486	46.1
93.03416	31.5
93.07047	35.5
95.04974	17.2
95.08603	19.7
97.02885	1.5
97.06532	11.5
98.20766	2.2
99.04453	1.9
103.05473	22.7
103.12096	1.5
105.03445	2.9
105.04507	4.6
105.07030	7.2
106.04178	80.3
107.04962	9.1
107.08603	14.8
109.06488	7.8
109.10148	1.5
111.04473	3.5
115.05460	1.7
117.03386	5.9
117.07027	4.8
119.04939	6.1
119.08577	3.8
120.05730	1.6
121.06509	77.5
121.10175	5.0
122.07292	1.5
123.04430	2.7
123.08058	2.6
124.05210	1.9
125.06006	22.6
125.09663	1.3
131.04936	6.8
133.02794	1.6
133.06511	1.4
134.03630	12.8
135.04446	2.8
135.08102	2.0
135.11699	14.6
137.05971	11.6
137.09621	1.6
138.06789	2.5
139.07568	7.7
145.02870	7.1
145.10098	9.8
147.04420	1.9
148.05196	8.3
149.05986	100.0
151.03931	1.9
151.07544	3.4
151.11124	1.5
153.05458	6.0
153.09105	14.8
159.04405	2.2
163.07561	5.9
163.11174	11.5
166.06239	2.8
167.14418	1.3
176.04659	1.4
177.05481	41.1
178.47911	1.5
181.08614	16.6
191.07028	6.2
191.14279	1.9
194.05833	1.6
209.08112	19.7
226.03419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0811
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03957	11.4
55.01883	68.1
57.03447	2.9
57.78917	1.5
65.03951	13.7
67.05502	6.2
69.97353	8.2
71.62521	1.9
75.04485	9.9
77.03916	4.5
78.04717	14.0
79.05507	10.6
81.03429	2.0
81.07070	3.5
83.04976	2.9
85.02917	11.3
87.88534	2.0
89.03930	13.7
91.05492	53.1
93.03420	27.6
93.07057	21.7
95.04986	15.5
95.08592	4.5
97.06548	10.1
102.65813	1.8
103.05476	36.2
105.03408	3.0
105.04533	5.0
105.07050	2.8
106.04189	69.7
107.04958	11.0
107.08592	3.8
109.06551	9.2
110.03641	2.1
111.04455	2.9
117.03399	19.7
118.04156	4.5
119.04959	8.6
120.05717	2.9
121.06519	86.3
121.07400	4.4
123.04445	3.4
123.08049	3.4
123.11765	2.1
125.06024	18.7
130.04236	2.6
131.04944	20.7
131.05879	3.1
133.02837	3.6
134.03653	19.8
135.04434	6.2
135.11778	2.1
137.05956	8.6
138.03136	3.0
138.06787	5.5
139.07567	5.8
139.14946	1.9
145.02872	26.4
147.04456	11.4
147.05521	1.6
148.05203	14.0
149.06000	100.0
151.03937	4.8
151.07541	3.2
153.05449	12.9
153.09119	14.7
159.04364	5.6
159.05569	2.5
162.03096	2.6
163.03891	4.6
163.07587	11.8
165.05481	2.3
166.06247	7.1
176.04688	5.7
177.05493	81.3
180.07906	2.7
181.04953	2.5
181.08623	21.5
187.37367	2.4
187.91243	1.9
191.07057	27.0
191.14233	2.7
194.05818	4.4
209.04350	2.5
209.08116	45.2
209.15379	4.4
219.69371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.097
Annotation	Thalifoline
Peak:m/z	Relative Intensity
56.96546	0.9
63.96124	0.4
65.03945	0.4
66.18236	0.4
67.05495	1.1
70.73814	1.1
79.05500	2.2
80.05014	0.8
81.03405	0.4
81.07050	1.3
83.43048	0.4
85.02894	0.5
91.05492	3.1
93.07041	0.8
95.04988	1.1
98.97601	3.5
103.05439	0.7
104.05016	0.6
105.07023	2.1
106.06570	0.4
107.04919	1.0
109.02887	0.9
109.06507	1.3
115.05470	0.6
116.98648	0.9
117.05736	1.3
120.08080	1.1
121.06512	1.3
122.09648	0.6
125.05949	0.5
130.06552	0.5
132.08080	2.0
133.08859	2.5
134.09653	0.7
135.04356	0.8
139.04047	0.4
148.04807	0.9
149.05978	0.5
150.05496	4.1
158.99696	1.0
162.09154	0.5
163.06244	1.8
164.10715	0.5
165.05486	1.6
166.05818	1.3
167.07008	0.6
176.07088	19.0
176.10696	6.2
177.00758	0.7
177.05508	0.9
177.07861	14.8
178.05017	20.5
178.08635	28.1
179.07024	0.9
181.03729	1.1
193.07346	0.9
202.14240	0.5
208.09695	100.0
208.13310	5.5
209.10100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03939	1.6
55.05512	5.7
57.07078	1.2
65.03941	1.4
67.05508	24.2
69.03416	1.1
69.07073	8.3
69.21313	5.7
71.04988	1.6
71.32687	0.6
79.05503	4.4
80.07355	0.5
81.07058	8.0
83.04990	1.2
83.08624	2.5
85.06544	1.2
89.26734	0.6
89.27277	0.5
91.05481	5.8
93.07053	11.4
95.04987	4.6
95.08609	100.0
97.06500	0.7
99.08089	0.8
103.05431	0.6
105.07029	7.8
106.61475	0.6
107.08605	10.7
109.06520	16.8
109.10159	3.4
111.08097	1.5
113.09695	0.8
115.96455	2.0
117.07042	0.8
119.04958	1.7
119.08581	7.6
121.10179	3.4
123.04473	1.4
123.08067	2.7
123.11734	3.4
125.09705	0.6
131.08531	0.9
133.06490	0.6
133.10139	7.5
135.11707	1.7
136.05176	0.7
137.09625	2.7
147.04422	2.3
147.11671	5.8
149.02321	1.1
149.09602	1.0
149.13251	2.2
151.07555	1.3
151.11180	4.2
161.09666	0.8
161.13181	2.9
163.14798	4.9
164.04764	1.3
165.12811	0.9
179.07071	1.2
189.12845	0.9
189.16377	7.4
192.09331	0.9
207.06560	4.1
207.11887	1.3
207.13914	2.6
207.17453	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03942	1.2
55.05512	6.7
57.07067	1.0
65.03941	0.9
67.05506	22.4
69.03414	0.9
69.07063	8.2
69.09484	0.6
69.30509	4.1
71.05000	1.2
72.17046	0.6
79.05494	4.1
79.93380	0.6
81.07059	8.6
83.04996	1.5
83.08620	2.4
91.05486	5.3
91.71543	0.6
93.07047	12.2
95.04974	5.5
95.08608	100.0
96.08912	1.0
97.06542	1.1
98.21609	0.7
100.19547	0.6
105.07038	8.9
107.08592	8.7
109.06519	16.7
109.10158	5.0
111.08099	2.3
115.96472	1.1
119.04952	1.8
119.08577	7.2
121.06487	0.7
121.10131	3.1
123.08092	2.6
123.11744	3.3
125.09708	0.7
133.10146	8.6
135.11702	2.1
136.05179	0.8
137.09621	2.3
137.13388	0.6
139.84312	0.7
143.08615	0.8
145.10123	0.9
146.03625	0.7
147.04398	1.9
147.11688	6.8
149.02386	1.2
149.13237	1.5
150.02753	0.8
151.11147	3.5
160.16312	0.6
161.13274	2.3
163.14833	4.3
164.04663	1.4
165.12766	0.8
179.07062	1.7
179.14420	0.7
189.16394	6.6
192.04272	0.7
192.09389	1.2
207.06538	3.2
207.11908	1.4
207.13876	2.8
207.17447	17.9
207.20584	0.7
219.28374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.30086	1.5
51.90438	1.6
53.03938	2.4
55.05507	8.4
57.03426	3.4
57.07063	3.8
67.05507	11.4
69.07066	8.1
79.05488	13.5
81.07063	20.8
83.04997	3.6
83.08603	4.9
85.06524	6.3
91.05479	20.2
93.06489	3.1
93.07045	38.5
95.04984	2.8
95.08611	33.6
98.21551	3.5
105.07040	25.8
105.77504	1.5
107.07891	3.7
107.08598	58.9
109.06512	5.5
109.10157	11.6
111.08071	3.1
117.06979	2.6
119.04950	3.6
119.08585	40.9
121.10159	14.4
123.08116	9.4
123.08842	1.7
123.11685	8.1
125.09651	1.9
127.07573	2.7
131.08517	4.6
133.10133	44.5
135.11699	100.0
137.09624	12.2
145.10126	4.5
147.11693	41.7
149.02315	1.7
149.13261	8.4
151.11188	18.0
161.13235	6.2
163.14864	12.2
164.04727	2.1
165.12700	2.8
171.11726	2.0
175.03822	1.6
179.07109	2.5
189.16391	87.3
190.16716	2.3
192.09351	4.1
207.06447	8.4
207.11655	4.9
207.13792	3.8
207.17433	57.9
213.37904	1.8
216.81721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
52.54705	1.4
53.03935	2.7
53.18711	1.3
55.05516	10.5
57.03440	4.0
57.07066	5.6
59.04993	2.5
66.41384	1.7
66.79997	1.5
67.05511	16.1
69.07066	12.4
71.04971	3.4
77.03905	1.4
79.05500	16.9
81.03393	1.6
81.07069	24.5
82.94382	1.4
83.04989	3.2
83.08620	6.2
85.06541	6.1
86.24765	1.4
91.05491	28.0
93.07055	45.1
93.49451	1.4
95.04962	6.7
95.08068	2.5
95.08614	34.8
97.06513	4.1
102.03403	1.7
103.05456	2.1
105.07043	34.1
107.05001	1.5
107.08601	68.7
109.06517	6.5
109.10161	14.6
111.08076	3.8
115.96458	3.7
117.07004	3.8
119.04968	4.9
119.07719	2.9
119.08591	48.7
119.14111	1.4
121.06508	1.9
121.10156	13.5
123.04420	2.1
123.08069	11.7
123.11718	8.2
123.95495	2.0
125.09642	2.3
129.07005	3.6
131.08609	2.1
133.10147	49.1
135.11707	100.0
136.05176	1.9
137.09634	11.9
137.13210	2.2
144.86368	1.5
145.10109	5.8
146.03667	1.7
147.04454	7.4
147.11705	47.6
149.02364	5.6
149.13263	11.4
151.07520	3.1
151.11191	16.8
160.12450	2.2
161.05894	2.2
161.13251	12.0
163.14833	13.3
164.04718	4.9
165.12759	4.1
171.11739	4.6
179.06998	4.6
189.12766	6.0
189.16396	80.0
192.04152	1.9
192.09335	4.9
207.02940	2.3
207.06544	13.8
207.11755	4.1
207.13846	9.8
207.17474	50.3
207.19440	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03952	8.7
55.01870	1.6
55.05504	6.1
65.03944	1.2
67.05508	26.0
69.07073	5.7
69.93895	3.0
69.94315	2.3
71.04986	1.9
77.03902	2.6
79.05495	46.1
81.03442	1.5
81.07057	20.4
83.04979	2.7
83.08611	1.5
85.06555	1.4
86.84703	0.9
87.04457	0.9
90.49940	1.1
91.04905	2.1
91.05484	51.3
93.07047	100.0
94.33260	1.0
95.04961	10.1
95.08606	9.7
97.06538	1.1
97.10180	1.1
98.23961	0.8
105.04522	4.0
105.07035	26.0
107.08608	12.4
109.06522	3.6
117.06998	5.0
119.08591	15.6
121.06488	1.8
121.10094	1.5
123.08041	1.7
127.07577	1.3
128.06218	1.5
129.06995	9.0
131.08546	1.7
133.10138	5.0
143.08546	5.0
145.10118	9.5
147.08051	2.6
147.11696	57.5
161.09633	4.5
161.13249	7.3
164.84610	1.0
171.11688	18.1
172.11960	0.9
175.30193	0.9
189.12759	12.9
196.66687	1.1
207.13812	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	12.2
55.05507	10.6
55.43512	2.7
57.03445	2.7
57.55466	2.9
58.17785	2.5
65.03947	4.2
67.05508	33.7
69.07070	9.9
71.04998	4.7
71.49184	3.5
76.17052	3.2
79.05067	2.1
79.05490	60.5
81.07056	29.0
83.04956	4.2
85.02915	3.9
85.06517	3.1
86.84848	2.6
91.05483	66.6
93.07047	100.0
95.04984	17.5
95.08623	15.9
105.04551	4.5
105.07034	39.4
107.08591	17.5
109.06501	8.1
109.10147	2.8
115.85035	2.5
115.96450	6.4
116.97209	3.3
117.07025	4.2
119.08586	26.6
121.06530	3.4
121.10152	4.5
122.07166	5.3
123.08081	6.4
123.11707	3.1
129.07002	9.5
133.06528	3.8
133.10146	9.2
136.08694	3.6
137.09621	3.4
143.08583	10.5
143.74451	2.7
145.10153	10.4
147.08044	5.0
147.11682	61.6
161.09677	4.9
161.13243	12.4
171.10381	4.2
171.11678	23.5
189.12769	13.5
192.86218	2.4
207.03011	3.6
207.09695	8.2
207.13794	32.2
207.17416	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.16599	1.1
53.03939	3.8
53.10445	1.3
53.26818	1.1
55.01868	4.3
55.05499	4.8
57.03441	1.6
57.07076	1.9
60.77073	1.5
62.37073	1.4
65.03944	4.4
65.82383	1.3
66.04720	1.4
67.05503	9.9
68.99787	3.2
69.03426	4.6
69.07054	5.0
71.04984	2.4
71.09169	1.7
71.09500	2.4
77.03910	2.1
78.04736	1.5
79.05495	8.2
80.06269	1.5
81.07065	10.8
83.04978	2.9
85.02913	7.0
85.06536	6.2
89.06007	1.5
91.05484	49.0
93.03403	4.2
93.07052	15.6
95.04972	13.9
95.08612	11.0
97.06549	8.2
103.05450	8.8
105.03376	3.0
105.06395	2.1
105.07038	20.8
106.04151	2.1
106.75240	1.3
107.04946	4.8
107.08624	11.6
108.05737	5.4
108.43225	1.3
109.06522	42.4
109.10148	3.8
111.08081	30.5
115.05445	5.1
116.06254	1.8
117.06998	4.5
118.04169	8.5
119.04945	46.1
119.08575	15.8
121.02876	5.3
121.06523	14.2
121.10143	13.1
123.04448	7.7
123.08059	17.3
123.11736	7.7
123.12579	1.4
128.06248	3.2
129.07034	7.2
131.04961	6.3
131.08563	5.4
132.05719	1.5
133.02850	1.8
133.06497	9.7
133.10115	12.4
134.03667	1.4
135.04419	3.4
135.08040	5.6
136.05208	14.9
137.05945	4.9
137.09622	6.4
137.12186	1.3
137.13232	2.5
143.08566	4.3
144.05797	1.6
145.06505	4.7
145.10097	3.6
146.03641	14.1
146.07256	7.3
147.04433	34.2
147.08083	9.1
147.11687	22.5
148.05171	4.7
149.02345	32.1
149.05994	7.1
149.09613	18.5
151.07552	23.3
155.06126	1.4
156.09340	10.2
157.06514	3.3
159.08015	3.8
161.05986	100.0
161.09613	24.9
161.13222	8.8
163.03955	9.1
163.07549	2.2
163.11192	4.3
164.04698	41.0
165.05434	2.5
165.09135	5.8
165.12781	11.5
171.11697	9.3
174.03145	9.7
174.06778	4.2
174.10399	5.9
175.03928	8.7
175.07585	2.8
176.08336	23.8
177.05502	6.2
177.09073	3.7
179.07045	37.3
179.08591	2.6
179.10529	2.4
189.05469	3.0
189.09117	28.5
189.12746	25.0
190.02698	2.9
191.03322	3.2
192.04143	14.2
192.07898	1.6
206.09747	2.1
207.06538	86.1
207.10109	18.4
207.13794	31.8
208.06931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.05878	1.3
55.05518	6.3
57.07068	4.1
59.04991	2.0
65.03929	2.2
67.05507	32.9
69.03406	5.1
69.07058	4.2
69.66721	3.1
69.67136	3.9
71.04977	2.0
78.67479	1.0
79.05482	7.3
81.03410	1.0
81.07069	8.8
83.05002	5.0
85.02905	1.6
85.06538	10.3
91.05479	13.6
93.07045	14.8
95.04995	5.4
95.05489	1.0
95.08610	100.0
96.08971	1.1
97.06521	2.3
98.20843	1.5
98.97594	1.2
103.05434	1.2
105.07042	19.0
107.04949	1.7
107.08595	21.3
109.06481	5.7
109.10151	5.0
111.08078	1.8
113.05990	4.2
117.07030	2.2
119.04922	3.5
119.08587	32.7
120.08081	2.2
121.06525	5.0
121.08426	3.7
121.10150	19.9
121.85596	1.2
123.04420	2.7
123.08071	63.7
123.11694	7.9
128.06233	1.2
129.07022	1.9
131.08592	7.8
133.06468	2.3
133.10146	7.6
134.06012	1.1
135.08041	2.9
135.11703	4.2
137.09621	4.1
137.13242	1.9
139.07564	2.8
143.08566	2.7
145.06525	1.4
145.10150	2.0
147.04396	3.2
147.08018	5.3
147.11707	14.0
149.02399	1.1
149.09624	42.9
151.07533	4.4
151.14824	5.2
156.09354	3.6
159.08107	2.0
159.11736	1.8
160.05185	1.8
161.05986	14.4
161.09668	5.2
161.13255	20.1
163.11166	3.9
164.04646	1.4
165.09155	1.5
165.12759	13.2
171.11702	4.7
174.10378	4.9
175.03802	1.4
179.06976	1.3
179.14302	2.8
189.09065	6.6
189.12746	19.0
192.04205	1.2
202.73975	1.1
207.06517	4.7
207.13817	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	9.0
55.01863	2.9
55.05514	7.0
57.07078	1.0
65.03948	2.4
65.78946	0.9
67.05508	28.6
69.07078	6.7
71.04982	1.8
71.50788	2.1
73.06555	1.6
77.03928	2.4
79.05498	48.2
81.03417	2.2
81.07059	23.1
83.04968	2.8
83.08601	2.7
85.06528	2.7
91.04906	2.0
91.05487	59.5
93.07049	100.0
94.07381	1.5
95.04472	1.2
95.04987	15.0
95.08607	10.6
97.06521	1.9
97.10183	1.0
98.73505	1.0
103.05504	1.2
105.04510	4.2
105.07037	31.2
107.04951	2.2
107.08595	10.3
109.06536	4.8
109.10174	1.7
115.05454	1.2
117.07011	6.0
119.04946	1.0
119.08591	18.1
121.06525	2.3
121.10120	3.6
123.04527	1.1
123.08043	3.8
129.07018	9.9
131.08542	1.6
133.06456	1.0
133.10127	7.4
135.11702	2.1
143.08568	5.5
145.09085	1.0
145.10135	11.3
147.08061	2.4
147.11699	56.8
149.09663	2.3
151.07565	1.2
161.09575	4.1
161.13263	8.6
164.04677	1.1
165.12601	1.0
171.11691	21.0
189.12753	12.7
192.09340	2.4
207.06543	3.7
207.09930	2.0
207.11752	3.1
207.13777	23.8
207.17325	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.07655	0.8
55.01876	1.2
55.05515	6.9
57.03427	1.4
57.07068	3.5
59.05003	1.1
65.03937	1.7
67.05510	31.0
69.03426	4.8
69.07059	2.6
69.51975	6.5
71.04994	2.0
72.25607	0.9
79.05494	4.6
80.96911	0.9
81.07073	7.8
83.04983	3.7
83.08633	1.4
85.02904	2.6
85.06551	8.7
91.00434	0.8
91.05491	11.5
93.07048	15.4
95.04987	5.3
95.08616	100.0
96.08997	1.0
97.06550	1.5
98.21462	1.8
98.97561	0.9
103.05493	1.2
105.06395	1.6
105.07041	18.1
107.04958	1.6
107.08611	18.9
108.05762	1.0
109.06516	6.0
109.10148	3.9
111.08106	2.0
113.06007	3.9
115.05496	1.2
117.07021	1.8
119.04926	3.8
119.08595	25.9
120.08143	1.6
120.09441	1.0
120.11613	0.9
121.06529	5.1
121.08450	3.2
121.10155	14.4
123.04434	3.4
123.08080	55.2
123.11725	6.9
128.06216	2.2
129.07002	2.0
131.08580	5.4
133.06505	2.4
133.07518	0.9
133.10139	6.8
135.08028	3.9
135.11694	3.0
137.09607	3.4
137.13263	2.0
139.07550	1.6
143.08534	2.7
145.06456	1.7
145.10121	3.5
146.07184	1.0
147.04430	2.7
147.08060	7.0
147.11711	14.1
149.02365	1.9
149.09634	36.2
151.07516	4.2
151.14832	3.3
156.09329	3.4
159.08069	2.7
160.05246	2.4
160.08821	1.6
161.06006	12.1
161.09593	4.9
161.13260	18.7
163.11188	3.1
165.09160	2.3
165.12741	8.9
171.11671	3.9
174.10420	3.8
175.03839	1.7
179.06998	2.0
179.14331	2.8
189.09154	6.9
189.12762	18.6
196.66623	0.9
207.06540	3.6
207.10242	2.4
207.13820	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	1.4
53.03953	10.8
54.11583	1.0
55.01863	2.1
55.05513	8.2
62.05835	1.1
65.03941	1.3
67.05510	27.7
69.07072	8.0
71.04980	3.5
77.03905	1.2
78.11537	1.0
79.05496	53.8
81.07059	24.6
83.04967	2.6
83.08625	3.1
85.06545	3.8
91.05482	56.7
93.07047	100.0
95.04964	12.0
95.08609	13.8
96.50875	1.3
97.06535	1.6
105.04514	4.8
105.07030	28.6
107.04952	1.9
107.08600	16.0
107.57629	1.0
109.06516	3.9
109.10155	2.0
111.08096	1.2
117.07014	6.0
119.04955	1.9
119.07820	1.7
119.08591	20.8
121.06483	2.0
121.10126	3.5
123.08063	4.7
127.07520	1.8
129.07001	9.2
131.08571	1.6
133.06520	1.4
133.10149	10.2
135.11711	5.4
137.09613	1.9
143.08556	4.7
145.10120	11.0
147.04346	1.3
147.08022	2.2
147.11693	60.0
151.07541	1.5
151.11174	1.4
161.09622	3.9
161.13258	9.4
171.11714	19.0
188.96065	1.1
189.12752	12.0
189.16328	5.3
192.09308	4.4
207.02950	1.5
207.06557	3.2
207.09949	1.1
207.11713	6.1
207.13808	23.2
207.17407	4.0
219.75130	1.1
229.63419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02380	1.6
52.10290	0.9
53.03952	9.1
55.01869	2.9
55.05514	8.4
65.03933	2.3
65.90964	0.6
67.05511	27.5
69.03472	0.8
69.07073	8.4
71.04989	2.8
71.48573	0.7
73.06564	1.1
75.34140	0.7
77.03949	1.4
79.05502	49.9
79.63422	0.7
81.03422	2.6
81.07066	26.8
82.07389	0.7
83.04982	4.1
83.08633	3.1
85.02933	0.8
85.06539	3.4
91.05491	59.1
92.05814	0.7
93.07053	100.0
94.06557	0.8
94.07394	1.3
95.04989	15.2
95.08621	12.3
97.06535	2.3
97.10186	1.3
103.05462	1.2
105.04544	4.7
105.07043	32.0
107.04969	2.1
107.08604	13.3
109.06567	5.6
109.10161	2.1
109.16080	0.7
111.16748	0.7
115.05508	1.3
115.96472	2.6
116.97233	1.2
117.07021	5.1
119.04950	3.3
119.08591	19.9
121.06515	3.3
121.10149	3.7
121.26864	0.7
123.08104	4.1
123.11741	1.6
127.07578	0.9
128.06241	1.3
129.07021	8.0
131.08577	2.0
133.06558	1.0
133.10143	7.5
133.97510	1.2
135.11700	3.5
136.05183	0.9
141.81117	0.9
143.08559	6.2
145.10135	8.4
146.03685	1.1
147.04427	3.2
147.08057	1.6
147.11702	60.0
148.12044	1.1
149.02391	2.4
149.09656	1.4
151.07582	2.2
161.09612	4.1
161.13283	9.3
164.04715	4.3
165.09109	1.1
165.12712	1.2
171.11703	20.8
174.03036	1.1
175.03937	1.5
179.07074	3.1
189.12793	10.7
189.16414	3.3
192.04193	1.9
192.09323	4.3
207.02846	0.9
207.06529	8.1
207.11714	5.4
207.13867	22.5
207.17542	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	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02381	1.4
53.03950	7.6
55.01883	2.1
55.05518	9.1
57.03441	0.7
57.07079	1.3
58.12817	0.5
65.03954	2.1
67.05513	27.9
69.07077	7.7
70.43802	0.6
71.05003	2.9
72.31889	0.6
73.06574	0.7
77.03922	2.3
79.05505	52.1
81.03423	1.8
81.07069	24.4
83.04993	3.6
83.08629	3.5
85.02912	1.3
85.06562	3.4
86.22698	0.7
87.04478	1.5
91.05493	59.6
93.07056	100.0
94.07365	1.3
95.04974	13.8
95.08617	10.3
97.06548	2.6
97.10167	1.9
103.05489	1.8
105.03420	1.0
105.04525	5.3
105.07045	30.2
107.04979	2.4
107.08610	11.3
109.06538	5.6
109.10154	1.7
111.08080	1.3
115.05480	1.4
115.96442	1.3
116.97249	0.8
117.07021	5.4
118.04102	0.7
119.04979	4.5
119.05750	0.7
119.06135	0.5
119.08601	17.9
121.06522	3.3
121.10174	2.5
123.04468	1.0
123.08089	4.4
123.11698	0.9
127.07547	1.0
128.06232	1.5
129.07011	9.2
130.07822	0.8
131.08609	1.7
133.06500	1.7
133.10159	6.7
135.11673	1.4
136.05211	1.4
137.09711	0.6
143.08586	5.6
145.10149	9.0
146.03600	1.0
147.04456	3.5
147.08052	3.7
147.11707	61.1
148.12030	1.4
149.02347	3.8
149.09644	1.1
151.07544	2.7
161.06020	0.8
161.09656	3.7
161.13269	10.5
163.03850	0.8
163.11166	0.7
164.04692	4.1
171.11713	21.6
174.03162	0.9
177.05516	0.8
179.07080	3.6
189.12764	11.8
192.04207	1.2
192.09454	0.8
207.02946	0.9
207.06544	11.0
207.09906	1.0
207.11720	1.8
207.13812	22.8
207.17387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01863	8.6
56.96571	13.0
57.03440	24.3
58.99851	2.6
59.35937	1.6
60.72781	1.6
61.02935	14.9
65.92644	1.9
67.05496	2.5
68.98273	4.5
69.03435	20.3
69.39555	12.5
71.04985	3.0
73.02914	21.8
75.04509	2.2
77.00909	3.0
77.58324	1.7
79.05482	4.5
81.03423	9.6
82.01441	5.5
82.99838	4.4
83.04980	3.8
83.86256	1.7
85.01415	2.4
85.02904	24.3
86.03705	2.5
86.99327	3.7
87.04481	2.3
89.00809	3.3
91.05489	4.4
93.07048	3.9
94.02672	2.6
95.04958	2.6
96.02396	2.5
97.01418	14.0
97.02898	21.0
98.01308	2.9
98.97584	25.3
99.04451	4.2
100.02473	14.9
101.00866	29.1
102.00956	5.1
102.02382	3.1
103.00620	5.9
103.02406	5.2
103.03884	2.5
105.00362	3.4
105.07044	3.4
106.00465	1.9
107.00712	1.8
107.04956	13.8
108.02404	4.3
109.01352	2.3
109.02882	5.3
110.01297	5.8
110.97572	9.1
111.02930	5.5
111.04449	4.3
113.00870	13.7
113.02356	3.7
115.00593	6.7
115.02436	37.5
116.98624	5.1
117.02139	2.4
117.02917	4.6
117.03940	4.4
118.03485	3.8
119.01898	38.3
119.04900	2.5
119.51990	2.3
120.02080	2.7
121.01653	6.7
123.02901	3.3
123.52990	2.2
125.00858	5.4
126.02500	3.1
126.03373	4.1
127.02428	3.4
127.03923	4.9
128.02293	3.4
128.03912	2.2
128.98586	4.1
129.02933	2.8
129.03975	5.6
131.01880	25.7
132.03404	3.8
133.01685	10.3
133.03447	14.3
135.03085	5.4
136.03633	1.8
137.02914	5.5
138.03389	3.4
139.02409	5.8
140.02298	2.0
140.05589	3.2
140.98598	2.9
141.04007	3.5
142.03497	3.2
143.00150	3.9
143.01901	44.3
144.00919	2.4
144.02043	4.2
144.03378	3.2
145.01625	2.6
145.03474	9.5
145.04532	1.8
146.02306	3.6
147.04172	2.3
149.02864	4.0
152.02333	3.7
153.03978	5.2
155.01892	15.8
155.05537	2.2
156.03288	10.6
157.03470	16.7
157.04713	2.5
158.03700	2.6
158.06636	5.3
158.99644	7.3
159.05040	2.7
160.04500	1.9
161.02959	100.0
162.03195	2.2
163.02623	3.6
164.07062	1.7
165.04062	2.8
165.05399	2.2
165.96599	2.9
166.03508	6.5
167.01918	8.3
167.07068	3.0
170.99675	4.8
171.01390	5.3
171.05084	2.9
173.01414	2.5
173.02939	14.1
175.04456	5.8
177.00758	4.5
177.04091	2.5
179.03989	10.6
179.05386	2.7
180.04486	2.5
181.07065	4.5
182.03488	2.4
182.99657	2.7
183.01350	2.5
183.04958	4.2
184.02829	2.5
184.04552	52.8
185.01370	2.8
185.02979	41.3
185.04602	3.2
187.04483	2.7
189.00662	5.5
191.03941	2.5
197.03055	1.8
199.08078	2.7
201.00694	4.1
201.02440	2.6
202.02589	4.0
202.05605	3.7
203.03978	10.7
207.05136	4.8
208.04454	6.1
208.09676	6.9
209.02837	2.4
215.04004	2.5
219.01805	5.1
221.05046	5.8
225.02429	5.7
225.06059	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	206.045
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
56.96573	1.0
62.58224	0.3
69.83427	1.6
78.09672	0.4
79.25272	0.4
85.02890	0.4
87.04472	2.2
89.03942	0.5
91.05473	0.6
95.04998	0.5
95.76034	0.3
104.05019	1.1
120.08102	3.8
132.04465	26.2
135.04445	0.6
145.02780	0.5
149.02359	0.8
150.02718	0.4
160.03963	1.4
163.03833	1.7
165.05501	1.2
178.05011	100.0
179.05353	1.2
186.48004	0.3
206.04503	50.7
206.11826	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	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
57.80166	0.3
68.29256	0.3
68.99792	0.6
69.78549	1.8
70.02951	0.7
76.21407	0.3
79.05527	0.4
87.00844	2.0
91.05483	2.6
93.07040	2.9
95.04956	0.3
95.08631	0.4
103.05472	14.7
115.05434	0.5
117.07022	0.6
118.06551	17.7
119.04980	0.3
119.07366	0.4
120.08110	100.0
121.08460	1.1
123.04459	0.5
128.04959	1.9
132.06934	0.3
146.06004	12.2
150.02696	0.6
160.07634	0.6
161.05984	3.3
161.09613	0.8
162.06354	0.4
178.04921	0.4
179.07008	0.5
188.07071	10.0
189.07564	0.4
189.09041	1.8
206.08095	5.2
207.06578	0.7
214.91232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03952	0.9
55.05516	8.6
57.07080	5.6
65.03953	1.2
67.05511	11.3
69.03465	0.4
69.07074	10.1
71.01600	0.9
71.08633	0.6
75.03109	0.5
76.14487	0.4
76.66291	0.4
77.03983	0.4
79.05500	10.3
81.03460	0.6
81.07062	37.6
83.05009	2.5
83.08618	3.5
84.69591	0.4
85.02903	0.6
90.34715	0.4
91.05483	6.0
93.07052	28.5
94.07949	0.5
95.05002	0.5
95.08616	20.1
97.02899	1.4
97.10188	1.8
99.04461	0.5
103.05471	0.5
105.07031	7.6
107.04984	0.6
107.08602	29.5
108.08884	0.5
109.02855	0.5
109.10165	16.3
111.11716	0.4
115.05473	1.7
117.07004	3.1
119.08589	5.6
121.02880	1.9
121.06509	0.9
121.10152	10.7
123.11716	100.0
124.12052	1.3
129.07033	0.5
130.07841	0.5
131.08582	3.5
133.10138	3.4
135.08144	0.9
135.11702	53.8
136.12051	0.9
143.08604	0.5
145.06483	2.2
145.10126	7.9
147.11710	2.3
149.02356	10.1
149.09616	0.7
149.13269	22.9
155.06108	0.7
159.11708	1.9
159.38269	0.4
161.13297	0.6
163.14848	2.2
173.05980	1.7
173.13333	2.0
175.07524	0.6
175.14847	5.0
177.09169	0.5
177.12721	0.9
177.16383	1.1
187.03954	0.6
187.07709	0.5
187.11142	0.9
187.14798	3.2
205.05022	0.5
205.08667	2.0
205.12325	2.5
205.14096	0.9
205.15895	7.4
205.19528	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03931	2.7
55.05515	12.1
57.07076	13.3
65.03939	7.8
67.05507	13.2
69.03425	2.2
69.07068	21.3
71.08607	2.1
72.93771	5.2
79.05493	14.6
81.03420	1.5
81.07058	44.3
83.04969	1.0
83.08611	7.8
84.04495	1.4
85.02893	1.4
85.04838	1.5
91.05482	8.6
93.03394	2.2
93.07046	43.3
95.04945	1.8
95.08607	27.9
96.04473	1.7
97.02893	5.9
97.04810	1.3
97.10173	5.6
98.03214	2.2
105.07026	6.4
107.04933	2.0
107.08595	40.7
109.02872	2.1
109.10152	27.2
111.04398	0.9
111.11667	1.8
113.96422	13.5
117.07002	2.3
118.06505	1.0
119.08559	2.4
121.02861	12.9
121.03967	3.7
121.06496	2.3
121.10144	72.6
123.08104	0.9
123.11712	12.6
127.05849	1.3
131.04903	1.2
131.08614	2.6
131.97440	6.2
133.10075	1.7
135.11693	23.5
137.13249	1.9
143.08597	1.2
145.06487	2.5
145.10133	5.0
147.11653	1.4
149.02344	100.0
149.13257	45.5
150.02655	2.1
154.99031	1.4
159.11752	2.1
163.03886	0.9
163.11131	2.1
163.14847	5.9
173.06006	1.3
175.14746	1.0
187.03920	1.7
187.14877	1.2
205.08835	3.8
205.12218	4.0
205.14120	2.7
205.15941	3.6
205.19528	25.5
229.07423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03936	4.0
54.08781	1.8
54.29066	1.8
54.99743	1.9
55.01879	2.2
55.05512	10.3
55.48996	2.0
57.07080	16.5
59.50613	2.0
60.04520	2.7
65.03939	7.2
65.64769	1.8
67.05508	23.9
69.03417	5.7
69.07068	17.4
69.81639	11.1
71.05000	4.3
74.96471	1.7
79.05486	20.4
81.03407	6.4
81.07061	92.0
83.04983	27.5
83.08610	3.0
85.02884	6.3
85.04848	2.2
91.05479	26.9
93.07055	31.8
95.04973	7.8
95.08613	49.4
97.02914	18.2
97.04816	2.0
101.22815	2.1
103.05456	6.9
105.07037	78.8
106.07368	2.1
107.04940	6.6
107.08597	34.6
109.02866	6.5
109.06556	2.2
109.10167	14.1
115.05453	12.1
116.06233	2.5
117.07024	29.1
119.08586	60.1
121.02851	14.6
121.04013	3.0
121.06514	8.6
121.09309	3.4
121.10135	29.6
123.10836	3.8
123.11715	65.2
127.03871	3.3
127.05788	2.2
129.06937	3.6
130.07777	5.0
131.04921	11.9
131.07599	3.3
131.08577	50.5
132.09396	2.5
133.10141	44.5
135.04420	3.3
135.08060	6.7
135.11711	11.0
139.03987	2.0
143.08565	8.5
144.09338	5.5
145.06497	16.8
145.10123	92.8
146.10742	2.2
147.08003	3.3
147.11676	18.7
149.02351	89.2
149.05933	5.2
149.09682	4.9
149.13257	8.0
155.06030	3.5
157.10123	4.1
158.10869	6.0
159.04469	3.1
159.08171	2.7
159.11690	21.2
161.13269	6.7
163.03857	3.8
163.11185	6.3
173.05952	8.5
173.13275	32.2
174.14078	2.3
175.07634	2.4
175.14828	77.6
177.05484	3.8
177.09160	2.8
177.12753	6.0
177.16405	16.9
187.03868	4.7
187.07550	3.4
187.11209	5.9
187.14824	50.7
190.06099	2.5
205.04985	14.3
205.08704	14.5
205.12369	24.5
205.14258	6.4
205.15887	100.0
205.19405	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	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
52.66420	1.9
53.03945	4.3
55.05512	12.8
56.96559	3.5
57.03439	2.2
57.07066	8.6
57.73852	1.8
64.19328	1.8
65.03903	1.9
67.05510	22.2
69.03443	3.0
69.07071	16.3
69.50198	13.1
79.05494	16.8
81.07060	100.0
83.04562	2.4
83.04990	32.5
83.08612	5.9
89.05161	1.6
91.05486	23.1
93.07053	25.3
95.04951	4.9
95.08610	45.7
97.02897	3.8
98.20691	1.7
103.05464	2.8
105.07037	83.1
107.08605	31.3
109.06534	3.5
109.10149	10.8
111.08113	2.3
115.05433	9.0
117.07024	19.4
119.08591	69.5
121.02925	2.6
121.06509	3.9
121.10162	26.3
123.08037	2.6
123.11716	73.9
129.07004	7.1
130.07761	5.1
131.08577	47.0
131.10129	2.0
132.09280	2.4
133.10139	42.4
135.08040	6.4
135.10736	2.1
135.11681	9.4
142.07767	2.1
143.08563	9.1
144.09392	4.1
145.06493	12.6
145.10138	95.0
146.10774	2.5
147.08049	3.0
147.11714	27.5
149.02361	23.2
149.09656	2.6
149.13264	7.0
157.10104	3.2
158.10959	8.7
159.11693	18.8
160.12567	2.8
161.13254	7.1
163.11182	2.8
172.12463	5.2
173.05975	5.8
173.13307	30.4
174.13980	2.9
175.14839	72.9
177.12744	4.0
177.16391	16.0
187.11241	2.9
187.14847	44.6
192.43832	1.9
205.08569	4.6
205.12247	9.9
205.14409	3.5
205.15887	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Mayurone
Peak:m/z	Relative Intensity
52.05894	2.0
55.01855	2.4
55.05512	19.1
57.03437	2.9
57.07056	8.1
59.04974	2.1
65.03935	3.3
67.05494	9.2
69.07072	31.6
71.77784	1.9
79.05488	21.4
81.07057	15.4
83.04961	4.9
83.08619	15.2
85.06585	2.0
91.05479	20.5
93.07042	39.1
95.08610	39.5
97.26446	2.0
98.20740	5.4
98.21458	8.6
105.07032	32.5
107.08596	98.5
109.02908	2.6
109.06509	2.9
109.10144	15.6
117.07010	18.5
119.08578	75.7
121.06486	3.5
121.10140	81.2
123.08105	3.5
123.11684	4.4
127.05978	2.1
129.06995	3.4
130.07777	7.2
131.08574	25.0
133.10126	51.1
134.81703	2.0
135.08025	7.7
135.11687	21.4
137.09555	2.1
143.08575	11.4
144.09294	4.2
145.10124	85.5
147.11702	11.8
149.02335	8.3
149.09634	8.0
149.13260	12.8
157.10109	7.6
158.10905	6.9
159.11667	22.4
160.12494	3.6
161.13261	8.4
163.11177	82.7
163.14818	8.8
172.12405	3.3
174.13945	2.4
175.13310	5.2
175.14830	98.6
177.16389	43.0
187.14819	53.8
190.13531	2.5
194.93057	2.3
205.15883	100.0
205.19469	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03953	3.4
55.05520	12.5
56.62474	2.2
57.07083	14.5
58.51411	2.1
59.04998	2.0
60.04534	3.8
60.31031	1.9
65.03925	7.6
65.04239	2.6
67.05513	21.5
69.03420	5.5
69.06802	1.9
69.07079	20.3
71.49114	3.2
72.93771	2.7
79.05492	16.3
81.03406	7.0
81.07061	75.1
83.04990	21.9
83.08614	9.1
83.74091	2.0
83.78023	1.9
84.04484	2.3
85.02905	3.9
91.05482	24.5
93.07056	34.2
93.37045	2.3
95.04949	5.7
95.08067	3.7
95.08617	47.9
96.20604	2.0
97.02914	16.9
97.04860	3.3
98.03227	5.8
103.05473	4.4
103.50383	2.4
105.07039	77.5
107.04932	4.5
107.08601	39.4
109.02879	5.4
109.06512	3.7
109.10152	18.8
111.08080	5.2
113.96386	2.6
115.05450	5.0
117.07023	19.5
119.08594	55.4
121.02863	11.2
121.03995	5.1
121.06529	7.8
121.10146	38.6
123.08084	2.5
123.11718	50.6
127.03906	3.5
127.05847	7.3
129.07002	4.4
130.07831	5.1
131.04930	4.8
131.08586	41.4
133.06464	1.8
133.10146	37.8
135.08037	3.8
135.11684	14.7
143.08562	7.7
144.09319	4.2
145.06496	8.6
145.10135	77.6
147.11708	43.4
149.02359	74.4
149.09641	4.0
149.13293	11.3
155.06038	2.4
157.10129	3.8
158.10927	5.7
159.04396	2.0
159.11717	19.6
161.13266	8.9
163.04051	2.3
163.11192	4.1
163.14891	4.0
172.12567	2.3
173.05968	3.1
173.13281	28.6
175.14844	60.1
177.12814	4.0
177.16383	23.0
187.03983	2.3
187.11163	2.8
187.14851	43.7
205.04959	5.4
205.08659	10.4
205.12245	10.8
205.14201	8.4
205.15895	100.0
205.19521	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	205.1588
Annotation	Mayurone
Peak:m/z	Relative Intensity
53.03945	3.4
53.61265	2.0
55.01864	3.4
55.05512	15.2
57.07063	9.8
62.82897	2.1
65.03927	2.5
67.05498	10.1
69.07070	33.6
69.77827	2.2
70.62405	5.1
71.04980	2.5
79.05492	16.2
81.07066	16.5
83.04974	5.4
83.08614	12.6
91.05476	22.8
93.07046	40.3
95.05007	3.4
95.08602	34.5
97.02908	4.8
97.10191	3.4
103.05450	2.8
105.07034	32.8
107.04971	3.1
107.07886	4.6
107.08603	80.9
109.06532	5.1
109.10168	13.1
111.08087	3.2
113.96416	2.3
115.05462	3.4
117.07005	12.3
119.08591	56.5
121.02832	3.2
121.06496	6.0
121.10155	79.2
123.08109	3.1
123.11698	5.7
129.06982	5.5
130.07787	7.3
131.08588	21.4
133.10144	39.9
135.08057	7.1
135.11690	21.1
143.08571	8.6
143.34146	2.2
144.09427	2.6
145.06458	3.5
145.09079	3.7
145.10132	59.1
147.11678	12.3
149.02361	28.8
149.09631	9.2
149.13287	14.4
157.10158	3.4
158.10924	6.7
159.11705	16.0
160.12155	2.4
161.13264	12.4
163.11194	100.0
163.14815	13.0
172.12422	5.3
175.13326	3.0
175.14839	60.0
177.16380	31.3
187.03810	2.5
187.14839	45.1
205.12384	3.0
205.14326	3.2
205.15889	82.7
205.19566	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
51.44250	2.7
53.18239	2.8
55.05500	11.5
57.07077	10.5
60.73460	2.6
67.05505	19.4
69.07089	21.8
79.05495	16.7
81.07068	100.0
83.04985	37.7
83.08618	6.6
91.05486	25.0
93.07058	26.8
95.04965	4.4
95.08620	52.9
97.02893	6.0
97.10181	2.9
105.07043	90.7
107.08595	31.1
109.02836	3.5
109.10166	11.0
116.06187	2.8
117.06254	3.1
117.07008	13.9
119.08602	70.3
121.02903	3.8
121.06493	3.0
121.10152	26.8
123.08060	2.8
123.11719	79.2
129.07018	3.8
130.07809	4.5
131.08597	49.2
133.10162	42.9
135.08096	7.0
135.11697	4.8
143.08560	11.0
144.09306	6.0
145.10144	97.1
147.11700	26.7
149.02364	21.9
149.13274	3.6
158.10895	7.3
159.11711	19.4
161.13309	6.6
173.13312	32.3
175.14839	84.8
177.16470	16.0
182.85368	2.6
187.14853	60.2
205.15889	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
52.86315	1.5
53.03939	1.9
55.05518	9.2
57.07072	9.9
62.15120	1.6
65.03939	2.4
67.05505	19.3
69.06767	1.8
69.07070	15.2
69.54159	5.5
69.54591	6.5
78.91288	1.6
79.05505	13.7
81.07062	89.5
83.04986	31.7
83.08611	5.5
84.24760	2.1
85.02917	2.6
91.05492	21.7
93.07051	22.6
95.04964	3.6
95.08609	52.1
97.02872	3.9
97.10191	2.0
103.05497	2.3
105.07037	81.4
107.04950	2.1
107.08610	29.9
109.10163	8.1
109.35082	1.9
115.05468	3.0
116.06239	1.8
117.07013	14.5
119.07722	3.5
119.08584	65.6
121.02888	2.6
121.06541	3.7
121.10156	27.6
123.11709	70.3
129.06970	5.9
130.07779	5.2
131.08574	48.6
133.10144	43.8
135.08081	4.8
135.10768	2.1
135.11699	8.2
143.08553	5.8
144.09302	4.8
145.10130	100.0
147.11693	25.3
149.02332	18.6
149.13246	3.5
157.10135	5.3
158.10912	8.1
159.11700	18.9
160.12482	2.2
161.13257	5.2
172.12457	3.4
173.13269	35.5
174.13773	2.1
175.14828	79.0
177.16385	14.4
187.14836	45.5
205.14323	3.5
205.15883	91.6
206.16260	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07063	0.6
58.24636	0.5
62.27828	0.5
71.33175	1.2
74.02445	1.6
91.05477	1.7
97.02930	0.7
103.05460	0.6
110.02066	0.6
115.05419	4.0
117.05764	1.6
117.06993	3.3
118.06542	45.4
119.06927	0.5
120.58582	0.5
121.02869	0.9
130.06514	4.0
132.08098	10.9
140.29060	0.5
142.06514	4.8
143.07320	6.7
144.08087	20.1
144.71965	0.5
145.06520	0.7
145.67874	0.5
146.06009	100.0
147.06407	0.9
149.02345	5.2
155.06070	0.6
159.09175	10.6
160.07585	1.8
170.06004	7.5
177.12698	0.8
188.07069	85.4
189.07379	0.8
201.86433	0.6
205.12308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01631	1.8
55.01880	3.5
55.05513	18.0
57.07088	10.8
59.04988	2.2
65.03964	2.3
67.05501	9.8
69.06734	2.7
69.07074	36.9
70.68818	3.9
70.69157	3.4
71.08657	3.2
79.05494	19.5
81.03421	2.1
81.07069	20.2
83.04986	4.7
83.08629	15.3
91.05488	17.3
93.07044	37.6
95.05001	2.8
95.08613	45.2
97.02901	3.5
97.10160	3.9
103.05411	3.4
105.07047	33.9
105.40060	1.8
107.08602	93.7
109.02856	1.9
109.06532	3.9
109.10172	16.5
113.96405	2.0
117.07011	22.5
119.08591	63.8
120.08902	2.3
121.02889	4.1
121.06521	7.3
121.10152	82.6
123.08060	3.9
123.11717	5.4
128.06180	2.2
129.06999	4.2
130.07780	6.5
131.08588	30.7
133.10143	54.7
134.10490	3.1
135.08083	6.5
135.11699	27.5
143.08592	12.0
144.09348	2.5
145.06480	4.2
145.10133	75.9
147.11705	11.2
149.02361	25.7
149.09607	10.1
149.13287	14.7
157.10144	5.2
158.10922	8.7
159.11688	23.5
161.13258	11.7
162.10341	2.3
163.11195	67.7
163.14816	8.1
164.11668	1.9
172.12498	5.9
173.13321	4.1
174.14091	2.3
175.14847	85.8
177.12869	2.1
177.16420	45.9
187.11192	1.8
187.14838	53.2
187.17459	2.1
190.13463	2.2
205.05032	2.5
205.12219	3.6
205.14331	4.3
205.15894	100.0
205.19635	13.7
206.16362	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.28772	0.8
55.05514	13.0
57.07074	1.6
65.03927	1.7
67.05507	13.2
69.06725	1.6
69.07071	14.6
77.13419	0.9
79.05482	6.9
81.07059	13.7
83.08618	3.5
84.04510	1.9
91.05486	15.7
93.07050	11.2
95.08611	34.7
96.04490	1.2
97.10152	2.0
105.07033	47.3
107.08604	21.0
109.10160	26.0
117.07022	3.0
119.08587	62.2
121.10149	12.6
123.11720	3.2
126.05517	3.1
131.08551	7.7
133.10138	74.4
135.11678	4.4
142.04495	0.9
143.89920	1.0
145.10120	9.7
146.10849	1.8
147.11696	56.0
159.11697	7.7
160.12454	3.8
161.13271	26.3
164.12495	1.1
173.13324	1.5
174.14056	5.0
175.14851	9.3
203.03493	1.2
203.14348	3.4
203.17969	100.0
204.08675	2.0
204.18369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Curcumene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05512	9.5
56.81773	1.0
57.07068	3.3
60.04535	5.7
65.03949	1.1
65.38670	1.0
67.05191	1.0
67.05515	15.0
68.05011	2.2
69.03416	1.1
69.07072	11.5
69.66111	2.4
69.66517	4.1
71.08593	1.4
72.39774	0.9
77.19468	0.9
79.05499	10.3
80.04414	1.0
81.07064	21.0
83.05002	2.1
83.08621	3.1
84.04491	4.7
85.02877	2.2
91.05484	21.5
93.07044	13.0
95.04972	2.8
95.08611	41.0
96.04494	3.0
97.02892	5.1
97.10193	1.6
99.04446	1.4
103.05441	2.3
104.06233	1.4
105.03383	1.1
105.07037	65.3
107.08585	17.3
109.06528	2.1
109.10167	35.2
110.06004	1.4
114.05527	3.8
115.05439	5.6
117.07016	10.5
119.04913	1.9
119.08585	61.5
121.10154	16.8
123.11702	8.0
123.52259	1.0
126.05515	4.8
126.22607	1.1
128.06224	2.2
129.07007	7.9
131.04874	1.4
131.08583	8.2
132.05714	1.9
133.06447	1.0
133.10135	46.8
135.11679	2.8
138.05539	1.3
139.11269	1.1
142.07777	2.7
143.04916	1.1
143.08589	2.2
144.08022	1.3
145.06485	6.2
145.10135	10.0
146.10904	1.4
147.04398	4.5
147.08028	4.5
147.11691	97.6
155.06059	2.0
156.08052	5.0
157.06491	3.0
157.10104	3.3
159.11707	4.3
160.05177	3.6
160.12463	4.8
161.06010	6.1
161.09633	2.0
161.13268	19.1
166.36461	1.0
168.06573	1.6
170.10948	1.0
173.05969	4.1
174.09035	1.2
175.03964	2.2
175.07527	8.0
175.11264	1.2
175.14742	6.7
185.05849	2.3
185.09636	2.2
186.09167	1.4
188.04666	1.6
188.08281	1.7
188.15616	1.7
203.03502	5.9
203.05109	2.1
203.06935	13.3
203.08725	1.7
203.10562	6.7
203.14313	4.6
203.17960	100.0
204.08609	3.5
204.13889	3.2
204.18256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03935	2.3
55.05516	12.3
57.07083	2.2
58.46236	0.9
58.85840	1.0
63.53989	0.8
67.05509	11.9
68.05006	1.4
68.46666	1.1
69.07076	15.7
70.20218	3.7
70.94266	0.9
79.05493	7.7
81.07063	16.6
83.08642	5.2
84.04489	4.3
91.05482	19.0
93.07040	14.1
95.04970	1.2
95.08606	33.4
96.04484	3.3
97.02883	3.2
97.10151	2.1
98.21553	1.0
103.05480	1.4
105.07034	61.1
107.08587	19.4
109.10165	21.8
114.05552	2.5
117.07030	2.5
117.58015	1.0
119.08584	54.8
121.10141	15.4
123.11698	4.0
126.05531	5.7
128.06236	1.1
129.07033	1.0
131.08565	6.3
133.10135	59.0
135.11671	4.5
138.05505	1.3
144.06607	1.1
145.10121	8.9
146.10881	1.5
147.04457	1.1
147.11694	59.6
159.11742	6.4
160.12497	3.9
161.13257	28.2
168.06535	1.0
173.13220	1.5
174.14038	2.6
175.14827	7.2
185.13261	0.9
203.10695	1.8
203.14281	4.1
203.17969	100.0
204.08653	2.5
204.13870	3.2
204.18382	1.3
210.34161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.39051	0.8
53.03946	1.6
55.05513	13.2
56.68078	1.2
57.07059	2.6
60.04519	2.7
65.03942	1.4
67.05501	17.2
68.05007	3.5
69.07073	17.8
70.06561	1.1
71.49486	1.4
72.30906	0.8
79.05492	9.0
81.07058	18.2
83.08617	6.1
84.04510	7.8
85.02912	1.2
91.05483	19.2
93.07043	16.5
93.12355	0.9
95.08607	36.1
96.04491	6.4
97.02911	6.9
97.10168	2.6
98.06028	1.4
103.05424	1.3
105.07034	56.9
107.08595	19.3
109.10159	25.7
110.06022	1.0
114.05516	4.6
117.07013	3.3
118.07781	1.0
119.08585	61.2
121.10152	16.1
123.11693	4.1
126.05531	10.1
128.06139	1.0
128.19876	1.0
131.08566	5.5
133.10135	65.9
135.11703	4.4
137.12958	0.9
138.05545	0.9
144.06552	2.5
145.10162	9.1
146.10934	1.0
147.11696	58.5
149.13223	0.9
159.11694	7.2
160.12494	4.2
161.09576	1.8
161.13268	29.5
164.98466	1.2
173.13326	1.5
174.14058	2.8
175.14798	8.4
176.08009	1.0
188.15613	1.9
203.03452	2.1
203.07014	1.1
203.10728	2.9
203.14247	4.2
203.17967	100.0
204.08720	4.5
204.13844	2.8
204.18391	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.07639	1.3
50.86396	1.4
52.05220	1.0
52.16881	1.1
53.03935	1.5
55.05511	10.1
56.12754	1.4
57.07071	2.0
67.05505	29.3
69.07072	14.5
69.68544	3.5
69.68960	4.1
79.05488	8.9
81.07058	49.3
83.08632	6.0
89.11448	1.1
91.05481	16.3
93.07050	22.4
95.08611	80.2
97.10150	2.3
98.21450	2.0
105.07037	58.9
107.08592	35.1
109.10164	66.9
115.05441	2.4
117.07022	3.1
119.08588	54.8
121.09341	1.8
121.10164	19.7
123.11729	8.7
131.08586	4.9
133.09129	2.1
133.10135	38.6
134.10587	1.2
135.11687	4.9
143.08665	2.0
145.10190	5.8
147.11694	64.2
159.11678	2.7
160.05119	1.9
160.12471	2.1
161.13264	22.4
175.07550	4.1
175.14796	9.9
185.09624	1.8
203.07063	4.6
203.10687	2.6
203.17970	100.0
203.39392	1.2
204.08757	1.5
204.18274	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03949	1.6
55.05515	13.1
57.07064	3.8
60.04512	2.1
67.05505	16.8
68.04993	1.3
69.07076	12.7
70.00909	5.4
79.05502	7.0
81.07061	17.2
83.08630	9.2
84.04492	4.1
91.05478	19.0
93.07051	14.7
95.08608	48.7
96.04469	3.9
97.02891	4.0
97.10168	2.0
99.53163	1.2
101.00102	1.2
103.05478	1.2
105.07034	69.6
107.08599	21.2
109.10158	30.9
114.05529	4.3
117.07021	2.8
119.08585	67.6
120.01016	1.0
120.70898	1.0
121.10147	22.4
123.11707	4.4
126.05521	4.9
129.06946	2.1
131.08553	4.6
133.10135	63.9
135.11705	6.0
145.10146	7.9
147.11696	64.9
148.12341	1.2
159.11705	3.7
160.12479	4.7
161.13275	32.3
173.13203	1.6
174.14076	3.4
174.57109	1.4
175.14850	8.4
180.66444	1.2
185.13277	2.1
188.15683	1.8
203.03334	1.5
203.10616	2.1
203.14250	4.5
203.17964	100.0
204.08670	2.4
204.13864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03949	1.4
55.05518	5.9
57.07066	2.6
60.04518	0.9
67.05508	17.8
68.05027	0.7
69.07076	8.5
69.60350	2.1
69.60774	2.3
79.05494	5.8
81.07062	27.1
81.79332	0.7
83.08616	2.8
91.04984	1.1
91.05498	12.3
93.07055	12.9
95.08613	69.7
96.04488	1.2
96.08967	0.8
97.02893	1.1
97.10165	1.1
100.23992	0.6
102.86761	0.7
105.07038	40.1
107.08603	16.2
109.10168	33.1
109.10744	0.4
109.10951	0.9
110.55953	0.8
115.05454	3.2
115.40704	0.7
117.06995	4.2
119.08591	41.2
121.10153	15.4
123.08069	0.7
123.11722	12.3
126.05531	1.2
128.06183	2.3
129.06995	2.6
131.04921	1.0
131.08621	4.6
132.05704	1.3
133.06517	1.0
133.10144	26.3
135.11674	3.1
141.06967	0.7
142.07791	2.9
143.04976	1.3
143.08588	4.7
145.06454	1.5
145.10124	5.8
147.04422	1.3
147.11700	66.9
155.69341	0.8
157.06519	0.8
157.10121	4.9
159.11673	3.2
160.05228	3.4
160.12505	3.9
161.05972	0.7
161.13278	13.5
170.10988	0.8
173.13307	1.2
174.14061	0.9
175.07574	6.1
175.14903	3.6
185.05801	0.8
185.09625	1.0
188.04669	1.7
188.15596	1.9
203.03401	1.6
203.06985	7.5
203.10701	4.8
203.14334	2.3
203.17973	100.0
204.08617	0.7
204.13913	1.1
204.18254	1.5
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	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.59615	0.9
55.05510	14.1
55.05770	1.7
57.07064	4.1
60.04508	1.3
67.05510	15.0
68.05038	1.2
69.03442	1.0
69.07066	18.1
69.25558	8.6
79.05486	12.2
81.06596	1.5
81.07056	22.7
83.08622	5.4
83.14017	1.0
84.04494	2.6
91.05477	22.2
92.84610	1.0
93.07041	16.3
94.18645	1.0
95.04970	1.0
95.08607	41.4
96.04460	2.1
97.02888	1.8
97.10153	2.7
105.07027	71.3
105.76637	1.1
107.08595	24.9
109.10155	31.0
114.05522	2.0
117.07005	4.1
119.08578	72.6
121.10148	18.4
123.11700	4.5
126.05508	4.8
131.08562	6.8
132.09317	1.0
133.10124	66.0
134.10411	1.0
135.11682	3.6
145.10121	10.0
147.11685	61.8
148.12175	1.1
159.11699	7.0
160.12466	5.4
161.09627	1.5
161.13263	33.2
168.06653	1.0
173.13219	2.0
174.14027	1.9
175.14822	8.9
188.15610	1.4
203.10649	2.6
203.14203	3.0
203.17958	100.0
204.08632	1.6
204.13899	1.2
204.18317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.59584	1.1
53.03923	1.5
55.05517	8.9
60.04513	2.7
67.05507	18.7
68.05025	3.7
69.03403	1.7
69.07076	9.5
71.49789	1.7
79.05489	10.7
80.86037	1.3
81.06590	2.0
81.07056	29.6
83.08598	3.3
84.04510	9.1
85.02898	1.9
91.05473	16.9
93.07038	22.8
95.04972	1.3
95.08609	62.8
96.04511	7.2
97.02888	8.0
98.06060	1.8
105.07032	47.8
105.75999	1.3
107.08598	38.7
109.06512	1.3
109.10156	41.3
110.06007	1.5
110.63660	1.2
111.96824	1.8
114.05527	5.7
117.07010	2.9
118.34320	1.1
119.08578	41.5
121.10155	17.3
123.11696	6.9
126.05536	11.4
131.08543	2.8
133.09123	2.2
133.10132	35.6
135.11708	2.6
138.05466	2.1
143.08542	3.6
145.10086	5.4
147.04463	1.6
147.08043	1.5
147.10513	2.4
147.11696	51.1
148.04004	1.3
157.06473	1.5
157.10172	1.6
159.08060	2.0
159.11687	2.3
160.12508	1.4
161.09589	2.7
161.13264	21.9
163.02585	1.7
163.66492	1.2
172.48441	1.3
175.07458	1.4
175.14807	8.7
185.13242	2.7
186.07672	1.6
187.62273	1.3
188.08267	2.3
189.11588	1.7
195.53932	1.3
203.03438	3.8
203.06987	2.8
203.10762	5.5
203.14386	10.0
203.17958	100.0
204.08636	5.4
204.13867	5.3
204.18167	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.96257	1.2
53.03942	1.5
55.05517	17.3
57.07061	2.1
60.20565	1.1
67.05507	18.2
69.06730	1.9
69.07067	18.8
69.27013	6.1
69.27438	4.4
79.05483	10.7
81.07057	23.6
83.08619	4.9
84.04508	1.8
91.05478	24.4
93.07044	21.5
95.08605	43.2
97.02869	1.9
97.10141	3.1
98.20803	2.8
98.21467	2.5
98.95888	1.1
102.12061	1.1
105.07034	77.1
107.08595	34.0
109.05157	1.1
109.10155	32.5
110.16008	1.1
117.06997	3.7
119.08584	63.1
121.10148	12.8
123.11692	5.8
126.05491	1.7
131.08565	7.9
133.10136	76.4
135.11679	4.0
145.10129	7.5
146.10925	2.0
147.11691	61.8
148.12466	1.3
159.11656	7.5
160.12544	2.1
161.09602	2.5
161.13268	28.1
173.13275	1.5
174.14035	1.4
175.14781	12.1
203.10651	2.0
203.14334	3.7
203.17958	100.0
204.08813	1.2
204.13829	1.2
204.18304	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.17792	1.4
53.03932	2.3
55.05517	14.5
57.07076	3.3
67.05507	20.6
68.05022	1.7
69.07069	19.6
71.08627	1.4
77.03945	1.7
79.05504	11.8
81.07060	29.0
83.08614	5.1
84.04511	3.7
91.05483	23.4
93.07041	18.1
95.08611	40.0
96.04502	3.6
97.02885	5.6
97.10179	2.0
98.21366	7.4
103.05499	1.7
105.07036	81.9
107.08593	26.1
109.09474	2.7
109.10161	35.1
110.06039	1.7
117.07024	4.4
119.08585	61.7
119.66428	1.3
121.10152	15.6
123.11684	5.8
126.05498	3.8
131.08566	5.4
133.10133	72.7
135.11690	4.8
138.05443	1.7
144.06554	1.7
145.10120	6.0
147.11690	61.8
157.10320	1.5
159.11690	7.5
160.12497	1.8
161.09756	1.6
161.13271	28.9
173.13287	1.6
174.14064	2.2
175.14835	11.5
203.07118	1.9
203.10677	3.5
203.14267	5.3
203.17963	100.0
204.13916	3.5
204.18269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.97217	0.8
55.04423	0.9
55.05516	7.8
57.07050	2.6
59.81129	0.9
67.05511	18.3
69.07069	8.4
69.40913	1.6
69.41325	5.3
79.05502	9.9
81.07064	46.0
83.08601	2.1
84.04499	2.2
91.04961	1.4
91.05486	12.9
93.06489	1.4
93.07050	21.9
95.08617	65.6
96.04468	2.1
97.02900	0.9
103.05473	1.0
105.07043	45.6
106.07816	0.9
107.08601	32.7
109.10168	40.5
113.84287	0.8
115.05452	1.9
117.07047	2.2
119.08595	43.2
121.10160	16.5
123.11716	8.1
124.44251	0.8
126.05495	1.0
128.06200	1.4
129.07005	1.4
131.04953	0.9
131.08528	3.2
133.06544	1.1
133.10144	30.7
135.11678	3.9
143.08504	1.2
145.06525	1.2
145.10126	4.1
147.08046	2.0
147.11700	58.5
157.10114	1.0
159.11710	3.2
159.98750	0.8
160.05188	2.4
161.13293	19.5
168.97482	0.8
169.51324	0.9
175.07605	4.3
175.11313	1.0
175.14867	9.8
188.04660	1.1
189.11668	1.1
203.03484	1.6
203.06953	4.9
203.10669	4.2
203.14297	3.0
203.17969	100.0
204.13948	2.1
204.18289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.31233	0.9
53.03938	1.5
54.75610	0.9
55.01867	1.2
55.05512	8.7
57.07076	2.0
60.04518	3.8
67.05515	16.7
68.05013	3.3
69.03440	1.4
69.07075	11.1
71.08620	0.9
71.49615	1.9
77.03921	1.1
79.05495	7.0
81.07063	24.5
83.08620	4.2
84.04501	4.2
85.01134	1.3
85.02919	1.8
91.05496	22.6
92.84473	0.9
93.07060	11.6
95.04985	0.9
95.08615	42.9
96.04523	5.1
97.02914	4.8
97.10159	1.3
103.05466	2.9
105.07041	61.6
107.04943	1.3
107.08599	19.0
109.02876	1.6
109.10167	35.0
114.05537	3.7
115.05458	5.8
117.07008	4.2
119.04981	1.7
119.08594	54.7
121.02866	1.2
121.10158	15.7
123.11726	19.2
126.05541	4.6
128.06255	7.0
129.03238	1.0
129.07007	6.2
131.04892	2.0
131.08588	7.0
132.05714	3.1
133.06541	2.0
133.10141	38.9
135.11671	2.7
138.05487	1.4
142.07819	3.1
143.04922	4.4
143.08556	3.0
145.06493	2.9
145.10139	8.3
147.04405	4.1
147.08087	5.0
147.11705	82.8
148.12088	2.2
155.06082	1.5
156.08081	1.8
157.06459	3.1
157.07602	1.5
157.10124	3.9
159.04410	1.6
159.11693	4.3
160.05232	7.5
160.12494	4.9
161.06006	2.9
161.09615	2.0
161.13283	18.0
162.06689	1.1
171.04427	1.2
171.08012	2.3
174.06786	1.2
174.09151	1.1
174.14059	1.4
175.03944	2.5
175.07581	10.5
175.14848	3.6
185.06015	3.0
185.09589	1.5
185.13089	1.6
188.04637	5.1
203.03430	7.8
203.05057	1.4
203.07011	29.1
203.08812	1.8
203.10674	7.5
203.14323	3.0
203.17978	100.0
204.08687	3.3
204.13867	4.0
204.18297	1.8
221.07968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69200	0.7
62.95904	0.6
69.95905	2.0
69.96331	1.8
71.29832	0.6
73.54095	0.7
82.01439	0.9
82.93293	0.7
82.99852	3.6
98.21569	0.7
100.02464	1.5
101.00888	43.1
102.00956	6.9
103.00643	2.0
111.00381	0.6
111.19925	0.6
113.00865	1.4
116.11313	0.6
118.03590	0.9
119.01927	100.0
120.02004	15.5
121.01675	2.6
131.01935	2.0
137.02965	21.7
138.03056	3.4
138.96410	2.1
139.02467	1.7
142.03526	2.2
142.98633	0.8
143.01918	7.9
143.03598	5.7
144.03220	0.8
145.03506	1.6
156.97505	4.3
157.03481	6.3
161.02966	31.6
161.04449	1.1
162.03082	5.8
172.75703	0.6
173.03011	1.3
174.98564	1.9
175.04576	1.5
179.00752	2.2
179.04018	19.3
179.99203	3.9
180.03949	5.7
181.03514	1.0
185.02985	1.6
191.04016	1.1
198.00208	1.9
199.04446	0.9
203.00677	0.7
203.04047	3.6
218.64641	0.7
221.01729	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92216	6.8
82.47780	1.7
82.99847	3.6
100.02464	2.0
101.00887	48.9
102.01027	1.7
114.95656	7.4
119.01927	100.0
120.02045	2.3
124.02464	3.9
129.45268	1.8
132.96727	2.3
137.02974	17.7
140.00821	2.2
142.03511	37.0
143.01915	2.7
149.48352	1.8
151.51526	4.8
160.04547	10.0
161.02965	30.8
179.04022	38.5
184.04602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14923	0.6
70.09553	2.9
80.71423	0.7
82.01445	10.0
82.01883	0.9
87.40287	0.6
92.59802	0.7
97.51687	0.5
100.02485	12.8
101.00890	2.5
102.94335	1.4
114.05535	0.7
118.03542	2.4
119.01915	2.5
120.95341	6.4
120.96009	0.6
138.96414	32.3
143.97006	1.0
145.96910	0.7
147.96959	1.4
148.95995	2.3
149.02972	1.2
156.97487	73.2
157.97572	0.9
159.47787	2.6
161.02953	0.9
161.98019	11.9
168.39299	0.6
168.48285	4.7
168.98450	1.1
169.49504	1.0
174.98534	24.7
178.50060	1.0
179.99107	100.0
180.99249	1.1
188.52127	0.7
198.00256	36.3
203.00639	1.0
214.96603	0.6
223.22247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03955	1.5
55.01871	1.6
55.05513	4.9
56.96553	2.6
57.03427	1.1
57.07081	6.0
64.33797	0.9
65.03920	1.1
67.05508	8.8
69.07069	7.7
71.08628	1.4
71.48776	1.7
73.02895	1.2
79.05499	14.3
81.06664	1.3
81.07071	15.9
83.08591	2.5
84.04501	1.2
85.02902	1.9
87.24519	0.9
91.04985	1.4
91.05488	16.9
93.07051	23.4
95.04959	2.9
95.08616	19.0
98.97608	1.2
103.05468	1.2
105.07041	31.2
107.07885	1.8
107.08601	32.5
109.06527	1.2
109.10149	4.0
111.08091	1.4
115.05437	3.9
116.06281	1.2
117.07025	21.9
118.96784	1.4
119.08590	46.3
121.06493	1.1
121.10156	17.3
127.03901	1.2
128.06160	2.9
129.07013	7.9
130.07802	9.6
131.07610	2.0
131.08583	35.2
133.10146	10.1
137.05968	1.9
141.07021	5.1
142.07784	2.9
143.08575	10.9
144.09357	8.5
145.06454	2.9
145.10132	100.0
146.10880	3.2
155.08601	2.0
157.06534	1.2
157.10159	8.9
158.07254	2.8
158.10936	6.3
159.11703	79.7
160.12123	1.4
169.06482	2.7
171.11687	6.2
172.12454	1.3
173.06001	3.1
173.09642	1.4
173.13266	18.6
186.06775	2.7
186.14037	5.9
201.05415	5.1
201.09137	10.5
201.16393	87.7
202.16742	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05498	1.6
56.59216	0.6
57.03440	0.6
57.07064	2.7
61.18848	0.7
66.87570	0.6
67.05511	3.5
67.05801	0.6
69.07070	3.7
70.07460	0.7
71.08630	0.8
71.49179	1.1
79.05496	4.4
81.07069	6.5
91.05483	7.0
93.07046	6.3
95.08605	8.0
103.05504	0.7
105.07036	13.0
107.08598	9.9
109.10159	2.4
115.05465	0.8
116.06242	1.0
117.07027	7.4
118.96779	0.8
119.08586	9.0
121.10124	2.9
124.88874	0.7
126.73275	0.6
128.06239	1.4
129.06993	3.8
130.07787	4.5
131.08574	35.4
133.10146	7.7
133.99066	0.7
142.07755	1.3
143.08551	4.7
144.09340	4.9
145.06398	1.1
145.10132	44.0
146.10890	1.6
155.08553	1.0
157.10127	7.5
158.07347	1.2
158.10866	2.3
159.11702	49.7
160.12270	1.2
171.11690	4.2
172.12471	2.8
173.09660	1.4
173.13278	12.3
177.98117	0.8
183.11737	1.1
186.14011	4.7
201.09132	1.8
201.12714	3.3
201.16396	100.0
202.16719	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	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03934	1.3
55.05504	1.8
55.32489	0.6
56.36384	0.6
57.07082	3.8
67.05505	3.5
69.07069	3.9
69.24496	6.2
69.36756	0.6
69.47334	0.6
71.08631	0.7
75.78061	0.6
79.05489	4.4
81.03439	0.7
81.07057	7.3
83.08597	1.2
91.05488	7.8
93.07050	5.8
95.08617	9.6
98.21595	0.8
105.07034	13.1
107.08596	10.7
107.09299	0.9
109.10132	2.5
110.95276	0.6
115.05421	1.7
116.06236	0.9
117.07015	8.6
118.96799	1.2
119.08579	10.6
121.10156	3.4
128.06247	1.5
129.07005	4.4
130.07785	4.4
131.08568	33.5
133.10143	7.2
142.07776	1.4
143.08574	6.4
144.09334	5.6
145.06499	1.3
145.10124	45.1
146.10905	1.4
147.11658	1.4
154.96481	1.0
155.08618	0.9
157.10124	6.9
158.07297	1.5
158.10933	3.4
159.11697	52.9
160.12115	1.2
171.11670	4.4
172.12451	3.9
173.09642	2.0
173.13281	14.4
177.98077	1.3
186.14003	5.1
201.05528	1.1
201.09196	3.2
201.12727	3.3
201.16385	100.0
202.16719	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	201.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01866	10.0
55.05499	11.7
56.49700	4.4
57.03432	10.2
65.03964	5.1
67.05508	61.3
69.03430	10.6
69.07057	8.1
71.04997	23.2
79.05500	41.5
79.25952	4.2
79.55959	4.3
81.03415	10.0
81.07066	23.9
82.54498	4.4
83.04971	8.5
86.06792	4.2
86.49805	3.6
91.05492	84.3
93.07053	100.0
95.04980	53.8
95.08625	25.5
98.97601	5.8
103.05424	5.8
105.04518	6.9
105.07041	17.5
107.04965	6.4
107.08655	20.5
109.06499	13.9
109.10181	20.5
111.04453	20.1
111.08086	22.6
113.06007	13.5
115.05471	6.2
117.07030	12.1
119.04987	4.3
119.08598	39.5
121.06499	8.2
121.10117	8.1
123.04440	28.3
123.08057	11.3
129.11156	4.4
135.08040	11.7
137.05984	9.8
137.09634	44.5
141.05486	64.8
145.10133	6.2
147.08040	11.6
153.09123	12.4
155.07016	18.7
155.08231	4.2
155.10654	14.2
158.07361	5.1
159.11647	9.0
165.09097	20.5
181.31548	4.5
183.10191	44.6
201.05386	6.5
201.09113	10.0
201.12764	6.0
201.16331	6.3
218.23576	5.1
223.03665	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	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03957	0.8
55.05519	2.2
56.09959	0.5
57.07087	1.3
65.03925	1.1
67.05510	4.0
69.03436	1.9
69.07077	2.7
71.48355	0.6
79.05495	4.3
81.07056	6.2
83.08614	0.8
91.05484	11.0
93.07053	7.1
95.04987	0.9
95.08608	4.6
103.05486	0.9
105.06319	0.8
105.07034	14.8
107.08598	6.0
109.06536	1.3
109.10159	1.5
113.04980	0.6
115.05443	3.4
116.06260	2.3
117.07024	8.0
118.96791	1.2
119.08588	20.9
121.06503	2.4
121.10155	2.5
128.06215	5.9
129.07022	10.5
130.07774	5.5
131.08578	39.0
133.10136	37.5
141.06999	5.0
142.07756	3.3
142.45525	0.6
142.61050	0.6
143.08568	30.0
144.05652	1.2
144.09349	9.5
145.06500	5.4
145.10130	46.4
146.07320	1.3
146.10863	0.9
153.07016	1.7
155.04918	0.8
155.06026	0.7
155.08530	3.7
156.09398	2.0
157.06485	2.0
157.10120	6.0
158.07324	6.4
158.10918	38.4
159.08083	11.2
159.11697	22.8
159.13049	1.0
160.08736	0.7
161.09584	1.0
168.09329	2.7
169.06473	1.0
170.07127	0.7
171.08051	10.6
171.11673	3.7
172.08833	12.3
172.12465	1.3
173.06021	1.1
173.09673	14.9
173.13272	100.0
174.13576	1.0
175.31949	0.6
181.10225	0.6
183.11694	3.3
185.09634	2.3
186.06795	2.5
186.10410	38.3
186.13974	1.2
187.10768	0.8
201.05441	2.0
201.09241	7.9
201.12753	72.1
201.16383	20.5
202.13028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1122
Annotation	4-epi-Alyxialactone
Peak:m/z	Relative Intensity
53.03937	8.8
55.01871	5.1
55.05509	9.4
56.41217	2.4
57.03440	5.0
67.05138	3.0
67.05502	62.3
69.03433	9.6
69.07061	6.6
70.77406	2.8
70.77729	4.3
71.04996	13.6
72.96629	2.7
73.02900	3.8
77.03916	3.9
79.05500	44.3
79.25862	2.7
81.03419	8.5
81.07066	18.5
81.51637	2.5
83.04991	10.5
88.16488	2.4
91.04916	4.5
91.05487	92.1
93.07047	100.0
95.04971	52.8
95.08611	18.0
97.06497	4.1
98.97578	8.0
99.04436	3.1
102.27239	2.6
105.04529	4.9
105.07025	16.7
107.04949	3.5
107.08605	21.3
109.06537	7.3
109.10143	15.8
111.04435	19.5
111.08092	12.6
113.06001	6.1
115.05450	3.1
117.07014	12.1
119.04943	7.1
119.08581	41.6
121.06492	10.1
121.10143	7.9
123.04424	21.3
123.08050	6.9
135.08089	12.4
137.05972	10.5
137.09619	23.8
139.07559	2.6
141.05460	71.6
145.10019	3.0
147.08070	13.0
153.09099	6.1
155.10710	5.1
158.99651	3.3
159.06537	3.0
165.09120	19.5
183.10207	20.7
201.09053	3.7
201.11115	3.2
201.16475	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	199.0966
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
53.03941	3.4
55.01878	4.4
55.05505	2.8
67.05516	6.9
69.03427	1.5
69.07057	1.4
70.77038	1.3
74.09700	3.0
77.03916	1.3
79.05499	25.1
81.03409	1.2
81.07065	7.0
83.01303	0.8
83.04976	1.1
91.05492	18.1
93.07055	38.7
95.04990	9.0
95.08601	2.3
97.02921	0.8
97.06533	3.3
100.07618	0.9
103.05473	3.2
105.03344	1.3
105.04534	2.1
105.07047	0.9
107.04976	5.3
109.06503	3.7
111.04433	2.7
111.08085	4.2
116.97167	0.9
121.06519	43.8
123.04427	2.5
123.08076	15.5
125.05975	1.2
127.03867	2.4
135.08105	1.3
139.03911	6.1
139.07549	32.2
143.08502	1.5
149.05988	20.1
157.10106	1.0
167.07057	100.0
168.07373	1.0
181.08595	3.6
185.08125	1.4
199.14777	1.5
199.18939	9.7
200.07074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36644	0.5
50.61064	0.4
55.01873	1.5
55.05504	0.7
56.96565	1.8
57.03438	2.2
58.99862	0.8
61.02930	0.9
66.27039	0.6
69.03422	1.8
70.63728	1.6
70.99862	1.2
73.02915	2.3
79.05480	0.5
81.03440	1.0
82.99833	9.0
85.01420	1.3
85.02907	2.4
93.66618	0.5
95.04982	1.0
97.01389	0.7
97.02902	1.6
98.97579	3.1
101.00882	61.8
101.27385	0.5
102.00972	2.0
103.00655	1.3
103.02435	1.5
110.97575	1.2
113.00867	15.1
113.02349	0.7
115.00622	0.6
115.02442	2.4
116.98640	1.1
118.96737	0.5
119.01923	100.0
120.02007	2.8
121.01585	0.6
126.98762	0.6
127.02435	2.5
127.03907	0.6
128.98627	0.8
131.01910	47.5
132.02036	2.3
133.03479	9.4
137.02962	16.1
138.03064	0.5
142.03485	2.3
143.01897	1.4
144.99948	0.6
145.03459	7.3
147.01407	1.0
149.02957	8.9
151.04538	1.9
155.01862	5.4
155.03741	0.7
158.97182	3.0
158.99658	1.0
159.01381	0.8
161.02959	2.4
163.04510	0.9
168.99831	1.1
169.03540	0.9
173.02965	22.6
175.04562	1.0
176.98296	1.1
177.02451	2.5
179.04063	0.6
182.99792	0.6
183.01273	2.7
183.04976	0.7
187.00917	1.5
191.04007	11.7
201.02449	65.7
201.06142	2.6
202.02591	1.7
219.03503	50.2
220.03705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53921	0.3
60.42105	0.3
67.05521	0.4
68.63068	0.3
70.49494	0.7
70.49892	0.8
71.81118	0.3
72.98822	0.3
82.99871	0.5
98.20865	0.4
101.00875	1.8
119.01941	2.2
120.95374	2.0
138.96416	24.8
139.96487	0.4
148.96002	0.6
156.97484	100.0
157.97562	2.3
158.72124	0.4
158.97865	0.4
174.98544	53.3
175.98624	1.2
176.98988	0.4
179.99088	0.9
180.97473	1.3
187.00656	1.0
196.01057	1.0
198.18588	1.0
198.98547	18.9
199.18814	0.7
216.99602	26.6
217.99728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0967
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
53.03940	6.9
55.01867	6.7
55.05501	5.1
67.05499	7.3
69.03423	2.0
69.07066	3.7
69.71326	7.3
69.71737	3.2
74.09737	11.9
79.05072	2.7
79.05500	31.6
81.03419	3.1
81.07043	8.1
83.04965	2.9
91.05486	22.4
93.07051	43.9
95.04980	12.0
95.08611	3.1
97.02909	2.0
97.06564	3.4
103.05457	5.1
105.04517	2.3
107.04971	9.7
107.08527	2.2
109.06517	2.3
111.04453	4.6
111.08074	5.1
121.06522	44.6
123.04426	4.6
123.08096	14.2
125.02402	1.6
125.06005	4.9
127.03932	2.9
129.06973	1.9
135.08051	3.4
139.03918	19.0
139.07542	31.5
140.04643	2.1
142.07773	2.2
149.05995	16.5
153.05470	2.9
157.10153	4.5
167.03395	5.3
167.07059	100.0
171.11710	1.8
180.78958	1.6
181.08687	8.4
183.39886	1.5
199.14906	4.4
199.18921	34.0
200.07138	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	198.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01875	22.9
55.05503	11.7
56.96549	5.2
57.03439	66.7
58.99873	10.3
59.04996	5.1
60.08155	5.6
61.02651	3.7
61.02930	38.4
65.03934	19.3
67.05182	4.3
67.05508	53.3
68.98289	3.2
69.03087	5.3
69.03432	64.9
69.57315	7.3
69.57720	13.7
70.06598	23.3
70.99841	11.0
71.04996	9.1
71.99966	2.8
73.02922	100.0
74.03253	3.2
75.04478	3.1
77.00897	3.5
79.02168	9.2
81.01917	5.1
81.03415	21.6
82.01428	4.5
82.02669	3.7
82.99825	21.3
83.04985	40.7
85.01406	5.1
85.02904	76.7
85.06555	6.8
86.03688	9.3
86.99332	3.4
87.01894	7.3
87.04458	8.2
88.02701	15.8
89.00906	6.7
89.02520	2.8
90.02422	3.7
93.01876	17.4
93.03384	22.7
94.02683	9.4
94.99827	5.9
95.04967	31.6
95.06096	13.5
96.02438	5.1
97.01378	6.8
97.02890	55.9
98.97578	6.4
99.04448	11.0
100.00125	5.5
100.02594	14.3
101.00890	90.8
101.02389	4.7
101.03452	3.7
102.00977	15.9
102.02415	32.0
103.00636	7.2
103.02433	9.6
106.02650	6.5
107.03447	10.5
107.04921	3.1
108.02405	12.2
109.02914	11.7
111.02948	40.3
111.04442	22.9
112.02631	4.5
113.00874	33.0
113.02378	8.5
113.03469	7.5
113.06046	6.1
114.00983	4.8
114.02443	8.2
114.52471	3.2
115.00636	5.9
115.02428	16.8
115.03182	8.8
115.03886	6.0
116.04092	2.5
117.02921	11.9
117.03915	3.2
119.01057	4.7
119.01920	94.6
119.02728	6.5
120.01979	25.5
120.03425	48.0
120.04221	6.3
120.53511	6.5
121.01643	9.0
121.02840	41.5
121.53194	3.3
122.02151	4.5
122.03207	3.4
123.02941	9.6
124.03677	2.9
125.00905	3.5
126.02470	5.8
126.03443	8.5
127.02410	13.4
127.03196	6.6
127.03958	15.2
128.03998	4.5
129.00307	2.9
129.02084	5.0
129.02933	22.6
129.03976	26.1
129.54021	4.3
130.03690	11.1
131.01913	63.0
131.03616	3.6
131.53578	3.5
132.02187	9.6
132.03464	12.6
133.01643	16.3
133.03450	13.2
134.03885	3.4
135.02936	12.7
136.03700	12.4
136.53926	3.7
137.02945	5.0
137.04485	4.8
138.03445	18.4
138.96402	10.3
139.02417	8.4
139.03978	9.7
141.02888	9.3
141.03952	7.9
142.03676	5.3
143.01901	71.7
144.01956	5.0
144.03407	9.9
145.01668	5.0
145.03404	37.2
146.03699	4.7
147.01385	12.5
147.03964	8.5
147.05013	4.7
148.03694	5.3
149.03014	7.1
149.04477	5.1
150.03444	17.8
150.04453	3.5
151.04274	4.2
152.07034	4.7
153.03998	18.9
154.03511	3.5
154.13278	3.2
155.01888	56.9
156.02020	7.2
156.03351	4.5
156.97482	41.0
157.01663	13.2
157.03381	40.9
158.03580	6.1
159.03995	10.2
159.05159	3.6
161.02968	62.2
161.45592	3.3
162.03186	8.6
162.04538	3.6
163.04570	3.6
166.04733	15.8
167.01868	14.6
167.05670	4.0
169.03473	17.9
170.03069	9.6
171.01511	4.6
171.03856	8.2
171.05080	17.0
172.05141	5.6
173.02972	68.8
174.03105	11.9
174.04524	5.1
174.98575	25.6
175.02748	29.7
175.04561	11.8
180.04507	12.7
180.54472	2.7
180.97420	3.1
183.05037	11.0
185.02936	55.1
186.03093	4.7
187.04568	18.0
189.04958	6.6
191.03966	8.7
193.03653	7.5
195.05069	8.0
197.02988	12.5
198.02927	5.5
198.06046	4.4
198.11295	10.4
198.13971	6.7
198.18521	30.5
198.98482	17.7
199.04547	6.7
199.06294	3.3
201.00603	3.6
203.03987	32.9
209.02940	4.5
211.04543	11.5
212.21492	3.0
213.06088	3.3
215.04033	14.1
216.04131	4.8
216.07289	4.9
216.99617	12.5
217.05539	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	197.1538
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03942	3.2
55.01873	4.0
55.05517	31.5
57.03436	5.1
57.07065	4.3
65.03942	2.9
67.05509	37.9
69.03437	1.8
69.07071	22.1
69.63568	8.8
70.95851	2.4
71.04997	15.5
75.26037	1.3
79.05497	23.0
81.07061	86.2
83.04974	7.3
83.08619	22.8
85.02911	3.1
85.06549	17.2
87.04476	1.5
91.04918	1.7
91.05482	28.3
93.07056	26.5
93.16936	1.4
95.04977	5.5
95.08613	100.0
97.06541	31.1
97.10170	8.9
99.08100	7.8
105.07043	33.3
107.04979	1.9
107.08598	15.2
109.06527	8.6
109.10164	6.6
111.08096	6.7
113.09682	1.9
115.07572	1.8
117.07009	2.3
119.08595	37.4
121.10153	9.9
123.08056	8.3
125.39981	1.3
127.03934	9.2
128.68851	1.3
132.95844	8.0
133.02817	1.4
133.10141	27.7
135.11697	23.4
137.05977	6.6
137.09647	3.3
137.13271	24.0
141.09097	1.5
143.00999	1.6
150.96887	4.7
151.03897	2.5
151.07532	2.1
155.97478	3.9
161.09634	2.6
161.13264	60.4
162.13451	1.6
169.10228	1.5
173.98514	5.0
179.07086	2.6
179.10664	3.4
179.14305	28.3
197.05974	1.8
197.08066	3.3
197.11710	2.8
197.13408	3.2
197.15376	10.1
198.18555	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	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03955	3.3
53.49776	1.5
55.01865	5.7
55.05510	27.8
57.03432	5.9
57.07065	4.6
59.05000	2.0
65.03958	1.7
66.01747	1.4
67.05508	43.4
67.69527	1.5
69.03421	4.7
69.07066	28.1
70.95877	11.4
71.01347	10.1
71.04995	19.1
71.49707	2.7
72.93786	5.3
73.02906	1.7
77.03920	1.8
79.05492	26.2
79.48557	1.5
81.07056	84.2
83.04996	8.9
83.08621	22.9
85.02947	1.9
85.06546	19.0
85.10188	2.2
87.04467	2.0
91.05482	32.5
93.07043	31.4
93.07638	2.3
94.07317	1.4
95.04964	7.8
95.08607	100.0
96.08971	1.8
97.02879	2.4
97.05933	2.4
97.06536	41.1
97.10155	4.8
98.12421	1.5
99.04428	3.6
99.08102	5.0
105.07038	32.0
107.04979	3.2
107.08591	28.4
109.06528	16.3
109.10172	11.6
111.04419	1.9
111.08091	15.6
111.98466	8.6
113.09652	2.5
119.07744	1.3
119.08580	39.4
121.06489	2.2
121.10145	8.0
123.04419	3.4
123.08070	7.0
123.11679	2.3
125.05963	1.6
125.09635	2.3
127.03905	19.0
127.07558	2.8
129.99583	2.4
132.95830	21.9
133.02847	3.0
133.06439	3.8
133.10133	39.2
135.08054	2.0
135.11696	27.9
137.05994	12.6
137.09628	3.1
137.13248	13.0
140.12381	1.4
141.07007	2.5
141.09084	2.0
150.96916	13.6
151.03900	4.0
151.07565	3.0
151.11177	2.6
153.05457	2.0
153.06990	1.8
155.08551	2.6
155.10678	6.6
155.97459	12.7
161.09627	6.5
161.13261	51.7
161.14633	2.5
165.05536	3.6
169.06453	2.3
169.60590	1.6
173.98514	14.3
177.22032	1.8
179.07086	4.2
179.10727	17.7
179.14328	21.4
197.06018	4.2
197.08018	4.4
197.10027	2.4
197.11755	16.1
197.13324	2.6
197.15260	12.2
198.18538	33.9
205.22412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1539
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03932	1.7
55.01872	3.3
55.05516	28.0
57.03426	3.3
57.07073	2.7
59.05001	1.4
65.03925	1.7
67.05507	34.4
69.03420	2.3
69.06738	1.6
69.07075	24.1
69.99964	6.6
70.95834	1.9
71.04999	15.1
72.93797	1.3
75.91199	1.1
77.83568	1.2
79.05499	20.3
81.07063	78.2
81.24950	1.1
83.04969	5.3
83.08624	19.0
84.59187	1.2
85.06551	16.4
91.05490	21.2
93.07053	22.9
93.41415	1.2
95.04958	4.3
95.08614	100.0
97.06544	32.6
97.10155	6.8
99.08077	4.4
102.06120	1.1
105.06405	2.2
105.07037	24.6
107.08598	11.7
109.06534	4.8
109.10172	8.2
111.08102	7.5
111.98479	2.4
113.09618	1.5
117.07028	1.7
119.08596	31.9
119.09463	1.5
121.10161	9.9
123.08064	7.4
125.09658	2.6
127.03909	3.9
127.07520	1.9
132.38237	1.5
132.95821	3.0
133.10146	24.5
135.11699	22.4
137.09576	3.0
137.13254	20.4
150.38135	1.3
150.96912	1.7
153.06966	1.4
155.97414	2.2
161.13275	59.2
179.10783	1.7
179.14314	31.4
197.11725	1.6
197.13484	2.0
197.15404	12.0
198.18520	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03937	4.1
53.26109	1.1
55.01862	4.1
55.05518	7.3
55.64371	1.1
57.03419	1.4
57.07068	1.8
59.04986	2.3
63.24377	1.0
65.03933	2.4
67.05504	10.4
68.99780	1.7
69.03419	4.3
69.07062	3.1
69.70058	4.5
70.95866	7.9
71.04993	7.2
72.93785	4.9
73.02888	1.5
73.21488	1.2
79.05491	16.3
81.03424	2.6
81.07059	17.5
83.04980	5.0
85.02902	5.3
88.96889	1.2
91.05482	24.0
93.06493	1.6
93.07050	26.6
94.55285	1.1
95.04380	1.8
95.04973	25.5
95.08606	9.5
97.02898	14.4
97.06514	3.1
99.04496	5.9
101.90687	1.1
103.05450	1.9
105.03368	1.5
105.06317	2.3
105.07037	38.6
107.04951	3.6
107.08597	65.3
109.02879	4.6
109.06516	15.3
109.10159	7.5
111.04433	3.7
111.08082	24.3
111.98487	8.6
115.05459	1.3
118.07782	1.4
119.04939	2.7
119.06053	1.9
119.08566	9.7
121.06500	8.5
121.10170	1.7
123.04446	7.5
123.08032	6.2
123.11687	3.6
125.05973	8.2
125.09772	1.3
127.03920	100.0
129.99527	1.5
131.04996	1.1
131.08565	3.4
132.95848	14.9
133.02870	2.1
133.06532	6.0
133.10135	66.7
135.08096	1.8
135.11694	51.3
135.12732	2.6
137.05994	11.5
137.09607	4.8
139.07614	1.3
141.05492	1.0
141.06967	1.3
143.08551	2.4
146.07314	2.4
150.96902	12.6
151.03911	12.1
151.07559	7.3
151.11151	7.4
153.05443	2.3
153.09012	1.5
155.97430	10.4
161.06038	2.4
161.09624	36.4
165.05560	1.6
173.98483	10.4
175.13643	1.1
179.07141	12.6
179.10675	99.8
180.11038	1.1
197.06241	2.0
197.08096	11.8
197.11739	60.2
198.18530	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	197.1176
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03965	12.2
55.01865	8.2
55.05516	15.5
57.03444	4.1
57.07082	16.3
57.07331	3.2
61.17586	1.7
65.03941	2.9
66.04745	2.0
67.05509	24.3
69.03431	4.3
69.07065	10.3
70.95880	16.4
71.01361	100.0
71.04994	14.1
72.93788	9.0
73.02960	2.5
74.55102	1.7
79.05495	25.4
81.03414	14.0
81.07066	37.3
83.04974	6.5
83.08627	11.5
85.02901	4.1
85.06550	8.9
85.10190	11.5
88.96904	2.1
91.05492	25.4
93.07052	22.8
94.04182	3.7
95.04980	24.3
95.08617	25.1
97.02907	9.9
97.06553	13.3
99.04453	5.1
99.08097	2.5
105.07045	33.0
107.04979	8.5
107.08603	38.0
108.05788	2.3
109.02911	2.6
109.06525	32.0
109.10159	32.0
111.04441	4.1
111.08095	32.9
111.98477	16.0
113.05972	2.4
113.96423	1.8
116.61789	1.8
119.04921	4.9
119.08579	9.5
121.06515	5.4
121.10148	4.2
123.04433	9.0
123.08102	9.2
123.11704	4.4
125.06023	9.4
125.09639	11.7
127.03931	67.6
127.11218	2.5
128.06210	2.2
129.99522	3.5
132.95840	34.3
133.02861	6.5
133.06479	6.9
133.10152	35.0
135.08095	3.8
135.11720	24.0
137.05984	29.8
137.09602	4.7
139.07544	4.3
139.11195	2.1
141.05463	16.3
141.06966	5.5
143.08528	2.4
147.04385	2.2
150.96907	33.9
151.03943	10.4
151.07587	10.3
151.11171	13.7
152.06146	2.5
153.05467	4.1
153.07062	2.1
154.06282	3.0
154.07774	3.3
155.07214	1.8
155.08640	3.8
155.10692	65.3
155.97441	24.0
161.09656	13.0
161.13246	5.3
165.05498	7.9
165.09177	1.8
167.06999	3.2
167.08527	4.0
169.05043	2.1
169.06451	2.7
169.10127	5.6
173.98495	19.6
179.03308	2.6
179.07233	11.3
179.08595	5.6
179.10684	53.6
179.14267	2.5
182.07288	3.8
197.06018	9.9
197.08072	12.3
197.09717	9.8
197.11746	85.3
197.13310	7.1
198.18524	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03956	1.7
55.01880	1.4
55.05510	4.3
59.05004	2.8
59.37444	0.7
61.36836	0.7
65.03932	1.2
67.05508	5.9
69.03433	1.0
69.07067	2.0
71.01002	1.3
71.01333	1.0
71.04996	0.8
77.03914	0.8
79.05505	6.6
79.25942	0.7
81.03401	0.7
81.07069	7.5
83.08620	1.0
90.80422	0.8
91.05491	19.8
93.07054	25.8
95.04994	8.1
95.08619	4.5
95.10872	0.8
97.02936	0.7
97.41062	0.8
103.05454	0.8
105.04590	1.0
105.07040	31.7
107.08606	68.3
109.06514	5.5
109.10152	7.7
111.08079	1.4
113.06063	0.7
115.05458	1.3
117.06989	1.5
119.04971	3.3
119.06065	1.8
119.08605	9.2
120.09347	0.9
121.06495	6.8
121.10130	1.7
123.04434	3.3
123.08047	1.1
123.11745	4.5
127.03891	2.2
128.06227	1.1
131.08572	3.5
133.06468	1.2
133.10146	72.3
135.08119	1.3
135.11707	57.1
137.05975	4.5
137.09637	4.1
143.08572	0.9
146.07259	2.4
150.96922	0.9
151.04013	0.8
151.07596	1.0
151.11205	6.7
151.99052	0.8
161.09634	32.5
161.10971	1.8
179.10689	100.0
180.11053	1.3
197.11754	78.2
198.12096	1.3
198.18549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
50.10247	0.3
53.03950	2.3
55.01881	1.7
55.05517	2.4
57.03441	0.5
65.03960	0.5
67.05508	4.6
69.03426	1.9
70.61885	1.2
71.04996	6.7
77.03923	0.4
79.05496	6.0
81.03410	1.7
81.07061	7.9
83.04991	1.9
83.08624	0.4
85.02903	4.6
91.05489	2.7
93.07053	2.7
95.04974	11.4
95.08607	6.8
97.02898	11.8
97.06532	0.8
99.04461	6.0
99.05109	0.5
103.05437	0.8
105.04519	0.4
105.07034	6.8
107.04964	2.4
107.08588	0.9
108.05750	0.5
109.02872	3.0
109.06529	6.2
109.29382	0.3
111.04502	1.7
111.08088	22.9
121.06509	1.1
123.04436	3.0
123.08057	3.7
123.27703	0.3
125.06007	2.0
127.03922	100.0
127.41128	0.4
128.04245	1.0
132.95876	0.4
133.06506	4.5
133.10143	0.5
137.05966	0.7
150.96893	0.6
151.03918	5.4
151.07555	7.0
153.05492	2.3
161.05980	1.8
169.04976	0.9
169.08595	1.3
179.07042	10.5
179.10619	0.4
197.06279	0.7
197.08098	11.5
197.22908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Phenol A
Peak:m/z	Relative Intensity
50.97868	1.0
51.17852	1.2
52.34869	1.0
53.03938	5.0
55.01879	2.6
55.05510	6.9
57.07059	1.4
59.04982	3.2
65.03936	3.0
65.91881	1.0
67.05509	9.8
68.99789	2.2
69.03412	3.3
69.07059	2.4
69.70810	7.5
70.95857	5.8
71.05008	5.6
72.93782	2.5
73.02893	1.9
79.05499	13.5
81.07055	16.0
83.04973	5.0
85.02892	3.6
85.06546	1.7
91.05484	24.5
93.07044	26.2
95.04969	23.1
95.08611	10.9
97.02893	10.4
97.06516	2.1
99.04446	5.5
103.05451	1.4
105.06311	1.8
105.07027	36.8
107.04967	3.0
107.08599	64.9
107.76176	1.1
107.86263	1.2
109.06522	15.0
109.10162	7.6
111.04447	2.0
111.08081	20.8
111.98460	7.6
113.96373	1.2
119.04950	3.9
119.06030	1.2
119.08626	8.9
121.06507	6.4
121.10165	1.5
123.04409	8.7
123.08067	5.1
123.11713	3.1
125.05995	9.0
127.03921	81.9
128.04320	1.2
129.99493	2.6
131.08540	2.9
132.95837	16.5
133.02849	2.3
133.06543	6.6
133.10132	70.6
134.10522	1.3
135.08104	2.3
135.11694	56.6
137.05972	13.4
137.09608	6.4
143.08546	2.1
150.96904	8.8
151.03931	9.8
151.07562	8.1
151.11168	7.3
153.05450	2.8
153.09032	2.2
155.97433	10.1
161.09622	37.9
165.05583	2.4
167.07217	1.4
173.98524	9.0
179.03392	1.9
179.07164	10.0
179.10674	100.0
180.11008	1.5
197.06345	2.0
197.08127	9.5
197.11736	65.0
198.11998	1.7
198.18518	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	197.081
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03949	2.4
55.01873	1.2
55.05516	3.3
57.03433	0.5
65.03922	0.6
67.05508	5.1
69.03416	1.7
69.30267	3.9
71.04999	5.5
79.05493	7.5
81.03413	1.7
81.07062	7.5
81.47016	0.5
83.04971	1.9
85.02914	4.3
91.05494	3.2
93.07059	3.3
95.04973	12.6
95.08617	6.7
97.02895	12.5
97.06527	0.8
99.04462	5.8
100.83022	0.6
103.05449	0.8
105.04535	0.6
105.07037	8.1
106.09731	0.5
107.04975	2.0
107.08615	1.5
108.05744	0.5
109.02878	3.3
109.06517	6.1
111.04456	1.7
111.08086	23.2
121.06529	1.4
123.04478	3.3
123.08073	5.0
125.06019	2.0
127.03923	100.0
128.04242	0.7
133.06516	5.2
135.04413	0.8
135.71321	0.5
137.05986	1.1
151.03906	5.6
151.07542	6.3
153.05505	2.3
161.05968	2.3
166.17148	0.5
169.04909	0.5
169.08630	0.9
176.39557	0.5
179.07045	8.5
197.08119	8.4
205.99484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
53.00303	2.0
53.03945	6.5
55.01881	9.2
55.05523	8.3
56.96557	2.1
57.03425	4.7
65.03940	2.8
67.05517	18.9
69.03439	3.6
70.95862	9.4
71.00108	4.7
71.01347	7.9
72.93791	7.1
77.03934	3.8
79.05501	79.1
80.63847	1.7
81.03407	8.4
81.06599	4.0
81.07066	79.1
83.01356	8.6
83.04988	4.6
85.02908	6.0
91.05486	38.5
93.06495	2.4
93.07059	32.6
95.04979	34.5
95.08615	28.5
97.02907	3.7
103.05470	19.7
105.04572	2.4
105.07040	100.0
107.04970	12.4
107.08606	9.1
108.05701	2.1
109.02879	5.2
109.06532	26.9
111.04432	6.0
111.08086	5.6
111.98505	9.8
114.94775	2.7
115.05452	8.6
117.07021	4.6
119.04977	2.7
121.06523	28.5
122.05052	1.8
123.04453	6.3
123.08083	25.8
125.02354	3.8
125.05997	4.1
125.27496	1.9
127.03900	6.1
127.07563	3.7
129.99521	5.0
131.04922	5.1
132.95857	26.7
133.06506	82.8
135.04408	4.9
135.08003	5.2
137.02364	2.4
137.06003	9.0
149.06006	39.6
150.96918	16.9
151.03911	11.3
151.07567	27.8
155.97414	11.8
159.04471	3.1
161.06004	76.7
163.03877	2.2
169.08603	8.1
173.98528	11.9
177.05559	10.0
179.05484	3.9
179.07063	62.6
179.10573	2.5
191.07436	1.8
195.06526	25.8
197.06265	2.4
197.08104	48.3
197.11792	2.1
198.18565	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03949	4.4
55.01862	4.1
55.05517	6.5
57.03435	1.7
65.03946	1.8
67.05516	8.2
67.05847	1.5
69.03437	3.2
69.78350	2.1
69.78742	2.4
71.01343	1.0
71.05003	5.7
73.02915	7.4
79.05501	26.3
81.03422	3.0
81.07068	18.3
83.04977	3.9
85.02907	4.9
91.05494	10.0
93.07037	7.3
93.53631	0.9
95.04984	27.3
95.08610	9.9
97.02910	11.6
97.06507	1.1
99.04458	4.6
103.05479	1.6
105.04537	0.8
105.07037	19.2
107.04937	6.4
107.08610	1.5
108.05752	1.0
109.02876	4.1
109.05805	2.0
109.06525	22.8
111.04428	2.9
111.08095	55.7
115.05437	1.6
117.06993	1.5
119.04931	1.0
121.06485	1.8
123.04420	5.9
123.08083	7.0
125.02346	1.2
125.06005	7.2
127.03928	100.0
132.95831	1.3
133.06490	13.2
135.04427	2.3
137.05988	8.1
151.03925	38.0
151.05013	2.7
151.07558	13.2
153.05524	5.2
155.07060	2.2
159.93155	0.9
161.06001	4.6
169.08609	1.4
179.07043	36.1
197.08118	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.91930	1.0
53.03955	5.8
55.01874	6.8
55.05516	5.6
57.02417	1.2
57.03420	1.5
63.77732	1.1
67.05504	11.7
67.56377	1.0
69.03433	2.3
70.79738	2.7
70.95865	5.4
71.01351	1.1
71.04981	9.2
72.93770	3.9
73.02927	8.3
77.03885	1.3
79.05493	31.1
81.03415	5.2
81.07056	23.3
83.04984	3.7
83.08586	1.2
85.02891	5.6
91.05496	11.0
93.07039	7.1
95.01286	1.7
95.04376	2.2
95.04974	30.3
95.08613	12.8
97.02892	15.6
99.04469	5.0
103.05476	2.7
105.03373	1.4
105.06322	1.2
105.07032	21.2
107.04957	7.5
107.08598	3.8
108.05790	1.5
109.02882	4.7
109.05802	2.1
109.06521	29.8
111.04443	4.4
111.08082	61.2
111.98471	6.0
115.05459	1.5
117.07001	2.3
119.04938	1.7
121.06513	3.6
123.04433	8.8
123.08070	10.1
125.05988	9.6
127.03918	100.0
129.99504	2.6
132.95840	13.0
133.02902	1.4
133.06476	13.3
133.10123	1.6
135.04457	2.0
137.05980	11.7
139.55943	1.1
149.06033	2.0
150.96902	8.5
151.03912	52.5
151.05020	3.5
151.06416	2.0
151.07512	16.8
153.05443	7.8
155.07033	3.7
155.97423	6.2
161.06003	5.0
165.05460	1.6
169.04950	1.1
169.08620	1.3
173.98508	6.2
179.07045	43.8
197.08087	19.1
198.18651	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	196.1333
Annotation	Magnosprengerine
Peak:m/z	Relative Intensity
51.45537	0.4
70.14767	1.5
89.53075	0.5
94.06552	0.6
110.06001	0.5
120.08104	61.1
121.08353	0.5
122.05952	0.6
122.09654	0.9
131.96158	0.7
132.95891	0.4
133.08842	0.4
134.36420	0.4
135.10497	0.5
138.09094	1.0
146.09700	0.8
149.08395	0.8
152.10724	3.7
164.10716	55.9
165.11508	3.0
166.08652	5.7
166.12270	0.6
167.34378	0.4
196.13329	100.0
197.13660	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	21.7
54.04285	13.4
55.01880	24.1
55.05489	3.2
56.02194	12.2
59.37278	2.5
65.03937	3.1
66.04264	4.5
67.05510	19.5
68.05832	11.8
69.03415	5.0
70.03764	5.8
71.01333	9.1
71.48148	2.5
72.01677	6.4
72.59071	2.4
73.02911	10.7
78.04265	6.5
79.05075	4.9
79.05497	61.2
80.05826	85.7
81.03423	24.8
81.07061	25.2
82.03752	21.3
82.07398	27.2
83.04996	5.0
84.05305	7.8
91.05485	12.4
92.05811	20.5
93.07034	9.9
94.07394	14.4
95.01369	13.1
95.04969	73.4
96.01670	16.1
96.04717	5.5
96.05304	88.1
97.02897	9.8
97.79433	2.6
98.03217	5.6
98.06850	4.6
99.81662	2.5
103.05466	9.7
104.05805	35.2
105.03378	4.0
106.03720	8.1
106.04866	6.6
106.06543	9.9
106.07321	5.9
107.04950	47.5
108.04564	6.1
108.05294	100.0
109.02881	66.4
109.06538	3.2
110.03220	93.1
110.06837	11.9
119.04982	3.2
121.06494	8.8
122.06833	35.4
123.04409	12.2
124.03938	3.9
124.04760	29.5
125.02361	14.7
125.05994	5.9
126.02706	15.1
126.06308	7.8
127.03915	12.0
128.04207	14.0
131.96158	12.0
132.05309	15.3
132.08080	7.9
132.95848	8.0
134.03207	6.4
135.04422	2.6
136.04774	18.1
137.05901	3.0
149.05910	7.6
149.97220	8.1
150.05409	3.4
150.06349	34.8
150.09113	7.0
150.96916	4.1
151.03905	43.0
151.05014	2.5
152.04243	78.3
153.05481	17.6
154.05814	65.9
155.97429	4.4
160.04764	18.3
168.03706	7.0
178.05830	39.4
179.07057	5.5
196.06993	18.9
196.09659	6.4
196.16957	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.44415	1.9
53.03946	5.2
55.01866	5.7
55.05515	9.8
55.94667	1.9
57.02281	2.0
57.03450	2.6
57.07087	13.8
67.05505	14.8
69.03458	4.7
69.07074	21.9
69.84232	8.9
71.01380	2.8
71.05017	2.7
73.02916	1.9
77.03901	2.9
79.05507	20.7
81.03393	2.0
81.07069	42.2
83.04977	3.5
83.08627	9.9
85.06514	3.0
91.05475	10.7
93.07060	27.3
95.04993	31.6
95.08616	60.6
97.02911	2.7
97.06529	3.5
97.10163	4.5
99.08112	13.4
103.05482	8.3
105.03376	2.9
105.07030	10.9
107.04968	39.4
107.08603	31.9
109.02882	21.2
109.06516	4.0
109.10165	12.7
111.08083	5.4
111.11790	2.7
115.26841	1.9
117.03351	2.1
119.08642	2.7
121.06504	6.3
121.10161	48.4
123.04440	7.6
123.11722	9.4
125.02441	2.6
125.06028	3.6
125.09637	11.0
131.04948	3.0
135.04427	4.9
135.08057	6.1
135.11676	15.5
136.90768	2.2
137.13272	100.0
139.11206	3.3
145.02856	6.1
149.05983	9.5
149.09677	2.5
149.13275	6.5
151.03940	14.5
153.05470	4.7
159.04466	3.2
163.03970	5.3
163.07617	4.9
167.03442	3.6
167.07066	5.8
167.08459	3.2
177.05443	13.2
177.12778	2.6
177.16409	49.2
178.32083	1.9
195.02939	6.2
195.06561	6.4
195.08163	2.9
195.10191	6.8
195.17459	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.00294	1.9
53.03950	11.6
55.01875	10.7
55.05512	20.3
56.51389	1.4
56.94023	1.5
57.03442	12.5
57.07081	2.3
57.52792	1.8
64.66919	1.6
65.03940	4.6
67.05508	68.6
68.50111	1.9
69.03425	5.8
69.07072	17.2
69.90740	6.4
71.01346	4.1
71.04986	8.0
78.04676	1.6
79.05496	70.0
81.03426	44.4
81.07059	100.0
83.04977	29.6
83.08644	9.0
85.02884	1.7
85.06531	7.1
89.03920	3.7
89.06042	2.1
91.05486	47.9
93.03434	2.1
93.07047	73.5
95.04967	17.4
95.08605	41.0
97.06527	17.8
99.08082	3.4
103.05463	16.9
105.03358	2.7
105.04479	3.7
105.07030	31.3
107.04961	91.5
107.08598	28.2
108.57356	1.6
109.02865	9.5
109.06532	10.7
109.10156	6.6
111.04469	2.1
111.08076	6.7
115.05460	6.8
117.03365	5.2
117.07016	18.1
119.04851	1.9
119.08575	5.7
119.74086	1.8
120.05721	3.5
121.06503	19.4
121.10130	14.7
123.04415	4.7
123.08073	19.5
124.05286	2.1
125.05978	2.6
125.09602	2.1
130.96242	1.6
131.04942	3.0
131.08578	20.7
133.02835	4.7
133.10139	26.0
135.04419	8.2
135.08058	24.2
135.11697	38.8
137.05962	2.0
137.09627	2.8
139.03926	9.4
139.07524	2.8
144.09332	1.7
145.02840	5.2
145.07619	2.5
147.04460	1.9
147.11644	1.6
149.02312	2.4
149.05960	7.4
149.09656	1.8
149.13260	23.7
151.03891	3.1
151.11229	4.1
152.04652	2.1
153.05406	3.7
153.09143	2.8
154.06300	14.7
159.11711	16.9
163.03912	10.2
163.07568	23.4
165.05438	1.9
167.03444	2.2
167.07062	22.6
167.08456	2.8
177.05470	12.4
177.12785	17.0
180.07826	6.0
180.09315	3.4
195.02917	19.1
195.06569	8.2
195.08324	3.7
195.10172	23.6
195.11763	4.0
195.13794	29.1
195.15567	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	7.3
55.01874	29.4
55.05510	20.1
57.03433	3.3
65.03918	3.2
67.05506	40.9
69.03419	3.0
69.07070	9.2
69.87006	1.2
71.01344	2.5
71.04990	10.1
71.49062	2.2
77.03906	1.3
79.05494	48.5
80.05837	1.6
81.03428	10.3
81.07057	100.0
82.07368	1.6
83.04498	2.4
83.04982	47.2
83.08620	3.0
85.06524	5.3
87.04472	1.8
89.03934	2.0
89.97246	1.3
91.05486	24.1
93.07045	56.8
95.04968	17.9
95.08613	45.1
96.08927	1.5
97.02882	2.6
97.06535	78.5
98.06870	1.3
103.05457	6.4
105.07030	13.2
107.04961	28.8
107.08600	23.2
109.02885	20.5
109.06520	6.7
109.10142	4.1
111.08106	7.0
111.40189	1.1
115.05432	1.6
117.03358	3.4
117.07018	7.9
119.08568	4.3
121.02847	1.5
121.06493	9.6
121.10119	7.8
123.04425	4.6
123.08072	2.0
125.02379	1.7
125.05987	3.7
131.04912	3.5
131.08600	8.8
131.96124	1.4
133.10147	11.1
135.04434	7.9
135.08061	9.9
135.10710	2.1
135.11696	30.1
137.05879	1.5
139.07558	1.5
142.66858	1.3
145.02817	4.6
147.11674	2.1
149.06046	6.5
149.09621	4.0
149.13274	13.0
151.03885	5.5
151.11153	2.2
153.05545	3.1
159.11691	14.5
163.03894	6.0
163.07536	4.2
167.03410	2.4
167.07028	5.7
167.14281	2.1
177.05511	12.9
177.12730	15.0
195.02901	4.3
195.06575	6.8
195.08136	2.1
195.10088	2.0
195.13808	16.3
195.15523	2.1
207.33952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03954	8.0
55.01863	5.3
55.05513	19.0
57.03436	6.4
57.07055	1.9
65.03934	4.4
67.05511	69.2
69.03425	2.2
69.07073	15.7
71.01352	1.6
71.04998	14.7
77.03929	1.9
79.05499	64.9
81.03426	19.2
81.07059	100.0
83.04984	31.6
83.08618	9.2
85.06532	4.2
89.06022	1.8
91.05489	39.7
93.03397	1.8
93.07051	71.8
95.04965	13.5
95.08615	43.3
96.08897	1.3
97.06541	15.1
99.08055	1.7
103.05478	3.5
105.04520	2.3
105.07040	15.7
107.04963	14.2
107.08601	27.9
109.02897	1.7
109.06530	32.8
109.07270	2.4
109.10156	5.2
111.04433	2.9
111.08075	6.6
117.03324	2.0
117.07024	17.4
119.08586	5.1
121.06512	10.4
121.10143	11.0
123.08067	2.9
125.06070	1.6
128.25941	1.4
131.04921	1.6
131.08589	16.5
133.02881	1.7
133.06438	1.8
133.10136	16.5
135.04442	3.1
135.08066	8.4
135.11700	31.1
138.06808	2.3
145.02837	2.8
146.52548	1.5
149.09602	2.2
149.13264	17.7
151.03975	1.9
151.11200	1.7
153.05502	3.5
157.78210	1.4
159.11710	19.0
163.03934	3.7
163.07550	3.5
165.06950	6.9
167.07047	4.5
167.08473	1.5
177.05510	5.3
177.12762	13.2
179.08502	1.8
180.09338	5.5
195.02910	11.2
195.06506	4.3
195.08232	1.8
195.10127	3.7
195.11751	10.6
195.13820	32.1
195.15547	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.10890	1.2
53.03946	6.6
55.01854	5.9
55.05517	18.8
57.03444	6.4
57.07056	2.3
65.03927	3.7
67.05509	54.1
69.03419	2.8
69.07075	12.6
70.65578	1.5
70.68610	3.4
71.01344	1.9
71.05005	9.4
73.02914	1.6
79.05496	53.1
81.03419	14.7
81.07061	100.0
82.07383	2.0
83.01334	2.0
83.04985	26.5
83.08602	4.6
85.06529	3.5
89.03938	3.0
91.05489	30.7
93.07049	62.6
95.04980	14.9
95.08613	46.2
97.06544	16.0
99.08080	2.6
103.05461	5.9
105.04497	2.7
105.07049	16.7
107.04962	39.2
107.08599	23.7
109.02878	5.3
109.06514	9.2
109.10146	4.0
111.04468	1.5
111.08096	4.1
113.91049	1.6
115.05437	2.2
117.03353	5.3
117.07028	14.6
119.08620	2.8
121.06513	9.8
121.10159	7.9
123.04427	3.2
123.08012	2.0
125.05964	1.6
125.09572	1.5
129.07045	1.7
131.08575	14.5
133.02899	1.6
133.06416	1.5
133.10126	12.3
135.04399	6.4
135.08046	14.7
135.10709	2.5
135.11696	34.7
137.05968	2.3
143.69185	1.3
145.02818	7.3
147.11609	1.5
149.05969	4.4
149.09618	4.4
149.13284	14.6
150.09084	1.7
151.03867	2.1
151.11171	1.7
153.05452	2.2
153.09081	2.2
154.06146	2.1
159.11702	15.9
163.03938	5.4
163.07567	9.9
165.06963	1.5
167.03371	1.6
167.07048	6.2
167.08447	2.4
177.05502	9.4
177.12773	13.2
180.07823	2.1
180.09312	1.8
195.02873	11.7
195.06523	6.6
195.08095	1.2
195.10112	6.3
195.11740	5.9
195.13794	21.6
195.15547	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	5.8
55.01867	4.3
55.05514	20.2
57.03421	6.2
57.07067	5.8
57.07329	1.6
65.03935	3.5
67.05506	66.9
67.99820	1.5
68.90753	1.6
69.07066	16.0
69.33797	2.7
69.34200	12.9
71.01339	3.7
71.04996	7.8
72.15986	1.6
79.05494	51.4
81.03420	20.9
81.07054	100.0
83.04984	29.7
83.08628	11.0
85.06535	5.3
89.03922	10.4
91.05485	36.2
93.07046	75.5
95.04972	12.9
95.08611	50.8
97.06535	16.8
97.10146	2.0
105.04560	1.9
105.07034	15.4
107.04962	11.0
107.08591	27.9
108.14251	1.4
109.02928	1.9
109.06516	5.5
109.10162	6.4
111.08105	9.2
117.03401	17.1
117.07024	15.6
119.08553	7.2
121.06520	10.0
121.10144	10.8
123.08073	1.9
131.08577	18.0
133.02812	1.6
133.10133	21.9
134.03555	2.2
135.04398	3.8
135.08083	8.6
135.11694	35.4
139.11177	6.8
145.01776	2.7
145.02850	32.1
147.11655	2.5
149.05965	7.8
149.09616	3.7
149.13281	18.5
151.11121	2.2
153.05452	5.3
159.11688	22.1
163.03918	5.2
165.06950	2.6
167.07027	1.6
177.05479	36.6
177.09091	2.3
177.12764	15.9
180.09340	2.2
190.53528	1.9
195.02824	3.4
195.06520	3.9
195.11708	4.1
195.13805	26.3
195.15637	2.0
195.17430	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03951	7.0
55.01880	5.5
55.05516	21.3
56.96566	4.8
57.03437	8.6
57.07061	3.1
58.69023	0.7
59.04984	1.0
65.03957	3.8
67.05508	76.1
69.03412	2.4
69.07072	22.1
69.50927	5.8
71.01340	2.2
71.04996	7.4
73.02890	1.2
73.54893	0.8
77.03915	0.9
79.05497	55.7
79.57922	0.8
80.05796	1.1
81.03423	33.8
81.07059	100.0
83.04982	30.3
83.08622	9.7
84.05354	0.8
85.02909	1.0
85.06541	3.5
87.04466	1.2
88.01823	1.4
89.06010	1.3
91.05486	42.5
93.07047	74.5
94.07382	1.0
95.04974	11.6
95.08611	43.8
97.06528	14.3
97.10181	0.9
99.04404	0.9
99.08075	2.9
103.05459	2.8
105.04514	1.8
105.07031	16.7
107.04966	10.6
107.08600	25.1
109.02834	1.6
109.06527	5.8
109.10180	5.0
111.04448	1.0
111.08086	5.9
113.06054	0.9
113.09621	1.5
115.05454	1.4
116.06265	0.9
117.03389	1.6
117.06228	1.4
117.07020	18.6
119.08588	4.7
121.06516	12.9
121.10157	9.4
123.04399	1.2
123.08050	1.8
123.11700	1.6
125.05960	0.8
129.07014	1.4
131.08575	17.7
133.02853	1.1
133.10130	19.7
135.04439	1.2
135.08078	6.7
135.11693	27.6
136.12044	0.9
137.06013	1.1
139.03894	1.0
139.07484	1.8
144.09322	1.4
145.02844	2.7
147.11699	1.5
149.05933	2.7
149.09628	2.6
149.13261	17.2
151.11154	2.6
154.06430	1.4
159.11708	20.5
163.03889	2.4
163.07590	1.2
163.30617	0.8
165.07045	1.0
167.07022	1.9
167.08925	1.2
167.14313	1.0
171.99008	1.0
177.05498	5.4
177.12773	11.9
185.04933	0.9
195.02846	4.3
195.06528	3.2
195.10126	3.4
195.11925	1.7
195.13809	22.9
195.15579	1.2
196.09630	1.3
196.17038	1.2
212.01480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	7.8
55.01879	6.9
55.05511	20.1
56.96568	3.6
57.03444	6.3
57.07069	3.1
65.03948	3.2
67.05505	66.3
69.03425	3.3
69.07070	20.3
71.01324	2.5
71.04990	8.9
71.49402	2.2
77.03910	2.1
79.05495	54.2
80.05874	1.2
81.03424	32.2
81.07057	100.0
83.04986	25.8
83.08604	8.6
85.02917	1.9
85.06544	7.0
89.06018	2.0
91.05485	35.1
93.03387	1.8
93.07046	63.8
95.04972	12.2
95.08607	38.6
97.06532	12.7
99.08102	1.7
99.52596	1.4
103.05440	6.4
105.07032	16.8
105.42206	1.3
107.04949	20.0
107.08591	25.6
109.02895	2.6
109.06511	4.6
109.10133	5.1
111.04411	1.7
111.08064	5.8
115.05429	1.9
117.03426	2.0
117.07011	12.9
119.08578	5.0
121.02907	1.9
121.06506	13.2
121.10136	11.2
123.08089	3.2
123.11687	1.9
131.08572	12.9
133.02824	2.0
133.10127	18.5
135.04489	2.2
135.08075	10.5
135.11694	34.1
139.03897	3.3
139.07556	2.0
144.09297	1.7
145.02794	2.4
147.11629	1.7
149.06001	1.7
149.09644	2.0
149.13260	20.0
151.03981	1.6
151.11133	2.6
152.04729	1.8
152.41286	1.4
153.05418	1.6
154.06236	5.9
159.11699	18.7
163.03868	2.8
163.07568	4.5
165.07014	3.5
167.07042	3.9
177.05434	5.3
177.12747	16.4
179.47171	1.3
180.09372	2.9
195.02943	11.2
195.04559	1.6
195.04857	1.4
195.06500	11.6
195.10193	2.0
195.11725	5.1
195.13802	23.9
195.15652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.58526	1.0
53.03939	4.6
53.98079	0.9
55.01866	4.6
55.05516	14.8
56.96551	1.1
57.03442	6.6
57.07055	2.3
65.03928	3.1
67.05510	58.5
67.51070	0.9
69.03410	1.3
69.07066	14.4
69.41371	8.1
70.06580	1.3
71.01350	2.0
71.04995	5.1
73.02931	1.2
74.25089	1.1
75.26669	1.0
77.03919	1.6
79.05501	41.2
80.27364	0.9
80.96561	1.0
81.03426	10.4
81.07062	100.0
83.04990	11.1
83.08633	7.8
85.06542	4.8
87.04451	1.1
89.03912	1.5
89.05984	1.5
91.05488	29.1
93.07051	59.4
95.04973	10.2
95.08616	45.1
97.06538	12.0
99.08096	2.2
103.05469	4.0
105.04498	2.8
105.07032	14.4
107.04299	1.9
107.04959	19.8
107.08598	26.5
109.02854	3.3
109.06509	5.4
109.10153	4.0
111.04463	1.4
111.08109	5.2
117.03384	2.2
117.07040	10.7
119.08601	2.5
121.06522	5.2
121.10148	8.4
123.04433	1.3
123.08096	8.0
125.05983	1.6
131.05006	1.1
131.08580	12.1
133.02815	1.6
133.10144	14.1
135.04424	2.7
135.08069	10.2
135.11705	33.7
136.12061	1.4
137.05965	1.3
139.03973	1.5
139.54781	1.3
144.09337	1.4
145.02844	3.6
149.05981	4.2
149.09621	1.8
149.13281	19.4
151.03880	2.2
151.11224	1.9
153.05511	2.3
154.06262	2.5
159.11700	17.9
163.03899	3.4
163.07547	5.8
165.07086	1.3
167.07077	6.4
167.08440	1.5
177.01961	1.3
177.05447	5.3
177.12770	13.5
195.02867	6.6
195.06548	4.9
195.08333	1.2
195.10268	5.7
195.11855	2.9
195.13823	16.7
195.15588	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.50731	1.3
53.03938	6.6
55.01865	6.4
55.05515	13.5
57.03416	4.9
64.33741	1.4
65.03925	3.8
65.64758	1.6
67.05507	57.5
68.96327	1.7
69.03426	2.6
69.07071	13.6
69.89610	1.5
71.04977	7.0
71.49238	2.0
79.05494	45.4
81.03418	14.6
81.07059	100.0
83.04974	11.4
83.08603	7.3
85.06548	6.2
89.03917	2.1
91.05488	36.8
93.07045	61.3
95.04985	11.8
95.08610	42.3
97.06536	16.4
99.08072	2.9
103.05451	5.8
105.07032	15.8
107.04965	33.5
107.08601	32.1
109.02864	4.4
109.06502	9.5
109.10136	5.0
111.08095	5.3
115.05418	3.4
117.03358	4.9
117.07021	10.6
119.08569	4.2
121.06555	7.4
121.10144	9.4
123.08035	2.5
125.06009	1.7
131.08583	15.5
133.02847	2.3
133.10150	18.3
134.03635	1.5
135.04405	3.8
135.08046	9.9
135.11690	34.2
137.05949	2.1
137.09627	1.9
139.07524	2.8
145.02859	9.1
149.05963	4.4
149.09656	3.4
149.13251	21.2
151.03830	1.7
153.05502	3.1
159.11710	15.8
163.03906	5.6
163.07556	8.3
164.95712	1.5
165.05539	1.6
165.07008	1.8
167.07022	6.1
167.08357	2.1
177.05489	11.0
177.12776	14.5
180.09331	2.3
193.85681	1.5
195.02924	11.9
195.06549	9.0
195.08167	4.0
195.10130	6.7
195.11736	4.9
195.13820	20.0
195.15631	3.0
196.09767	2.0
200.59695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	4.4
55.01870	3.3
55.05513	15.0
57.03440	3.5
57.07075	2.1
61.95848	1.1
65.03938	2.3
67.05509	52.2
69.03433	1.7
69.07073	13.5
70.74943	3.0
70.97290	1.1
71.01375	1.4
71.05002	7.3
73.02925	1.9
79.05499	37.4
81.03428	8.1
81.07061	100.0
82.07428	1.4
83.04993	10.2
83.08616	7.7
85.06535	4.1
88.70181	1.0
89.03883	1.3
91.05489	24.3
93.07051	55.0
95.04978	6.6
95.08614	40.6
97.06538	10.8
99.08133	1.8
103.05475	2.7
105.07041	9.5
107.04957	10.8
107.08604	22.5
108.47829	0.9
109.02888	2.6
109.06512	6.1
109.10146	3.0
111.04463	1.1
111.08101	3.3
117.03406	2.1
117.07044	10.2
119.08587	2.8
121.06525	6.3
121.10154	9.9
123.08067	1.8
129.07021	1.1
131.08572	9.4
133.02904	1.5
133.10147	17.9
135.04443	2.2
135.08075	4.9
135.11700	33.6
135.12729	1.6
139.03882	1.8
145.02898	1.7
149.05948	1.4
149.09677	1.4
149.13272	17.8
151.11154	2.7
154.06279	1.1
159.11693	12.9
163.03896	2.6
163.07568	1.3
165.07059	1.1
167.06979	1.3
177.05518	2.5
177.12767	13.4
195.02858	5.5
195.06564	2.2
195.10127	2.1
195.11894	1.8
195.13811	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03949	7.0
55.01876	8.8
55.05515	19.9
57.03444	9.4
57.07065	1.5
57.76293	1.5
65.03944	5.9
67.05508	63.1
68.96363	1.6
69.03427	4.3
69.07072	17.1
71.01360	4.2
71.05000	9.9
77.03925	2.4
77.52692	1.2
79.05500	64.3
81.03426	45.0
81.07063	100.0
83.04984	23.7
83.08632	8.5
85.06564	6.8
89.03934	3.5
89.06047	2.6
91.04908	2.4
91.05481	49.7
91.35443	1.6
93.03410	1.8
93.07051	65.3
94.07442	1.5
95.04975	17.2
95.08617	44.7
97.06535	16.8
97.10201	1.4
98.21639	2.2
99.08076	2.0
103.05486	12.6
105.03370	2.1
105.07043	26.5
105.07706	2.5
106.04200	1.3
107.04966	79.8
107.08601	30.9
109.02919	6.8
109.06538	10.5
109.10173	6.3
111.04443	3.5
111.08109	7.1
115.05462	6.3
117.03403	5.0
117.07029	15.4
119.08591	4.6
120.05739	2.7
121.02911	3.2
121.06522	18.5
121.10145	10.6
123.04443	4.8
123.08090	14.0
124.05254	1.5
125.06042	2.4
125.09650	1.4
131.08589	14.7
133.02863	4.7
133.10153	22.7
135.04413	8.4
135.08070	22.6
135.11707	31.8
137.05986	3.3
139.03886	5.7
139.07535	2.6
141.82028	1.5
144.09406	1.6
145.02863	5.4
147.04379	1.5
149.05986	5.2
149.09607	3.2
149.13269	16.6
151.03906	4.3
151.11211	3.1
153.05464	5.0
154.06279	13.0
159.11720	17.8
163.03957	10.0
163.07570	19.2
165.05481	2.9
165.06932	1.7
167.03427	2.9
167.07045	21.8
167.08400	2.6
177.05478	11.9
177.12759	15.8
180.07816	4.0
195.02927	18.1
195.06548	9.5
195.08275	2.5
195.10173	18.9
195.11752	3.4
195.13823	26.3
195.15547	2.4
196.09689	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00309	1.1
53.03947	2.6
55.01878	2.4
55.05516	0.9
65.03947	1.2
67.05502	2.2
68.99783	0.8
69.03418	0.7
69.07071	1.1
69.94416	1.9
71.05020	0.7
77.03939	1.2
79.05501	14.3
81.03431	0.8
81.07057	3.7
83.04977	0.6
83.08609	0.5
87.56844	0.4
87.69431	0.4
89.03925	0.7
90.34781	0.4
91.05489	8.2
92.06291	0.5
93.03418	0.7
93.07045	3.0
94.04189	1.4
95.04973	5.4
95.08610	2.1
97.06512	0.6
97.10183	0.5
98.21168	1.0
103.05479	11.2
105.04541	0.8
105.07040	11.4
106.04189	0.6
107.04964	100.0
107.08591	2.9
108.05285	0.7
109.02882	2.5
109.06522	4.0
110.03757	0.4
111.04469	1.6
115.05461	7.2
116.06373	0.4
117.03404	1.5
117.07010	2.6
119.04950	1.0
120.05744	2.7
121.06494	1.8
121.10139	1.9
123.04447	1.5
124.05210	1.4
125.06004	9.8
125.09614	0.5
131.04930	1.4
133.02870	1.3
133.06512	1.1
135.04433	3.3
135.08061	24.3
135.11690	1.0
137.05997	3.8
137.13234	0.6
139.03908	1.4
139.07550	1.9
145.02859	2.1
145.03932	0.6
145.06570	0.6
145.07619	2.6
147.04428	1.5
148.05185	0.8
149.06013	1.4
149.09695	0.6
149.13245	0.4
151.03879	1.4
152.04681	0.6
153.05522	2.6
153.09102	1.0
154.06262	15.1
155.07056	1.5
163.03937	2.8
163.07565	37.7
164.08102	0.6
165.05527	1.2
165.06885	0.7
167.07060	26.1
177.01884	0.7
177.05438	2.9
177.09052	0.6
177.16426	2.1
180.07874	3.4
181.08780	0.5
195.02948	2.6
195.04608	0.4
195.06465	2.1
195.10185	20.9
196.10184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00302	0.9
53.03941	2.3
55.01868	0.9
55.49105	0.7
59.27194	0.5
60.85271	0.5
65.03937	0.7
67.05505	1.1
69.43071	1.1
69.43479	4.2
70.14446	0.6
77.03932	1.0
78.04709	1.0
79.05495	13.1
80.23408	0.6
81.07053	1.3
89.06025	0.9
91.05485	7.7
93.03400	1.1
93.07042	2.1
95.04971	4.5
95.08573	0.6
98.21222	1.9
103.05470	11.7
105.03394	1.6
105.07034	12.8
107.04958	100.0
107.08571	1.6
109.06506	1.0
111.04466	0.6
111.75512	0.7
115.05455	6.3
115.55158	0.5
116.06238	0.7
117.07036	3.0
119.04948	1.3
120.05724	3.4
121.06511	2.2
122.03642	0.6
123.04439	1.8
124.05228	2.1
125.06006	1.5
131.04897	1.9
133.02832	1.7
133.06497	0.9
135.04398	1.4
135.08054	25.9
137.05977	2.1
139.03912	1.6
139.07535	0.8
145.02856	0.9
145.06523	1.0
145.07614	1.9
147.04430	3.1
148.05223	0.7
149.05937	1.3
150.06790	0.9
151.03900	1.5
152.04692	1.4
154.06270	7.0
163.07545	31.0
164.08221	0.9
165.05481	4.9
167.07040	34.1
170.13077	0.6
177.05518	0.9
180.07797	10.5
180.09221	1.2
195.02867	1.8
195.06519	2.6
195.10178	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02380	1.8
53.03947	14.5
55.01881	21.8
60.34947	1.5
65.03935	2.9
67.05512	18.8
69.03424	7.3
71.01365	8.8
71.22852	3.2
77.03909	5.7
79.05504	99.2
81.03425	25.3
81.07060	30.0
83.01353	2.7
83.04982	8.8
91.05488	15.6
93.07060	16.0
95.01344	19.3
95.04978	100.0
95.08579	2.2
97.02889	11.3
97.06528	2.8
102.66271	1.9
103.05481	31.6
105.03409	5.6
105.04529	6.2
105.07027	5.3
107.04963	87.9
109.02893	92.3
109.06525	16.7
113.41431	1.8
121.06525	29.7
123.00838	2.4
123.04451	27.4
125.02349	14.5
125.05980	8.3
127.03946	13.0
131.04947	13.6
133.02831	4.4
135.04460	15.7
139.03926	2.1
149.05991	32.0
151.03923	58.5
153.05484	49.0
153.06607	1.6
159.04468	10.2
167.03477	3.6
167.07054	2.7
177.05521	17.6
195.06589	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	195.0653
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02373	0.5
51.68159	0.4
53.03944	4.2
55.01880	2.0
55.05482	0.5
65.03928	0.5
67.01839	0.4
67.05508	2.9
69.03428	0.9
71.01346	1.3
71.44578	0.5
73.02903	0.9
77.03939	1.1
79.05495	8.9
81.03424	3.5
81.07058	2.3
83.04988	0.9
91.05491	4.7
93.07055	5.9
95.04971	24.8
97.02885	1.9
103.05466	8.5
105.03397	0.6
105.04524	1.9
105.07044	1.1
105.36077	0.4
107.04227	0.6
107.04963	18.5
109.02883	100.0
109.06527	1.3
110.03184	0.6
119.04984	0.6
121.06509	11.2
123.04435	4.7
125.02351	4.5
125.05996	4.3
127.03934	2.5
131.04918	4.4
133.06361	0.4
135.04425	1.6
149.02341	0.7
149.05989	9.1
151.03906	20.9
153.05498	3.1
159.04395	1.4
163.03902	0.5
167.03395	1.4
167.07031	0.6
170.96024	0.5
177.05481	14.1
179.31607	0.4
195.06482	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	195.0653
Annotation	Isoferulic acid
Peak:m/z	Relative Intensity
51.02373	0.7
53.03950	3.9
55.01863	2.1
67.05498	2.5
69.03433	0.8
69.71451	2.1
71.01357	0.9
73.02914	0.6
77.03918	1.4
79.05502	8.2
81.03417	3.9
81.07050	1.8
83.04988	0.7
91.05481	5.2
93.07053	5.5
95.04975	25.1
97.02898	1.3
97.06522	0.8
98.20766	0.9
103.05476	7.3
105.04518	1.5
105.07048	1.7
107.04959	18.7
109.02885	100.0
109.06520	1.1
119.04986	0.5
121.06509	10.4
123.04447	5.5
125.02363	3.9
125.06013	4.2
127.03926	1.6
131.04958	3.5
133.02841	0.5
134.03712	0.6
135.04449	1.7
140.17145	0.5
140.75636	0.5
146.94368	0.5
147.04494	0.7
149.06003	11.0
149.07143	1.0
151.03905	21.5
151.07668	0.7
153.05461	3.9
159.04462	1.9
167.03360	0.8
167.07184	0.6
169.92036	0.5
177.05467	12.9
177.06912	0.9
195.06551	2.9
198.57391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Scytalone
Peak:m/z	Relative Intensity
50.17776	0.8
53.03939	1.6
55.01860	1.5
55.05490	1.0
60.05463	1.1
63.24812	0.9
69.95325	4.4
79.05491	3.4
81.03418	2.1
81.07059	1.1
83.04973	1.2
83.72115	0.9
91.05466	1.1
93.07056	2.4
95.04955	4.1
98.20775	1.1
103.05453	2.9
105.07024	1.8
107.04956	9.1
109.02883	100.0
120.05758	0.8
121.06531	5.1
123.04401	1.0
125.02348	3.2
127.03932	4.0
131.04944	1.9
135.04416	1.0
135.08025	1.5
149.05972	5.1
151.03906	3.7
153.05405	1.4
154.06216	0.9
163.07608	2.5
167.07074	1.8
174.42532	0.9
177.05502	16.5
189.17467	0.8
195.06581	1.0
195.10233	2.2
203.57335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Ferulate
Peak:m/z	Relative Intensity
53.03939	2.9
55.01868	2.7
55.05499	1.0
56.97968	0.7
57.02631	0.9
63.27466	0.7
67.05510	1.2
70.25539	2.1
70.25941	1.3
79.05495	4.9
81.03413	4.1
81.07051	1.1
83.04993	1.5
91.05482	2.5
93.07041	2.5
94.26038	0.7
95.01349	1.0
95.04993	6.4
97.06528	1.9
102.44758	1.0
103.05473	3.6
107.04967	7.1
107.38438	0.9
109.02883	100.0
121.06488	6.6
123.04443	2.4
125.02364	2.9
125.05964	2.4
127.03925	3.9
135.04459	1.7
149.05986	6.9
151.03915	4.2
153.05467	2.0
159.04451	1.1
167.03389	1.1
167.07065	0.8
177.05472	11.7
195.06560	2.6
195.08353	0.7
207.71245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	5.8
55.01857	5.8
55.05513	23.5
55.36981	1.4
57.03422	4.1
57.07066	5.4
59.04982	4.1
65.03928	2.8
67.05181	2.2
67.05507	28.0
69.03413	3.9
69.07070	18.8
69.20712	14.1
71.04980	5.5
71.08625	1.5
77.03952	1.6
78.81535	1.5
79.05490	30.2
81.03419	12.6
81.07058	31.8
83.04971	13.9
83.08617	9.2
85.02904	1.6
85.06541	12.8
88.78075	1.8
91.05475	21.0
93.07047	26.8
93.15501	1.4
95.04976	13.0
95.08608	37.4
97.06517	6.2
97.10159	5.9
99.08096	14.5
103.05460	14.8
104.06259	1.8
105.07031	100.0
107.04939	6.4
107.08594	32.5
107.59086	1.4
109.06520	20.6
109.10155	54.6
111.08081	6.1
115.05471	14.9
118.04169	10.9
119.04958	3.2
119.07769	1.4
119.08570	28.0
121.06497	2.8
121.10150	62.3
122.07262	4.1
123.04436	1.9
123.08074	14.5
123.11704	15.3
125.09632	2.4
129.07005	2.8
131.04884	4.2
131.08516	3.0
132.05705	2.4
133.02861	1.6
133.06494	67.9
133.10124	47.2
134.07237	1.9
135.04381	2.2
135.08066	2.6
135.10712	2.7
135.11696	40.4
137.05989	7.7
137.09615	43.1
137.13246	2.1
143.04947	2.1
143.06017	4.6
147.04367	2.2
147.08057	2.1
147.11674	8.3
149.09627	2.6
149.13264	4.4
150.06755	6.1
151.11153	5.1
151.14804	10.5
157.10030	2.1
161.05988	49.7
165.05504	3.1
165.09126	8.9
165.16411	10.2
169.98972	1.6
171.05487	1.7
175.11157	2.6
175.14841	34.1
178.06345	1.8
193.04990	9.5
193.08600	28.0
193.12268	4.0
193.15883	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	195.0653
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02383	2.1
53.03952	18.5
55.01878	19.2
55.05508	2.2
65.03940	3.3
67.05502	16.1
69.03433	5.2
70.96628	3.5
70.99104	2.1
71.01340	5.2
75.98565	1.7
77.03921	8.4
79.05493	98.3
79.29994	2.0
81.03424	34.0
81.07056	30.0
83.04965	7.8
91.05490	19.6
93.03405	1.9
93.07057	14.0
95.01322	20.7
95.04967	100.0
95.08636	2.2
97.02905	11.8
103.05466	33.6
105.03380	8.2
105.04517	7.8
105.07055	5.5
107.04960	96.1
109.02880	79.6
109.06528	14.9
121.06500	23.0
123.04448	25.2
125.02362	15.2
125.06008	11.1
127.03898	11.8
131.04942	14.4
133.02852	4.8
135.04404	9.1
137.53973	1.8
149.05980	25.6
151.03906	62.5
151.05154	3.1
153.05466	52.4
159.04390	9.3
167.03360	2.8
177.05510	16.2
191.40146	2.2
195.06548	11.2
201.62476	2.0
207.00279	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	3.8
55.01884	4.8
55.05514	12.2
57.03422	1.6
57.07075	2.9
59.04987	2.4
62.88688	0.9
65.03938	1.4
66.04706	1.0
67.05506	16.1
67.85826	1.3
69.03423	1.5
69.07078	14.2
70.50674	3.4
71.04982	3.4
79.05493	24.0
81.03415	8.4
81.07057	21.7
83.04990	11.0
83.08617	6.3
85.06527	4.1
85.10171	1.9
90.04681	1.4
90.39420	1.0
91.05485	15.1
93.07046	18.1
95.04984	7.7
95.08610	30.0
97.06533	2.7
97.10130	1.4
99.08092	3.8
103.05475	17.8
105.03414	0.9
105.07036	100.0
106.07339	2.3
107.04952	4.3
107.08599	25.5
109.06516	8.2
109.10157	35.3
111.04427	1.6
111.08073	2.8
115.04709	1.5
115.05461	18.0
117.06994	1.5
118.04150	12.7
119.04926	3.0
119.08595	16.2
120.05742	2.2
121.06512	3.9
121.10147	30.2
123.04447	1.1
123.08066	9.0
123.11703	13.7
125.29729	1.0
131.04932	4.5
131.08560	2.0
132.05728	2.3
133.06497	76.7
133.10127	26.5
134.06944	1.2
135.04385	2.5
135.08098	1.2
135.11699	32.4
137.06010	4.5
137.09627	16.2
137.13234	2.7
139.11143	1.6
143.04988	1.4
143.06046	7.2
147.04422	3.1
147.08171	1.2
147.11700	4.5
149.05939	1.4
149.13222	6.0
150.06754	3.6
151.11221	5.0
151.14825	12.7
159.39984	0.9
161.05991	67.6
165.05487	2.3
165.09128	7.5
165.16406	6.6
175.11290	1.7
175.14822	23.5
178.06229	1.7
193.05045	5.8
193.08620	27.6
193.12244	3.8
193.15889	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03954	1.6
55.01866	1.5
55.05512	7.9
56.60893	1.0
57.03440	1.2
57.07067	1.2
58.98816	1.0
59.05001	1.1
65.03934	1.8
66.08190	0.9
67.05510	10.1
69.03415	2.2
69.06737	1.5
69.07075	24.9
70.93504	2.2
71.04661	1.3
71.04998	15.2
74.88239	1.0
79.05506	11.6
81.03423	1.9
81.07059	21.2
83.04975	1.3
83.08612	4.7
85.06541	11.9
89.78695	0.9
91.05482	10.9
93.06499	1.6
93.07047	25.0
95.04971	39.3
95.08611	21.2
97.06522	3.0
97.10159	8.0
99.08086	3.8
103.05477	2.3
105.07037	24.8
107.04977	1.9
107.07890	1.5
107.08604	32.8
109.06521	100.0
109.10156	14.8
110.06884	1.6
111.08112	6.0
111.11726	2.3
115.05482	1.2
117.06989	1.3
118.04183	2.0
119.04941	1.4
119.08585	27.1
121.10159	7.5
123.04425	1.2
123.08067	7.6
123.11705	18.1
131.08569	1.9
133.06503	11.6
133.10135	27.6
135.04413	1.2
135.11693	34.5
137.05972	2.4
137.09615	14.0
146.97478	2.0
147.04251	0.9
147.11696	4.9
149.02345	1.8
149.13268	8.0
150.06735	2.1
151.11157	4.3
161.05971	6.6
161.20723	0.9
165.09113	3.1
175.11244	1.1
175.14828	37.2
176.42299	1.0
193.04976	4.5
193.08612	5.1
193.10332	1.4
193.12267	7.5
193.15889	56.7
203.90942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.60321	2.2
53.03933	3.1
55.05513	33.8
57.07068	5.1
59.04991	4.0
65.03923	4.1
67.05508	31.7
69.03436	13.8
69.06798	2.1
69.07075	22.1
69.66494	3.4
69.66909	9.3
70.43381	2.2
71.04980	4.1
79.05499	16.4
81.03408	2.6
81.07059	38.1
83.04984	33.1
83.08620	18.3
85.06535	5.3
91.05480	15.9
93.07053	23.2
94.34621	2.1
95.04973	5.3
95.08612	68.6
97.06509	5.1
97.10141	3.2
99.08103	3.9
103.05463	7.5
105.07034	55.5
105.07700	4.1
107.04947	3.2
107.08595	55.6
109.06530	19.7
109.10161	100.0
111.08087	9.2
115.05434	8.8
115.73123	2.2
119.08595	68.2
121.10160	40.6
123.08070	50.7
123.11703	10.6
125.09634	3.7
131.05043	2.2
133.06506	29.0
133.10127	56.2
135.08119	2.6
135.11693	95.1
137.09619	40.0
138.10391	7.3
143.06053	3.0
147.11644	4.6
149.13263	17.1
150.06781	2.4
151.11197	16.7
151.14856	11.6
161.05981	27.0
165.09068	4.8
165.16292	4.3
175.14842	52.0
193.05029	3.9
193.08636	16.1
193.15900	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
52.47139	1.2
53.03956	8.4
55.01871	6.0
55.05519	8.0
57.03159	1.7
57.03442	35.1
57.07078	1.1
57.82581	1.1
63.78801	1.0
65.03938	4.5
65.76838	1.0
66.04726	1.2
67.05511	20.4
69.03425	3.7
69.07064	3.9
69.45820	7.4
71.04983	2.3
74.25397	1.0
78.04712	1.2
79.05496	37.2
81.03424	49.7
81.07069	14.6
83.04971	4.4
83.08609	7.6
85.06549	2.2
85.09333	1.1
90.04726	1.6
91.05489	49.8
93.07057	28.6
94.04195	1.4
95.04972	27.9
95.08603	5.9
97.02902	1.7
97.06542	2.8
103.05479	16.4
104.06244	2.4
105.04533	3.6
105.07041	100.0
107.04953	11.3
107.08610	6.5
109.02911	2.0
109.06535	8.5
109.10151	6.2
111.04459	1.7
111.08056	2.1
115.05466	11.4
116.06200	1.0
117.07023	4.2
118.04179	13.2
119.04969	5.6
119.08591	41.7
120.05804	1.9
121.05682	1.6
121.06518	26.7
121.10162	3.6
122.03634	1.1
122.07271	3.3
123.04440	4.0
123.08079	2.6
124.05222	1.3
129.06992	6.3
131.04941	4.5
131.08586	7.5
132.05724	3.1
133.02852	1.8
133.06505	59.2
133.10132	30.4
134.07300	1.3
135.04425	4.1
135.08073	7.6
137.05981	12.3
137.09618	14.7
142.07771	4.6
143.06036	2.5
145.06476	1.7
145.10103	2.3
146.07231	1.8
147.04410	2.6
147.08067	9.7
147.11702	22.8
148.05186	2.5
148.93007	1.3
149.05977	2.7
149.09625	4.6
150.05914	1.1
150.06799	12.4
151.03883	1.2
151.07556	1.4
157.10139	7.9
160.08835	3.8
161.05986	23.4
165.05467	2.3
165.09131	23.4
165.12766	2.4
166.19823	1.2
175.03860	1.3
175.11186	26.7
175.14836	3.1
178.02628	1.5
178.06181	3.2
193.04951	9.1
193.08626	26.5
193.10234	1.0
193.12244	30.4
193.15909	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03944	1.7
55.01872	3.6
55.05498	0.8
58.02866	0.5
65.03935	1.3
67.05506	2.3
69.65887	1.4
69.66296	2.4
77.03938	1.1
79.05497	13.4
81.07055	1.0
86.23088	0.5
86.35798	0.6
90.04699	1.2
91.05482	7.6
93.07085	1.1
95.04967	8.0
95.08624	1.8
99.08115	1.9
102.04692	0.7
103.05478	15.9
105.07033	100.0
107.04946	1.0
107.08591	1.1
109.10159	1.5
115.05458	23.0
118.03319	0.6
118.04163	12.1
118.04945	1.1
119.04943	2.3
119.08615	1.2
123.04446	2.1
131.04948	3.1
132.05769	1.0
133.06494	88.8
133.10165	1.9
134.06863	1.4
135.11702	1.1
137.06030	1.0
137.09628	1.2
143.04941	1.5
143.06056	7.2
146.18391	0.6
147.04413	4.1
151.03926	2.2
161.05984	93.6
162.06267	1.1
163.03882	0.7
165.05440	0.9
165.06932	0.7
165.09264	0.9
175.03920	1.3
175.07649	0.9
175.14827	1.5
193.04939	3.2
193.08629	12.0
193.12154	0.7
193.15915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
51.02373	1.1
53.00291	0.8
53.03738	0.7
53.03949	7.1
55.01868	2.3
56.20903	0.6
59.11022	0.7
65.03941	5.0
67.05509	12.2
69.03407	0.6
71.01351	2.8
71.11843	1.5
77.03934	3.2
79.03310	0.8
79.05503	9.3
81.03427	1.5
81.07057	1.8
91.05483	50.4
93.07054	1.8
93.78390	0.6
95.04969	100.0
95.65712	0.6
96.05318	0.7
97.02907	0.9
97.26697	0.7
99.05419	0.6
103.05465	7.5
105.03410	3.3
105.04510	3.5
105.07030	24.4
107.04953	1.4
109.02902	1.0
109.06523	1.8
115.05458	5.3
118.04162	2.8
119.04945	56.3
121.02789	1.1
121.06495	1.9
123.04430	37.9
129.49182	0.7
131.04927	3.5
133.02861	1.9
133.06494	21.7
137.05969	2.1
143.04977	0.8
143.06065	1.7
147.04411	45.1
149.02339	1.3
149.05974	1.1
151.03906	49.3
161.05991	22.1
165.05460	4.7
170.65112	0.6
175.03906	14.9
192.33208	0.6
193.04942	7.6
193.08673	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	193.0861
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.65536	1.0
53.03949	6.5
55.01862	4.8
55.05499	2.8
57.03422	2.8
58.23672	0.9
65.03932	2.7
66.04721	2.1
67.05509	8.2
69.03420	2.5
69.07066	2.2
77.03925	2.1
79.05496	37.3
81.03416	10.4
81.07052	6.1
83.04969	2.1
83.08584	1.4
88.68127	1.0
90.04698	1.1
90.68748	1.0
91.05484	30.1
92.06253	2.4
93.07052	10.5
94.04167	3.3
95.04973	9.0
95.08652	2.3
97.06506	1.5
98.21566	2.2
103.05471	21.1
104.06239	3.8
105.03426	1.4
105.04522	1.8
105.07036	100.0
106.07300	1.0
107.04961	12.0
107.08588	2.1
107.64697	1.1
109.02859	1.4
109.06501	6.4
109.10160	1.8
115.05450	9.2
117.07010	2.4
118.04173	20.7
119.04982	6.9
119.08584	7.5
120.05766	5.8
121.06522	9.1
122.03630	3.4
122.07285	4.4
123.04450	8.5
123.08086	2.6
124.05198	2.6
128.98648	1.1
129.07018	2.6
131.04898	3.1
131.08536	2.3
132.05664	3.1
132.49741	1.0
133.06496	70.3
133.10104	9.1
134.07260	3.5
135.04437	8.4
135.08058	10.2
135.11682	1.8
137.05975	22.9
137.09659	1.5
142.07843	1.4
143.06053	1.5
146.97466	1.3
147.04318	2.0
147.08037	1.9
147.11685	4.6
147.12837	1.0
148.05176	4.5
149.02347	2.4
149.06010	3.2
149.09637	1.2
150.06766	26.0
157.10170	2.0
161.05972	19.8
165.05582	1.3
165.09119	38.4
165.10548	2.4
170.06625	1.8
175.07523	1.9
175.11223	3.5
175.14896	2.2
178.06245	4.0
186.95821	1.2
187.90269	1.1
193.04987	12.4
193.08615	38.3
193.12234	25.1
193.15913	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.59467	1.6
53.03932	1.5
54.63585	1.5
55.05511	16.8
57.07059	3.2
67.05503	19.5
68.40403	1.4
69.07073	44.3
70.11594	5.7
70.11929	1.5
71.08603	1.8
71.10109	1.4
71.64132	1.4
79.05504	15.8
81.07059	22.4
83.04762	1.4
83.08629	17.4
91.05502	8.2
93.07048	59.8
95.04974	1.8
95.08612	85.8
97.10161	10.8
98.21480	1.9
103.05484	1.4
103.12150	1.6
105.07053	7.8
107.07881	3.4
107.08601	62.2
109.06539	1.5
109.10161	41.7
119.08611	3.1
121.10151	97.1
123.11726	10.1
131.08572	2.7
133.10156	1.6
135.08185	1.9
135.11703	60.8
145.10117	2.9
149.13287	15.4
163.14801	2.6
173.09564	1.8
173.13304	1.9
191.10710	2.4
191.14346	5.5
191.17961	100.0
192.18242	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	193.0496
Annotation	trans-o-Hydroxybenzylidenepyruvate
Peak:m/z	Relative Intensity
51.02386	0.8
53.00295	1.4
53.03742	0.8
53.03949	8.5
55.01865	2.7
57.62227	0.9
58.84403	0.7
65.03938	5.4
67.05506	12.9
70.91612	1.9
71.01344	2.6
76.18230	0.9
77.03917	4.0
79.05494	12.0
81.07053	1.7
90.94214	0.8
91.05482	54.1
93.07030	1.0
95.04967	100.0
95.26467	0.7
96.05308	1.2
97.02929	1.0
103.05459	9.7
105.03382	3.1
105.04560	4.9
105.05127	1.0
105.07033	41.9
107.04941	2.6
109.06515	1.5
115.05450	8.6
118.04156	5.3
119.04942	61.4
120.05382	0.9
121.02843	1.1
121.06489	2.1
123.04427	43.0
131.04938	3.7
133.02843	3.0
133.06493	35.8
135.04460	1.1
137.05992	2.2
142.90135	0.8
143.05042	1.0
143.06062	3.4
147.04405	46.6
149.02365	2.5
149.06013	1.8
151.03905	51.1
161.05981	39.8
165.05473	3.9
175.03902	17.3
176.37927	1.0
182.86214	0.9
192.35316	0.8
193.04984	7.9
193.06648	0.9
193.08548	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01861	2.2
55.05489	3.5
57.07071	1.6
62.64372	1.7
67.05506	25.8
69.03428	2.3
69.07072	10.3
71.04993	21.1
71.22461	1.7
71.22781	3.3
79.05497	16.1
81.07056	13.1
83.04964	2.5
83.08625	2.9
85.06525	7.4
91.05487	22.8
93.07041	16.7
95.04976	15.0
95.08612	20.1
96.38440	1.7
97.06534	4.9
103.05463	8.4
105.07041	34.2
107.04932	3.7
107.08593	44.5
109.06528	33.1
109.10159	94.3
115.05443	4.4
117.07004	10.9
118.04156	2.1
119.06130	1.8
119.08585	15.9
121.06487	7.8
121.10150	31.3
123.08051	15.1
129.07007	4.9
130.07777	2.3
131.04932	5.7
131.08571	52.1
133.06497	2.4
133.10139	22.0
135.08060	97.4
135.11694	4.1
143.08583	5.1
145.06537	2.0
145.10139	13.9
147.08064	4.3
147.11702	10.6
148.05222	4.1
148.08858	2.2
149.09645	14.7
149.13301	10.2
150.10361	3.0
158.10896	6.7
161.09688	2.4
163.07555	4.7
163.14856	2.6
173.13266	56.3
176.12003	3.7
185.17502	2.2
191.03329	2.8
191.06964	6.1
191.10699	6.2
191.14310	100.0
212.02655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05783	2.9
53.03941	3.5
55.05509	4.8
56.89329	2.4
57.03431	2.8
60.01035	2.8
65.03948	3.4
67.05486	14.8
69.03432	6.3
69.07070	8.3
71.04990	10.0
71.21534	6.2
72.74532	2.8
79.05486	12.0
81.07059	7.2
83.08621	4.5
88.45628	3.0
91.05490	31.4
92.38998	2.9
93.07050	18.1
95.04961	24.5
95.08604	11.5
97.06539	7.1
103.05476	10.9
105.07040	46.8
107.04967	4.1
107.08595	36.6
109.06512	21.4
109.10159	33.9
115.05441	4.9
117.07036	11.3
118.04184	4.4
119.08578	26.5
120.05687	3.8
121.06475	6.6
121.10151	22.4
123.08077	10.7
123.11742	3.9
129.07037	5.5
131.05009	7.1
131.08572	62.6
133.10141	100.0
135.08067	47.4
135.11630	3.8
143.08586	11.1
145.06439	4.0
145.10101	27.5
147.11688	12.2
148.05205	6.5
149.09656	10.6
149.13272	19.0
158.10934	19.6
160.05066	3.1
161.09717	3.4
163.07561	10.0
163.14890	4.1
173.13269	68.7
176.04675	8.7
176.12030	4.0
191.07042	66.2
191.10693	4.2
191.14317	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05498	2.8
67.05492	5.0
69.03085	1.2
69.03431	15.0
69.07056	6.4
69.51384	6.1
79.05498	4.2
81.07068	5.7
83.05000	6.4
83.08603	1.9
85.06532	3.8
91.05482	4.7
93.07037	6.8
95.04939	2.2
95.08611	16.9
97.06531	5.3
98.20842	1.4
103.89237	0.8
105.07033	8.9
107.04895	0.9
107.08593	15.4
109.06515	10.0
109.10151	3.2
110.63231	0.8
111.08079	1.4
117.07040	1.8
119.08588	8.0
120.39455	0.8
121.06492	3.5
121.09342	1.0
121.10151	12.1
123.08089	4.2
129.07002	1.3
131.04887	1.5
131.08553	14.8
133.10139	12.0
135.08054	17.0
135.11649	6.1
136.08757	1.0
139.13496	0.8
143.08537	4.8
144.09419	1.7
145.10110	10.2
147.11676	6.0
149.09616	16.8
149.13245	5.6
150.10390	4.0
158.10895	9.7
161.09598	2.7
163.07545	1.5
163.11191	6.4
163.14836	4.9
173.13260	44.8
176.11995	4.5
191.06999	1.3
191.14302	100.0
192.14621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03956	1.5
55.01862	2.2
55.05503	5.2
55.66652	1.8
57.03428	2.3
57.07075	3.1
59.04992	2.8
60.70996	1.4
63.79619	1.4
65.03934	1.7
67.05183	1.5
67.05511	16.2
69.03423	3.7
69.07078	12.9
71.05008	10.1
71.07159	3.1
79.05482	8.8
79.21672	1.4
81.05612	1.5
81.07052	11.4
83.04958	2.0
83.08624	3.2
84.68810	1.8
85.06509	2.3
91.05480	24.4
93.07050	16.4
95.04974	28.4
95.08620	10.8
97.06526	6.7
103.05493	3.0
105.07043	43.8
107.05013	1.5
107.08608	33.9
109.06520	23.8
109.10162	43.7
111.08096	2.8
115.05456	4.4
116.06250	1.7
117.07026	9.5
119.08586	22.4
121.06506	5.7
121.10157	23.5
123.08077	12.3
123.11710	3.0
129.07007	4.3
130.07819	3.9
131.08583	55.9
133.06487	2.2
133.10139	100.0
135.08067	40.3
135.11662	2.5
143.08553	11.8
144.09438	3.5
145.10123	25.4
147.08116	1.7
147.11708	10.7
149.09651	9.9
149.13275	24.2
158.10936	20.2
161.09633	2.9
163.11159	2.3
163.14857	2.6
171.11667	1.9
173.11761	3.4
173.13278	69.7
176.04701	2.6
191.07066	16.5
191.14330	68.3
191.16084	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01860	2.3
55.05524	4.6
57.07079	2.2
57.63717	1.0
63.32812	1.0
65.03926	1.4
67.05525	5.1
67.05800	0.9
69.03432	10.2
69.07073	6.0
69.66099	3.2
69.66530	2.7
71.04977	3.5
78.03767	1.0
79.05497	10.0
81.07053	5.9
83.04974	7.2
83.08663	1.6
85.06537	1.7
91.05488	20.0
92.28470	0.9
93.07051	12.2
95.04967	2.9
95.08605	6.8
95.15860	0.9
97.06552	7.0
98.21608	1.0
101.79300	0.9
102.03780	1.3
102.04684	2.8
103.02148	2.6
103.05484	20.5
105.03415	1.7
105.07046	34.0
107.04951	2.9
107.08606	23.4
109.06513	3.7
109.10158	3.5
110.78179	1.0
114.05544	2.0
115.05482	6.3
116.06262	1.6
117.07024	13.3
118.04164	3.5
119.04920	1.3
119.08588	13.5
120.04749	1.4
121.06499	5.7
121.09340	1.3
121.10159	15.2
123.04387	1.3
123.08085	5.7
123.11745	2.9
128.06194	1.3
129.07014	3.6
130.04173	3.3
130.07782	1.7
131.04961	12.2
131.07596	2.0
131.08578	34.1
133.02869	1.3
133.10146	85.3
134.10469	1.1
135.04456	1.3
135.08064	12.1
135.11691	3.2
137.09595	1.1
143.08553	5.5
144.09384	2.5
145.06508	4.7
145.10155	14.7
147.04417	1.2
147.08090	1.0
147.11690	10.6
148.05209	5.0
149.05931	1.6
149.09631	9.3
149.13269	9.8
158.10941	11.6
159.04372	1.7
161.09598	3.5
163.03941	2.9
163.07547	12.0
163.14806	2.7
173.05992	2.3
173.09517	1.2
173.13286	41.2
176.04712	13.3
176.11943	1.5
184.02895	1.0
191.03410	3.9
191.07042	100.0
191.10678	6.7
191.14328	71.3
192.07379	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03944	3.3
53.86258	1.3
55.01865	2.3
55.05510	3.7
57.03435	3.9
57.07081	2.1
59.04998	2.5
65.03942	1.8
67.05521	9.3
69.03419	4.4
69.07080	8.2
71.04986	6.2
71.06105	3.0
77.03929	1.7
79.05491	13.0
81.07067	11.2
83.04985	3.4
83.08616	4.7
85.06509	2.5
91.05488	21.9
93.07053	16.3
95.04954	6.2
95.08614	12.5
97.06520	6.1
98.00359	1.5
103.05472	10.8
105.07044	50.1
106.06533	2.2
107.04958	2.2
107.07878	2.8
107.08595	41.1
109.06535	13.8
109.10167	20.7
115.05465	2.5
117.07054	8.7
119.08585	27.4
121.06514	5.6
121.10152	25.4
123.08056	6.3
123.11707	4.4
129.07027	4.3
131.04962	8.6
131.08582	40.1
133.10141	100.0
135.08070	28.1
135.11693	4.8
143.08589	9.4
144.09325	2.7
145.06448	2.9
145.10132	23.7
147.11700	12.3
149.09631	8.0
149.13274	23.9
150.10352	1.8
156.09224	1.6
158.10912	15.8
161.09618	2.5
163.03941	4.3
163.05827	2.2
163.07533	5.4
163.11189	3.1
163.14844	5.3
171.11794	1.8
173.05989	2.7
173.13274	55.9
191.03401	5.4
191.07002	6.7
191.08917	6.9
191.10568	2.7
191.14320	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05503	3.3
57.03444	1.2
57.07059	1.5
65.03928	1.6
67.05512	8.6
69.03420	5.0
69.07076	6.1
69.07374	1.0
69.63566	4.2
69.63969	2.0
71.04992	5.9
74.52930	1.3
74.79866	1.0
79.05501	11.4
81.07064	9.2
81.64896	1.2
83.04972	2.4
83.08598	2.0
85.06539	3.7
91.05489	19.6
93.07046	12.0
95.04961	7.2
95.08617	8.7
97.06535	6.7
103.05465	7.4
105.07043	36.0
106.06570	1.3
107.04978	3.5
107.08603	22.6
109.06516	13.6
109.09471	1.8
109.10168	20.7
111.08071	1.3
115.05457	3.2
117.07022	12.1
118.04207	1.5
119.08601	12.5
121.06522	4.0
121.10165	15.6
123.08041	8.0
123.11681	2.2
129.07028	3.2
130.07770	1.5
131.04918	5.3
131.08578	46.0
133.06458	1.5
133.10139	100.0
135.08061	28.8
135.11707	3.3
143.08575	7.0
144.09338	4.3
145.06517	4.4
145.10144	16.2
147.08029	1.9
147.11691	8.8
148.05127	2.1
148.08817	1.5
149.09639	11.1
149.13281	10.8
158.10945	12.0
160.05185	2.4
161.09610	1.4
163.03905	2.8
163.07555	5.1
163.11229	2.3
163.14835	3.3
168.22929	1.4
173.09634	1.6
173.13275	53.9
176.04703	5.9
176.11960	1.4
185.54620	1.1
191.03398	2.1
191.07037	51.5
191.10704	4.8
191.14328	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01873	6.1
55.05501	5.7
57.07067	1.2
60.79476	1.0
63.79582	1.0
67.05492	4.5
67.44431	1.1
69.03432	56.9
69.07065	20.4
70.23028	4.6
71.04979	2.8
75.83369	1.4
79.05499	9.4
81.07053	6.7
83.04978	4.0
83.08614	2.3
85.06525	1.2
90.60560	1.1
91.05486	14.7
93.06499	1.4
93.07046	20.2
95.04967	3.8
95.08606	8.1
97.06531	4.7
103.05464	4.7
105.07033	12.8
107.04956	2.4
107.08598	34.9
109.06508	4.8
109.10175	5.6
111.08075	1.5
117.03210	1.2
117.07008	5.5
119.08573	13.3
121.06508	15.5
121.10149	23.8
123.08096	6.0
129.06964	1.7
131.04924	4.3
131.08549	20.2
133.06490	1.5
133.10136	34.1
135.08057	24.7
135.11676	10.1
137.09618	2.4
143.08560	3.6
144.09340	2.2
145.10144	8.3
147.08096	1.6
147.11684	34.7
148.08804	1.6
149.09608	10.8
149.13266	17.3
158.10904	5.7
159.08038	4.9
161.09628	5.7
163.03896	1.7
163.07591	2.4
163.11198	5.3
163.14842	6.2
165.20213	1.2
173.05968	1.4
173.13269	27.0
176.11975	4.8
191.03413	2.2
191.07042	5.7
191.14308	100.0
192.14612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03936	3.4
66.04704	2.6
66.72718	1.3
68.99801	1.4
69.07014	1.4
69.81015	6.5
77.03911	1.9
79.05489	8.1
85.02862	1.9
90.04687	3.4
91.05491	13.5
93.07031	3.2
95.04971	3.8
95.08600	2.3
97.06478	1.3
98.20808	1.4
102.04689	7.4
102.05245	1.4
103.05468	100.0
105.03401	8.6
105.07029	13.5
107.04930	7.1
107.08574	3.8
109.06510	2.1
109.10172	1.6
115.05451	7.8
117.06994	4.8
118.03320	1.4
118.04165	25.3
119.04963	9.7
119.08568	5.0
120.05717	5.1
121.06474	1.8
121.10180	2.3
130.04175	9.5
131.04932	68.5
131.08556	7.3
132.05669	4.1
133.02856	17.7
133.06512	8.8
133.10115	4.1
135.08028	8.1
145.06447	4.4
145.10193	3.4
146.03624	5.7
147.04395	4.0
147.11729	2.3
148.05191	50.2
149.06013	1.6
149.13222	1.3
158.10860	2.0
159.04416	4.2
161.05856	1.7
161.36165	1.4
163.07550	64.8
173.05968	4.6
173.13234	5.2
176.04692	11.7
186.16853	1.5
187.56392	1.2
191.07025	61.3
191.10654	1.8
191.14296	8.9
212.18735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0501
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
71.15971	0.4
77.49657	0.3
89.03928	1.3
116.05000	3.2
144.04469	3.1
145.75679	0.3
162.05524	100.0
163.05882	1.8
190.05014	32.7
190.08646	1.2
191.05382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
53.03950	0.2
56.84539	0.2
65.03926	0.2
67.93829	0.2
69.38765	0.3
69.39171	1.3
71.01350	0.5
75.41586	0.2
79.05488	0.4
89.03925	0.2
91.05487	1.8
95.04983	0.3
103.05475	0.6
105.07037	0.2
107.08648	0.2
110.06045	0.4
115.05473	0.7
116.04998	0.3
117.05761	0.9
117.07037	0.6
118.06554	1.0
119.07390	0.2
120.08123	10.9
129.05688	0.2
130.06520	1.2
131.04884	0.2
131.07329	1.7
132.08162	0.2
133.08829	0.2
133.10172	0.4
135.08075	0.3
136.07579	0.3
142.06540	0.2
143.07320	1.0
144.08101	5.2
145.06528	0.3
145.08842	0.4
146.09666	9.0
151.45337	0.2
162.05537	3.4
163.07568	0.3
166.05013	0.4
173.13306	0.2
179.21364	0.2
188.07086	0.3
190.08649	100.0
191.07185	0.4
191.08963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0862
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
53.00310	0.4
53.03944	0.3
63.85334	0.2
68.05037	0.2
71.01348	0.5
71.49138	0.4
72.39650	0.2
74.62312	0.2
79.05474	0.4
91.05478	2.2
92.05002	0.3
93.07046	0.3
94.06564	0.3
95.04970	0.3
103.05471	1.0
105.07027	0.4
107.08590	0.3
115.05447	0.6
117.05766	0.8
117.07010	0.8
118.04133	0.2
118.06527	1.5
119.07295	0.2
120.08114	12.9
121.10094	0.3
121.79261	0.2
127.58558	0.2
130.06544	1.4
131.07339	2.2
131.08345	0.3
132.08022	0.3
133.08878	0.3
136.07521	0.5
143.07285	0.8
144.08095	5.6
145.06450	0.5
146.06049	0.3
146.09654	9.3
147.04465	0.4
155.04889	0.4
155.06062	0.3
162.05502	0.7
162.09132	0.3
168.83545	0.2
173.05972	1.1
175.07146	0.2
176.31203	0.2
190.08636	100.0
191.07121	0.5
191.08954	1.9
191.14456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05516	7.2
57.07057	1.1
65.03941	0.9
67.05510	7.6
69.07072	11.5
69.83447	4.6
72.93788	1.3
79.05510	6.4
81.07059	11.0
83.08629	5.3
87.04477	1.4
91.05486	14.9
93.07050	6.8
95.08618	28.5
101.19741	0.9
103.05476	1.1
105.07043	39.4
107.08607	15.5
109.06550	0.8
109.10171	4.0
115.05499	1.4
117.07055	4.1
119.08592	63.6
121.10159	7.4
128.06250	1.0
129.07057	1.9
130.07852	0.9
131.08560	8.8
133.06512	1.5
133.10147	54.4
141.06914	0.9
143.08630	1.5
145.10155	9.3
146.10912	6.0
147.08078	0.9
147.11708	43.4
156.09401	1.3
158.19305	0.8
159.07938	0.9
159.11732	4.8
160.12473	2.1
161.09679	1.9
161.13290	8.1
164.98378	0.9
165.98744	1.7
171.08028	1.0
171.11707	2.5
174.06779	1.1
174.14107	4.0
187.14888	1.1
189.05447	2.1
189.09102	4.1
189.12738	7.7
189.16402	100.0
190.16724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.05512	7.7
57.07069	1.6
64.14211	0.8
67.05508	6.9
69.06731	1.1
69.07076	11.3
70.08614	3.2
73.01393	0.9
79.05508	4.3
81.00613	0.8
81.07059	11.5
83.08638	4.5
91.04945	0.8
91.05484	13.6
93.07057	7.4
95.08612	27.1
103.05472	0.8
105.07037	36.1
107.08601	13.1
109.10154	4.8
115.05472	1.4
117.07025	4.3
119.08588	57.7
121.10146	7.4
121.17771	0.8
129.07045	1.6
131.08566	9.5
133.06473	1.7
133.10141	53.8
134.10846	1.5
143.08578	1.0
145.10103	7.3
146.10854	3.1
147.08177	1.1
147.11700	45.8
149.02368	1.4
156.09370	1.3
159.08087	1.4
159.11673	4.7
160.12485	2.2
161.05940	1.0
161.09570	1.4
161.13261	7.5
171.11687	3.3
174.10378	1.3
174.14043	3.8
189.05464	0.9
189.09135	2.3
189.12753	7.9
189.16396	100.0
190.16772	2.4
194.36484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03935	1.4
55.05514	7.2
58.72645	0.8
63.16046	0.8
67.05250	0.7
67.05511	8.2
69.07073	13.6
71.49102	1.3
72.93772	1.3
73.03698	0.9
79.05489	5.7
81.07059	11.5
83.08622	4.4
88.74595	0.9
91.05484	14.5
93.07060	7.1
95.08613	30.6
103.33849	0.9
105.07040	38.9
106.51556	0.8
107.08611	13.3
109.10162	5.9
115.05407	1.5
117.07011	3.5
119.08590	71.4
121.10151	6.6
128.06264	1.1
129.07013	2.4
131.08571	10.8
133.10139	57.8
143.08548	2.1
145.10118	8.9
146.10883	3.4
147.08055	1.6
147.11694	47.0
149.02280	1.5
156.09273	1.0
157.10222	0.9
159.11694	6.6
160.12453	2.9
161.13287	10.0
164.98480	1.3
165.98688	1.7
171.11710	2.6
174.14063	3.2
188.08885	0.9
189.05440	2.0
189.09094	2.4
189.12726	8.3
189.16391	100.0
190.16733	2.7
209.97990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03932	1.1
54.48625	1.1
55.05518	10.2
57.07085	1.1
57.33541	0.9
58.45859	0.9
61.04369	0.9
65.13566	0.9
67.05516	11.0
69.07073	13.1
70.92489	1.0
70.92825	1.6
79.05503	8.5
79.82404	0.9
81.06598	1.3
81.07067	20.3
83.08617	2.6
91.05489	23.4
93.07054	10.3
95.04967	1.3
95.08614	43.2
97.10176	2.2
103.05484	1.5
105.07040	46.6
107.08603	18.7
107.89420	0.9
109.10164	8.9
115.05425	1.4
117.07033	3.6
118.07876	1.0
119.08593	76.3
121.02863	1.2
121.10159	9.0
128.06259	1.5
129.06998	3.4
131.08586	9.7
133.10143	57.5
135.11772	1.1
143.08606	2.9
145.10150	10.5
146.10924	3.4
147.08070	1.2
147.11716	38.8
148.12041	1.0
149.02325	1.3
156.09375	2.1
159.11693	3.2
160.12457	2.6
161.05945	0.9
161.09625	1.4
161.13297	12.9
171.11697	5.1
174.14040	3.1
189.05498	1.7
189.09145	3.4
189.12767	14.7
189.16406	100.0
190.16693	1.0
194.76561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71315	1.8
55.82412	1.5
55.89286	1.8
69.03426	1.9
70.87281	3.9
70.87621	2.3
91.05488	3.3
93.07068	1.6
105.07040	11.4
107.08632	2.2
118.03972	1.5
119.08599	18.6
128.06274	3.6
129.06999	4.0
130.07794	5.8
131.08553	5.7
133.10121	6.3
141.07034	11.5
142.57159	1.6
143.08536	6.3
144.09320	2.6
145.10135	18.2
147.08051	8.4
147.11729	14.7
155.08601	2.5
156.09361	59.1
157.09738	2.1
159.08101	5.3
159.11702	15.3
161.09599	3.0
161.13245	2.7
171.11703	73.8
172.11981	2.2
174.10362	9.4
189.12761	100.0
205.54092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
65.03935	1.4
67.05510	2.1
69.03436	6.1
69.25583	9.7
70.98808	1.2
79.05489	2.0
91.05480	6.7
93.07013	1.8
95.05007	1.5
105.07041	14.4
107.08583	2.9
115.05456	2.6
117.07016	4.2
119.08589	19.7
128.06186	5.4
129.07037	6.0
130.07770	4.6
131.08556	5.5
133.06459	2.1
133.10139	7.0
141.06979	11.1
142.07803	1.8
143.08600	9.1
144.09348	3.0
145.10139	23.2
147.08047	8.3
147.11696	19.3
155.08556	2.5
156.09355	68.1
157.06461	1.5
157.09735	2.1
159.08043	6.8
159.11710	17.2
160.08832	1.2
161.05978	1.6
161.09613	2.5
161.13268	2.6
171.11693	81.7
172.12029	1.3
174.06769	2.6
174.10419	9.4
189.09279	5.6
189.12752	100.0
190.13130	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05496	2.2
57.07067	1.0
63.09988	0.9
69.03439	9.2
69.07056	2.7
70.26932	1.0
70.54265	1.9
70.54662	1.8
79.05476	3.3
81.07027	1.6
81.85348	0.9
83.04958	1.5
85.63646	0.8
89.73779	1.1
91.05490	11.8
93.07059	2.4
93.82957	0.9
95.04966	1.4
95.08611	1.1
98.20924	1.2
103.05463	2.1
105.07037	19.1
107.04948	2.8
107.08587	2.7
115.05449	6.7
116.05809	3.3
117.07022	5.6
119.04942	1.6
119.08588	25.4
121.06525	2.1
121.10133	1.8
128.06248	8.5
129.07025	12.8
130.07784	6.7
131.04921	3.5
131.08578	9.3
132.05714	1.5
133.06483	5.0
133.10136	10.5
141.06990	7.7
142.07826	1.6
143.06894	16.6
143.08571	11.5
144.09331	2.9
145.06483	2.7
145.10141	19.5
146.07295	4.3
146.10918	1.8
147.04407	2.5
147.08058	10.8
147.11710	21.3
153.07050	1.2
155.08533	3.4
156.09357	55.5
157.06477	3.3
157.09784	1.3
159.08037	6.7
159.11717	13.2
160.05196	9.2
160.08812	2.1
161.05994	19.6
161.09645	15.3
161.13243	3.2
171.06363	7.6
171.08043	2.5
171.11694	64.5
172.12080	1.5
174.06789	8.4
174.10397	10.3
189.05464	5.0
189.07428	3.1
189.09142	28.4
189.12753	100.0
190.06282	1.4
190.13148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01864	1.3
68.99776	0.5
70.78101	0.7
70.78441	1.0
71.39581	0.4
77.03910	1.1
79.05486	1.2
91.05492	8.8
93.07024	0.7
95.08594	0.7
103.05461	1.5
105.03410	2.6
105.07039	6.5
108.68829	0.5
115.05457	14.5
117.06986	1.9
119.04961	0.9
119.08581	7.7
128.06232	8.0
129.06165	0.7
129.07022	7.0
130.04114	0.9
130.07770	0.6
131.04932	1.7
131.08568	2.5
132.05696	2.7
133.02766	0.6
133.06499	9.1
133.10126	2.3
141.06958	0.7
143.04942	3.5
143.08572	8.8
145.06487	1.1
145.10155	1.5
146.07278	1.1
147.04384	2.1
147.08040	0.9
147.11684	1.5
148.05212	1.2
155.06071	0.5
156.09352	2.2
157.06454	2.4
158.07204	0.9
159.08070	1.0
160.05206	72.3
161.05988	100.0
161.09563	5.4
161.13274	0.9
162.06346	1.8
171.08095	3.9
171.11736	3.3
174.06786	9.2
174.10397	1.5
189.01845	1.6
189.05666	2.5
189.09122	69.6
189.12672	6.9
189.16405	1.4
190.09395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32910	0.9
52.17133	0.8
53.03947	1.2
55.01871	7.1
55.05489	3.6
65.03920	2.0
67.05190	1.2
67.05506	18.2
69.07074	5.2
71.04995	1.2
71.22478	1.8
78.08206	0.9
79.05493	19.5
81.07062	10.2
83.04976	1.7
85.06526	1.0
91.05484	70.3
93.03400	1.0
93.07049	10.7
95.04996	4.5
95.08581	5.3
97.06517	4.0
103.05456	1.8
104.06322	0.8
105.07036	39.9
107.04933	4.1
107.08584	5.0
108.81732	0.9
109.06524	2.3
111.08106	1.2
115.05435	3.6
117.07023	17.7
119.04912	1.1
119.08585	23.3
121.06493	3.9
121.10183	2.2
123.08102	1.5
128.05412	1.0
128.06226	7.5
129.07008	36.7
129.52998	0.9
130.07762	3.3
131.08565	4.9
133.06503	2.9
133.10129	17.0
135.08054	1.2
143.08563	20.5
145.10124	28.5
147.08032	9.8
147.11691	12.4
155.06123	1.3
156.09395	4.5
159.11702	2.1
161.09544	3.0
161.13269	13.7
171.11694	56.3
172.11885	1.5
174.06709	1.0
189.05409	1.4
189.09132	2.8
189.12743	100.0
189.16382	3.0
190.13121	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1484
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03950	0.9
55.05495	1.2
57.07072	1.4
66.34008	0.6
66.62827	0.6
67.05510	1.7
69.03413	0.9
69.07098	1.5
69.75847	2.8
79.05494	2.2
81.03416	1.7
81.07044	5.2
83.08625	1.2
88.02227	2.8
91.05486	13.7
93.07039	3.6
95.04985	0.7
95.08626	3.9
98.20875	0.6
103.05460	1.1
105.07037	11.8
107.08609	1.9
115.05458	6.0
116.06247	4.7
117.07022	9.6
117.82607	0.6
119.08582	15.7
119.09374	1.1
128.06209	1.6
129.07011	5.2
130.07802	5.9
131.04945	4.8
131.08578	38.5
133.10165	2.2
139.51096	0.6
142.07770	0.7
143.04930	2.8
143.08580	8.6
144.05763	1.2
144.09329	3.1
145.10133	100.0
146.10460	1.8
152.53464	0.6
157.10143	7.8
158.10925	6.1
159.06972	0.8
159.08093	1.4
159.11697	13.8
169.10164	1.0
172.12489	7.9
187.03920	12.4
187.07562	1.3
187.11368	3.3
187.14835	81.5
188.15144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
59.22468	0.4
70.66296	1.5
84.04478	0.4
91.05483	4.7
101.32579	0.4
103.05495	0.8
115.05446	5.9
117.05775	1.1
117.07017	4.5
118.06544	78.8
119.06892	1.2
120.75292	0.4
128.04953	0.7
132.08112	0.7
142.06528	6.9
143.07295	11.9
144.04468	1.3
144.08089	25.9
145.06543	0.5
146.06010	100.0
147.06335	1.5
155.06024	1.5
160.07628	1.2
170.06018	9.7
188.04399	1.0
188.07072	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	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34452	0.2
62.25919	0.3
64.75006	0.3
67.01844	0.3
67.05501	1.0
69.03423	0.7
69.15040	3.3
79.05467	0.4
81.03426	0.7
84.04502	0.4
85.02908	0.3
85.25272	0.3
88.02215	0.8
91.05487	3.9
97.08360	0.3
103.05470	1.1
105.06316	0.3
105.07031	5.7
113.07185	0.3
115.05451	4.7
116.06265	2.4
117.07024	4.2
119.07713	0.4
119.08585	11.1
128.06218	3.5
129.07010	13.4
130.07808	2.0
131.04050	0.6
131.04938	5.3
131.08569	10.4
141.06984	1.4
142.07797	0.8
143.04933	2.3
143.08524	1.6
144.05716	5.1
144.09351	19.9
145.06480	1.4
145.10167	3.0
147.08055	0.8
153.07043	0.4
154.07765	0.9
155.06055	0.7
156.05740	0.9
157.06528	1.7
157.10089	1.8
158.07243	0.5
158.10947	0.4
159.04457	0.7
159.08070	8.6
159.11699	29.6
160.12061	1.0
169.10104	2.0
171.08046	0.5
172.05276	2.1
172.08846	11.7
173.00821	0.4
186.10327	0.5
186.35886	0.3
187.03918	10.2
187.07613	13.0
187.11186	100.0
188.07945	0.3
188.11508	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1331
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.48550	1.7
53.03938	2.5
55.05502	3.1
59.04991	2.5
59.23673	1.6
67.05500	5.7
68.38744	1.7
69.03426	6.7
69.37872	4.7
69.38290	8.5
71.01364	2.1
71.05004	4.6
79.05495	3.8
81.03415	8.5
81.06659	2.7
81.07068	29.9
83.04958	3.0
83.08618	3.3
84.04505	2.9
85.02909	4.4
88.02227	5.7
89.03915	4.9
90.04263	6.3
91.05500	8.6
92.24281	1.8
93.07064	15.4
95.04990	2.1
95.08603	5.9
103.05463	3.7
105.07050	11.2
107.08611	53.3
109.06531	18.9
109.10169	25.1
115.05469	29.5
117.03442	2.7
118.03715	8.5
121.10186	2.2
123.02383	2.2
123.08026	3.1
123.10943	3.2
123.11721	29.1
127.03919	3.5
131.04945	51.0
131.08546	2.4
132.05292	2.6
133.10110	12.1
136.93887	2.2
143.04945	17.0
144.05661	3.0
146.03142	8.9
151.11195	46.1
159.04391	5.7
159.06364	4.6
159.08069	4.6
173.00876	2.9
187.03926	100.0
187.05769	5.9
187.07581	8.6
187.11122	2.8
188.04340	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	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.98801	0.4
53.23332	0.4
56.05044	1.2
58.06604	1.0
60.08165	20.2
70.06593	0.4
71.07378	10.7
71.95267	0.5
73.93832	0.4
76.18453	0.5
86.09707	100.0
87.10048	1.0
91.15448	0.4
98.21154	3.2
98.98470	18.9
101.95033	9.2
104.10742	4.5
117.07044	0.7
119.96101	2.8
123.62640	0.4
125.00006	81.2
137.97089	1.1
142.97646	0.6
143.01003	0.5
166.02663	0.5
167.55496	0.4
184.07344	89.2
185.07727	1.0
185.13293	0.7
189.00237	0.4
189.64943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0391
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.03938	0.7
55.01873	0.4
55.05503	0.4
67.05505	0.8
69.03441	1.6
71.01353	0.4
71.04999	0.3
71.48939	0.3
79.05492	0.7
81.03432	2.8
81.07061	1.2
83.08623	0.9
84.04514	0.5
85.02894	0.5
88.02221	3.0
89.03904	0.5
89.99770	0.3
90.04229	0.4
91.05485	2.3
95.04944	0.5
95.08589	0.8
97.02888	0.5
99.04466	0.4
103.05486	1.8
105.07034	2.5
107.08566	0.6
109.02889	0.4
115.05457	34.3
116.06236	1.2
117.07002	2.3
118.03727	0.4
119.08589	2.1
127.03919	0.6
128.06238	1.2
129.07001	2.6
130.07791	0.7
131.04930	45.1
131.08565	6.3
132.05336	0.5
133.10135	0.3
141.06990	1.6
143.04927	18.7
143.08569	1.6
144.05730	3.7
144.09323	0.9
145.06453	1.2
145.10124	9.5
154.07762	0.6
157.06535	0.4
157.10161	0.9
158.07216	0.5
158.10876	0.7
159.04424	4.5
159.06993	0.4
159.08076	4.2
159.11703	3.6
169.07660	0.4
169.10095	0.8
172.05240	2.1
172.08824	1.2
172.12433	0.8
173.00894	0.5
187.03906	100.0
187.07436	9.3
187.11169	4.6
187.14804	7.6
187.18573	0.4
188.04251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22239	3.9
69.22642	1.0
82.99849	9.9
101.00892	65.9
102.00981	1.5
111.00417	1.4
116.25681	0.5
119.01933	100.0
120.02014	2.6
124.02470	6.1
137.02965	13.7
142.03519	23.0
143.01913	1.3
143.03618	0.8
160.04579	3.3
161.02974	12.1
179.04027	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
56.94543	0.6
57.03447	4.2
59.58767	0.6
61.02925	1.8
69.03422	2.9
69.65582	3.4
73.02921	5.3
81.03410	1.0
82.99848	9.9
85.02921	4.6
97.02918	3.0
101.00891	68.5
102.00932	3.2
103.00652	1.4
103.02319	0.9
103.76883	0.6
109.53228	0.7
111.00452	0.8
111.53007	0.8
113.00894	1.5
114.00977	1.2
114.35945	0.6
114.52525	0.6
115.00631	2.0
115.02387	1.6
115.78175	0.6
119.01931	100.0
120.02006	3.5
121.01678	1.3
124.02445	5.3
125.00040	0.8
127.02404	0.9
127.03914	0.9
128.02382	0.7
131.01910	2.3
131.54794	0.6
132.02023	1.1
133.01682	2.1
137.02971	13.0
138.53561	0.8
142.03519	20.2
143.01909	6.9
144.02042	2.8
145.01671	2.4
145.03474	1.5
147.01457	1.5
147.03242	0.7
155.01892	1.6
156.02077	2.1
157.01674	2.2
157.03506	0.7
158.03648	0.9
160.04619	2.6
161.02977	16.4
161.04095	0.9
162.03168	2.2
168.02089	1.0
173.02980	1.4
174.03166	1.8
175.02765	1.8
179.02440	1.1
179.04012	7.3
184.04581	1.4
184.07442	0.7
186.03210	1.9
203.04132	0.9
204.04305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05041	1.5
58.06609	1.0
60.08174	17.8
60.99020	0.4
70.06595	0.7
70.10860	1.7
70.98561	0.4
71.07384	11.4
72.61329	0.4
86.09717	100.0
87.10050	1.2
95.89618	0.4
98.20859	0.4
98.98481	19.4
101.95036	6.7
101.95644	0.6
104.10757	4.8
119.96088	1.4
125.00021	81.4
126.00453	0.5
137.97046	0.6
143.01051	0.5
184.07365	90.4
185.07669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0655
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
51.02396	0.6
53.03953	14.8
55.01875	3.3
59.05012	1.1
65.03944	4.4
67.05516	12.4
69.03440	0.9
71.05000	0.9
77.03942	3.9
79.05503	12.0
80.02659	0.5
81.03425	2.8
81.07065	4.9
83.05003	1.0
91.05499	5.4
93.03400	0.4
93.07055	4.0
94.04216	1.1
95.04980	100.0
95.08619	4.0
96.05302	1.3
97.02927	1.0
97.06535	1.5
98.98477	1.1
103.05482	0.7
105.03403	2.0
105.04529	7.4
105.07036	8.8
105.08110	0.5
107.04968	6.8
107.08613	0.9
108.02088	0.6
109.06531	21.7
111.04450	1.1
119.08572	0.7
119.70053	0.4
121.03996	1.3
121.06510	3.4
123.00847	1.0
123.04444	74.3
123.08056	2.6
124.04796	1.1
125.02376	3.9
125.05993	1.0
127.07608	0.6
133.06549	3.4
137.06046	2.5
137.09625	0.9
139.07491	0.5
140.04703	25.7
141.05463	1.1
141.79361	0.5
151.07568	19.9
155.07059	17.8
165.05487	1.3
165.09145	1.7
178.44518	0.6
183.04405	0.4
183.04987	0.5
183.06587	4.1
183.10216	2.3
202.49731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
51.02378	1.3
53.03712	1.0
53.03954	13.2
55.01878	2.8
59.04996	0.9
65.03943	4.2
67.05508	8.8
69.03432	0.7
69.72496	0.9
69.72904	2.0
71.04987	0.9
77.03936	5.0
78.77221	0.5
79.05505	7.6
80.02615	0.6
81.03426	2.0
81.07072	3.9
83.04971	0.6
91.05483	2.7
93.03410	1.2
93.07052	3.5
94.04195	0.9
95.04976	100.0
95.08617	4.9
96.05291	1.2
97.02898	1.0
97.06528	1.4
98.21423	0.8
103.05503	0.8
105.03439	0.8
105.04536	7.7
105.07030	6.1
107.04957	4.9
107.08611	0.6
109.06522	19.0
111.04489	0.6
119.04961	0.6
121.03989	1.4
121.06528	3.1
123.00836	1.0
123.04440	71.4
123.08057	2.3
124.07581	1.0
125.02396	4.7
133.06517	2.4
137.06003	1.9
137.09590	0.6
140.04700	27.3
141.05455	1.1
151.07558	18.1
153.05424	0.6
155.07039	18.0
165.05489	1.2
165.09125	2.0
183.06560	3.9
183.10170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68523	0.5
57.03440	0.8
69.03431	0.7
69.56733	1.5
69.57154	1.5
73.02924	0.8
82.01477	0.5
82.99844	8.8
85.02938	1.2
97.02911	0.8
98.21561	0.5
99.07791	0.5
100.02505	0.5
101.00885	66.5
102.00990	2.3
114.46874	0.5
115.00636	0.9
115.02493	0.5
119.01925	100.0
120.02038	3.0
124.02456	4.1
131.01877	0.6
132.01994	0.5
133.01649	1.6
137.02962	13.5
142.03503	22.7
143.01891	2.5
143.03625	0.8
160.04541	2.5
161.02959	13.2
161.04030	0.5
174.03157	0.8
178.86623	0.6
179.04010	8.7
184.04654	1.1
187.02669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	1.9
55.01869	1.6
55.05516	4.1
56.41055	0.8
57.03436	1.4
57.07080	24.2
59.04990	2.6
62.73321	0.7
65.58099	0.7
67.05480	2.9
69.03413	1.1
69.07071	4.8
69.25063	7.1
79.05493	9.5
81.03429	6.4
81.07061	4.9
83.04984	54.3
89.03906	0.9
91.05486	3.9
93.07043	8.5
93.07581	1.1
95.04974	17.8
95.08615	1.8
97.06540	28.0
99.05560	2.4
105.07038	7.0
106.15981	0.7
107.04971	1.9
107.08611	11.4
109.06499	1.5
112.45655	0.9
117.07022	2.8
119.08593	4.6
119.66156	0.7
121.06500	4.1
121.10149	13.9
123.72402	0.8
125.05999	63.3
126.06332	1.4
130.07780	3.0
135.04359	1.2
135.08069	1.4
135.11713	6.6
145.10136	11.9
163.03894	2.5
163.11188	100.0
164.11528	3.3
169.23975	0.8
171.16382	0.7
171.90259	0.8
181.12236	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01875	0.9
55.05310	0.6
55.05517	6.7
57.03425	1.6
57.07087	3.5
58.02963	35.1
61.23603	0.8
66.88666	0.7
67.05507	23.7
69.07071	68.4
69.14958	7.2
70.06586	2.9
70.07388	0.9
74.06093	1.2
79.05502	6.6
81.06599	1.4
81.07060	22.7
82.06593	1.1
83.04971	1.4
83.08624	9.2
84.08150	10.2
84.86094	0.6
86.06096	1.6
91.05466	6.1
93.07046	10.0
93.49706	0.6
95.04975	2.2
95.08620	8.1
97.06528	4.3
98.06051	2.6
98.09683	3.2
100.07610	6.3
105.06410	1.3
105.07045	14.0
107.08599	19.3
109.06514	3.0
109.10160	47.3
112.07584	2.2
114.09173	14.2
119.08591	1.2
121.10158	2.6
123.11715	7.7
126.09156	13.3
126.12793	1.3
127.09480	0.7
128.10713	0.9
133.10139	31.0
134.10507	1.0
135.11699	19.4
135.12724	1.1
136.12016	1.0
138.11707	1.3
138.12785	26.3
140.10687	0.9
140.14357	1.5
147.11710	5.8
151.11191	10.8
153.12730	13.1
154.15955	1.8
160.34131	0.6
164.11559	1.0
164.14317	2.7
165.12746	2.6
167.08612	0.8
182.15410	100.0
183.15758	2.8
186.90195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50237	2.3
53.03937	4.8
55.01871	15.9
56.96555	4.4
57.03439	55.2
58.99860	5.3
59.04976	2.7
61.02930	34.2
61.34123	2.9
64.95611	2.8
67.05492	3.1
68.98293	4.4
69.03093	4.3
69.03432	56.5
70.99852	9.1
71.01363	2.8
71.04993	2.9
71.32555	2.8
73.02921	86.6
77.02416	2.6
79.02148	6.1
79.05487	6.2
81.01882	2.9
81.03426	22.8
82.01456	2.5
82.99844	19.2
83.05002	3.0
85.02906	61.2
86.03685	6.1
86.09709	5.7
86.99302	3.5
87.01888	7.1
87.04472	4.4
88.02682	5.4
89.00877	5.4
91.05471	3.3
93.01891	9.2
94.02683	10.8
94.99830	6.6
95.01295	3.4
95.04951	5.8
96.02412	7.5
97.01404	5.8
97.02306	3.3
97.02897	50.9
98.01436	2.6
98.97600	3.0
98.98415	2.7
99.01911	5.4
99.04430	10.3
100.02618	11.2
101.00890	98.6
101.03447	3.3
101.05937	2.7
102.00942	5.1
102.02416	25.2
102.52497	3.9
103.00613	2.6
103.02453	4.1
103.03198	3.5
105.01881	2.5
105.03415	3.9
106.02675	5.3
107.03427	3.4
108.02396	11.6
109.02842	12.2
109.06506	2.8
111.02940	27.1
112.02665	4.2
113.00875	46.0
113.02362	2.6
114.00965	9.8
114.02364	12.8
115.02448	15.9
115.03124	3.0
116.02199	3.9
117.02911	10.6
119.01924	95.7
120.02053	4.8
121.01632	3.2
121.03178	2.9
123.02929	22.6
123.04411	7.3
125.00075	4.8
126.02395	4.5
126.79055	2.4
127.02394	13.0
127.03183	2.3
127.03941	15.6
127.54446	2.4
128.02196	2.8
129.00322	4.2
129.02910	11.8
129.03967	6.6
130.03688	5.2
131.01898	53.2
131.02739	2.8
131.03575	3.0
132.01991	13.2
132.03430	12.9
133.01642	4.2
133.03458	5.7
135.02882	6.9
136.03625	4.2
137.00864	3.5
137.02861	9.7
137.07909	4.3
138.03465	13.9
138.53500	4.5
139.02411	12.2
141.03902	4.6
142.03522	15.7
143.01904	100.0
144.02019	10.9
144.03395	6.4
145.01688	5.7
145.03400	28.6
145.05046	3.4
146.03616	5.2
147.01382	10.1
151.04036	3.7
153.03967	10.5
155.01910	78.5
155.03621	9.7
156.02037	9.1
157.03464	32.5
158.03674	3.2
158.97232	4.0
159.01370	3.3
160.04602	7.1
161.02963	60.5
162.03098	5.1
162.04469	3.2
165.04189	3.2
167.01910	23.4
167.83264	2.6
168.02037	3.7
169.03461	6.6
173.02971	76.0
173.04524	3.8
174.03084	7.7
175.02885	3.0
175.04512	8.1
176.98349	3.7
179.03915	5.0
181.03453	4.9
183.05005	2.9
184.04549	2.9
184.07388	5.7
185.02960	51.1
186.03110	11.2
187.04562	3.1
191.04041	5.0
197.02960	11.5
203.04033	30.5
204.04190	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03968	2.7
55.01887	2.2
55.05528	2.4
57.03448	1.4
57.07077	22.9
59.05012	2.3
65.03944	0.9
67.05508	2.3
69.03426	1.3
69.07060	3.8
69.64333	0.6
70.79716	1.6
71.05006	1.1
79.05504	8.9
81.03423	6.3
81.07059	4.5
82.10016	0.6
83.04984	47.3
83.08630	1.0
89.03947	2.7
91.05476	6.5
93.03445	0.7
93.07046	8.9
95.04974	16.7
95.05571	0.9
95.08627	0.9
97.06532	25.3
98.97592	3.9
103.05494	1.8
105.04561	1.0
105.07021	6.8
107.04960	3.9
107.08591	9.7
116.98624	1.1
117.03383	3.5
117.07037	2.0
119.08584	4.3
121.06491	6.8
121.10151	12.1
123.08086	0.6
125.05997	66.4
126.06318	1.3
130.07791	2.3
133.10139	0.6
135.04419	5.2
135.08051	1.4
135.11685	6.6
137.06009	1.0
143.08536	1.0
145.02853	2.9
145.10133	11.4
149.05992	3.3
153.05466	1.3
154.39510	0.6
163.03902	12.8
163.11186	100.0
164.11566	1.7
171.80566	0.7
181.04980	2.1
181.08725	3.4
181.12230	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03972	1.2
55.01899	1.2
55.05532	2.5
55.08860	0.8
57.03447	0.8
57.07080	23.9
59.05023	3.1
60.06633	0.6
67.05534	1.7
69.03452	1.5
69.07073	3.3
69.13308	1.5
69.13718	6.2
79.05496	8.0
81.03432	6.4
81.07069	4.8
83.04984	48.4
91.05502	3.6
93.07050	8.8
95.04974	16.6
95.05561	0.7
95.08611	1.0
97.06530	23.4
99.05596	0.8
100.21560	0.8
105.07037	6.4
107.04984	2.0
107.08596	10.2
109.06519	0.7
117.07042	2.1
119.08573	5.0
121.06521	3.0
121.07312	0.7
121.10142	11.4
121.10948	1.0
125.05998	60.8
130.07780	2.2
133.10086	0.8
135.08061	0.9
135.11691	5.5
145.10143	10.7
147.49084	0.7
163.11186	100.0
164.11542	2.0
181.12233	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	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03943	1.0
54.64325	0.6
55.05516	1.9
56.07702	0.7
57.03432	0.7
57.07067	2.0
59.05004	3.6
67.05504	3.7
69.03423	1.6
69.07077	4.5
69.72269	3.5
69.72673	1.0
79.05509	5.7
81.07056	6.4
83.04987	1.5
83.72797	0.7
91.05496	4.0
93.07059	17.7
95.04947	0.8
95.08615	14.5
97.06534	2.4
98.21492	1.3
98.97594	5.8
103.05445	1.1
105.07039	3.3
107.04958	1.1
107.08606	32.2
109.06514	0.8
109.10170	2.6
111.04449	1.4
111.08097	1.3
116.98611	2.1
117.07024	0.8
119.08603	4.4
121.06506	4.6
121.10159	18.5
123.08089	3.4
125.06013	5.9
127.67686	0.7
135.11705	40.2
136.11980	1.2
137.13248	1.3
139.07539	8.6
145.10133	11.3
153.12735	2.3
163.03885	1.2
163.11198	32.0
181.12251	100.0
182.12590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03944	1.5
54.62362	0.8
55.01869	1.8
55.05496	2.1
57.03439	1.8
57.07082	23.2
58.44583	0.9
59.04994	2.8
61.84051	0.8
67.05511	1.4
69.03420	1.7
69.07063	2.6
69.14067	3.6
69.14497	6.1
79.05501	9.5
81.03429	5.7
81.07076	4.2
81.07484	0.8
83.04987	48.1
91.05482	3.9
93.07040	7.0
95.04980	15.1
97.05928	1.7
97.06534	26.7
99.05569	1.2
105.07037	5.1
107.04945	2.2
107.08604	11.3
117.07024	2.0
119.08561	2.6
121.06493	2.9
121.10162	12.8
125.06007	60.5
130.07803	2.0
135.08029	1.1
135.11685	6.0
145.10162	9.4
151.72879	1.0
163.03848	1.1
163.11194	100.0
164.11528	1.1
181.10631	1.3
181.12251	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	181.0859
Annotation	Massariphenone
Peak:m/z	Relative Intensity
51.08582	0.5
53.03939	1.8
55.01868	1.4
55.05505	1.2
57.03439	0.5
63.47655	0.5
65.03934	2.2
67.05508	5.4
67.62897	0.6
69.03423	1.5
69.07063	7.4
69.28772	3.3
69.29189	1.3
71.04998	0.6
79.05495	17.1
81.03402	4.9
81.07060	8.1
83.04983	1.4
85.02911	1.0
89.03915	18.4
91.05489	11.1
93.03415	1.7
93.07053	6.6
95.01341	3.3
95.04975	4.0
95.08644	1.1
97.02884	2.4
98.97557	0.9
99.04431	1.1
103.05479	0.9
105.04530	0.9
105.07028	2.0
107.04217	1.0
107.04954	18.3
107.08602	4.4
109.02842	0.9
109.06525	5.4
109.10101	0.6
111.04447	2.4
113.02371	2.0
115.05456	1.9
117.03381	23.7
117.07018	4.7
119.04935	1.5
119.08555	1.2
121.02852	0.9
121.06499	3.0
123.04414	1.6
125.02364	1.4
125.06011	0.7
125.09584	0.7
125.71067	0.5
127.02974	0.9
127.03916	17.6
135.04417	40.4
135.08078	5.7
136.04697	0.5
137.05957	2.3
139.03915	3.7
145.02850	23.1
145.03998	1.3
145.06465	0.8
146.03185	0.6
149.06010	1.4
151.07541	0.9
153.05472	11.7
153.09123	0.6
159.96771	0.6
163.03903	100.0
163.07578	2.3
164.04309	1.7
164.08289	1.3
181.04985	2.0
181.08597	27.8
182.09004	1.1
199.58052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
53.03947	8.8
54.96022	1.3
55.01863	5.8
55.05510	4.7
55.38837	1.5
56.96557	1.8
57.03434	3.1
65.03930	6.7
67.05511	13.0
69.03425	5.4
69.07069	21.4
69.60961	7.2
71.04978	3.3
71.53400	1.3
77.03924	1.9
79.05498	42.7
81.03426	14.0
81.07062	24.8
82.04218	1.7
82.67850	1.4
83.04972	5.1
85.02896	3.9
88.99967	1.5
89.03917	2.7
91.05488	36.7
93.03394	2.8
93.07053	26.1
95.01327	9.6
95.04990	13.2
95.08602	5.3
97.02886	8.4
97.06501	3.8
98.21532	1.9
98.97591	26.1
99.04446	4.6
102.51645	1.5
103.05471	9.5
103.11856	1.4
105.04510	2.5
105.07049	6.9
105.42657	1.5
106.04161	5.1
107.04964	39.3
107.08597	15.9
109.02875	1.8
109.06518	13.4
109.10159	1.8
110.03642	2.3
111.04443	4.4
113.02368	5.6
115.05459	6.6
116.98634	13.7
117.03374	4.6
117.07016	12.6
119.04900	2.9
119.08591	3.7
120.05734	1.4
121.02862	2.0
121.06515	32.0
121.10151	5.0
123.04450	5.2
123.08080	1.6
125.02357	3.2
125.06012	7.4
127.03924	54.4
134.99661	3.0
135.04437	18.9
135.08052	18.3
136.55258	1.4
137.05988	6.9
139.03915	6.0
142.16870	1.5
145.02872	4.4
145.06462	1.8
145.10118	2.0
148.05258	2.2
149.05998	17.9
151.07632	1.8
153.05470	37.4
153.09132	4.0
163.03937	20.7
163.07578	6.4
163.11182	5.7
163.14807	4.3
166.06265	3.7
167.07388	2.2
167.98877	1.4
171.06602	1.4
180.08131	1.4
181.01225	1.6
181.05093	14.5
181.08603	100.0
181.12178	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03940	0.7
58.51814	0.4
63.02369	0.4
65.03933	0.5
67.05473	0.6
69.07074	0.4
71.15416	0.6
71.15750	0.4
72.80772	0.3
79.05502	3.2
81.07057	0.4
82.19863	0.3
89.03924	17.5
91.05496	2.2
93.03425	0.9
93.07009	0.9
95.04965	1.3
107.04959	7.9
109.06489	0.4
111.04433	0.8
117.03389	20.9
117.07034	0.6
118.03700	0.4
121.06517	0.5
127.03888	1.0
135.04422	36.0
135.08095	0.7
136.04744	0.4
137.05986	0.5
139.03896	0.6
145.02859	25.3
145.03888	0.9
146.03236	0.4
153.05463	0.6
163.03912	100.0
164.04205	1.8
164.08319	0.4
181.05026	0.4
181.08592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
51.02378	0.8
53.03938	2.2
55.01873	1.9
55.05508	2.8
56.96346	0.6
56.96579	6.0
57.07083	13.4
59.05000	2.7
61.15949	0.7
65.03941	2.7
67.05494	2.8
67.05833	0.8
69.03415	1.0
69.07062	2.6
69.18198	4.5
69.18620	2.3
71.95253	1.2
72.61668	0.6
74.02581	0.6
77.03923	1.2
78.04710	2.5
79.05080	0.8
79.05506	12.2
80.06282	0.9
81.03433	4.8
81.07062	3.3
83.04993	29.4
85.06598	0.9
89.03935	2.6
90.04697	0.9
91.05493	16.6
92.06279	1.2
93.03432	0.9
93.07060	8.9
95.04379	0.9
95.04985	13.5
95.08606	1.3
97.06543	15.0
98.97598	56.1
103.05475	1.2
105.03450	0.9
105.04510	1.7
105.07048	3.8
106.04167	2.0
107.04959	7.5
107.08611	9.2
108.05753	2.8
109.06545	4.0
109.10179	1.0
111.04444	1.3
111.08084	1.5
116.97306	1.3
116.98634	31.4
117.03384	1.4
117.07023	1.9
118.04202	0.8
119.04948	1.2
119.06044	1.1
119.08578	2.6
121.02891	1.8
121.06528	6.2
121.10162	11.0
122.03699	1.1
123.04441	6.0
123.08087	1.4
125.06015	42.4
130.07768	1.2
134.99686	9.9
135.04431	7.7
135.08064	2.3
135.11700	5.2
136.05226	9.4
137.05998	14.9
137.09593	0.8
138.06805	5.4
139.03917	1.3
140.00244	4.2
145.02832	1.2
145.10162	7.0
148.05215	48.7
149.05922	2.2
151.03917	11.3
151.07503	1.0
153.00739	1.1
153.09138	0.8
158.01247	3.4
163.03929	7.8
163.11201	58.1
164.11481	0.7
165.05591	3.7
165.06737	0.8
166.06281	29.0
166.07704	1.8
167.03383	0.7
181.05087	2.7
181.08624	100.0
181.12213	21.8
181.15825	3.8
182.08928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65531	0.5
54.89080	0.7
58.70268	0.5
66.71614	0.5
70.26813	0.5
70.67252	1.1
70.67619	1.0
82.01445	4.9
100.02487	6.0
101.00853	0.6
102.94337	1.8
111.90750	0.6
115.44888	0.6
118.03532	0.6
120.95387	7.7
120.96194	1.1
138.96420	41.2
147.96945	1.5
148.95963	2.7
156.97485	100.0
157.03474	1.2
157.97597	1.6
159.47763	2.0
161.98026	10.4
168.02872	0.7
168.48309	2.8
174.00212	0.6
174.98550	36.4
175.98517	0.9
179.99091	79.6
180.99196	2.3
185.09232	0.6
198.00192	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03931	1.5
54.25051	0.3
63.02376	0.6
65.03934	0.9
71.07566	0.6
71.07899	0.5
79.05496	4.8
83.04967	0.4
89.03919	20.3
91.05491	2.7
93.03409	0.6
93.07056	0.7
95.04940	0.9
98.97551	0.7
105.04517	0.5
105.07026	0.5
107.04951	6.4
111.04417	0.9
114.54324	0.4
115.85133	0.3
117.03384	26.1
118.03759	0.5
119.04964	1.1
121.06517	1.4
125.06023	0.5
135.04416	39.0
137.05992	2.3
139.03865	0.9
145.02850	26.2
146.03206	0.6
147.40456	0.4
149.05994	0.9
163.03903	100.0
164.04259	2.0
181.04912	1.3
181.08621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02362	2.3
53.03943	5.8
55.01876	18.4
55.05515	10.9
57.03440	9.4
57.07072	2.1
65.03939	6.3
67.05509	47.8
69.03421	4.5
69.07077	12.1
69.71377	2.2
69.71681	8.0
71.05001	6.0
77.03915	2.2
79.05496	42.6
79.05965	2.5
80.05824	1.9
81.07061	100.0
83.04989	7.2
83.08613	5.4
85.06551	8.3
89.03918	2.0
90.14141	1.3
91.05486	74.3
93.07051	49.4
95.04982	11.3
95.08614	88.8
97.06532	25.3
97.84650	1.2
97.95667	1.1
99.08104	9.6
99.46761	1.2
102.06396	1.4
103.05476	7.3
105.03374	3.5
105.07037	64.8
107.04958	4.0
107.08591	22.4
108.05736	1.6
109.02879	1.4
109.06549	11.1
109.10141	11.4
111.04446	4.9
111.08078	11.0
115.05452	4.0
117.07010	4.0
118.04147	3.5
119.04951	53.3
119.08585	64.9
120.08120	1.5
121.02853	1.9
121.06485	3.7
121.10152	19.1
122.10413	1.2
123.03690	1.8
123.04460	17.4
123.08066	15.3
123.11697	6.6
124.80003	1.3
131.04968	1.4
131.08559	1.8
133.02873	10.5
133.06509	20.5
133.10143	44.8
135.04427	3.4
135.11693	41.2
136.05202	8.0
137.05965	5.5
137.09619	4.2
137.13283	2.6
146.03613	6.6
146.98346	1.3
147.04422	74.0
149.02322	3.0
149.05968	1.3
151.03920	6.1
151.07545	14.2
151.11200	4.3
161.02406	1.4
161.05997	26.5
161.07277	2.3
161.09613	3.3
161.13266	92.4
162.13641	2.3
164.04657	5.2
179.03416	38.9
179.07082	38.4
179.08685	1.1
179.10818	7.4
179.14319	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03942	7.2
55.01675	0.9
55.01876	8.9
55.05511	29.0
57.03421	1.8
57.07055	2.0
64.39629	0.9
65.03940	4.8
67.05505	100.0
69.03422	1.6
69.06725	1.6
69.07063	17.4
69.48940	2.3
69.49342	5.8
71.04989	2.5
77.03927	1.3
79.05494	65.2
81.03423	15.9
81.07056	90.9
82.07373	1.9
83.04496	1.9
83.04980	33.4
83.08621	12.8
85.06523	2.5
91.05480	55.2
93.07044	40.7
95.04966	11.1
95.08607	74.5
96.08907	1.3
97.06525	31.1
97.10167	3.4
98.20942	3.3
99.08090	2.5
105.04493	1.6
105.07031	29.9
107.08600	13.8
109.06505	7.9
109.10156	11.6
111.08077	8.6
113.09647	8.1
115.90212	1.0
117.07019	2.6
119.04913	2.4
119.08585	29.8
121.10146	6.0
123.04436	3.0
123.08044	6.0
123.11732	1.1
131.08606	1.6
133.02856	2.5
133.06454	1.1
133.10130	20.4
135.11679	5.9
137.09590	2.8
147.04366	3.2
151.07591	1.2
159.11710	1.8
161.06076	1.3
161.13260	17.5
175.70671	1.2
179.03392	9.2
179.06335	2.6
179.10686	3.5
179.14320	48.0
180.14729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.65005	1.7
53.03938	5.4
55.01871	5.1
55.05519	24.1
57.03448	11.3
57.07078	4.6
65.03944	2.3
67.05514	59.1
69.03417	6.3
69.07077	39.6
70.60645	5.5
71.05011	8.5
71.08630	1.9
73.80694	2.1
79.05070	3.2
79.05498	35.0
81.03403	4.4
81.07064	79.5
83.05006	8.8
83.08612	6.0
89.38467	1.7
91.05488	29.1
93.07056	34.3
93.23590	1.8
94.06567	2.4
95.04980	17.6
95.08618	100.0
97.06573	2.8
103.05476	2.5
105.03352	1.9
105.07038	35.2
107.08613	26.4
109.06544	19.8
109.10165	38.9
111.08078	5.5
114.60568	1.9
115.05476	2.2
117.07029	2.4
119.04961	5.2
119.08593	26.1
121.06563	1.9
121.10144	11.9
123.04445	7.0
123.08080	33.0
123.11798	2.3
133.02853	7.4
133.06438	2.8
133.10146	17.6
135.11708	8.7
137.09628	20.3
137.13287	3.5
147.04407	6.1
151.03857	2.2
151.11223	2.1
151.14859	10.7
161.05981	4.1
161.13280	21.8
179.03429	26.3
179.06290	8.6
179.10745	4.7
179.14336	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	2.0
55.01883	5.3
55.05513	8.9
57.03438	8.8
57.07075	2.2
60.64185	0.7
65.03943	2.3
67.05508	40.0
69.03427	2.5
69.07072	9.1
69.34125	0.6
69.57726	1.3
69.58134	3.3
71.04990	4.5
79.05496	31.6
81.07058	98.4
82.07396	1.2
83.04981	7.0
83.08611	3.5
85.06542	8.3
89.03950	0.8
91.05483	39.2
92.05870	0.9
93.07047	42.8
95.04977	5.6
95.08611	75.8
96.08940	1.5
97.06535	16.7
99.08089	9.1
103.05466	1.4
105.03411	0.9
105.04520	0.8
105.07035	42.9
107.08596	19.3
109.06525	7.2
109.10175	7.0
111.08089	6.5
115.19549	0.8
117.07028	3.2
118.04137	0.9
119.04964	7.3
119.08587	59.0
121.06528	0.8
121.10149	18.4
123.04462	3.8
123.08086	10.5
123.11729	2.1
133.02834	2.8
133.06497	4.4
133.10133	35.3
135.11691	35.3
136.05197	1.3
136.12057	0.8
137.05927	0.9
137.09590	3.5
137.13260	2.9
146.03638	1.0
147.04419	10.2
149.02304	1.0
151.03810	1.1
151.07553	2.1
151.11206	1.7
151.14792	1.2
159.11716	1.0
161.05998	7.0
161.13261	95.3
162.13602	2.6
164.04684	1.2
179.03436	8.4
179.07101	10.5
179.14317	100.0
180.14690	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	6.6
55.01881	11.8
55.05515	27.5
57.03433	3.6
57.07077	1.4
62.52687	1.1
65.03932	3.5
67.05508	98.8
67.14374	1.4
68.05849	1.6
69.03443	1.3
69.07070	17.9
69.21478	11.9
71.04989	3.2
73.06561	1.5
73.49902	1.3
77.03932	2.9
79.05499	65.6
81.03423	18.7
81.07060	100.0
82.07372	1.9
83.04987	32.3
83.08624	13.7
85.06533	5.0
89.03968	1.4
91.05488	60.6
92.13160	1.3
93.07048	44.2
95.04980	11.4
95.08612	80.8
96.23647	1.1
97.06535	33.6
97.10175	4.7
98.98479	1.3
99.08064	2.7
103.05480	1.5
105.03387	1.8
105.04511	2.4
105.07034	37.2
107.08604	11.5
109.06519	10.1
109.10147	13.1
111.08099	10.3
113.09653	8.0
117.07025	3.1
119.04948	6.8
119.08582	41.7
121.10147	9.5
123.04445	7.6
123.08057	5.7
128.53998	1.4
131.08554	2.1
133.02864	6.8
133.06512	2.2
133.10149	26.0
135.04453	1.6
135.11687	8.8
137.09608	4.4
143.08595	1.6
146.03687	1.5
147.04414	10.2
151.03909	2.4
161.05998	5.7
161.09644	3.0
161.13258	24.5
179.03413	24.8
179.06459	5.2
179.08655	4.6
179.10725	6.2
179.14322	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03948	2.6
55.01867	2.7
55.05508	9.1
57.03437	8.3
57.07081	3.3
59.05001	0.8
59.85858	0.6
61.51636	0.6
64.65813	0.7
65.03945	2.8
65.90305	0.6
67.05508	39.5
69.03432	2.5
69.07069	11.1
69.10813	0.5
71.04979	3.4
71.26777	1.7
77.03935	1.3
79.05499	27.4
80.94097	0.7
81.07059	100.0
82.07389	0.9
83.04975	7.2
83.08629	3.6
85.06545	9.4
91.04905	1.2
91.05486	34.3
93.07049	39.3
95.05000	3.2
95.08611	75.6
96.08947	0.7
97.05928	1.3
97.06537	20.0
97.07165	1.5
99.08089	9.7
103.05438	1.0
105.04520	1.4
105.07034	40.6
106.07394	0.8
107.08603	20.0
109.06525	5.7
109.10163	5.9
111.08086	5.1
117.07004	1.5
119.04943	2.2
119.08587	61.5
120.08840	0.7
121.10150	18.0
123.04444	1.8
123.08070	9.0
123.11705	1.3
131.08633	1.4
133.02899	1.2
133.06491	1.1
133.10136	33.4
135.11694	36.0
136.12016	0.8
137.09621	3.9
137.13240	2.3
147.04399	3.0
151.07509	1.4
151.11214	1.9
161.05913	0.7
161.13263	92.2
162.13596	2.4
179.03413	4.7
179.06993	2.0
179.14319	97.6
180.14636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	3.5
55.01870	8.0
55.05516	10.2
56.96546	2.2
57.03432	5.8
57.07078	1.4
65.03923	2.1
67.05505	44.7
67.46590	1.2
69.03421	4.7
69.07066	11.8
71.04984	5.0
79.05493	29.2
79.76874	1.1
81.03407	1.9
81.07059	95.1
82.07422	2.0
83.04982	7.3
83.08609	6.1
85.06550	6.6
89.03939	1.3
91.05481	38.0
93.06486	2.4
93.07047	38.0
94.06554	1.6
95.04964	7.6
95.08611	76.9
96.08960	1.9
97.06532	17.8
98.98449	1.9
99.08089	10.4
105.03394	2.6
105.07034	37.4
106.84493	1.3
107.04992	1.4
107.08602	18.0
109.06519	11.0
109.10165	9.3
111.08090	9.1
117.06981	2.4
119.04950	9.6
119.08583	51.6
121.06472	2.8
121.10141	13.9
123.04445	11.1
123.08057	10.7
123.11705	2.5
133.02867	9.0
133.06505	6.9
133.10143	31.7
134.10497	1.9
135.04451	3.3
135.11690	21.0
136.05170	2.1
137.05928	1.6
137.09601	5.4
146.03632	2.2
147.04411	17.2
151.03896	4.1
151.07544	3.5
151.11145	1.3
161.06003	8.7
161.09610	3.2
161.13260	81.3
162.13614	1.6
179.03397	37.8
179.06754	6.2
179.08528	2.1
179.10718	5.0
179.14313	100.0
180.14618	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	179.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
53.87947	1.5
55.01865	3.1
55.05233	1.8
55.05511	20.3
57.03423	4.9
57.07067	5.9
65.03931	4.0
67.05512	88.7
69.03436	7.8
69.07074	15.7
71.05007	7.2
77.03987	1.9
79.05498	25.6
81.03418	5.5
81.07064	66.4
83.04973	4.1
83.08617	3.4
83.70551	1.3
85.06519	2.6
85.10145	2.2
91.05489	23.2
93.07057	28.2
95.04984	21.3
95.08614	100.0
97.06565	2.5
105.07044	30.1
107.04966	2.1
107.08603	39.2
109.06503	10.3
109.10166	56.2
111.08059	2.3
119.04941	5.2
119.08594	29.6
121.06514	1.7
121.10152	10.9
123.04462	6.9
123.08069	28.9
123.11685	1.8
128.34729	1.6
131.08539	1.6
133.02849	4.6
133.06535	2.1
133.10135	13.9
135.11783	7.1
136.05243	1.5
137.05957	2.2
137.09633	22.1
137.13243	1.5
147.04419	6.5
151.03954	2.1
151.07584	2.5
151.14839	9.5
161.05981	4.1
161.09677	2.1
161.13286	20.1
164.04329	1.7
179.03436	15.8
179.06697	3.5
179.07187	2.5
179.08656	2.7
179.10683	6.0
179.14331	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03943	7.0
54.91770	1.6
55.01867	5.2
55.05508	4.0
65.03933	3.6
67.05508	20.9
69.03426	3.4
69.78676	9.9
71.01354	4.6
77.03928	3.5
79.05494	100.0
81.03415	5.2
81.06586	3.9
81.07053	43.7
83.05000	4.6
91.05476	26.4
93.07045	8.2
95.01331	2.7
95.04978	28.0
95.08620	7.0
97.02901	2.2
102.00647	2.0
103.05468	5.9
105.03400	6.1
105.04530	2.5
105.07034	48.8
105.23566	1.7
107.04959	12.8
107.08634	3.4
109.02898	6.3
109.06522	32.1
111.04440	13.4
111.08085	25.5
115.05466	6.5
117.07038	9.2
119.04955	14.3
121.06519	3.0
123.04438	12.7
123.08071	7.6
133.02855	14.5
133.06503	42.2
135.04424	4.8
135.08063	3.3
137.06000	17.8
147.04422	24.2
151.03903	46.8
151.07530	12.4
161.02383	3.1
161.06001	10.4
179.03419	28.8
179.07037	40.8
179.10585	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	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.02388	0.5
53.03945	2.9
54.27607	0.5
55.01876	10.1
55.05514	1.4
57.03442	1.1
65.03938	2.8
67.05517	4.4
68.99830	0.5
69.03452	1.1
69.07088	0.8
70.40451	1.5
74.22850	0.5
77.03933	1.3
78.04733	0.6
79.05499	21.9
81.03424	1.7
81.07065	8.5
83.01353	4.7
83.04990	2.1
83.39462	0.5
85.02914	1.7
91.05489	26.4
92.05825	0.6
93.07050	9.6
95.04971	6.9
95.08606	6.3
96.38324	0.6
99.00799	0.8
103.05478	8.7
105.03419	3.8
105.04544	1.1
105.07040	49.5
106.07368	1.0
107.04958	3.7
107.08598	2.5
108.05732	1.3
109.02892	0.8
109.06526	5.0
109.10172	1.5
111.04445	3.2
111.08087	1.7
115.05470	7.6
117.07010	1.6
118.04202	1.5
118.97546	0.5
119.04962	16.5
119.08608	2.4
121.02906	0.9
121.06512	1.3
123.04440	6.4
123.08087	3.1
123.11763	0.9
125.02364	1.4
131.04991	0.8
133.02867	5.1
133.06502	34.1
133.10127	3.9
135.04420	2.8
135.08081	0.8
135.11749	0.7
136.05214	3.5
137.06027	2.8
138.03152	3.0
146.03642	2.2
147.04420	21.2
149.02336	1.3
151.03906	5.0
151.07539	5.6
151.11183	0.6
161.05995	68.5
161.13231	1.1
162.06435	1.3
164.04807	2.4
165.75685	0.6
177.36273	0.6
179.03513	13.7
179.07050	100.0
179.10301	2.5
179.14348	1.4
180.07451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	2-Oxo-4-phenylbutyric acid
Peak:m/z	Relative Intensity
53.03937	2.6
55.01871	7.3
55.05504	1.8
65.03947	1.1
66.78071	0.6
67.05502	4.9
69.03434	0.9
70.19037	1.2
70.19416	0.9
77.03927	1.7
79.05493	20.9
81.03398	2.1
81.07054	7.6
83.00980	0.5
83.01342	5.4
83.04969	1.1
85.02885	2.0
91.05483	14.8
93.07043	7.4
95.01270	0.8
95.04961	4.3
95.08617	2.8
103.05466	8.2
105.03387	2.7
105.04525	0.7
105.07036	45.4
107.04958	3.1
107.08559	1.2
109.02883	0.9
109.06512	4.1
111.04433	6.0
111.08119	1.5
115.05464	5.8
117.07026	1.6
119.04958	6.0
121.06466	1.5
123.04430	3.0
123.08059	3.2
125.66649	1.0
133.02832	1.2
133.06499	38.4
133.10066	1.1
135.04387	1.1
137.05986	0.8
138.03127	3.8
143.04929	1.1
146.03658	1.1
147.04434	6.8
151.03918	3.5
151.07524	5.1
161.05984	68.3
162.06345	1.3
179.03734	3.9
179.07036	100.0
180.07405	1.4
192.55161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01870	1.3
60.14601	0.4
65.03938	1.9
70.78894	1.0
79.05494	1.4
81.07124	0.4
84.51663	0.4
89.03921	0.6
91.05486	39.9
92.05779	0.7
95.04973	0.5
97.78388	0.3
103.05492	2.5
105.07039	4.4
107.08539	0.4
115.05473	0.9
118.04169	1.6
119.04950	47.3
120.05275	0.8
123.04421	1.3
123.08031	0.7
123.78163	0.4
133.02872	1.2
133.06500	11.3
133.10175	0.6
136.05203	0.8
137.05972	0.6
140.07962	0.4
143.06084	0.6
146.03580	0.6
147.04417	100.0
148.04755	1.9
151.07590	0.8
161.05997	5.2
164.04756	0.7
179.03477	2.6
179.07063	11.3
179.08591	0.9
179.10606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
69.37576	4.6
78.86243	0.6
82.01446	2.1
82.99860	4.8
91.05482	1.6
95.08619	0.9
98.20767	1.3
100.02491	4.9
101.00884	47.7
102.01024	1.8
103.02465	1.1
105.07008	1.3
112.09292	0.7
115.00652	1.5
115.02427	4.3
118.03534	1.2
119.01925	100.0
119.04923	1.7
120.02045	3.0
121.91267	0.7
133.01712	4.1
133.03494	10.8
133.06488	0.8
137.02953	19.5
137.05934	0.7
142.03502	1.3
143.01935	1.3
146.03653	0.9
147.04439	1.8
151.04535	2.4
156.02106	1.4
156.03278	1.5
156.05052	7.5
156.97499	1.6
157.01659	0.6
157.03484	1.8
161.02971	26.7
161.06000	1.1
162.03152	1.1
162.09171	0.8
171.89415	0.7
173.02930	1.1
174.03151	2.8
174.06158	1.7
174.98627	0.9
179.04037	27.6
179.10693	1.0
179.99028	0.7
197.00655	0.8
197.02989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.02392	1.5
53.03949	7.2
54.38559	1.2
55.01871	10.3
55.05514	11.3
57.03431	1.5
65.03943	5.6
67.05509	10.5
68.99794	2.2
69.03423	2.5
69.63882	7.4
77.03933	3.5
79.05499	30.9
81.03426	3.6
81.07056	17.3
83.04993	5.3
91.05489	51.6
93.07044	16.2
95.04973	74.0
95.08620	11.5
97.02900	1.7
103.05493	9.6
105.03377	2.7
105.04518	5.2
105.07037	42.1
107.04959	19.7
107.08578	7.5
108.05745	5.1
108.51560	1.3
109.02882	3.8
109.06522	20.5
109.10159	1.8
110.03652	2.3
111.04468	9.0
111.08086	100.0
115.05465	5.1
118.04161	3.3
119.04949	50.5
119.08552	1.3
121.06516	8.2
123.04439	29.4
123.08076	16.6
131.04866	1.9
133.02873	5.8
133.06502	33.8
133.10127	6.5
135.04393	3.1
136.05215	6.0
137.05998	6.7
137.09590	2.1
147.04422	43.0
148.05138	2.6
151.03915	7.4
151.07564	30.0
161.05972	15.8
161.07141	2.3
161.09589	2.3
164.04646	2.1
172.53963	1.4
179.03432	23.0
179.07053	56.1
179.10571	8.7
179.14371	3.0
194.02013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Daphnetin
Peak:m/z	Relative Intensity
50.01599	0.4
50.81718	0.2
51.02388	0.8
53.00312	0.2
53.03951	1.7
55.01877	2.8
55.05509	1.5
65.03945	2.0
67.05510	4.5
68.99796	0.7
69.03424	0.6
71.01322	0.2
71.24311	0.4
77.03921	3.0
78.04707	0.3
79.05495	5.6
80.05833	0.4
81.03417	1.5
81.06134	0.3
81.07056	2.3
82.03760	0.3
83.04990	1.6
89.03915	2.8
91.05485	11.4
92.05806	0.4
93.07055	2.2
94.06560	0.5
95.04969	6.4
95.08607	0.9
97.02847	0.2
98.70936	0.2
103.05483	2.9
104.05801	0.4
105.03399	8.7
105.04472	1.2
105.06257	0.4
105.07034	6.8
107.01327	0.4
107.04963	4.9
107.08586	0.6
108.02107	0.6
108.04449	0.3
108.05784	0.3
109.02893	3.6
109.05447	0.3
109.05852	0.2
109.06513	1.8
109.10140	0.4
110.03220	2.6
111.03355	3.5
111.04448	6.1
111.05215	0.3
111.08094	0.6
115.05453	0.8
116.25073	0.2
117.03361	1.6
117.07061	0.3
118.04177	0.4
119.04949	11.7
119.08590	0.9
120.08110	0.7
121.02880	0.4
121.06520	2.0
121.10154	0.3
123.04434	37.6
123.08080	0.9
124.04759	0.6
131.04938	0.4
133.02859	38.2
133.06496	12.8
133.10110	1.5
134.03157	0.4
134.05974	0.3
135.03424	0.5
135.04425	4.7
135.08070	0.2
135.11731	0.3
136.05186	0.7
136.08885	0.2
137.05086	0.3
137.05997	1.6
137.09583	0.5
141.05463	0.6
145.04018	0.2
146.03615	0.4
147.04425	18.5
149.06050	1.2
151.03920	30.5
151.05031	3.0
151.06487	0.7
151.07545	4.0
151.11169	0.4
152.04320	0.4
161.02351	4.9
161.06026	2.4
161.09641	0.7
161.13284	0.3
164.04300	0.2
179.03403	100.0
179.06967	8.1
179.10490	1.7
179.14258	0.5
180.03764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	5,7-Dihydroxychromone
Peak:m/z	Relative Intensity
51.48943	0.4
53.00439	0.5
53.03931	1.6
55.01631	0.5
55.01875	6.7
55.05505	1.1
56.96569	2.2
57.03409	0.4
59.92705	0.5
62.57106	0.4
63.94036	0.4
65.03938	1.7
67.05506	5.6
69.03423	0.8
69.07056	1.2
69.40956	1.9
69.41357	1.2
70.98108	1.4
77.03918	1.8
79.05495	6.6
81.03432	0.9
81.07066	6.7
83.01369	0.5
83.04967	1.3
85.06540	0.5
88.99135	0.6
89.03931	2.0
91.05487	17.8
93.07057	3.4
94.06579	0.6
95.04974	5.4
95.08613	5.4
97.06525	0.9
98.20765	0.7
98.98482	0.7
103.05467	2.1
105.03399	5.1
105.04498	0.7
105.07040	13.4
107.04976	2.5
107.08579	2.2
108.05771	1.0
109.02907	0.9
109.06517	1.5
109.10165	2.8
111.04453	0.4
111.08090	1.6
115.05489	1.9
117.03394	1.2
117.07043	0.4
118.04185	0.9
119.04952	17.2
119.08583	3.4
121.02859	0.7
121.06512	1.0
121.10120	0.7
123.04434	42.3
123.08057	2.1
123.11700	1.7
124.04758	0.7
131.08551	0.8
133.02863	27.3
133.06497	7.7
133.10124	5.9
134.91661	0.4
135.04422	4.9
135.08043	0.7
135.11760	0.6
136.02179	0.6
136.05247	2.6
136.50270	0.4
137.05971	2.7
137.09622	1.1
144.02585	1.2
146.03630	1.8
147.04420	24.5
149.02324	1.0
149.06038	0.5
151.03914	10.6
151.07565	3.7
151.11133	0.5
161.02318	0.6
161.05988	12.5
161.07275	0.9
161.09598	1.6
161.13237	1.8
163.03909	3.4
164.04770	2.2
165.05489	0.5
179.03406	100.0
179.10541	3.8
179.14308	3.5
180.03726	1.7
180.07840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01855	1.2
55.05523	1.3
56.75321	0.9
56.96561	3.2
57.03428	1.7
58.99596	1.1
58.99869	3.1
61.02923	0.9
65.03925	0.9
67.05497	3.1
67.53324	0.7
68.98303	4.0
69.03452	4.7
70.02953	6.3
70.99852	1.2
71.03745	1.4
71.48210	1.1
72.20420	0.8
73.01147	1.6
73.02916	6.7
77.00926	1.1
79.05470	2.9
81.03410	2.4
81.07080	1.1
81.99087	0.8
82.01443	5.3
82.06573	1.5
83.05003	1.5
83.07345	0.8
85.01422	5.2
85.02924	1.4
86.99329	3.3
88.02208	2.6
88.03999	100.0
89.04794	4.1
91.05473	2.4
93.01906	1.1
93.03415	2.3
93.07062	1.6
94.48373	0.9
95.04382	1.5
95.04973	18.7
95.08609	1.1
97.01387	2.9
97.02884	2.0
98.97584	0.8
100.02483	10.3
101.00879	3.4
103.00611	1.1
103.02470	5.9
105.00381	2.9
105.03406	1.0
105.52013	1.0
106.06538	1.3
107.04930	2.6
109.01371	2.3
109.02878	1.8
110.03234	1.2
111.02955	11.9
113.00878	6.7
114.00957	5.7
114.03737	4.8
115.00616	2.0
115.02448	7.5
118.03526	2.9
118.92077	2.0
119.01930	5.8
119.04941	1.4
120.02093	1.1
121.01611	1.1
121.03494	2.3
125.04488	0.9
126.98774	1.5
127.02418	3.2
127.99726	0.9
129.03989	45.2
130.04099	1.3
131.01924	11.2
132.01996	13.8
133.01653	3.3
133.03534	7.5
136.93112	3.7
137.00829	9.8
137.02750	1.6
137.04469	2.5
138.03957	0.9
139.02414	1.0
143.01888	1.5
144.99841	2.7
145.03448	5.8
146.03566	1.0
146.09618	1.2
147.05058	19.3
150.03030	1.2
151.03828	1.0
152.05582	8.3
153.03979	2.8
154.03503	0.9
154.94167	5.0
155.01906	44.2
155.03674	8.2
155.05539	31.9
156.02055	1.3
156.03287	1.2
156.05112	2.8
156.97496	1.1
157.03539	1.6
160.04034	0.9
161.02913	1.3
167.05534	1.7
169.03494	2.0
170.06650	7.6
171.05058	1.4
172.95284	4.1
172.99323	3.5
173.01410	2.4
173.02977	45.0
173.04536	1.8
173.06586	11.8
174.03020	2.0
178.04915	1.8
178.08641	5.2
178.12164	1.1
179.03439	2.4
179.61192	0.9
185.02960	1.2
190.96332	1.1
191.00363	1.6
191.02316	0.9
191.03990	4.1
196.04576	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	178.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
55.05507	1.1
56.96554	3.3
57.03432	2.4
57.61881	0.7
58.99604	1.0
58.99842	3.7
60.53116	0.7
61.02927	1.2
65.03942	1.3
67.05517	4.8
68.98274	3.5
69.03439	5.3
69.20591	5.7
69.20995	1.4
70.02964	5.2
70.99855	1.8
71.03750	0.7
71.05013	0.9
73.02914	5.8
77.00910	2.3
79.05500	2.5
81.03401	2.4
81.07053	1.5
82.01455	6.6
82.06577	1.4
83.04984	1.7
83.07362	1.3
84.58823	0.7
85.01417	5.5
85.02905	1.6
86.99332	4.3
88.02210	3.3
88.03991	100.0
89.00871	0.8
89.04773	3.6
91.05482	3.0
93.01933	1.1
93.03396	1.4
93.07008	1.0
94.99823	1.3
95.01334	1.1
95.04970	19.4
95.08615	1.2
97.01404	2.6
97.02891	3.1
98.97588	0.9
100.02487	10.9
101.00896	4.5
102.00983	2.2
103.00571	1.1
103.02439	7.8
103.05464	0.8
104.02921	0.9
105.00353	4.1
105.03487	0.8
105.07047	1.6
106.06587	2.6
107.04949	2.7
108.52408	0.8
109.00612	0.7
109.01376	1.7
109.02881	1.9
109.06537	1.8
111.02949	10.4
111.04420	0.8
113.00854	7.2
113.03419	1.3
114.00934	6.6
114.02435	1.1
114.03755	3.8
115.00577	1.2
115.02454	8.6
118.02776	0.7
118.03531	3.6
118.92091	2.1
119.01914	6.3
119.04939	1.8
120.02018	1.7
120.05121	0.8
121.01659	0.9
121.03447	1.1
121.06497	1.1
122.03959	1.1
123.04393	2.8
123.08108	1.0
126.52512	1.1
126.98772	1.8
127.02402	4.2
129.03979	44.5
129.52977	0.7
130.04170	1.5
131.01912	14.5
132.02007	17.5
133.01704	3.7
133.02612	0.8
133.03499	11.2
135.03038	1.3
136.93129	4.6
137.00838	8.3
137.02582	0.9
137.04521	3.3
138.03958	1.3
139.02383	1.3
141.03973	1.4
143.01918	2.1
144.99820	3.0
145.03485	7.2
146.09650	3.0
147.01390	0.9
147.03181	1.3
147.05055	21.8
149.02988	1.5
150.03064	2.6
151.02736	0.9
151.03857	1.4
152.05588	10.4
153.03943	3.8
154.03513	0.8
154.94151	4.9
155.01903	50.9
155.03668	7.6
155.05519	35.1
156.02048	2.3
156.03258	1.0
156.04970	4.8
157.03482	2.3
161.02972	1.7
161.05893	0.9
167.05569	1.6
169.03439	2.2
170.06657	7.2
171.05066	2.0
172.95209	5.5
172.99545	4.1
173.01358	3.3
173.02960	56.7
173.06572	15.8
174.03258	2.5
178.03482	1.5
178.04993	4.3
178.08571	7.8
178.12177	1.1
179.03444	3.4
179.06996	2.1
185.02925	0.9
189.02386	0.8
189.06070	1.0
190.96304	1.5
191.00386	2.1
191.02338	1.3
191.04016	6.2
196.04568	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	178.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	2.5
55.05506	0.9
56.96547	2.4
57.03444	3.1
58.99843	5.4
59.99924	0.6
61.02896	1.5
65.03899	0.7
67.05495	2.5
68.98303	3.2
69.03429	9.2
69.07054	0.5
70.02950	2.7
70.99843	1.7
71.48069	0.9
73.01134	0.6
73.02916	3.7
77.00893	3.4
79.05487	2.4
81.01903	0.7
81.03415	3.5
81.07067	1.0
81.51183	0.5
82.01436	6.2
82.06570	0.8
82.99840	0.9
83.04978	1.1
85.01411	5.6
85.01940	0.5
85.02126	0.6
85.02901	3.0
86.03704	0.8
86.99328	5.7
87.01180	0.6
88.02211	1.2
88.03991	38.9
89.00887	0.9
89.04776	1.5
91.05472	1.5
93.01890	0.9
93.03402	1.8
93.07040	1.1
94.01848	0.6
95.01332	1.1
95.01926	0.6
95.04382	1.1
95.04967	16.3
95.08586	0.8
97.01399	2.9
97.02860	2.4
98.97581	0.9
99.76457	0.6
99.97899	0.6
100.00037	0.5
100.02478	19.0
101.00881	7.7
101.02491	0.7
102.00981	2.1
102.02314	0.8
103.00677	0.9
103.01837	0.8
103.02457	10.4
103.03119	0.4
105.00362	7.1
105.02177	1.0
105.07002	1.0
107.04961	2.2
108.02402	0.6
108.05219	0.7
109.01375	1.7
109.02867	2.4
111.02940	9.0
111.04508	0.6
112.02937	0.8
113.00880	4.9
113.02380	0.8
113.03413	1.5
113.53458	0.6
114.00989	2.1
114.03745	1.8
115.02430	8.8
116.10722	0.5
117.02156	0.7
118.03527	9.5
118.06547	0.7
118.92081	0.7
118.96751	1.7
119.01920	17.4
119.04939	0.5
120.01988	5.5
120.72153	0.5
121.01640	2.0
121.03497	3.7
121.06509	0.7
122.02106	0.7
122.03941	1.8
122.54037	0.8
123.01460	0.9
123.04398	1.2
124.03712	0.6
126.02399	0.5
126.52434	0.8
126.98752	3.0
127.02411	4.7
129.03983	65.0
130.04185	1.4
131.01909	14.9
132.02000	11.0
132.99852	0.8
133.01636	2.7
133.03479	6.2
133.64728	0.5
135.03094	1.2
136.03601	1.3
136.93126	2.3
137.00830	10.6
137.02986	3.1
137.04437	1.3
138.03036	0.7
138.04030	1.2
139.02409	1.2
141.43083	0.5
142.03598	0.8
143.01891	2.4
143.05528	0.6
144.99821	7.2
145.03453	11.6
145.99898	0.7
146.03471	1.1
146.09636	1.6
147.01367	1.2
147.03172	1.7
147.05031	40.3
148.03618	0.5
148.05113	1.2
149.02928	1.9
149.05922	0.6
150.03114	2.1
150.09164	0.5
151.02689	0.6
151.03841	1.0
152.04309	0.8
152.05557	13.3
153.03987	3.6
153.05669	1.0
154.03488	1.5
154.04680	0.8
154.94168	2.9
155.01898	59.4
155.03629	4.2
155.05515	31.4
156.02042	1.6
156.03264	1.2
156.05048	1.7
157.03444	2.3
158.03496	0.6
159.05070	0.9
161.02977	4.0
163.00909	0.9
163.04521	1.0
165.04077	0.8
168.05067	1.1
169.03506	1.3
170.06627	11.3
171.01404	1.3
171.05058	2.1
172.95306	4.0
172.99336	9.2
173.01245	8.7
173.02959	100.0
173.06572	15.5
174.03140	2.4
175.04521	0.6
177.98132	0.7
178.02278	0.9
178.03481	1.5
178.04866	2.0
178.07111	1.0
178.08641	3.7
178.12296	1.6
179.03767	2.1
179.05469	0.6
183.05054	0.7
185.02950	1.4
187.04453	0.6
190.96301	1.5
191.00488	7.4
191.02206	2.7
191.03987	13.4
196.00967	1.2
196.02963	1.0
196.04576	8.3
197.03004	0.7
197.04822	0.7
197.06593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02376	2.1
53.03949	6.9
55.01862	4.5
55.05519	12.7
57.07066	1.4
65.03932	3.2
67.05515	7.9
69.06738	1.9
69.07078	25.7
70.59611	1.3
70.59937	2.7
71.01312	1.2
74.15996	1.1
77.03923	1.9
78.04716	2.5
79.05505	23.8
81.03423	6.6
81.07066	16.1
83.08629	12.6
87.34717	1.0
87.82674	1.1
89.03934	6.7
91.04913	1.5
91.05488	26.2
92.82770	1.1
93.07053	50.0
95.04969	5.7
95.08620	38.0
96.10400	1.1
97.10174	3.5
98.98486	9.4
103.05479	28.6
105.04504	3.0
105.07046	11.1
106.04179	14.0
107.04961	10.1
107.08606	69.0
108.08874	1.4
109.02894	63.5
109.06534	2.1
109.10172	13.8
117.03382	8.6
117.07000	2.4
117.50516	1.0
119.04980	1.2
119.08581	2.9
121.06517	22.5
121.10158	100.0
122.10487	1.0
131.04947	15.8
131.08551	1.5
133.02852	1.4
133.10219	2.1
134.03621	2.8
135.04466	2.4
135.10736	1.1
135.11707	16.4
145.02873	9.4
145.06528	1.3
147.04431	2.5
149.02367	1.9
149.05998	19.5
149.13293	5.7
159.04419	7.5
159.08086	1.3
159.11731	2.1
162.03156	1.9
177.05505	25.4
177.09090	9.4
177.12793	4.4
177.14844	2.6
177.16408	52.7
178.05954	1.1
185.82053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01862	1.8
55.05513	12.3
55.30167	0.8
57.07090	1.2
65.03941	2.1
66.16351	0.8
67.05511	10.7
69.07069	36.1
71.49507	0.8
72.48888	0.9
73.03549	0.8
77.03909	1.3
78.04724	1.4
79.05498	18.7
81.03407	1.4
81.07061	16.9
83.08620	16.0
89.03918	4.8
91.05485	17.8
93.07050	42.0
95.04944	3.8
95.08614	38.7
97.06539	0.8
97.10165	2.7
98.98466	19.1
103.05490	5.2
105.04539	0.9
105.07039	14.3
106.04189	5.9
107.04942	3.2
107.08598	93.0
108.08927	1.1
109.02876	2.6
109.06539	2.7
109.10162	12.2
117.03410	5.7
117.07029	4.6
119.06073	1.6
119.08571	4.3
121.02943	1.1
121.06538	5.0
121.10148	100.0
122.10493	1.1
129.07048	0.9
131.04915	1.7
131.08580	5.2
133.10129	6.0
134.03697	1.3
135.04439	1.3
135.08060	4.0
135.11696	20.6
145.02858	6.3
149.02377	2.2
149.06004	7.4
149.09671	1.4
149.13274	7.9
150.10524	0.9
159.04385	1.2
159.10515	0.8
159.11656	5.4
162.03093	1.2
177.05470	8.7
177.06844	1.0
177.09074	5.6
177.12776	20.0
177.16394	57.6
178.08633	0.7
178.16705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02377	1.3
53.03951	5.0
55.01871	3.3
55.05512	10.3
56.45790	0.5
57.07085	1.3
60.55585	0.6
63.02414	0.6
65.03942	3.9
67.05182	0.8
67.05511	8.4
68.99812	0.7
69.03419	1.0
69.07072	23.0
69.55679	4.0
71.01385	1.0
74.13824	0.5
76.05301	0.6
77.03939	2.0
78.04709	9.6
79.05499	24.8
81.03423	3.2
81.07057	19.6
81.07534	1.1
83.01346	1.1
83.05060	0.6
83.08622	11.5
89.03921	17.4
91.05482	33.6
93.03417	1.1
93.07047	43.4
94.07368	0.7
95.04988	6.9
95.08611	41.5
97.06560	1.1
97.10168	2.9
98.98469	13.3
103.05470	22.5
104.05778	0.8
105.03397	2.6
105.04530	2.6
105.07038	12.2
106.04177	40.3
106.06523	0.8
107.04984	6.2
107.08596	64.9
108.08102	2.0
108.08852	1.4
109.02885	17.8
109.03613	1.3
109.06528	2.3
109.10157	14.0
115.05460	2.3
115.31162	0.7
116.06258	0.8
117.03383	26.8
117.07010	5.7
119.04974	2.2
119.06023	0.7
119.08548	3.4
121.02841	1.4
121.06510	24.0
121.10146	100.0
122.06789	1.0
122.10474	1.2
123.04428	0.7
124.03970	1.3
131.04930	11.0
131.08588	4.0
133.06497	1.5
133.10159	3.2
134.03635	9.4
134.07292	0.7
135.04463	3.6
135.08090	1.9
135.10709	1.2
135.11708	15.1
145.02855	24.3
145.06502	2.2
145.72194	0.7
146.03595	1.2
147.04446	1.2
147.08125	0.6
149.02335	1.8
149.05988	36.7
149.09616	1.4
149.13286	7.0
150.06381	1.0
159.04358	3.4
159.08034	2.6
159.11691	3.7
162.03122	5.8
162.06772	2.1
163.03879	2.3
177.05475	35.9
177.09087	23.5
177.12772	9.8
177.16396	52.7
178.16675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.37194	0.7
53.03936	3.3
53.56487	0.8
55.01856	0.9
55.05509	11.9
57.07066	1.1
61.55167	0.7
65.03951	1.5
66.39792	0.7
67.05511	6.9
67.05855	1.3
69.07069	38.0
70.28514	2.5
70.28838	0.7
77.03920	0.9
78.04717	2.4
79.05492	18.8
81.06606	0.9
81.07058	15.8
83.08160	1.3
83.08620	18.9
89.03906	3.1
91.05482	20.0
93.07048	40.6
95.04961	2.3
95.08604	43.4
96.24690	0.9
97.10144	1.8
98.20933	1.2
98.98472	15.4
103.05463	3.7
105.07029	13.8
106.04179	7.7
107.04951	2.9
107.08593	100.0
108.08941	1.8
109.02865	1.7
109.06492	1.5
109.10159	14.4
117.03370	4.1
117.07018	3.5
119.08579	4.4
121.06528	5.3
121.10143	97.3
122.10434	1.0
123.11742	0.8
131.04892	2.4
131.08540	4.8
133.10147	3.6
134.03661	1.3
135.08012	3.2
135.10716	1.1
135.11699	18.8
145.02861	4.2
147.08049	1.0
147.11623	0.8
149.02380	1.4
149.05975	5.3
149.09636	0.8
149.13240	6.7
155.21144	0.8
159.08075	1.5
159.11705	2.8
163.07593	1.3
172.91599	0.9
177.05482	5.3
177.09105	6.2
177.12790	14.0
177.16385	57.6
178.05025	0.9
178.08595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	5.6
55.05515	18.5
55.61117	0.9
57.07071	2.2
60.57449	1.1
65.03915	1.3
67.05499	10.6
69.07072	39.4
69.33461	9.1
72.63895	0.9
79.05494	31.2
81.07059	82.7
82.07402	1.1
83.08622	15.8
87.57089	1.1
88.02203	2.6
89.03915	1.5
91.05486	13.8
91.09024	1.0
93.07048	56.6
94.95240	1.0
95.04976	2.4
95.08611	65.8
97.10188	7.3
98.98479	14.2
103.05460	2.4
105.04500	1.4
105.07022	9.5
107.08603	99.3
109.02905	1.2
109.06521	1.1
109.10161	19.9
117.03401	3.5
117.07052	2.0
119.08585	3.6
121.06527	2.4
121.10149	100.0
122.10516	2.0
131.08611	1.5
132.57889	1.2
133.10161	1.5
135.08087	1.2
135.11694	18.0
136.08641	1.6
145.02841	2.4
149.02336	2.3
149.05992	3.2
149.13284	6.8
159.11668	2.1
177.05461	3.3
177.09105	1.7
177.12830	8.1
177.16393	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03950	8.8
53.61521	1.4
54.71531	1.1
55.01863	5.3
55.05515	25.4
55.77588	1.1
57.03431	7.8
57.07066	4.3
65.03938	5.4
67.05510	19.7
69.03432	7.0
69.07071	36.6
69.30183	9.7
71.04998	6.8
77.03922	2.1
78.04681	2.9
79.05495	60.7
81.07063	44.1
83.04974	4.4
83.08627	10.3
89.03920	3.7
91.05485	55.6
92.05820	1.8
93.07050	100.0
94.07406	1.7
95.04982	12.7
95.08617	24.2
97.06539	3.9
98.20808	2.6
98.98467	17.6
103.05460	8.1
105.04508	3.8
105.07034	34.1
106.04190	7.6
107.04961	15.6
107.08601	74.8
108.08819	1.2
109.02856	7.9
109.06518	12.8
109.10148	4.4
115.05456	4.9
117.03351	5.5
117.06242	2.7
117.07026	35.4
119.06043	2.2
119.08588	17.6
121.06516	27.9
121.10152	36.7
122.07292	2.6
123.08056	3.3
129.06995	10.3
130.07790	8.3
131.04933	3.7
131.08575	38.1
133.06482	3.5
133.10124	13.2
134.03592	1.7
135.08060	15.7
135.11697	15.1
144.09346	13.7
145.02852	5.2
147.11707	2.4
148.08876	3.3
149.02364	2.1
149.05983	9.8
149.09630	3.8
149.13277	17.1
157.10144	2.0
159.11707	35.9
159.13043	1.7
177.05460	13.4
177.09135	5.8
177.12753	66.4
177.16331	12.6
178.13051	2.1
193.71629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02379	0.4
53.03956	4.6
55.01880	2.3
69.21852	2.7
71.01348	0.7
77.03931	1.4
77.50469	0.3
79.05501	5.2
81.03430	7.7
91.05492	6.9
93.07053	6.1
94.07404	0.3
95.04987	3.0
103.05478	15.0
105.04530	1.2
105.07044	1.0
107.04967	9.2
109.02892	100.0
110.03222	1.2
115.05479	0.3
119.04947	0.3
121.06524	8.9
125.02366	0.4
131.04045	0.3
131.04939	5.9
133.06497	0.4
135.04451	0.5
145.02884	0.3
147.04446	0.3
149.05997	6.4
149.07130	0.4
159.04442	2.5
159.05548	0.4
177.05475	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	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
50.01610	0.6
51.02377	1.3
52.21337	0.4
53.03715	0.6
53.03950	7.5
55.01876	4.1
57.14965	0.4
64.03168	0.4
65.03922	0.6
68.99778	0.5
69.78214	1.7
69.78627	0.8
71.01372	2.9
74.74381	0.5
77.03927	2.6
79.05494	22.6
81.03420	9.2
81.07075	0.8
89.03896	0.5
91.05485	14.0
93.06483	0.9
93.07047	12.0
95.04970	6.3
102.04716	0.7
103.05470	32.9
104.05774	0.5
105.03409	3.4
105.04512	2.5
105.07049	2.9
107.04961	16.7
109.02882	100.0
109.06515	1.1
110.03217	1.5
117.03439	0.5
119.04928	0.9
121.02922	0.5
121.06511	15.6
122.06808	0.6
123.04433	0.9
131.04932	16.3
133.02870	5.5
133.03842	0.9
133.06483	0.9
135.04439	2.7
147.04425	1.2
149.05980	13.6
159.04414	7.0
159.05545	0.8
177.05479	13.0
178.05804	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03937	0.8
55.01854	0.4
55.05507	0.3
65.03921	0.5
67.05495	0.5
68.54485	0.2
69.07043	0.8
71.01343	0.4
71.33542	0.3
74.09460	0.2
78.04703	0.6
79.05499	2.8
81.03452	0.5
81.07044	0.5
81.43962	0.2
83.08597	0.3
89.03909	0.6
91.05479	4.7
93.07050	2.0
95.04955	0.6
95.08615	1.3
98.98452	1.0
103.05476	2.5
105.07035	1.4
106.04159	1.4
106.07800	0.7
107.04955	1.4
107.08595	1.8
109.02888	5.4
109.06519	0.4
109.10126	0.3
111.52678	0.3
115.05470	4.2
116.06236	3.8
117.03397	1.2
117.07020	13.4
118.44870	0.2
119.04968	1.4
119.08596	0.3
120.05711	0.3
121.06497	3.9
121.10155	3.1
124.66293	0.2
126.05480	0.2
131.04913	1.3
131.08542	0.8
133.06499	3.3
134.03639	0.3
134.07286	3.6
135.08070	1.8
135.11691	0.8
137.72838	0.2
144.05693	2.4
145.02844	0.9
145.06509	2.2
146.07280	0.4
147.04420	1.0
147.08020	0.6
149.06010	2.4
149.09628	1.1
155.05992	0.3
159.04431	0.3
159.08075	0.4
159.11734	0.3
161.05936	1.5
162.06769	14.2
163.07100	0.2
163.48964	0.2
172.26721	0.2
174.53394	0.2
175.07564	0.5
177.05902	2.0
177.09106	100.0
177.16312	1.1
178.09431	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	2.6
55.01866	2.2
55.05508	2.5
57.27999	0.7
58.89542	0.6
63.02368	1.4
65.03941	0.7
66.28773	0.5
67.05510	7.3
69.03426	0.7
69.07077	3.5
77.03915	0.7
78.04713	3.9
79.05491	11.4
81.03408	2.5
81.07058	11.7
83.04984	1.1
83.08624	2.4
84.29979	0.6
89.03918	53.0
90.04227	1.3
91.05480	15.4
93.07043	18.9
95.04985	3.4
95.08604	5.6
97.06523	2.5
98.20858	2.2
98.21531	1.4
98.98466	12.2
103.05467	4.2
105.04514	1.5
105.06395	1.0
105.07032	7.7
106.04181	6.8
107.04954	3.5
107.08591	8.7
109.02881	1.8
109.06538	1.7
109.10141	0.9
111.08079	1.3
115.05432	0.8
117.03380	90.0
117.07024	6.6
118.03693	1.3
119.08579	2.8
121.02863	0.8
121.06516	4.3
121.10139	8.6
123.11605	0.5
129.06943	1.1
131.04948	1.1
131.08575	10.2
133.10123	9.0
134.03651	10.9
135.04433	6.7
135.08032	4.0
135.11673	3.2
140.78856	0.6
144.09293	1.2
145.02846	100.0
146.03218	1.7
149.02303	2.4
149.05984	30.1
149.09671	1.1
149.13237	4.7
150.06371	0.6
158.06032	1.7
159.11697	12.4
162.03102	4.3
163.03870	2.7
177.03909	1.1
177.05478	33.3
177.09164	2.1
177.12746	36.5
177.16248	3.1
178.05949	0.7
186.05446	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03952	3.3
55.01678	0.2
55.01886	1.8
55.02132	0.3
56.60614	0.2
60.65033	0.2
67.28191	0.2
69.11375	0.3
70.92636	0.4
70.93001	0.4
71.01371	0.3
77.03925	1.1
77.67602	0.2
79.05498	2.7
81.03427	7.6
82.63855	0.2
89.03915	0.8
91.05492	6.0
93.07053	5.0
95.04993	2.1
100.55727	0.3
102.04672	0.3
103.05480	9.8
105.03409	0.2
105.04526	0.8
105.07052	1.3
107.04958	2.0
109.02891	100.0
110.03230	1.3
117.03395	1.4
121.06522	6.5
131.04950	3.6
135.04417	0.7
145.02885	1.4
149.05994	4.9
159.04457	1.7
160.07631	0.3
162.03188	0.3
177.05490	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01883	1.4
60.21181	0.2
69.39110	2.1
71.01352	0.4
76.51218	0.3
77.03940	0.7
78.21070	0.3
79.05505	2.2
81.03423	7.5
86.34748	0.3
89.03940	0.6
91.05492	5.5
93.07053	5.4
95.04967	1.6
98.21531	0.5
103.05474	9.9
105.04537	1.1
105.07059	1.0
107.04974	2.0
109.02890	100.0
110.03230	1.4
115.05450	0.3
117.03381	1.0
119.04945	0.3
121.06521	6.8
121.07399	0.4
121.53262	0.2
131.04944	3.7
135.04446	0.6
145.02882	1.3
149.05998	3.8
151.83884	0.3
159.04411	1.7
160.07571	0.3
177.05501	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	177.0548
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02381	0.5
53.03751	0.3
53.03952	3.7
55.01871	2.3
57.29392	0.3
68.99779	0.3
71.01350	0.6
71.09661	0.6
74.63750	0.3
77.03928	1.1
78.04691	0.4
79.05492	4.3
80.47362	0.3
81.03424	8.3
83.01365	0.3
89.03909	1.2
91.05485	6.4
93.07050	6.1
95.04977	2.6
103.05470	14.5
105.04515	1.0
105.07031	1.1
106.04175	0.9
107.04961	8.6
109.02885	100.0
110.03191	1.6
117.03384	2.6
119.04996	0.4
121.06515	9.4
121.10083	0.3
131.04935	5.7
133.06529	0.3
134.03615	0.5
135.04439	1.2
145.02866	3.4
149.05995	7.2
159.04417	3.1
177.05473	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	177.0548
Annotation	Herniarin
Peak:m/z	Relative Intensity
50.21289	0.4
51.02386	0.7
53.03951	5.2
55.01876	2.7
65.03903	0.4
70.68345	1.2
71.01370	2.0
77.03934	1.7
79.05503	15.7
80.05813	0.5
81.03426	8.4
83.07135	0.4
91.05488	11.5
93.07050	9.7
95.04974	3.8
96.09523	0.4
98.98481	1.0
99.76106	0.4
103.05476	22.1
105.03414	1.8
105.04515	2.1
105.07035	2.4
106.04187	0.7
107.04230	0.5
107.04966	11.5
109.02892	100.0
110.03233	1.4
115.05450	0.5
117.03400	1.2
119.04922	0.6
121.06519	12.6
123.04376	0.4
131.04941	11.5
132.05733	0.4
133.02879	3.6
133.06578	0.5
134.03697	0.5
135.04422	1.7
145.02870	1.5
147.04440	1.1
149.04834	0.8
149.06009	11.6
159.04428	5.4
177.05492	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	177.0547
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02372	1.1
53.03945	8.9
55.01674	0.5
55.01875	5.4
65.03938	0.8
70.83231	0.5
70.83607	1.4
71.01360	3.7
77.03924	3.0
79.05494	25.4
81.03419	10.3
81.07065	0.7
83.01315	0.7
91.05480	17.1
93.07046	13.5
95.04971	5.5
103.05469	37.7
104.05824	0.7
105.03417	4.5
105.04501	4.0
105.07046	3.0
107.04959	18.5
109.02881	100.0
109.06526	1.6
110.03234	1.9
115.05454	0.7
119.04931	1.4
121.06507	19.9
131.04930	20.9
132.05728	0.5
133.02864	7.4
133.03882	1.1
133.06456	0.8
135.04410	3.5
145.83099	0.6
147.04430	2.2
149.05989	13.9
150.06345	0.6
151.03879	0.8
159.04431	8.3
159.05646	1.2
177.05466	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	176.02
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	4.1
53.03725	2.9
53.03951	46.3
53.69363	1.9
55.05516	19.3
58.99587	5.9
61.01155	37.7
62.99075	16.9
65.00645	14.9
65.03947	3.3
67.05486	5.1
68.05022	8.1
69.03421	8.8
69.05779	2.8
69.07056	6.3
69.82455	10.8
71.04988	6.4
71.99116	14.1
75.02715	3.6
76.27724	2.0
78.03453	19.9
79.05484	4.7
80.05022	2.5
81.07050	3.2
82.99566	6.8
84.00360	3.0
85.01136	66.9
87.02695	59.5
89.00607	4.2
89.04263	2.4
91.05476	4.4
93.07052	3.8
96.04497	88.5
96.08917	2.2
98.20809	2.3
98.98460	7.4
101.02998	4.7
101.04243	13.1
103.01530	3.9
103.02168	40.1
103.05495	3.8
104.02960	2.9
105.07054	3.6
106.07314	4.5
107.04964	5.7
109.02878	8.7
112.02196	100.0
113.03004	4.0
117.03716	17.4
119.08567	7.4
120.08929	12.8
133.10097	4.4
134.10457	14.1
134.16498	2.1
145.34581	2.0
149.05994	4.3
176.02013	76.3
176.15234	21.8
177.05458	3.9
193.02002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05520	8.8
57.07066	1.2
62.30224	0.8
67.05500	3.3
69.07074	22.2
69.83676	4.5
79.05489	4.2
79.99474	0.9
81.07056	8.5
83.08623	4.1
91.05485	13.2
93.07054	3.7
95.08617	6.7
97.40998	0.7
98.98479	4.4
103.05474	0.9
105.07040	29.0
107.08604	6.8
115.05474	4.0
117.07032	4.4
119.08590	98.7
121.10133	3.1
131.08559	4.9
132.09381	0.9
133.10139	84.1
134.10466	2.2
145.10118	7.5
146.10918	1.6
147.11717	13.0
160.05206	4.8
160.12468	3.9
173.13280	2.6
175.07576	8.6
175.14838	100.0
176.15207	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.05516	10.4
57.07056	1.2
61.01145	1.7
65.00633	1.3
65.03941	1.0
67.05505	3.8
69.03392	0.9
69.07072	20.0
71.04982	1.4
75.20779	0.7
78.03455	1.6
79.05496	5.5
81.06599	1.2
81.07058	19.2
83.08617	5.3
85.01130	3.9
87.02673	3.5
91.05486	19.6
92.05792	0.8
93.07063	5.6
95.08611	14.3
96.04499	5.4
98.21686	1.6
98.98470	20.7
101.04246	0.9
103.02156	3.0
103.05457	2.1
104.02905	1.1
104.06245	2.1
105.07036	42.0
107.04965	1.5
107.08585	8.6
112.02203	8.3
113.35966	0.8
115.05449	5.9
116.06214	0.8
117.03709	1.3
117.06992	6.1
119.04935	2.5
119.08584	99.8
120.08906	1.7
121.10110	2.4
121.87299	0.9
128.06212	0.9
129.07001	3.6
131.08556	6.5
131.74063	0.9
132.05724	2.9
132.09389	0.9
133.10135	92.2
134.10460	1.2
142.07826	1.1
145.10126	6.2
146.10863	2.4
147.04422	4.0
147.08052	3.6
147.11679	14.1
157.06522	1.3
160.05222	8.6
160.12453	4.2
173.13231	3.0
175.03931	2.8
175.07544	20.5
175.14833	100.0
176.01933	4.3
176.15167	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03942	1.3
55.01860	1.1
55.05511	9.8
65.03897	0.9
67.05505	3.7
69.03457	1.2
69.06731	1.2
69.07074	12.9
69.50055	2.3
69.50469	5.1
70.06595	2.7
79.05509	6.5
79.05899	1.3
81.07059	17.5
83.08602	2.3
91.05492	20.5
93.07051	11.4
95.08610	15.4
98.98476	68.2
103.05471	3.2
105.07043	54.9
107.04935	1.0
107.08602	11.2
115.05428	2.2
117.07027	4.6
119.04946	2.1
119.08591	80.7
120.08871	1.6
121.10159	2.3
129.07025	2.1
131.08595	10.5
132.09334	1.0
133.06517	1.6
133.10143	76.2
142.07762	2.7
145.10156	6.1
146.10921	2.5
147.04485	2.9
147.08067	2.0
147.11699	20.0
151.93832	1.9
157.04237	1.4
157.10109	2.3
160.05203	1.4
160.08932	1.5
160.12445	3.7
164.26108	1.2
166.70450	1.1
173.13347	1.8
175.03896	2.0
175.07535	3.6
175.11246	11.5
175.14839	100.0
176.15169	2.9
192.62358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.039
Annotation	Lawsone
Peak:m/z	Relative Intensity
53.00087	0.7
53.00309	8.6
53.03941	0.9
65.03625	0.7
65.03946	9.4
66.71359	0.6
70.83604	1.3
71.44391	0.4
77.03918	0.7
79.05507	0.6
85.03476	0.5
91.05484	62.2
92.05863	1.0
95.04967	1.1
97.43755	0.5
98.98475	2.0
103.05457	4.2
105.03423	1.2
112.74189	0.6
113.00555	0.4
119.04945	38.2
119.08546	0.8
120.28066	0.4
123.04427	1.8
129.40717	0.4
129.55775	0.4
131.04924	1.7
133.10164	0.9
136.99219	0.5
147.04411	100.0
148.04712	1.9
175.03908	16.0
175.07529	1.2
184.03395	0.5
189.71591	0.5
193.04965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01882	2.9
57.03440	6.1
58.99862	2.6
60.05657	2.6
61.02917	1.3
61.58661	0.6
67.00377	1.5
69.03437	2.6
69.23063	2.0
69.23490	2.9
70.06594	8.4
70.99841	2.6
71.35989	0.5
72.08141	1.2
73.02923	6.0
81.01932	0.5
81.03434	1.6
82.99836	5.2
83.99911	0.7
84.08143	1.6
84.99625	0.9
85.01412	27.1
85.02902	3.4
85.44337	0.5
87.04469	0.6
88.02718	0.7
91.17856	0.5
93.01936	0.7
93.52025	0.5
97.01396	2.2
97.02900	3.5
99.04464	1.1
101.00885	34.9
102.00971	2.7
102.02405	0.5
102.52498	0.5
103.00651	3.9
103.02451	34.0
104.02560	0.7
109.02856	0.7
111.02933	0.6
112.02792	0.8
113.00869	4.8
114.00986	1.3
115.00655	1.6
115.02437	15.5
116.02522	0.8
116.07110	2.3
119.01927	41.1
120.02020	3.0
121.01660	2.4
121.03480	8.2
123.53020	0.6
127.02425	6.9
128.02560	0.9
128.04019	0.7
130.09735	1.0
131.01898	7.4
132.02039	2.0
133.01717	3.7
133.03474	85.0
134.03586	2.7
137.02945	3.6
139.02428	1.0
142.03569	0.8
143.01900	2.2
144.02032	1.5
145.01637	1.8
145.03470	25.7
146.03632	1.7
147.03183	0.9
149.02965	0.7
151.04532	17.3
155.01906	1.3
156.02023	1.6
157.01648	1.7
157.03494	7.8
158.03609	2.3
158.09268	0.7
161.02963	1.4
162.03163	0.9
163.02742	1.7
163.04535	3.4
167.01889	0.9
168.01993	1.3
173.02936	1.7
174.03145	1.5
175.04532	100.0
175.11887	1.0
176.04675	3.3
185.02957	2.1
186.03157	2.7
187.02744	1.6
187.04425	0.6
193.05566	1.1
193.64130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0916
Annotation	Pyroquilon
Peak:m/z	Relative Intensity
50.20037	0.3
53.03936	0.4
55.01869	0.9
55.05516	1.8
55.93524	0.7
56.05053	0.4
56.05853	0.8
56.96571	3.2
57.03437	1.4
58.06607	0.4
59.04993	0.3
59.07385	0.6
60.04533	0.3
60.05660	0.5
61.02913	0.6
65.03944	0.4
66.47794	0.3
67.05505	0.9
68.05019	0.5
69.03434	2.1
69.07075	0.9
70.06591	1.9
70.95469	0.6
70.95867	10.9
70.98114	0.3
71.05295	0.7
72.93793	8.1
73.02934	0.5
73.93819	0.5
79.05475	0.5
81.03430	0.7
83.04992	1.3
84.04507	0.9
84.05333	0.5
84.08151	0.4
84.96030	0.3
85.01418	0.6
85.02905	1.4
86.06042	0.4
87.04467	0.6
88.96906	1.5
90.94827	2.8
91.05484	1.3
95.05045	0.4
97.02903	2.5
98.97621	2.6
98.98464	6.1
101.00887	2.4
103.02443	1.4
103.05474	1.0
109.02863	0.4
109.30764	0.3
110.01339	0.3
111.04456	1.1
111.98487	9.8
111.99270	0.7
112.02745	0.4
112.04784	0.6
112.07650	0.6
113.96420	1.1
114.04105	0.7
114.05532	0.9
114.94807	0.6
115.02448	0.8
115.03949	0.7
116.07096	0.6
116.98683	0.5
118.06552	0.7
119.01929	3.6
119.08576	0.4
120.02030	0.6
120.08119	1.3
121.01642	0.4
127.03935	0.7
128.07083	1.1
128.10745	0.4
129.05493	0.4
129.99535	3.0
130.06535	70.1
131.01923	0.7
131.06882	1.4
131.96169	1.6
131.97427	0.8
132.05089	0.8
132.08063	0.7
132.95839	26.3
133.03511	2.5
136.07539	0.5
137.02930	0.6
143.01884	0.6
145.03473	0.9
146.06012	1.4
147.04448	0.5
149.96135	0.7
149.97208	1.0
150.96896	22.6
151.04480	0.8
155.97427	7.4
156.05096	0.4
156.08208	0.7
157.03458	0.7
158.05038	0.6
158.99673	0.5
159.10399	0.5
162.05406	0.4
163.03995	0.5
169.03479	1.2
171.05136	0.5
173.98517	5.5
174.05721	5.0
174.09157	100.0
174.12784	4.1
174.14905	1.5
174.98921	0.3
175.04565	3.8
175.09497	2.5
178.12358	0.4
185.03021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.98441	0.8
53.03942	1.9
53.17936	1.0
55.01885	1.0
55.05497	1.5
56.05026	2.8
56.05839	1.6
57.03439	11.4
60.04531	42.6
61.02924	1.5
62.95375	1.0
68.05035	5.7
69.03436	13.7
69.07069	1.4
70.55217	1.1
70.55556	2.1
72.93738	1.1
81.07048	2.5
82.06620	0.9
83.04984	0.9
84.04511	34.4
84.05276	1.4
85.02905	11.5
86.06065	2.4
87.04502	1.3
91.05499	5.3
93.07062	1.6
95.05020	1.2
96.04506	14.4
97.02901	100.0
98.98473	17.7
100.04048	1.1
102.05551	8.2
102.06252	1.1
105.07034	4.3
107.08594	1.2
111.04465	0.9
112.04806	2.4
114.05544	35.2
115.03928	6.9
115.05440	4.2
116.05800	2.2
117.07075	1.8
118.06585	2.1
118.07378	2.2
119.04958	1.3
119.08586	7.1
120.29665	1.0
124.49670	0.9
128.05031	1.6
128.06194	0.8
128.07088	2.1
129.07047	1.2
129.34869	0.9
130.04927	1.0
131.04913	2.4
131.08549	1.3
132.05696	1.7
132.06592	2.6
132.08066	1.4
132.08954	2.0
132.95815	2.0
133.06509	1.0
133.10126	6.3
138.05515	1.9
144.05650	1.0
145.06482	1.6
145.10231	0.9
146.05992	3.3
146.06976	1.3
146.10461	1.7
147.04457	1.2
147.08080	2.4
147.11749	1.5
150.96890	2.2
156.06439	1.4
160.05214	6.4
170.31512	0.9
174.02708	13.7
174.05402	1.9
174.07658	69.5
174.12794	4.6
174.13768	2.7
175.03983	1.6
175.07571	13.2
175.11121	1.7
175.14862	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	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.02693	0.8
55.05280	0.9
55.05518	14.4
57.03418	1.0
58.17901	0.7
58.39080	0.9
58.92839	0.8
59.04990	3.0
67.05498	2.2
69.03418	1.7
70.01946	0.9
71.48607	1.1
72.93783	5.6
77.03916	1.2
79.05483	2.4
81.07063	5.9
81.38103	0.8
83.04989	17.2
87.04494	1.1
89.02403	1.3
90.94824	3.3
91.05487	13.5
93.07029	1.3
97.02845	0.8
99.04459	1.7
101.06016	12.1
102.04688	1.3
103.03283	1.3
103.05471	3.4
105.07037	18.6
106.07388	0.8
111.03724	1.5
111.04452	21.1
113.06000	2.3
114.05583	1.0
115.05467	17.7
116.06232	2.8
117.07030	14.3
118.07367	0.9
119.08601	12.8
127.05469	1.6
127.07560	2.5
128.06233	2.6
129.05511	4.1
129.07011	10.4
130.04088	1.7
130.07788	3.2
131.08583	91.6
132.08934	1.4
133.10164	2.5
143.07729	0.6
143.08578	21.9
144.09334	7.6
145.06502	12.2
145.10141	29.7
149.96162	1.7
155.06003	4.3
155.07056	12.1
155.08539	1.5
156.09328	2.0
158.07353	1.3
158.10936	32.5
167.97052	1.4
171.11667	1.8
173.02402	8.0
173.04581	1.7
173.05963	13.0
173.08197	16.2
173.09698	5.9
173.13280	100.0
174.13649	1.8
175.45860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02372	1.0
53.03941	1.1
55.05518	8.4
57.07069	0.9
59.04996	1.5
61.99496	0.7
65.03928	0.9
67.05506	4.2
70.10088	3.7
72.93785	2.4
76.02242	1.0
79.05493	5.7
81.07059	4.1
83.04985	7.8
90.94843	1.9
91.05486	21.1
93.07037	3.3
95.05028	0.8
95.08611	1.7
99.60313	0.8
101.06017	6.7
102.04652	0.8
103.03294	1.2
103.05473	2.8
105.07043	17.8
107.08582	0.8
111.04459	11.1
113.06021	0.7
115.05464	11.0
116.06258	4.8
117.07033	12.7
117.10687	0.8
119.08587	19.3
127.07525	1.9
128.06232	7.4
129.05511	1.6
129.07021	20.4
130.07809	6.7
131.08580	72.4
132.08871	1.8
132.95807	1.0
133.10106	5.3
137.13193	0.8
142.07799	2.7
143.08569	45.6
144.09358	9.0
145.06519	4.9
145.10135	31.0
155.04967	1.1
155.05994	2.4
155.07050	6.6
155.08347	1.1
156.09386	1.5
157.10129	2.2
158.07312	2.2
158.10922	39.5
171.11688	2.5
173.02353	2.4
173.04579	0.8
173.05989	14.5
173.08258	9.6
173.09779	2.3
173.13274	100.0
174.13632	2.6
178.41505	0.7
180.25545	0.7
183.46460	0.7
194.02583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03940	0.9
55.01886	0.5
55.05516	11.1
57.07081	2.1
58.07422	0.5
59.05005	1.7
65.03948	0.8
67.05515	2.8
68.00727	0.4
69.03420	1.0
71.05000	0.6
71.06157	0.7
71.49312	0.5
72.93788	4.7
73.98463	0.4
74.06081	0.6
75.06416	0.7
76.02234	1.2
79.05495	2.6
81.03413	2.6
81.07061	2.2
83.04984	10.2
85.02912	0.7
85.09200	0.4
87.04485	0.7
88.07630	2.7
89.02386	1.0
89.07974	1.8
90.90398	1.9
90.94823	3.6
91.05483	11.3
93.07073	0.8
95.08558	0.5
99.04462	0.9
101.06025	7.3
101.06630	0.8
102.09150	0.7
103.03301	2.9
103.05469	0.9
103.09550	1.1
105.07034	11.6
108.95813	0.7
111.04449	13.2
113.06012	1.1
113.96437	0.5
115.05444	2.8
116.06229	2.9
117.07029	8.6
119.08585	12.9
127.07595	1.6
128.06219	2.5
128.07054	0.5
129.05536	3.0
129.07010	10.1
130.07794	4.0
131.08574	81.7
132.08928	1.6
133.10124	2.6
142.07756	1.5
143.08565	25.9
144.08218	0.5
144.09348	8.0
145.06447	1.4
145.10132	29.2
145.28250	0.4
146.06067	0.6
146.10417	1.1
149.94055	1.4
149.96132	1.4
155.05946	0.8
155.07074	8.0
155.08493	1.4
156.09351	1.2
157.10136	1.2
158.07333	2.2
158.10922	37.1
159.11635	1.8
167.97192	1.0
171.11743	2.6
173.02332	1.1
173.04733	2.4
173.05922	0.9
173.08252	11.1
173.09689	6.3
173.13268	100.0
173.17303	11.4
174.10031	0.5
174.13783	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	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05513	13.9
57.07067	1.1
59.04991	1.9
61.74096	0.9
63.08343	0.9
63.69453	0.9
65.03940	1.1
67.05495	4.1
69.07066	1.1
69.29661	8.6
72.93799	2.1
79.05487	3.6
81.07052	4.4
83.04994	9.6
90.94816	1.2
91.05482	23.9
93.07040	3.5
95.08594	1.8
101.06007	5.9
103.05474	1.4
105.07045	18.7
107.72925	1.1
111.04446	13.2
113.05963	1.9
115.05473	11.6
116.06254	5.0
117.07026	10.8
119.08590	22.1
127.05436	1.8
127.07516	1.2
128.06195	5.9
129.05515	2.4
129.07019	17.2
130.07799	6.9
131.08574	77.0
132.08861	1.3
133.10133	4.8
141.06938	2.3
142.07800	2.5
143.08572	41.6
144.09369	11.2
145.06526	4.5
145.07567	1.1
145.10135	33.5
155.06015	3.0
155.07104	6.3
156.09406	1.5
157.55498	1.1
158.07285	1.3
158.10928	38.7
171.11757	3.6
173.02342	2.2
173.05997	14.4
173.08223	9.4
173.09770	2.4
173.13274	100.0
174.13666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03940	1.2
55.05516	27.9
55.18531	0.7
57.03447	1.1
59.05005	4.0
59.52096	0.7
63.67210	0.7
66.14767	0.6
67.05510	4.3
69.58131	2.7
69.58547	1.5
70.95862	2.8
72.93794	11.0
73.02896	0.8
76.02255	0.8
79.05485	2.2
81.03391	2.0
81.07051	3.5
83.04495	1.3
83.04993	26.1
85.06546	1.1
87.04461	3.0
89.02375	1.4
90.90382	1.0
90.94837	7.3
91.05496	9.9
93.07053	2.1
98.20791	1.5
99.04431	2.1
101.06026	20.1
103.03282	2.3
105.07050	10.0
108.95889	0.8
111.04449	31.9
111.98494	1.6
113.06017	3.6
113.96404	1.2
115.05474	3.0
116.06219	2.2
116.07014	0.8
117.07034	6.7
119.07805	1.3
119.08597	14.6
127.03893	0.7
127.07595	3.8
128.06221	1.6
129.05525	6.8
129.07010	10.6
130.06497	1.8
130.07802	3.3
131.08578	67.6
131.96147	2.6
131.97363	0.7
132.08960	0.9
132.95842	4.0
133.10120	4.5
142.07835	1.1
143.08582	25.0
144.09360	8.0
145.06508	3.2
145.10141	25.9
146.06007	0.9
149.96091	3.2
149.97206	2.1
150.96867	4.1
155.03383	0.9
155.07053	19.7
155.97455	1.5
156.09381	1.8
157.10083	1.6
158.06226	0.9
158.10930	36.3
167.97218	1.7
171.11710	2.2
173.04468	2.8
173.05896	1.8
173.08157	26.0
173.13280	100.0
173.98515	1.2
174.09106	1.4
174.13705	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03947	1.7
55.01841	0.8
55.05514	10.8
56.81643	0.6
57.07072	2.4
59.04996	1.6
61.83627	0.8
65.03968	0.8
67.05506	4.1
69.03465	0.8
71.50193	1.1
72.79183	0.6
72.93800	3.1
76.02241	1.5
76.92502	0.6
79.05494	4.1
80.59778	0.7
81.03416	1.3
81.07049	3.5
83.04980	11.0
89.02405	1.0
90.90396	1.3
90.94831	2.1
91.05482	17.6
93.07054	2.1
95.08635	0.8
101.06013	7.5
103.03280	3.9
103.05505	0.7
105.07033	14.6
107.08652	0.9
111.04447	12.0
113.06008	0.9
113.47871	0.6
113.96429	1.4
115.05463	4.7
116.06237	3.0
117.07030	19.0
119.08580	10.4
127.07569	1.2
128.06259	1.7
129.05460	2.0
129.07014	10.5
130.07777	5.2
131.08572	100.0
132.09003	1.0
133.10126	1.6
142.07722	0.9
143.08572	15.1
144.09384	7.3
145.06499	2.2
145.10132	33.2
149.94064	0.8
155.06004	1.2
155.07074	7.4
155.08363	1.3
156.09372	1.3
158.07315	2.1
158.10921	19.5
167.97191	1.1
171.11687	2.0
173.04497	2.0
173.05966	1.5
173.08307	12.4
173.09966	4.4
173.13268	94.4
174.12675	1.5
174.13811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Isoboonein
Peak:m/z	Relative Intensity
50.24050	0.6
53.03935	2.1
55.01862	1.0
55.05270	0.7
55.05514	8.0
57.03448	2.6
64.41336	0.5
65.03942	1.2
67.05509	4.7
69.03415	1.1
69.07065	1.6
71.04986	5.0
72.04520	3.4
79.05497	3.5
79.98040	0.5
81.03424	9.2
81.07057	7.9
81.90401	0.5
83.04984	2.3
83.08632	5.3
85.06544	10.9
86.48025	0.5
89.07162	1.7
91.05476	2.2
93.07059	6.6
95.04959	1.4
95.08600	1.8
97.02902	0.6
97.06495	0.9
99.04448	3.8
99.08098	0.9
107.01324	2.9
107.08606	9.1
109.02887	4.9
109.06503	2.6
111.04459	3.4
111.08089	100.0
112.08406	1.6
115.05383	0.5
123.08070	1.0
123.24794	0.5
125.02355	2.7
125.06006	0.8
125.09636	6.4
127.03918	4.0
127.07568	2.8
129.05440	0.7
135.00815	0.7
135.08086	1.6
139.03909	2.0
141.09160	0.5
143.08607	0.9
153.01848	4.7
153.09116	11.6
156.09402	2.3
171.02957	1.1
171.10222	9.6
171.11679	1.4
171.14977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03482	1.6
55.01879	0.3
55.05518	2.3
57.07065	0.4
65.03936	0.3
67.05508	0.4
69.03415	0.2
69.07069	0.4
69.22933	1.9
72.04525	4.6
79.01828	0.3
79.05482	0.7
81.03432	2.2
81.07057	0.4
83.05013	0.4
83.08630	1.4
89.07159	2.9
91.05491	0.4
91.42419	0.2
93.07079	0.2
96.42370	0.2
97.02911	0.3
97.10199	0.3
100.93088	0.2
102.88013	0.2
103.05475	0.3
105.07121	0.3
107.01323	2.5
107.08616	0.2
109.02873	3.1
111.04463	0.8
111.08106	0.4
115.05496	0.5
117.07015	0.7
118.06555	6.7
125.02348	1.5
125.06001	0.3
127.03925	2.6
128.04973	0.3
128.06236	1.3
129.06975	0.9
130.06548	2.4
135.00787	0.4
139.03915	0.6
141.06984	0.8
142.07785	0.4
143.07335	0.8
143.08574	1.7
144.08096	15.1
145.08434	0.4
146.06023	1.2
153.01846	2.5
154.06537	18.4
155.06920	0.7
156.06812	2.3
156.09366	2.8
169.07591	1.2
170.08405	0.3
171.02870	0.8
171.09187	100.0
171.11650	3.4
171.14864	2.2
172.09554	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	169.0497
Annotation	3-Hydroxymandelic acid
Peak:m/z	Relative Intensity
50.02887	0.5
50.16146	0.6
51.02386	1.2
53.03714	0.6
53.03951	8.6
53.61158	0.5
55.01868	2.1
55.05500	1.6
62.71191	0.6
65.03951	6.7
67.05510	51.7
69.03442	4.1
71.04995	0.7
77.03937	3.4
79.05499	28.6
81.03432	4.6
81.07066	10.0
82.19449	0.6
83.04995	3.6
91.05466	2.1
93.03394	0.6
93.07050	2.2
95.04976	51.5
95.08614	9.3
96.05350	0.7
97.02888	2.1
97.06516	1.3
98.20772	1.6
99.00822	0.8
103.05433	0.8
105.03397	5.5
105.04512	3.6
105.07044	8.9
107.04965	16.7
107.08614	0.8
109.02885	2.1
109.05804	1.0
109.06527	14.1
111.04452	2.8
112.13991	0.6
121.06519	1.3
123.04436	44.6
123.08061	2.9
123.11714	1.3
124.04697	0.6
125.00935	0.5
125.02360	7.0
125.05979	1.4
126.03165	1.8
127.03911	1.9
133.02841	1.6
133.06490	2.2
133.10165	0.8
141.05502	3.5
151.03914	57.8
151.07533	11.0
151.11230	0.9
152.04301	1.1
154.02612	1.7
169.04976	100.0
169.08705	2.8
170.05322	2.1
179.20418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.65133	0.4
53.03946	1.0
55.01873	3.9
55.05516	3.5
56.96579	0.5
65.03945	29.7
67.05513	2.3
68.99442	0.7
68.99793	8.9
69.03425	2.8
70.88113	1.0
71.04991	0.7
72.04513	1.7
79.01854	1.4
79.22635	0.4
81.03427	9.6
83.04993	11.7
84.93365	0.4
89.07161	1.1
93.03413	14.0
96.02135	2.6
97.02899	1.9
98.06060	0.6
107.01319	5.6
107.08606	0.7
109.02895	7.0
109.06507	0.5
111.04450	82.2
111.08068	3.8
112.04759	1.0
121.02869	1.7
121.04000	10.5
125.02361	4.5
127.03930	6.5
128.04286	1.2
135.00809	1.1
139.03915	100.0
139.22224	0.4
140.04262	1.5
149.73563	0.5
153.01843	6.0
153.09055	0.8
156.03755	0.9
171.02936	2.2
171.06488	5.3
171.10249	0.6
171.14969	0.9
193.35045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	1.3
69.83631	2.1
69.84016	2.1
79.07395	0.9
81.03412	1.3
81.22958	0.8
82.01470	1.0
84.99606	6.7
85.97297	13.0
85.99928	3.1
86.08011	1.0
86.99332	1.3
100.02489	2.7
101.00912	1.0
102.00971	1.3
102.02222	1.9
103.00645	52.7
103.01273	1.9
103.98333	52.5
104.00929	20.2
104.01982	1.0
104.98414	1.6
109.02862	1.2
113.00868	1.0
113.97882	1.1
115.01172	2.2
115.02399	2.3
117.02119	1.3
119.01906	1.7
120.02026	1.7
120.59683	0.8
121.01674	96.7
121.02337	3.5
121.99376	86.4
122.01968	41.0
122.99469	2.6
126.02209	4.6
126.99911	7.2
127.02457	10.1
131.01935	1.2
132.02110	1.2
133.03426	1.4
139.02701	17.4
139.99371	1.6
140.00412	26.1
140.03017	6.1
144.03232	32.1
144.04950	1.5
144.53029	1.5
145.00955	100.0
145.03571	70.0
146.01050	2.5
150.03998	1.1
162.04311	5.9
163.01982	56.7
163.04668	13.1
164.02222	1.3
168.02512	1.4
168.05075	5.3
168.06406	0.9
168.10162	1.2
186.03137	1.7
186.06168	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
53.84726	0.9
55.01859	1.6
55.05519	8.0
57.03427	3.0
57.07071	2.5
65.03929	3.1
66.04729	1.2
67.05513	19.3
69.03419	1.4
69.07074	13.1
69.62663	6.1
71.04980	2.1
77.03921	1.2
78.04714	19.2
79.05496	22.8
79.21735	0.9
81.03420	2.1
81.06599	1.3
81.07063	19.8
82.65005	0.9
83.04964	2.1
83.08611	5.2
85.06498	1.1
91.05484	13.7
93.07047	33.2
94.04195	1.1
95.04968	20.4
95.08611	12.4
97.06537	15.9
97.10156	1.4
98.20762	1.6
105.03445	1.2
105.04516	1.5
105.07041	9.0
106.04199	7.4
107.04973	12.6
107.08601	89.7
108.08911	1.1
109.02893	2.9
109.06537	2.3
109.10162	52.5
109.58387	0.9
110.10471	1.1
111.08083	10.5
119.06091	1.6
119.08614	1.5
121.02907	2.4
121.06515	3.6
121.10152	49.8
122.03654	1.9
123.04439	37.1
123.08109	1.7
123.11692	6.2
124.05238	9.0
125.06013	2.1
129.28976	0.9
134.03685	1.2
135.04417	1.6
137.05968	1.8
139.07532	2.8
149.02350	2.6
149.06004	3.3
149.09550	2.3
149.13275	21.8
151.03879	4.5
152.04718	7.6
167.03354	2.8
167.07053	100.0
167.10721	3.6
167.14308	9.7
168.07368	3.2
173.95210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.04763	0.7
53.03953	6.6
53.73620	0.6
55.01867	2.6
55.05489	0.8
65.03951	0.8
67.05501	3.3
68.99755	0.8
69.03422	1.7
71.12279	1.5
76.32662	0.7
77.03932	2.2
78.04713	5.1
79.05499	26.2
79.96820	0.7
81.03418	1.7
81.07051	3.5
91.05489	16.4
93.07050	20.7
94.04214	0.9
95.04381	1.6
95.04979	31.6
97.06559	5.3
102.44241	0.7
103.05508	1.4
105.03403	1.2
105.04497	2.0
107.04961	13.9
107.08566	0.9
121.02863	1.5
121.06513	14.7
123.04439	21.0
123.08076	0.7
124.05225	1.5
125.05978	3.9
139.03883	2.0
139.07530	1.8
149.05984	11.1
151.03911	1.4
152.04691	1.1
167.07057	100.0
168.07367	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03949	2.6
54.35368	0.4
55.01867	0.6
55.05498	1.1
57.46985	0.4
65.03923	1.1
66.04706	1.3
67.05526	2.5
69.90886	1.6
77.03937	1.3
78.04284	1.0
78.04712	16.6
79.05492	13.6
81.03400	1.0
81.07066	2.2
91.05463	3.0
93.03383	0.8
93.07042	4.3
94.04189	1.0
95.04971	19.6
96.05766	0.7
97.06527	3.0
98.21494	0.8
103.00594	0.6
103.05446	1.0
105.03371	1.6
105.04519	0.9
105.07055	0.8
106.04169	7.4
107.04958	8.7
107.08575	1.9
109.02886	1.8
109.06514	1.6
111.08057	0.7
115.41827	0.5
121.01743	0.4
121.02838	1.6
121.06513	2.8
121.10135	0.7
122.03656	1.7
123.04431	36.3
123.08060	0.5
124.05233	7.0
125.06021	2.2
134.03627	1.5
135.04428	1.2
137.02248	0.5
137.05931	1.5
139.03967	0.6
139.07530	1.2
143.80183	0.5
149.02351	1.2
149.05956	1.9
149.09605	0.6
151.03908	5.5
152.04697	6.4
154.75703	0.5
167.07043	100.0
168.07396	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.87613	0.4
55.01881	1.9
55.05529	1.0
56.96574	1.9
57.03437	3.1
58.99613	0.9
58.99865	3.8
61.01152	1.4
61.02934	1.9
63.30905	0.5
65.03946	0.5
67.05521	2.2
68.98302	2.2
69.03430	5.0
69.07079	0.8
69.98359	0.5
70.33653	1.3
70.99865	3.7
72.99631	0.9
73.02932	2.5
75.01929	0.6
77.00923	2.2
79.05495	9.6
81.03416	3.6
81.07050	1.1
82.01459	2.6
82.99844	3.1
83.05000	1.5
83.99915	0.7
84.01208	1.2
84.99600	6.5
85.01428	1.0
85.02892	3.5
86.99335	2.1
87.02695	1.0
88.02689	0.9
89.00905	1.6
91.05498	1.4
93.01907	1.1
93.07034	2.6
94.02664	0.7
94.99820	2.6
95.04974	18.6
97.01402	2.8
97.02890	3.3
97.06535	3.0
98.01495	0.9
98.97570	0.5
99.01142	0.6
99.04514	0.5
100.02488	6.5
101.00886	26.1
101.02565	0.9
102.00966	3.3
102.02324	2.0
103.00645	54.0
103.01279	2.9
103.02469	1.7
103.05455	0.9
103.98327	0.6
105.00360	1.5
105.03730	3.5
105.04411	0.8
107.04962	15.9
108.02430	0.7
109.02898	1.4
110.97548	0.5
111.02943	1.6
111.04504	0.7
112.07605	0.7
113.00871	30.2
113.02361	1.5
114.01007	1.5
115.02441	6.8
116.02582	4.1
117.02158	1.2
117.04005	1.0
118.01110	0.5
118.02787	0.6
118.03535	2.0
118.04254	0.7
119.01928	36.4
120.02013	7.3
120.03349	1.1
121.01672	100.0
121.06507	2.6
121.99436	0.7
123.02110	0.7
123.04433	7.8
124.02477	0.6
125.00880	0.9
125.02576	0.7
125.06007	3.6
126.02229	8.6
126.98756	1.5
127.02435	5.0
129.00307	0.5
129.02106	0.5
129.04008	1.4
131.01912	74.4
132.02007	2.6
133.01585	0.7
133.02559	0.5
133.03456	2.5
134.03600	2.1
135.03172	1.3
136.05154	0.6
137.02946	3.2
138.03084	1.2
139.02692	18.7
141.04002	1.0
142.03439	0.7
143.01929	7.2
143.03018	0.6
143.03604	2.4
143.53168	2.4
143.96135	0.5
144.03242	71.3
144.99861	3.9
145.01715	1.0
145.03476	20.4
147.01414	1.2
147.05035	1.2
149.00954	0.6
149.02995	6.2
150.00346	0.6
150.04063	0.6
153.02191	0.6
154.03516	1.3
155.01886	1.9
157.03470	11.2
157.04759	0.6
158.03590	1.1
159.01408	0.9
159.05077	0.9
161.01627	0.6
161.02948	6.3
161.04697	0.9
162.03058	8.4
162.04318	11.0
163.00906	2.9
163.02687	1.1
163.04550	2.2
167.01895	5.4
167.03415	1.5
167.07021	3.6
168.01463	0.7
168.05063	2.6
169.03505	0.5
171.01385	0.8
171.05002	1.5
173.02919	1.4
175.04497	1.4
177.02435	0.7
180.04094	1.0
185.02977	18.7
185.04659	1.4
185.06358	0.7
186.03084	1.3
186.06000	0.6
188.07623	0.7
189.02438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02378	1.6
53.00316	0.5
53.03953	8.8
55.01873	0.8
65.03945	2.6
66.04732	4.4
67.05474	0.6
70.99781	0.8
71.00121	0.6
74.45348	0.4
77.03940	6.3
77.17567	0.5
78.04709	0.9
79.05499	18.3
81.03411	1.7
81.07072	5.7
91.05492	10.7
94.04202	10.6
95.04980	6.6
95.68980	0.5
100.94898	0.4
105.03406	9.3
105.04489	3.1
105.07028	1.3
107.04974	4.4
109.06532	11.8
119.04899	0.7
121.02894	2.4
122.03664	7.8
123.04446	0.9
133.02867	9.0
133.05579	0.6
135.04422	9.1
137.05989	13.1
147.04460	1.1
149.02347	10.7
150.03163	3.5
163.03931	1.4
165.05496	100.0
166.05836	2.6
169.34061	0.5
181.04991	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03947	0.2
56.96581	0.2
70.47477	0.6
75.75260	0.2
79.05507	1.7
84.30540	0.2
91.05489	0.8
93.07050	2.2
95.04990	0.6
102.00961	0.5
103.05476	10.5
107.04967	2.2
119.01948	0.3
120.02052	0.5
120.08117	100.0
121.01676	0.2
121.08450	2.1
122.58402	0.2
125.02611	0.3
131.04939	2.5
143.03613	0.5
144.03230	0.2
144.45114	0.2
149.05995	0.6
166.05905	0.2
166.08669	1.3
172.51791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02375	1.9
53.00290	0.6
53.03716	0.5
53.03947	8.2
55.01868	1.4
65.03944	2.5
66.04729	4.9
70.00269	2.1
77.03934	5.5
78.04716	0.9
79.05495	18.6
81.03419	1.3
81.07059	5.3
91.05488	10.2
93.07050	0.7
94.03609	0.8
94.04188	10.8
95.04971	6.9
105.02731	0.8
105.03401	9.3
105.04502	4.1
105.07037	1.7
107.04965	4.2
109.06520	12.7
119.04941	1.5
121.02863	1.9
122.03650	7.0
133.02853	6.8
135.04428	9.0
137.05974	13.3
149.02350	9.9
150.03171	2.6
163.03905	1.0
164.13631	0.4
165.05481	100.0
166.05800	2.3
181.04961	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02379	1.8
53.03757	0.7
53.03952	9.6
55.01861	1.9
55.05504	0.8
65.03954	4.0
66.04741	5.3
67.01888	0.8
67.05499	2.2
69.03439	0.8
69.57780	0.8
69.75980	3.8
77.03928	6.3
78.04724	0.9
79.05504	23.8
79.69597	0.8
81.03434	1.9
81.07075	7.3
91.05492	34.2
93.07055	2.6
93.87799	0.7
94.04197	8.1
95.04990	9.6
95.08649	0.8
98.20861	1.4
101.00875	1.8
103.05466	2.1
105.03410	10.8
105.04528	3.4
105.07041	16.0
107.04972	3.8
107.08610	0.9
109.06535	12.1
109.10159	1.0
119.01955	1.8
119.04955	41.2
119.08584	2.0
121.02853	2.0
121.06510	1.0
122.03672	8.0
123.04449	2.6
123.08094	1.9
133.02888	12.4
133.03874	1.7
133.05649	0.9
133.06480	4.6
135.04456	8.1
137.04982	0.8
137.05989	21.2
142.03510	3.0
143.26979	0.7
147.04427	77.5
148.04730	1.7
149.02318	3.1
150.03178	1.3
164.42752	0.7
165.05498	100.0
165.09164	3.4
165.12831	1.5
166.05809	1.9
181.04993	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02368	1.4
53.03952	12.4
55.01857	1.2
59.91104	1.0
61.34508	0.8
61.93037	0.9
65.03920	2.7
66.04724	6.3
67.05492	0.9
70.83719	2.5
77.03924	7.1
78.12692	0.9
79.05495	22.6
81.03416	1.6
81.06563	0.9
81.07053	6.1
83.53119	0.9
84.61024	1.0
91.05489	22.6
93.07040	3.2
94.04192	11.2
95.04977	10.0
105.03392	14.2
105.04499	5.5
105.07048	6.2
107.04929	5.1
109.06525	16.5
113.94699	1.0
119.04939	2.1
121.02881	3.4
121.06496	1.9
122.03645	9.1
133.02853	13.7
133.06487	1.4
135.04405	8.8
137.05986	17.9
138.06415	0.9
142.03426	0.9
147.04420	2.4
149.02353	10.2
150.03104	2.4
165.05484	100.0
166.05864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01883	0.4
55.05511	0.4
65.03931	1.4
67.05509	1.5
71.49223	0.3
74.81896	0.3
79.05498	1.2
81.03421	0.7
81.07064	1.6
83.04987	0.6
83.93039	0.7
91.05488	28.3
92.05798	0.6
93.07027	1.4
95.04976	5.4
95.08616	1.0
99.87913	0.3
101.00895	2.2
103.05470	0.4
105.04487	0.3
105.07058	1.1
107.08627	0.6
109.06516	1.5
109.10155	1.0
119.01944	6.4
119.04951	51.5
119.08591	1.9
120.05300	0.9
120.08154	0.3
121.10104	0.4
122.07234	0.3
123.04449	4.2
123.08073	0.7
123.11729	0.3
124.02464	0.4
133.02820	0.3
137.03000	1.4
137.06012	1.2
137.09650	1.0
142.03520	4.0
142.96719	1.4
147.04420	100.0
147.11739	1.3
148.04799	1.7
160.04604	1.0
165.05443	2.1
165.06831	0.5
165.09137	2.0
165.12740	3.3
165.98244	0.4
166.08679	0.4
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	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02377	1.7
53.03950	12.5
55.01862	1.4
65.03941	2.1
66.04733	5.5
67.05480	1.2
69.28062	2.1
69.28473	5.1
75.00891	0.7
77.03566	1.0
77.03929	7.4
78.04704	1.3
79.05495	23.0
81.03422	1.9
81.07063	7.4
91.05486	22.1
91.63976	0.8
93.07042	3.5
94.04193	11.7
95.04971	11.2
98.21472	1.6
98.74916	0.8
101.00869	0.9
103.05479	0.9
105.03398	15.3
105.04478	5.3
105.07040	8.2
107.04963	6.5
107.91265	0.8
109.06525	14.9
119.01984	1.8
119.04933	3.6
119.08566	0.9
121.02881	2.7
121.06525	3.6
122.03648	6.8
133.02878	15.3
133.03871	1.8
133.06529	1.8
135.04419	10.8
137.05974	19.4
137.06967	1.6
142.03500	1.5
147.04434	4.4
147.56911	0.9
149.02364	9.2
150.03133	2.2
165.05487	100.0
166.05835	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	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.32109	0.3
55.05513	0.4
65.03938	2.0
67.05499	1.2
68.81955	0.3
69.07082	0.4
71.49790	0.7
77.03966	0.3
79.05488	1.3
81.03427	0.6
81.07060	1.8
83.04967	0.4
83.70742	0.3
83.93049	0.6
91.05481	27.3
92.05817	0.4
93.07046	0.8
95.04958	4.5
95.08612	1.1
100.58105	0.4
101.00887	1.8
103.05498	0.6
105.07017	1.0
107.08604	0.7
109.06519	1.5
109.10174	0.9
119.01948	4.1
119.04942	52.0
119.08611	1.6
120.05246	0.7
120.08104	0.4
121.06497	0.5
123.04427	3.9
123.08060	0.8
124.02442	0.4
137.02936	1.1
137.05981	0.9
137.09627	0.4
142.03499	3.7
142.96655	0.5
147.04410	100.0
147.11691	0.8
148.04747	1.8
160.04578	0.7
165.05568	1.9
165.06697	0.5
165.09090	1.1
165.12746	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05508	0.5
59.03487	0.5
59.14665	0.4
63.55402	0.5
65.27700	0.5
69.21191	4.8
82.01442	1.4
82.99840	12.0
95.30815	0.5
98.35769	0.5
100.02501	1.2
100.89633	0.6
101.00883	79.5
102.00983	2.7
109.42931	0.6
111.00444	0.9
117.53831	0.5
118.03510	0.6
119.01923	100.0
120.02012	3.2
124.02463	14.9
137.02007	0.7
137.02975	10.0
142.03502	79.5
143.03598	2.3
160.04550	9.9
165.05135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31115	0.5
70.17619	2.2
76.28676	0.5
82.01439	0.7
82.99848	13.5
83.00311	1.0
94.20826	0.5
100.02494	1.3
101.00889	78.8
102.00977	1.9
119.01929	100.0
120.02055	2.5
124.02457	15.4
125.02700	0.7
137.02977	10.9
142.03510	82.3
143.03693	2.3
160.04556	10.2
165.05330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85952	0.6
55.58242	0.5
62.87576	0.5
69.91280	2.8
75.77319	0.5
82.01447	1.1
82.99844	10.7
83.91908	0.5
87.62506	0.5
98.20767	0.6
100.02489	0.9
101.00884	76.5
102.00957	1.5
111.00458	0.7
119.01926	100.0
120.02024	2.0
124.02458	15.5
129.31786	0.5
137.01997	0.8
137.02969	10.4
142.03503	86.1
143.03632	2.0
160.04550	10.0
160.76416	0.5
165.05078	1.1
169.19276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
52.57209	1.1
53.03952	10.4
55.01864	3.0
55.05503	4.5
57.07066	1.4
65.03954	1.1
67.05506	5.2
69.03432	3.7
69.06736	1.8
69.07077	24.5
71.38330	1.0
71.61432	1.0
77.03935	3.5
79.05504	28.1
81.03448	1.5
81.07066	17.3
83.04991	2.0
83.08617	3.1
87.45112	1.0
89.03925	27.7
91.05487	16.6
92.02628	3.6
93.07053	37.7
95.04971	13.1
95.08615	17.8
103.05477	4.8
105.03390	3.7
105.04506	5.4
105.07045	13.2
106.06573	1.2
107.04958	18.1
107.08604	87.4
108.08923	1.0
109.06546	2.0
109.10180	2.0
115.05414	1.1
117.03397	18.5
117.05755	1.3
117.07012	6.2
119.04927	2.9
119.08604	8.4
121.06515	11.0
121.10155	30.8
121.18587	1.2
122.10449	1.3
130.06567	3.2
130.07791	2.4
131.04942	3.6
132.08115	3.9
133.01970	1.7
133.02869	15.3
133.06468	1.3
135.04433	54.3
135.08060	2.7
135.11688	14.8
136.04724	1.5
145.02859	13.7
145.03925	1.5
145.10150	12.7
148.08856	5.3
163.03925	100.0
163.07561	4.0
163.11198	87.0
163.14832	53.8
164.04298	3.0
164.11569	2.1
164.15190	1.7
176.16734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	1.6
52.57209	1.1
53.03952	10.4
55.01864	3.0
55.05503	4.5
57.07066	1.4
65.03954	1.1
67.05506	5.2
69.03432	3.7
69.06736	1.8
69.07077	24.5
71.38330	1.0
71.61432	1.0
77.03935	3.5
79.05504	28.1
81.03448	1.5
81.07066	17.3
83.04991	2.0
83.08617	3.1
87.45112	1.0
89.03925	27.7
91.05487	16.6
92.02628	3.6
93.07053	37.7
95.04971	13.1
95.08615	17.8
103.05477	4.8
105.03390	3.7
105.04506	5.4
105.07045	13.2
106.06573	1.2
107.04958	18.1
107.08604	87.4
108.08923	1.0
109.06546	2.0
109.10180	2.0
115.05414	1.1
117.03397	18.5
117.05755	1.3
117.07012	6.2
119.04927	2.9
119.08604	8.4
121.06515	11.0
121.10155	30.8
121.18587	1.2
122.10449	1.3
130.06567	3.2
130.07791	2.4
131.04942	3.6
132.08115	3.9
133.01970	1.7
133.02869	15.3
133.06468	1.3
135.04433	54.3
135.08060	2.7
135.11688	14.8
136.04724	1.5
145.02859	13.7
145.03925	1.5
145.10150	12.7
148.08856	5.3
163.03925	100.0
163.07561	4.0
163.11198	87.0
163.14832	53.8
164.04298	3.0
164.11569	2.1
164.15190	1.7
176.16734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03714	0.8
53.03954	10.9
55.01862	1.7
55.05523	3.2
57.07080	1.0
58.08471	0.6
58.36628	0.5
65.03948	0.7
67.05511	10.8
69.03430	1.3
69.06729	0.8
69.07075	7.9
71.48124	1.1
74.68411	0.6
77.03917	2.9
79.05504	30.9
80.05859	0.6
81.03426	1.5
81.07064	16.7
83.08621	2.3
89.03423	0.8
89.03931	11.7
91.05494	12.4
92.02652	2.9
93.07059	28.5
95.04978	11.6
95.08620	14.8
95.68900	0.7
103.05487	4.6
105.03409	5.2
105.04506	4.8
105.07047	4.9
106.06535	1.6
107.04966	10.1
107.08607	28.6
109.06573	0.8
109.10166	1.0
109.53352	0.5
115.05424	0.7
117.03397	10.2
117.05750	1.4
117.07056	2.9
119.04963	3.6
119.08579	3.2
120.02071	1.0
120.08133	1.3
121.06534	2.8
121.10155	28.9
129.06969	0.5
130.06523	2.7
130.07788	1.3
131.04973	4.6
132.08130	3.8
133.02873	21.4
135.04439	36.3
135.08055	2.2
135.11707	6.2
136.04742	0.6
142.10963	0.6
143.08617	0.5
145.02856	7.9
145.03888	1.0
145.06509	0.9
145.10120	6.5
163.03929	100.0
163.07549	4.5
163.11191	24.1
163.12373	2.5
163.14838	22.4
164.04276	1.8
164.07082	1.1
164.15198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02375	1.1
53.03714	0.8
53.03954	10.9
55.01862	1.7
55.05523	3.2
57.07080	1.0
58.08471	0.6
58.36628	0.5
65.03948	0.7
67.05511	10.8
69.03430	1.3
69.06729	0.8
69.07075	7.9
71.48124	1.1
74.68411	0.6
77.03917	2.9
79.05504	30.9
80.05859	0.6
81.03426	1.5
81.07064	16.7
83.08621	2.3
89.03423	0.8
89.03931	11.7
91.05494	12.4
92.02652	2.9
93.07059	28.5
95.04978	11.6
95.08620	14.8
95.68900	0.7
103.05487	4.6
105.03409	5.2
105.04506	4.8
105.07047	4.9
106.06535	1.6
107.04966	10.1
107.08607	28.6
109.06573	0.8
109.10166	1.0
109.53352	0.5
115.05424	0.7
117.03397	10.2
117.05750	1.4
117.07056	2.9
119.04963	3.6
119.08579	3.2
120.02071	1.0
120.08133	1.3
121.06534	2.8
121.10155	28.9
129.06969	0.5
130.06523	2.7
130.07788	1.3
131.04973	4.6
132.08130	3.8
133.02873	21.4
135.04439	36.3
135.08055	2.2
135.11707	6.2
136.04742	0.6
142.10963	0.6
143.08617	0.5
145.02856	7.9
145.03888	1.0
145.06509	0.9
145.10120	6.5
163.03929	100.0
163.07549	4.5
163.11191	24.1
163.12373	2.5
163.14838	22.4
164.04276	1.8
164.07082	1.1
164.15198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02364	0.8
53.03952	4.6
55.01874	3.7
55.05510	2.6
57.03424	1.0
58.79091	0.5
65.03919	1.1
67.05497	1.5
69.03421	2.7
69.06796	0.5
69.07070	5.3
71.49643	0.8
77.03915	1.6
79.05495	9.7
81.03394	0.9
81.07060	4.3
83.04976	0.6
83.08611	1.1
89.03921	9.4
91.05488	6.7
91.60175	0.5
92.02621	1.7
93.06490	1.0
93.07047	14.9
93.07629	0.7
95.04961	5.3
95.08601	3.4
101.26218	0.6
103.05466	2.4
105.03412	4.3
105.04493	2.3
105.07034	7.6
107.04968	9.5
107.08600	21.3
115.05442	1.3
117.03397	8.5
117.06982	3.0
119.08583	6.7
121.06503	14.1
121.09334	0.9
121.10142	10.0
121.84901	0.6
130.06682	1.3
130.07784	3.5
131.04944	1.1
132.08070	1.6
133.02849	8.7
133.06476	2.5
133.10149	0.9
135.04417	20.8
135.08035	3.2
135.11688	4.4
143.08614	0.7
145.02878	4.5
145.10126	10.6
147.08029	0.9
148.08810	4.8
161.09579	1.3
163.03909	43.4
163.07538	2.5
163.11180	100.0
163.14822	8.2
164.04240	1.5
164.11557	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03938	1.6
55.01852	0.7
55.05509	0.9
63.02363	0.9
65.03938	0.5
66.01640	0.3
67.05495	0.8
69.03413	0.8
69.07059	1.2
71.29044	0.5
77.03912	0.8
79.05075	0.6
79.05499	8.9
81.07044	1.7
83.04957	0.6
83.08623	0.6
89.03922	28.1
91.05470	3.0
93.07041	4.0
95.04985	2.5
95.08640	0.5
103.05474	10.4
105.04509	0.9
105.07044	3.5
107.04962	11.9
107.08594	4.9
109.06532	0.4
115.05448	0.7
117.03380	22.9
117.07034	3.3
119.04953	0.7
119.08602	2.2
121.06509	1.6
121.10144	2.9
130.07788	0.9
131.04933	11.8
133.02852	1.0
133.06470	2.6
135.04420	34.2
135.08037	3.2
135.11679	2.2
136.04764	0.8
143.08549	0.5
145.02852	16.8
145.03909	1.0
145.06412	0.5
145.10135	7.0
147.08044	3.9
148.08833	13.4
158.05919	0.4
163.03911	34.5
163.07550	4.4
163.11180	100.0
164.04237	0.5
164.11560	2.6
176.94409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02385	0.7
53.03953	1.8
57.73252	0.4
63.02376	1.0
65.71083	0.4
67.05519	0.5
69.07065	0.5
69.28431	4.1
77.03942	0.9
79.05509	4.2
81.07056	0.5
89.03929	19.0
91.05499	1.0
93.07054	1.2
95.04968	1.9
95.08599	0.4
97.33649	0.4
103.05479	80.0
104.05829	2.4
105.04539	0.6
105.07076	0.8
107.04976	7.2
107.08607	1.9
117.03396	18.7
117.07079	0.5
119.04904	0.5
121.06567	0.5
121.10146	0.8
131.04945	100.0
132.05281	2.5
133.02869	0.8
135.04434	29.1
135.08105	1.1
135.11737	0.4
136.04724	0.7
145.02873	13.2
145.04010	1.1
145.10094	0.5
163.03929	30.9
163.07564	44.8
163.11163	2.4
163.14856	0.7
164.04256	0.7
164.07927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
52.30623	1.2
53.03947	6.8
53.34980	1.1
55.05496	4.3
63.02365	3.8
67.05503	1.3
69.03419	5.6
69.07040	1.5
70.11921	6.0
77.03921	2.0
79.05500	22.9
81.03408	1.5
81.07059	7.7
83.04986	3.2
85.02931	1.3
89.03925	68.5
90.04223	1.5
91.05487	15.1
93.07050	16.0
95.04969	30.7
95.08600	1.8
98.21488	2.5
103.05471	38.3
105.04539	3.0
105.07033	16.8
107.04961	24.6
107.08610	22.8
109.06499	2.4
115.05455	1.7
117.03382	63.0
117.07050	6.8
118.03648	1.6
119.04942	2.9
119.08593	8.4
121.05752	1.4
121.06491	7.0
121.10144	21.5
122.03487	1.2
130.06514	1.1
130.07797	7.0
131.04942	33.4
132.05214	2.1
133.02823	2.8
135.04422	99.1
135.08037	3.0
135.11664	10.2
136.04706	1.6
143.08559	1.7
145.02858	43.4
145.03940	3.0
145.10129	21.7
148.05237	1.4
163.03915	100.0
163.07541	10.6
163.11185	69.0
163.12555	2.9
164.04233	2.9
164.11586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
52.84747	0.4
53.03950	2.3
55.01864	0.5
61.02239	0.5
62.01598	0.8
63.02378	3.8
68.99754	0.5
70.50506	1.0
73.97662	0.5
74.51915	0.4
77.03947	1.2
79.05500	10.3
81.03403	0.6
89.03926	80.1
92.13715	0.5
94.72614	0.5
95.04975	1.4
98.21464	0.6
105.04527	1.0
107.04234	0.6
107.04962	15.6
117.03390	67.7
118.03712	0.7
120.13129	0.5
135.04430	100.0
136.04770	1.2
145.02866	47.7
145.03925	2.5
146.03212	0.8
163.03918	76.3
163.14136	0.5
164.04204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03951	4.0
56.36307	0.5
63.02380	2.3
67.05522	0.6
70.03000	2.5
77.03928	1.5
79.05500	12.7
81.03417	0.7
85.62728	0.6
89.03922	82.4
90.04263	1.5
91.05493	1.9
93.07063	1.2
95.04971	5.0
97.07185	0.4
103.05480	3.4
105.03398	1.6
105.04509	1.6
105.06979	1.1
107.04958	17.5
107.08617	1.4
108.05322	0.5
117.03387	69.5
117.07076	0.8
118.03712	1.5
119.04923	0.6
130.06535	0.6
130.30238	0.5
131.04951	2.7
133.02870	6.4
135.04424	100.0
136.04755	1.9
145.02861	45.5
145.03918	2.6
145.10147	1.0
157.75896	0.6
158.06062	0.7
163.03912	99.9
163.07594	2.2
163.11166	3.1
164.04297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.06575	0.7
51.96677	0.8
53.03938	2.8
63.02369	2.8
68.98297	0.7
71.44199	1.0
71.84928	0.7
77.03967	1.3
79.05505	12.2
85.52322	0.8
89.03928	83.5
90.04247	1.4
95.04961	1.7
105.04495	1.5
107.04961	13.8
117.03390	74.5
118.03725	1.0
120.44205	0.8
129.34436	0.8
135.04427	100.0
136.04773	1.8
145.02869	50.9
145.03941	2.8
163.03923	82.3
164.04250	1.8
178.08160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03938	2.4
56.04119	0.8
63.02376	1.4
67.86770	0.7
69.20851	1.7
69.21253	6.1
70.82726	0.7
77.03919	0.9
79.05090	0.7
79.05508	10.0
81.37741	0.7
89.03927	73.7
90.04305	1.1
95.04955	2.1
96.07909	0.7
98.21639	1.4
100.52681	0.7
103.00634	1.4
105.04491	1.2
107.04967	14.8
117.03393	70.1
118.03706	1.8
121.01718	1.6
135.04430	100.0
136.04741	2.3
145.02869	45.8
145.03915	2.0
146.03224	1.1
158.23444	0.8
163.03918	74.4
164.04182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	3.2
54.66281	0.8
55.05519	6.5
65.03947	1.3
67.05183	1.2
67.05511	16.1
69.07076	5.2
70.57047	1.1
77.03925	1.8
77.25829	0.7
79.05503	21.3
81.07066	24.7
83.28003	0.8
91.05489	60.4
93.07056	17.0
95.04981	1.6
95.08629	7.6
96.76530	0.9
103.05490	4.9
104.06268	1.0
105.03402	2.8
105.07041	100.0
106.07340	1.9
107.08617	4.5
115.05434	5.4
117.07034	9.1
118.04151	1.7
118.07848	0.9
119.08596	98.7
120.08853	1.7
131.04906	1.6
131.08548	5.3
132.09337	1.4
133.02863	3.5
133.06516	6.8
133.10144	66.8
134.10432	1.4
143.06096	1.3
145.10095	1.0
146.10944	1.9
159.11734	2.7
161.02420	2.8
161.06018	3.6
161.09671	4.2
161.13274	87.9
162.13643	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03936	2.9
55.01852	1.6
55.05516	4.9
67.05190	1.8
67.05513	22.5
69.07077	6.2
70.43071	1.8
70.43424	2.7
78.93143	1.2
79.05501	33.4
81.06594	1.8
81.07066	30.1
91.05492	86.9
92.05803	1.1
93.07053	21.5
93.07633	1.4
95.04986	2.5
95.08621	14.3
101.95088	0.9
103.05466	3.0
105.07043	86.4
107.08571	4.9
108.97445	1.1
115.05479	5.2
117.07030	32.0
118.04190	1.3
119.08595	75.5
119.95706	1.4
120.08839	1.4
128.06227	4.0
131.08586	4.9
132.09384	1.7
133.06538	5.4
133.09134	2.2
133.10150	44.1
143.08580	9.6
146.07245	1.2
155.05957	1.0
155.10428	1.2
159.11664	3.0
161.06020	3.7
161.09645	40.0
161.13272	100.0
162.13614	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99781	0.5
53.03931	1.2
55.01855	0.6
55.05506	2.2
58.41082	0.5
65.03944	0.5
67.05506	4.7
69.03432	5.3
69.07059	1.9
69.50053	3.5
74.06059	0.5
79.05073	0.7
79.05499	8.1
81.00227	0.5
81.07061	5.9
91.05483	23.6
93.07049	8.3
95.04985	0.7
95.08630	2.7
97.02891	0.8
103.05474	3.5
103.98547	0.5
105.03407	0.6
105.07036	55.4
106.07359	1.1
107.04956	2.4
107.08589	2.0
110.32924	0.5
113.00785	0.5
115.05428	3.2
117.07016	4.0
118.04152	1.9
119.04920	1.0
119.08588	27.0
120.08894	0.5
121.06505	13.7
128.06235	8.0
131.04916	3.4
131.08594	3.1
132.05682	2.2
133.06494	6.0
133.10133	30.7
134.10420	0.9
143.08566	9.0
145.06502	3.8
146.03642	1.2
146.07275	26.5
147.07556	0.7
159.08043	1.1
159.11740	0.6
161.06021	3.0
161.09625	100.0
161.13254	22.5
162.10034	2.6
162.13483	0.7
177.78157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41219	0.2
58.99847	0.2
71.07048	0.4
82.99845	6.5
83.99903	0.2
86.15205	0.2
89.60403	0.2
100.02484	0.4
101.00888	53.1
102.00931	2.2
106.42793	0.2
111.00445	0.4
113.69790	0.2
115.97107	0.3
119.01928	100.0
120.02014	4.1
121.02383	0.4
124.02480	0.3
127.47846	0.2
133.03467	0.2
136.48398	0.5
137.02962	15.3
138.03143	0.5
142.03496	1.0
142.74854	0.3
143.01886	0.5
143.03687	1.2
161.01724	0.4
161.02980	5.3
161.04362	0.4
179.04001	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01881	0.9
55.05517	0.7
56.96573	0.3
57.03439	2.1
58.06604	0.3
58.99866	1.0
59.05003	0.2
59.30865	0.2
60.08167	0.6
61.02930	1.7
68.98308	0.4
69.03436	2.2
69.92185	0.8
69.92586	0.4
70.99857	1.3
71.04998	0.5
72.08157	1.3
73.02923	2.4
73.06559	0.3
76.02699	0.3
77.00912	0.6
79.02157	0.3
79.08482	0.2
80.02969	0.2
81.01902	0.7
81.03424	1.4
82.01442	0.3
82.02705	0.3
82.99844	5.8
83.00307	0.4
83.01334	0.2
83.05001	0.2
83.99929	0.2
84.08150	0.6
84.92342	0.2
85.01424	0.8
85.02901	2.4
85.33982	0.2
86.02921	0.2
86.03674	0.3
87.00754	0.2
87.01907	0.9
88.02689	0.6
89.00889	0.5
90.09203	0.7
93.01891	0.7
94.02674	0.8
94.52814	0.2
96.02432	0.5
97.01413	0.6
97.02883	3.3
98.03199	0.4
98.06039	0.2
98.20901	0.3
98.97603	0.4
99.01915	0.4
99.04469	0.5
100.02522	1.2
101.00887	48.2
102.00947	2.1
102.02407	1.1
102.09187	0.3
102.67228	0.2
103.00637	0.8
103.02454	1.6
103.03169	0.4
103.03936	0.8
105.00364	0.4
105.88906	0.2
106.52428	0.2
107.03422	0.3
108.02422	0.3
109.02895	0.4
110.02197	0.3
110.03091	0.2
110.03986	0.4
111.00446	0.3
111.02929	1.2
113.00901	1.2
113.01588	0.3
113.02386	0.4
114.02425	0.6
115.00642	0.3
115.02437	2.3
115.03151	0.3
116.98664	0.2
118.03539	0.6
119.01926	100.0
120.02006	4.4
120.03430	0.4
121.01633	1.1
121.03490	0.5
122.03648	0.2
123.02952	0.4
124.02483	0.3
127.02367	0.2
127.03923	0.4
129.03931	1.1
130.08694	0.2
130.54137	0.2
131.01900	2.9
132.01967	0.3
132.03468	0.5
133.01663	0.4
133.03476	4.6
134.03523	0.5
135.03221	0.6
137.02965	17.6
138.03061	0.7
138.96384	0.3
139.02425	0.9
141.03912	0.5
142.01033	0.2
142.03505	1.1
143.01907	12.9
143.03685	0.9
144.02048	0.3
144.91159	0.2
145.03470	0.9
147.01396	0.4
147.05002	1.9
149.02966	0.3
149.54880	0.3
151.04544	0.7
155.01921	0.8
156.02019	0.3
156.97488	0.9
157.03476	4.2
159.05046	1.5
160.04610	0.3
161.02962	18.4
161.04086	1.0
162.03072	0.8
162.11266	1.2
162.14896	1.0
165.06038	0.3
167.01915	0.3
169.03458	0.3
171.05038	0.6
173.02971	0.9
174.98590	0.5
175.04541	1.2
177.06113	0.6
179.04033	3.2
184.04466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.22781	0.4
53.03949	0.9
55.05553	0.4
67.05504	3.9
70.06590	1.1
76.93374	1.6
79.05499	3.6
81.07061	3.1
91.05489	12.2
93.07054	1.0
94.94419	0.5
100.33698	0.4
103.05468	1.0
105.07034	20.9
106.07354	0.4
110.71093	0.4
113.02370	1.7
114.09161	0.8
115.05464	4.9
116.06253	2.1
117.07024	42.7
117.95960	2.0
118.07318	0.9
119.08593	8.1
128.06229	0.9
128.59929	0.4
129.07011	14.7
130.07806	9.5
131.08575	55.4
132.08936	1.0
135.97018	0.5
136.97461	0.4
138.36206	0.4
141.01839	6.0
141.06995	1.0
142.07776	1.3
143.08568	1.5
144.05727	1.1
144.09358	19.9
157.10152	4.1
159.08128	6.3
159.11697	100.0
160.12036	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	160.0758
Annotation	3-Methyl-quinolin-2-ol
Peak:m/z	Relative Intensity
52.75871	0.4
53.03940	0.5
55.01868	0.7
56.96549	1.4
59.04977	0.5
59.93098	1.1
65.46083	0.5
69.03420	1.1
70.06577	1.4
71.04983	0.4
71.48588	0.6
72.08138	0.7
77.03925	0.5
77.94130	0.8
79.05479	1.0
85.02895	1.0
86.09683	0.6
91.05473	1.8
94.89102	0.5
97.02904	0.6
98.97594	2.5
99.97893	0.9
100.97158	0.5
101.00875	1.8
103.05471	0.5
104.05027	1.2
104.05768	0.6
105.03416	0.8
105.07036	4.8
106.00967	0.5
110.37963	0.4
114.09170	3.5
115.05456	15.2
116.01560	0.5
116.05019	2.5
116.05729	0.7
116.10725	0.9
116.98640	0.9
117.05758	9.9
117.07030	0.8
118.06554	11.6
118.96758	4.9
119.01918	5.0
120.04369	0.4
124.02385	0.5
128.02336	0.5
130.06549	1.4
131.07251	0.5
132.04457	27.9
132.08093	41.9
133.04855	0.6
133.06477	2.7
133.07336	0.4
133.08430	1.3
136.95392	1.0
137.02968	1.2
140.04987	3.0
142.02274	0.7
142.03485	1.6
142.06525	20.5
145.05182	0.7
147.22139	0.4
150.50206	0.5
154.96452	1.8
159.06766	0.6
160.07582	100.0
161.05948	0.7
161.07962	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	159.0443
Annotation	1,2-Naphthoquinone
Peak:m/z	Relative Intensity
50.01586	0.6
51.02387	0.4
51.80698	0.4
53.00310	1.2
53.03956	5.6
53.53186	0.5
55.01885	0.4
64.36208	0.4
68.72933	0.3
69.77207	2.0
74.36572	0.4
77.03934	2.7
81.03416	0.4
88.43564	0.4
91.05493	0.8
94.57128	0.4
95.04985	5.2
98.25442	0.4
98.97578	0.6
102.04684	2.9
103.05476	100.0
104.05202	0.4
104.05824	2.5
105.04536	2.7
112.47318	0.4
115.05468	0.9
129.06978	0.3
130.06549	0.8
131.04941	90.1
132.05278	1.9
132.08107	2.6
141.01834	0.9
142.06638	0.5
149.06000	1.0
157.02930	0.5
159.04430	50.7
159.09216	1.4
159.11740	1.4
160.04741	1.2
177.05458	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03961	0.5
53.26384	0.5
56.96571	1.8
57.03476	0.4
58.05802	0.5
67.05512	2.7
70.06584	1.0
76.93371	4.0
77.03917	0.5
79.05509	2.3
81.07072	1.0
81.85481	0.6
91.05486	16.1
93.07033	0.9
94.94421	0.7
96.13869	0.5
97.34071	0.5
98.97597	0.8
103.05473	1.6
105.07037	23.1
113.02370	3.4
114.09238	0.5
115.05451	6.5
116.06253	3.2
117.07027	38.3
117.95992	4.6
118.07392	0.5
119.08587	10.7
128.06248	1.9
129.07010	22.3
130.07799	20.7
131.08574	85.6
132.08902	2.3
134.30923	0.5
135.97006	1.2
141.01833	10.2
141.07030	0.6
142.07819	2.9
143.08556	1.2
144.05711	1.0
144.09348	24.5
145.82266	0.5
157.10120	4.3
159.02872	0.6
159.08182	3.4
159.11697	100.0
160.12045	2.9
172.19640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01868	2.1
55.05514	2.9
56.96567	3.0
57.03419	0.6
58.99865	0.8
59.05011	0.5
62.62862	0.4
65.03947	5.5
67.01867	0.7
67.05508	13.0
68.98296	0.4
68.99789	1.0
69.03438	2.2
70.99855	0.8
71.04971	0.5
71.47939	0.8
77.03944	0.5
81.03429	0.6
82.01445	1.0
82.99841	1.1
83.04985	21.3
85.01417	1.1
85.02920	2.2
85.05210	0.5
86.99349	0.6
93.01017	0.6
93.03395	5.1
95.04974	30.8
97.01456	0.4
97.02896	0.5
98.97592	4.6
98.98479	0.6
100.00102	1.4
100.02505	2.3
101.00881	6.0
102.00951	0.4
102.01585	1.3
102.94330	0.7
103.00622	0.7
103.02449	1.4
105.04513	2.7
111.02062	1.3
111.04444	15.9
115.00631	1.0
115.02432	5.2
116.98559	2.0
117.02145	0.4
117.03961	0.6
118.01142	1.1
118.03542	0.7
119.01148	0.8
119.01928	7.9
120.01949	0.7
120.95403	3.4
121.01672	1.0
121.02853	3.1
122.52828	0.4
123.02169	0.7
124.52421	0.4
124.99109	0.7
125.01833	0.5
127.02414	0.7
128.49994	1.1
129.03964	1.4
131.01900	0.9
132.02820	0.8
133.01683	2.7
133.03464	10.6
133.05162	1.0
134.03612	2.2
134.04826	2.7
134.07616	0.7
134.99832	1.5
137.03001	1.0
137.49997	0.4
137.99654	0.4
138.96423	21.6
139.02441	0.6
139.03902	1.9
139.96480	0.6
141.03841	0.4
142.01102	1.4
142.50165	0.6
142.98900	1.0
143.00122	0.6
145.03477	2.2
147.05043	0.6
148.96007	0.6
151.04555	0.6
152.05864	1.6
156.97487	100.0
157.03488	4.5
157.05009	1.3
157.97566	2.3
158.97899	0.4
160.02135	2.2
169.03423	0.5
174.98552	62.6
175.04532	2.6
175.98662	1.5
176.99072	0.4
179.99104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21775	2.3
71.48215	2.4
74.09727	19.4
96.96915	4.5
102.01011	2.2
103.02435	2.3
103.71037	2.0
110.07174	4.6
112.05271	15.1
114.01020	4.5
115.00659	4.3
115.02415	2.7
130.06314	17.1
131.01942	2.5
132.02031	12.4
133.01686	6.6
133.03468	5.3
135.28210	2.5
156.04222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06450	0.5
55.01876	1.3
56.96566	1.8
57.03448	0.9
58.99869	1.6
59.79417	0.5
62.42246	0.5
63.47887	0.6
67.05537	0.7
70.95861	0.9
70.99860	2.1
71.21639	1.0
73.02917	1.0
78.52980	1.8
79.03004	0.6
81.03421	1.2
82.01445	5.4
82.99847	10.1
83.01519	1.6
83.06107	0.6
83.99969	0.5
85.00944	0.8
85.01421	5.8
85.02926	1.2
92.52729	1.0
93.04549	0.6
95.01359	0.6
95.04967	0.5
95.06116	0.8
97.01392	1.3
100.00120	0.6
100.02495	6.8
101.00893	73.2
101.02595	1.9
102.00963	3.2
103.02457	8.8
105.02099	0.9
109.02924	1.0
110.07175	8.8
111.00471	0.7
113.00878	1.9
114.00959	3.5
114.04038	0.7
115.00639	2.6
115.02445	8.5
115.27426	0.5
118.03535	1.8
119.01935	100.0
120.01988	3.6
121.01657	0.7
121.03499	2.2
124.02478	9.6
126.04015	1.0
131.00172	0.9
131.01933	2.7
132.02020	5.5
132.05067	2.0
132.95773	0.6
133.01707	6.4
133.03479	30.2
134.03630	1.2
135.03246	0.5
137.02974	10.7
138.04057	1.1
142.03513	53.3
143.03697	1.9
145.03398	0.6
149.01245	1.0
150.96925	0.9
151.02774	0.6
151.04543	4.0
156.02109	0.8
156.03220	1.1
156.05083	3.3
157.03500	0.9
160.04575	6.9
174.03114	0.8
174.06125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00309	1.6
53.03953	6.7
53.04164	1.3
53.40596	1.1
55.01862	3.8
55.05516	31.0
57.03428	5.7
57.07079	23.9
59.04992	5.8
62.69809	1.5
65.03954	12.5
67.05509	76.8
69.03413	5.8
69.07069	8.9
69.28755	6.3
69.29181	5.7
69.96183	9.2
70.95867	17.2
71.01353	15.9
71.04999	67.0
71.94100	3.8
72.93792	100.0
75.77737	1.5
79.05504	11.3
81.03428	6.4
81.06594	2.7
81.07059	50.5
82.07421	2.2
83.04988	9.8
84.52242	1.2
85.02891	2.9
85.06541	9.5
88.96911	2.2
90.94827	16.6
91.05472	6.0
93.03407	7.7
93.07053	10.1
95.04970	38.2
95.08611	53.2
97.06531	2.9
98.98460	3.7
99.04457	50.4
99.08104	4.6
101.06048	2.3
105.04520	2.6
107.08622	3.4
109.02885	5.4
109.06525	23.4
109.10161	80.2
110.06872	1.8
110.10477	1.9
111.04437	13.7
111.08082	5.8
111.98479	6.0
112.01653	1.9
113.06015	11.2
113.09624	2.1
113.96408	62.8
114.94836	1.7
119.08543	3.2
123.04456	11.6
125.15396	1.3
127.03906	7.6
127.07526	3.1
131.96144	31.0
131.97429	19.3
132.95839	20.4
137.02339	5.6
137.05988	5.3
137.09642	12.7
140.04642	3.0
149.97205	22.1
150.96878	19.7
155.03389	5.2
155.07091	14.5
155.08969	18.5
155.10635	7.2
155.66290	1.5
156.08023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05513	0.9
57.03433	2.2
57.60826	0.9
58.99866	4.4
60.38419	0.6
61.02920	0.9
69.03428	1.4
70.75288	1.6
70.75617	1.2
70.99857	4.0
71.94089	0.9
73.02919	1.5
76.02697	1.5
81.03409	1.0
82.01454	7.1
82.99860	5.2
85.01414	5.9
85.02905	2.7
86.99325	1.0
88.02679	2.2
88.52748	1.4
89.00883	1.3
93.01898	1.1
94.02662	2.1
94.99832	3.5
95.03461	1.4
97.01393	0.9
97.02871	0.9
99.04427	1.0
100.02486	9.9
101.00888	38.5
101.03452	1.5
102.02380	1.3
103.00655	0.9
103.02429	8.0
103.03144	1.1
107.09908	0.9
110.07140	1.2
111.02926	2.4
113.00876	48.5
114.00963	5.1
114.04053	1.8
115.02413	5.8
118.03540	2.9
119.01928	45.7
120.01990	1.2
121.03470	1.9
124.02454	3.6
124.71140	0.7
127.02393	0.8
131.01915	100.0
131.96141	4.4
132.01970	11.8
132.05066	3.0
133.03473	21.4
134.03571	1.2
137.00832	2.0
137.02982	4.9
142.03505	14.4
144.05151	1.1
145.03474	3.3
149.02963	8.6
149.97215	1.9
150.03108	1.0
151.04489	4.0
154.03494	1.4
155.01917	14.0
155.03239	1.3
155.03688	1.2
156.05124	1.7
160.04559	2.3
173.02997	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	155.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
56.96560	1.2
57.03451	3.0
58.99865	3.6
61.02925	0.7
67.05498	0.9
68.98285	1.1
69.03425	1.9
69.96175	1.5
70.99863	5.3
71.01337	0.7
71.34515	1.0
73.02923	1.3
76.02701	1.2
76.52734	0.6
77.00880	0.7
78.52971	1.5
81.01926	0.7
81.03390	1.6
82.01448	13.0
82.01929	0.8
82.99844	7.9
85.01414	5.6
85.02883	1.5
88.02678	2.9
89.00894	1.5
93.01903	0.8
94.02686	1.1
94.99817	3.2
95.03471	1.4
95.04956	0.6
95.31451	0.7
97.02891	1.9
100.00111	1.9
100.02492	22.5
101.00887	52.8
101.03472	1.5
102.02423	1.1
103.02471	6.9
103.03123	0.9
105.00368	1.0
107.03465	0.8
110.07176	1.3
111.02941	2.8
113.00875	46.3
113.53203	0.7
114.00952	5.3
114.04008	3.3
115.00639	1.5
115.02447	6.6
118.01126	1.7
118.03538	5.0
119.01929	75.5
120.02080	0.9
121.03461	1.2
122.53777	0.6
124.02448	5.1
127.02406	1.1
127.03935	0.8
131.01917	100.0
131.96169	6.6
132.01958	8.8
132.05058	5.1
133.01698	1.3
133.03477	22.0
134.03575	0.9
135.03192	1.2
137.00871	0.9
137.02969	8.7
141.02774	0.9
142.03510	28.9
143.01863	1.6
145.03476	3.9
147.05052	1.0
149.02963	8.1
149.97227	4.0
150.03033	1.1
150.06149	1.4
151.04526	4.7
154.03540	2.2
155.01907	11.5
155.03647	1.8
156.05150	1.0
157.03473	1.3
160.04539	3.4
161.02945	1.5
173.02980	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	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05519	4.9
56.05031	0.8
56.92428	0.3
57.03450	0.4
57.07080	0.8
58.69057	0.4
65.03940	0.7
67.05503	3.2
69.03436	0.7
69.33222	2.5
69.96216	0.4
70.06604	0.9
71.01347	0.8
71.04999	2.2
71.94099	0.8
72.93791	3.1
79.05498	2.6
80.05825	0.5
81.07066	9.0
82.01591	0.3
82.06590	1.1
82.07375	0.6
83.04971	0.8
83.07366	0.5
83.08616	1.5
84.08113	0.5
90.94825	0.4
91.05492	1.1
93.03442	0.4
93.05776	0.9
94.06602	0.3
95.04968	1.4
95.08615	1.9
96.04505	0.8
96.05299	0.3
96.08136	0.8
97.05270	3.0
97.06567	0.4
98.06055	2.9
98.09695	1.6
99.04456	1.3
108.08147	3.0
108.08861	0.5
109.06528	6.3
109.10161	2.8
110.06039	3.7
110.06840	0.9
111.04431	1.0
111.06855	3.4
112.08410	1.2
112.96728	0.7
113.06038	0.6
113.96404	1.8
117.07002	0.5
123.04386	0.6
125.08425	0.7
126.06306	0.5
126.09158	3.7
130.96283	0.8
131.96101	0.4
131.97438	0.4
136.03947	0.3
136.08417	0.6
137.09683	0.4
138.05476	0.4
139.06308	4.5
148.97411	0.5
152.07159	0.5
154.02164	1.0
154.08640	100.0
155.07072	0.7
155.09013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02380	2.5
51.47939	1.8
53.03936	6.5
55.01871	3.0
55.05518	16.4
56.96568	3.3
57.03440	2.5
57.07065	7.0
59.04996	8.8
59.14850	2.5
65.03945	19.2
67.05513	12.7
69.03422	5.1
69.07074	15.2
69.97594	2.0
70.94260	11.5
71.05001	35.7
71.06943	5.9
71.94087	3.3
73.06565	19.0
73.85975	1.9
75.04470	5.7
79.01852	13.1
79.05499	43.1
80.05860	1.9
81.07061	100.0
83.04980	8.9
83.08627	3.9
91.05489	19.9
93.03415	20.7
93.07051	55.3
93.07640	2.9
95.04976	56.8
95.08592	13.5
97.02880	2.8
97.06541	21.8
105.04529	3.6
105.07059	4.6
107.01324	5.8
107.04943	8.1
107.07884	3.2
107.08609	50.2
109.06544	10.5
109.10162	12.4
110.03654	4.5
111.04456	14.8
111.08109	15.1
111.96875	6.8
119.08638	2.2
121.02880	93.2
121.06507	9.6
122.03239	3.1
125.02334	3.2
125.06000	14.9
125.09648	4.2
135.04442	3.2
135.08032	4.8
135.11700	25.7
138.03146	2.7
138.06789	3.0
143.03380	8.0
153.01825	22.8
153.02959	6.5
153.04311	2.9
153.05484	20.0
153.06592	4.1
153.09102	13.0
153.12764	15.8
154.04982	2.1
154.08568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02387	1.2
53.00308	1.3
53.03951	5.0
54.59838	1.0
55.01868	3.1
55.05519	13.4
56.46487	1.2
57.07077	1.6
59.05009	7.1
65.03951	9.5
67.05522	7.9
68.99788	1.2
69.03445	1.7
69.07073	11.0
69.56548	2.9
69.56980	4.2
70.94257	3.7
71.05003	31.6
73.06172	1.9
73.06562	19.7
75.04477	1.1
79.01868	10.2
79.05502	33.8
81.07065	100.0
82.07392	1.2
83.04978	4.0
83.08609	2.4
85.06494	1.1
90.49280	0.9
91.05487	13.5
93.03414	5.5
93.07053	40.1
95.01360	1.9
95.04988	4.8
95.08620	9.5
97.02892	2.7
97.06541	9.6
98.21240	3.9
105.04506	2.0
105.07039	2.6
107.01329	3.6
107.05000	5.8
107.05666	0.9
107.08609	34.6
109.06522	6.1
109.10166	7.6
110.03659	4.0
111.04469	5.8
111.08107	7.2
111.96876	1.3
119.08674	1.3
119.45914	1.3
121.06514	1.4
125.02367	4.3
125.05022	0.9
125.05987	5.6
135.04385	1.4
135.08066	1.3
135.11702	21.8
138.03079	2.4
143.03438	5.3
146.32841	1.1
153.01833	17.6
153.02979	4.9
153.04411	1.4
153.05489	11.2
153.09132	5.0
153.12764	11.1
154.04965	1.3
172.15538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02381	1.1
53.00304	2.0
53.03952	4.5
55.01863	1.1
55.05515	13.6
57.03421	1.2
57.07075	2.3
59.04997	8.0
65.03944	6.8
67.05507	7.6
69.03427	2.4
69.07071	11.6
69.44061	0.8
70.78508	2.2
70.94257	1.7
71.04997	32.4
73.06562	23.5
79.01849	5.2
79.05501	28.7
81.03418	1.6
81.07060	100.0
83.04986	2.8
83.08635	2.0
84.24890	0.8
85.06506	1.0
86.55926	0.7
91.05479	10.3
93.03412	3.2
93.07051	42.5
95.04974	3.2
95.08604	9.4
95.68359	0.9
97.02892	1.4
97.06527	9.3
105.04514	1.4
105.07030	3.8
107.01326	3.1
107.04945	2.2
107.08601	41.5
109.06525	3.8
109.10162	7.9
110.03658	2.3
111.04440	4.2
111.08091	7.2
111.96870	1.8
119.08596	2.4
121.02868	1.5
121.06496	1.0
125.02352	2.3
125.06019	4.7
125.09625	1.3
135.04388	1.0
135.08078	1.1
135.11707	24.8
143.03427	3.4
153.01837	9.7
153.02957	2.4
153.05490	4.0
153.09164	2.7
153.12769	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	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.48700	1.1
51.02378	1.5
52.23137	1.1
52.74969	1.3
53.03949	4.1
55.01855	1.5
55.05513	15.1
57.03433	1.3
59.04996	7.2
65.03949	5.7
67.05502	5.0
69.03429	3.4
69.07081	9.9
69.70718	5.5
71.05000	30.5
73.06570	21.4
76.24956	1.1
79.01849	2.9
79.05024	1.4
79.05494	34.1
81.07059	100.0
82.07420	1.8
82.59512	1.2
83.04994	4.3
83.08614	3.5
85.06574	1.5
91.05495	9.8
93.03433	5.7
93.07047	46.5
95.04972	12.4
95.08627	7.1
97.02866	1.9
97.06534	8.3
98.20748	1.4
105.07032	3.2
107.01342	3.7
107.04951	5.7
107.08603	33.6
109.06519	5.4
109.10184	7.5
110.03632	1.2
111.04454	8.3
111.08094	8.2
111.96859	1.7
119.06108	1.4
119.08606	2.1
125.02358	2.3
125.06020	3.4
135.08063	1.5
135.11696	19.3
135.12617	2.0
136.12122	1.4
138.03119	1.6
143.03424	3.7
153.01837	12.5
153.02962	2.7
153.04346	1.4
153.05478	5.2
153.09123	2.6
153.12767	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	153.1274
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
51.02366	1.1
53.03930	2.2
55.01868	2.1
55.05512	12.4
57.03446	4.6
57.07070	2.1
57.89144	0.8
59.04994	1.0
62.84062	0.6
63.38316	0.7
65.03941	5.7
67.05507	33.1
68.99785	1.0
69.03445	4.3
69.07071	49.6
69.33858	5.2
70.94254	3.2
71.04989	2.6
71.94096	1.5
71.95251	1.0
77.03905	0.8
79.01853	7.4
79.05495	32.2
80.05849	0.7
81.03441	1.0
81.07057	40.1
83.04980	6.8
83.08613	5.5
85.06511	1.2
88.95316	0.9
91.05488	7.8
93.03406	3.4
93.07046	48.2
94.07342	0.9
95.04970	2.8
95.08608	20.0
97.02880	2.1
97.05930	1.3
97.06535	21.9
105.04546	1.0
105.07036	1.6
107.01323	3.2
107.04956	3.1
107.08598	52.1
108.08887	0.9
109.06507	2.1
109.10159	35.4
110.03658	2.4
111.04478	6.1
111.08096	9.0
111.11726	1.1
111.96871	1.6
112.96708	1.0
125.02346	2.1
125.06025	7.0
125.09586	0.9
126.06349	2.0
135.04454	0.8
135.08055	1.7
135.11697	100.0
136.12061	1.8
143.03406	3.8
153.01834	14.4
153.02983	3.5
153.04344	0.8
153.05531	4.8
153.07486	4.2
153.09198	3.7
153.12749	77.8
154.04997	1.7
154.13106	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	152.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45152	1.1
53.03937	3.4
55.01863	5.4
55.05501	5.1
56.96309	1.4
56.96567	23.0
57.03439	13.4
58.99864	5.3
59.05002	2.9
60.04524	1.6
60.99589	1.8
61.02916	5.2
65.03934	2.3
67.05508	1.9
68.05841	2.0
68.98306	13.6
69.03434	10.7
69.79810	5.1
69.98362	2.6
70.98065	4.9
70.99837	4.0
71.01358	1.7
71.05001	2.7
71.95246	3.6
73.01439	1.1
73.02922	9.3
75.01913	3.0
76.02711	2.0
77.00908	2.4
78.52960	1.9
79.05476	3.5
80.05019	1.7
80.05822	1.6
81.01911	1.7
81.03423	8.5
82.01440	9.5
82.02688	2.4
82.99849	3.6
83.04982	3.0
84.01176	1.4
85.01414	20.3
85.02892	9.0
85.15313	1.1
86.03705	1.3
86.99322	9.4
87.01889	2.5
87.03718	1.8
87.53429	1.3
88.02709	6.2
88.03990	16.6
88.99094	2.8
89.00870	2.3
89.03458	2.0
91.02443	2.2
91.05480	2.8
92.98299	1.3
93.01885	4.1
94.02696	1.7
95.04971	1.7
96.01521	1.6
96.05326	2.5
97.01395	4.7
97.02890	13.7
97.53719	1.8
98.01343	1.4
98.97565	7.3
99.01147	4.9
99.02967	2.8
99.04466	2.7
100.02479	13.7
101.00892	17.9
101.01598	2.8
101.02543	2.3
102.00971	2.1
102.02342	5.9
103.02448	26.7
103.03082	1.4
105.00381	4.6
105.02178	1.3
107.00133	2.7
107.03573	1.4
107.04958	4.6
108.02409	3.1
109.02881	3.3
109.05144	1.8
110.01286	1.7
110.02144	1.6
110.03544	10.5
110.51472	1.6
110.96847	2.4
110.97578	27.7
110.99306	12.3
111.01079	1.6
111.02930	14.5
113.00884	8.0
114.04036	2.9
115.02431	16.2
116.02476	2.0
117.02191	11.2
117.03985	10.2
118.03519	4.0
119.01922	20.8
120.02039	2.2
120.03329	1.8
120.08107	6.6
121.01602	2.3
121.03463	7.7
121.06502	1.7
122.53758	1.4
123.02927	3.0
124.07568	2.2
127.02419	2.4
128.02068	1.1
128.04518	2.1
128.98627	17.1
129.00345	35.7
129.02126	11.3
129.03983	65.1
130.00484	1.9
130.01648	3.0
130.04097	2.8
131.00191	1.1
131.01909	13.8
131.02762	1.9
131.04451	2.2
132.01955	2.1
132.03423	2.0
133.03473	12.4
134.06010	4.4
135.03096	13.8
135.05080	8.1
136.05119	1.4
139.02415	1.5
140.04964	8.1
140.55058	1.9
141.03966	2.6
142.03500	1.5
143.01898	18.7
144.01991	1.5
145.03467	5.5
146.03593	1.7
146.99562	5.1
147.01395	100.0
147.03146	28.0
147.05013	40.6
148.01480	4.0
151.04662	1.3
152.01920	5.6
152.04282	12.1
152.05667	62.3
152.07033	8.3
152.10704	3.8
153.01846	3.4
153.02937	1.7
153.04080	15.9
155.01907	5.4
157.03470	3.3
159.05057	3.5
161.02948	11.7
163.04468	1.4
165.02470	7.3
165.04294	2.0
167.01866	1.3
170.02979	19.6
170.06641	2.3
171.03285	1.6
171.04976	2.7
173.02962	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	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
50.88865	0.5
53.03951	1.9
55.01874	0.6
55.05514	7.0
56.63577	0.4
56.96562	0.6
57.07079	1.2
59.05005	0.4
65.03949	3.2
67.05508	87.0
68.05847	1.3
69.03442	0.8
69.07073	4.6
71.08653	0.6
77.03954	0.7
77.92106	0.4
79.05494	9.9
80.06284	0.5
81.03437	1.4
81.07059	46.9
82.07419	0.7
83.04987	5.6
83.08627	0.7
85.10215	0.5
91.05475	4.7
93.07048	6.5
95.04980	6.7
95.08612	100.0
96.08953	1.1
98.20709	0.7
98.21394	2.6
103.05521	0.5
105.03407	1.6
105.07044	5.6
107.04948	1.1
107.08611	5.1
109.06513	2.7
109.10162	51.1
110.10509	0.7
120.08144	0.6
121.06525	0.9
123.04450	1.7
123.08057	2.7
123.11715	1.2
133.06490	0.9
133.10112	3.1
139.53143	0.4
143.05251	0.5
145.88742	0.5
151.02838	1.5
151.03923	11.5
151.05135	0.7
151.07555	3.5
151.11186	8.4
151.14827	8.2
152.07034	0.6
166.59657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01596	0.8
51.02378	2.0
53.03951	14.9
53.84648	0.3
55.01877	2.2
55.05506	1.7
65.03947	4.1
67.05508	24.6
69.03422	0.5
69.28693	3.4
77.03933	7.3
79.05498	21.9
81.03417	6.8
81.07046	2.4
83.04984	34.8
91.05479	3.7
93.07052	1.3
95.04972	70.3
95.08602	2.5
96.05315	1.6
103.05483	0.9
105.03403	10.1
105.04504	8.1
105.07045	4.3
107.04961	5.3
109.06509	1.7
109.10175	1.0
115.41373	0.4
119.04936	1.7
121.06542	1.0
123.04437	11.4
123.08065	1.4
133.02863	2.3
133.03920	0.9
133.06509	2.2
151.03909	100.0
151.07484	4.4
151.11182	1.4
152.04265	1.9
167.03386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02379	2.5
53.03950	12.5
55.01887	2.4
55.05516	3.7
58.78813	0.5
60.63615	0.5
65.03949	5.3
66.13161	0.5
67.05510	28.4
69.03446	0.9
71.92792	0.4
77.03937	6.8
79.05499	15.0
79.05965	0.8
81.03425	8.6
81.07056	4.6
83.04988	62.9
84.05297	0.5
91.05491	11.4
93.07049	2.9
95.04974	57.7
95.08616	3.5
98.20628	0.8
103.05473	1.0
105.03410	12.0
105.04510	5.3
105.07032	7.0
107.04967	7.2
107.08619	1.1
109.06521	4.5
109.10172	0.9
119.04964	4.8
121.06520	1.9
123.04440	14.0
123.05347	0.8
123.08061	2.7
133.02870	2.9
133.03792	0.6
133.06511	3.6
133.10080	0.6
136.05199	1.4
137.05937	0.4
148.03604	0.5
151.03915	100.0
151.07529	9.6
151.11153	2.2
152.04286	1.8
165.28262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.86779	0.5
51.02388	2.2
53.00306	0.6
53.03948	13.8
55.01871	1.7
55.05517	6.4
65.03943	6.0
67.05507	28.0
68.99801	0.6
69.71258	3.0
77.03932	7.5
79.05496	12.0
81.03423	12.2
81.07043	3.3
83.04984	89.1
84.05296	0.9
91.05486	2.6
93.07060	1.7
95.04970	61.4
95.08601	3.0
96.05277	1.3
98.20835	0.6
103.05463	1.4
105.03394	9.8
105.04500	7.6
105.07034	10.1
107.04964	8.9
109.06521	5.9
115.30357	0.4
121.06513	2.4
123.04428	12.1
123.08080	1.9
133.02888	2.5
133.06497	4.4
149.02481	0.5
151.03908	100.0
151.07515	8.9
152.04277	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	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01589	0.6
51.02377	2.5
53.00309	0.8
53.03950	14.7
55.01879	2.5
55.05507	2.9
56.96568	0.5
58.50312	0.4
65.03941	4.1
67.05506	27.2
69.03422	0.6
69.43270	3.4
77.03929	8.3
79.05025	0.6
79.05495	22.3
81.03423	6.9
81.07058	3.9
83.04985	43.3
91.05486	5.3
93.07056	2.4
95.04970	72.1
95.08604	2.4
96.05309	1.4
98.21586	1.0
103.05478	1.5
105.03405	11.5
105.04508	8.0
105.07047	6.2
107.04965	6.1
107.08566	1.1
107.84961	0.5
109.06525	4.3
109.10148	1.3
119.04954	1.8
121.02845	0.5
121.06497	1.8
123.04433	12.0
123.08070	1.7
123.11680	0.8
131.94083	0.4
133.02858	2.8
133.03903	1.0
133.06491	2.3
136.05177	0.9
149.02362	0.7
150.82703	0.4
151.03909	100.0
151.07487	7.9
151.11188	1.3
152.04243	2.3
152.10651	0.4
152.64859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01601	0.8
51.02367	2.4
53.03949	15.2
53.68851	0.5
55.01869	1.4
60.31860	0.5
64.67732	0.6
65.03946	3.9
67.05509	21.1
69.78319	1.5
69.78713	1.0
77.03931	9.3
79.05498	58.9
80.05842	0.7
81.03414	2.2
83.04982	4.7
95.04974	46.0
105.03403	17.8
105.04485	7.5
107.04967	5.8
108.18310	0.5
109.06559	0.5
114.83775	0.5
118.39454	0.5
123.04443	8.5
129.77634	0.5
133.02919	2.5
149.02350	0.5
151.03912	100.0
152.04256	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	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01590	0.5
51.02374	1.7
53.00298	0.6
53.03719	0.5
53.03949	7.4
55.01876	1.4
55.05504	1.8
61.85340	0.2
62.28408	0.2
65.03938	3.6
67.05505	25.4
69.38790	2.3
69.39116	0.4
77.03923	6.4
79.05496	5.8
81.03418	4.6
81.07040	1.2
83.04982	31.7
85.12191	0.3
91.05502	0.5
93.07050	0.7
95.04969	22.9
95.08594	1.5
96.05294	0.4
103.05484	0.4
105.03399	9.4
105.04498	4.3
105.07032	3.7
107.04953	7.0
109.06520	3.2
121.06504	1.4
123.04427	7.9
123.05342	0.4
123.08070	1.2
128.81187	0.3
133.02861	3.0
133.06490	1.2
151.03903	100.0
151.07411	3.1
152.04277	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01873	1.8
55.05508	3.2
59.42351	0.8
65.03948	48.4
66.04281	0.8
67.05241	0.7
67.05515	8.3
68.36718	0.6
69.07068	4.2
75.41259	0.8
77.03944	1.1
79.05503	21.4
80.02642	1.4
81.03418	1.3
81.06593	1.3
81.07069	22.5
86.25431	0.8
89.93246	0.8
91.05499	9.9
93.03401	10.0
93.06492	1.4
93.07059	24.1
95.04961	1.9
95.08628	4.1
98.03683	2.4
103.05474	2.4
105.03391	1.1
105.04498	1.4
105.07018	2.7
107.04966	6.9
107.08610	17.3
111.04453	4.2
120.05734	2.0
121.02876	61.3
121.03984	20.9
121.06502	2.9
121.10136	6.1
122.03195	1.6
123.15958	0.8
131.04924	2.0
131.08575	0.8
149.02359	100.0
149.05997	2.4
149.08490	0.9
149.09621	7.2
149.13289	9.6
150.02734	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.86867	0.3
51.02376	2.2
52.55738	0.4
53.00314	0.9
53.03947	9.0
55.01863	1.3
65.03942	4.4
67.05507	21.2
70.77509	0.8
70.77850	0.6
77.03925	6.1
79.05084	0.5
79.05499	6.9
81.03413	1.7
81.07072	0.4
83.04990	3.2
91.64501	0.4
95.04971	29.1
95.08553	0.4
105.02725	0.7
105.03402	9.4
105.04486	5.2
105.07027	1.0
107.04951	7.0
107.05638	0.6
109.06543	0.4
123.04431	6.0
125.44648	0.4
133.02847	3.2
151.03908	100.0
152.04234	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.5
55.01862	2.3
55.05516	3.8
58.43218	0.7
59.21174	0.7
65.03944	50.5
66.04290	0.9
66.59341	0.8
67.05503	7.8
68.45795	0.8
69.07069	5.5
71.48830	1.0
77.35994	0.8
79.05074	1.4
79.05497	18.8
80.02637	1.0
81.03414	1.1
81.07056	22.4
83.08610	1.8
91.05485	9.7
92.06225	0.8
93.03404	12.4
93.06489	1.6
93.07048	27.1
95.04979	2.3
95.08607	3.7
98.03681	1.6
103.05461	1.9
105.03419	1.0
105.04515	1.0
105.07035	2.5
107.04954	7.6
107.08603	17.2
111.04451	7.3
120.05727	2.1
121.02866	55.2
121.03977	21.3
121.06487	1.8
121.10143	6.6
122.03202	1.3
122.10499	1.0
131.04927	1.1
131.08524	1.1
135.07903	0.8
149.02350	100.0
149.05960	2.1
149.09627	7.2
149.13261	11.2
150.02663	1.9
150.09987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01868	5.2
55.05506	1.5
56.96572	6.4
57.03432	2.8
58.99871	3.6
59.04991	2.7
62.46033	1.0
65.03948	54.0
67.05507	3.5
68.57280	1.2
68.98301	1.7
68.99792	1.7
69.03434	2.2
71.47907	1.2
77.00923	2.1
79.05505	5.5
79.51199	1.8
81.03422	5.5
81.07053	1.2
82.01443	7.4
83.04977	8.5
84.52981	1.3
85.02910	1.6
88.51672	1.6
91.05489	16.5
93.03406	9.9
93.07067	7.8
94.02668	2.2
94.98821	4.4
95.04984	6.3
95.48656	1.7
96.51740	1.0
97.01490	3.1
98.03683	2.5
99.04490	1.2
100.01867	2.0
100.02490	23.1
101.00891	2.0
101.02567	2.7
102.03383	2.6
103.02441	2.9
103.03141	1.2
103.05494	8.0
103.99323	3.0
104.52992	1.5
105.00369	3.6
105.03423	3.9
105.04530	2.9
105.07040	2.7
105.53494	5.6
106.49580	1.1
107.04997	2.1
107.08569	1.9
107.52452	2.0
109.02895	1.5
111.03800	2.0
111.04482	8.9
112.02620	1.3
113.01576	1.2
113.03468	1.4
114.04025	1.1
114.54017	3.2
115.01208	1.4
115.02453	22.4
115.50130	3.2
115.99982	1.4
118.03535	8.0
119.00204	1.2
119.01907	5.9
119.04939	2.7
119.08590	1.9
121.02879	57.1
121.03986	20.1
121.06490	6.7
121.10132	1.3
122.03204	1.2
126.04021	1.6
127.02431	12.5
128.01917	1.6
129.49384	1.1
131.01913	3.2
131.04904	5.9
131.08577	1.4
133.03522	10.9
135.03006	1.4
139.02417	3.3
141.02734	1.6
141.96985	1.2
142.03519	2.6
144.02692	3.6
144.05037	1.9
144.50826	5.2
145.03484	64.1
146.03740	1.5
149.02362	100.0
149.05994	8.5
149.09622	1.8
150.02739	3.0
153.51341	3.6
156.01573	1.3
156.05185	1.6
157.03502	4.7
162.06158	2.2
163.04483	5.9
167.05550	1.6
168.05089	4.3
169.03500	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	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69882	0.8
52.13165	0.7
53.12498	0.7
56.05041	6.5
69.38305	5.9
69.42145	0.8
83.04996	0.7
84.04507	100.0
85.02907	2.0
85.04858	1.3
102.05557	15.4
102.79221	0.7
106.54975	0.7
108.57886	0.7
117.02119	0.8
130.04993	6.6
146.78040	0.7
165.93793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
56.05037	6.6
62.91773	0.4
70.90127	1.0
84.04510	100.0
85.02888	2.0
85.04298	0.4
85.04863	1.4
102.05547	16.4
102.06194	0.9
130.05008	7.5
143.26431	0.5
148.06039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0758
Annotation	3,4-Dimethylphenyl isocyanate
Peak:m/z	Relative Intensity
51.02369	1.7
53.03963	14.6
55.01870	4.5
65.03614	2.8
65.03944	40.2
67.05497	2.0
67.69916	1.6
69.73840	9.1
77.03932	3.4
79.05502	31.3
80.04638	1.9
80.05029	19.0
81.03402	1.5
84.04501	2.7
91.04903	2.2
91.05491	43.2
92.05004	4.8
92.05820	7.9
93.03401	7.2
93.05795	6.2
93.07055	37.8
94.06561	2.0
95.04554	1.3
95.04993	13.5
98.03692	1.9
98.20841	1.8
102.04704	2.3
103.04812	3.3
103.05479	52.7
104.05003	12.5
105.03397	1.7
105.04521	6.8
105.05782	14.2
105.07013	5.1
106.06595	3.9
106.07367	5.4
107.04950	1.7
107.08610	4.5
108.04523	1.6
110.06074	3.7
111.04434	5.6
118.06561	18.6
119.07356	13.7
120.05280	4.8
120.08125	94.4
120.08898	5.5
121.02873	43.6
121.03979	15.3
121.06517	7.7
121.10146	2.6
129.88957	1.8
130.06534	13.1
131.04927	5.6
133.05231	3.4
148.03831	2.6
148.04898	3.3
148.07582	100.0
148.12123	3.0
149.02356	70.5
149.05992	5.8
149.07909	2.7
149.09644	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.84584	1.1
53.03938	2.7
55.05508	5.5
64.92807	2.0
65.03940	4.5
67.05518	18.5
69.07080	7.0
71.26329	2.3
79.05511	16.2
81.07067	13.3
91.05489	100.0
92.05832	2.5
92.71841	1.1
93.07057	10.9
95.05000	1.4
103.05469	4.6
105.07041	79.6
106.07885	1.5
117.07009	7.2
118.06530	1.2
119.04952	18.9
119.08592	57.2
120.08898	1.6
123.96479	4.2
129.06996	7.3
130.07793	1.3
145.10133	3.8
147.04419	13.8
147.08081	10.1
147.11700	29.9
148.07607	4.8
149.28026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
62.03096	0.4
65.03941	13.6
69.71960	2.2
73.83591	0.5
91.05483	100.0
92.05798	2.1
100.08090	0.4
113.29195	0.4
119.04945	91.6
120.05269	2.8
147.04417	35.1
148.04790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.54111	0.4
63.19089	0.4
65.03941	12.6
65.81130	0.4
66.34424	0.5
67.81887	0.5
69.68543	0.4
70.93324	1.0
91.05487	100.0
92.05815	2.2
102.47001	0.4
105.07019	1.1
108.43315	0.5
113.42922	0.6
119.04949	88.4
119.08577	1.2
120.05277	1.7
127.49543	0.5
147.04420	33.6
148.04753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03954	1.9
55.05519	5.6
57.03446	4.9
64.88857	0.6
64.92805	1.4
65.03951	9.0
67.05514	2.4
69.03432	0.8
69.07059	1.3
69.24432	4.7
69.24840	0.8
71.04999	18.0
73.02924	1.5
75.02312	0.5
75.04470	0.9
79.05512	5.0
80.05014	0.8
81.07067	2.0
83.04989	1.6
84.04510	1.4
84.08150	1.1
85.02911	15.4
87.04475	1.4
91.05489	100.0
92.05826	2.0
93.07025	3.0
95.04993	1.0
98.21475	1.4
103.05460	4.9
104.05002	2.2
104.06283	1.0
105.07041	38.1
107.05001	0.8
107.08605	2.6
111.04449	0.8
112.25188	0.5
115.05444	1.3
116.06262	1.3
117.07037	10.8
118.06577	1.2
119.04952	57.2
119.08591	50.2
120.04489	0.6
120.05268	0.6
120.08122	2.7
120.08923	1.3
123.96507	1.4
129.07025	2.1
130.07791	0.7
131.08563	1.5
132.05788	1.4
132.09372	3.2
145.10147	2.7
147.04427	37.3
147.05411	1.5
147.08078	5.9
147.09206	1.5
147.11699	39.6
148.04951	1.1
148.07588	7.3
148.12068	1.2
162.81686	0.6
164.42528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.79175	0.3
53.03941	1.2
56.96553	0.9
65.03952	2.1
69.58247	1.6
69.58662	0.8
72.08148	0.8
77.03915	0.6
82.06573	0.6
89.03894	0.9
90.04250	4.0
91.05482	27.5
95.04961	0.6
95.55106	0.5
100.04784	0.9
100.07595	0.8
103.05459	2.0
104.04946	0.4
117.05778	3.2
118.03716	1.8
118.05717	0.8
118.06543	12.1
119.04942	16.6
119.05805	0.9
121.56117	0.4
126.86250	0.4
128.04967	54.3
129.04478	1.3
129.05324	1.0
139.54623	0.4
146.06013	100.0
147.04417	6.2
147.06281	2.5
147.08061	0.5
147.09164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03964	0.9
55.04501	0.5
55.05520	1.0
64.92811	1.1
65.03946	11.5
67.05528	0.5
69.78298	2.7
75.36823	0.5
88.66327	0.5
91.05491	100.0
91.50704	0.5
92.05815	2.3
94.85081	0.6
103.05419	0.7
105.07043	7.3
110.68320	0.6
117.07013	0.7
119.04954	84.7
119.08578	7.8
120.05304	2.3
123.96507	1.6
129.07001	0.5
132.98174	0.5
145.10159	0.8
147.04425	30.3
147.08055	0.6
147.11694	3.8
149.85828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.86649	0.7
56.04937	0.6
63.02402	0.6
64.58389	0.5
64.92806	1.6
65.03943	11.6
66.26894	0.5
69.52702	0.8
69.53006	3.9
91.05482	100.0
92.05824	2.2
95.06671	0.6
105.07025	6.0
117.07005	1.6
119.04944	82.1
119.08569	6.4
120.05301	2.4
123.96455	2.6
129.95609	0.5
147.04413	29.0
147.08072	0.8
147.11685	4.3
148.07545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.6
55.01852	2.0
55.62833	0.7
57.03434	2.2
62.92985	2.9
64.74612	0.7
67.05504	2.6
69.03423	3.1
70.77833	1.8
71.01356	1.5
71.04995	11.4
79.05493	2.9
81.03418	3.7
83.01344	0.8
85.02922	4.5
89.03918	6.1
91.04922	0.8
91.05482	16.0
92.05795	1.0
92.13432	0.7
97.02889	2.4
99.04459	28.4
100.07635	0.9
103.05481	4.7
104.05804	0.8
104.62794	0.9
105.07035	69.3
106.07362	1.4
109.02904	1.5
115.03950	0.7
115.05456	12.9
116.05659	1.0
116.06290	1.7
117.03378	2.2
117.07030	34.4
118.07344	5.1
121.96653	2.7
127.03938	4.3
128.06219	10.1
129.07021	14.0
130.07791	58.7
143.08569	11.4
144.07722	3.7
145.05002	2.8
145.06673	4.5
145.08424	25.4
145.10136	100.0
146.05978	1.0
146.10493	2.3
155.06041	3.2
156.06409	1.3
157.07611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01860	0.5
57.03440	0.5
59.26017	0.2
62.01593	0.4
63.02377	4.4
69.03431	0.9
71.04985	2.4
71.48068	0.4
73.40327	0.2
74.25764	0.2
75.02368	0.3
79.05482	0.4
79.20552	0.2
81.03426	1.2
81.07061	0.3
83.01401	0.2
85.02911	1.3
89.03918	100.0
90.04258	1.5
91.34272	0.2
97.02894	0.3
99.04449	5.7
105.07044	0.3
117.03381	44.1
118.03721	0.6
118.06529	0.3
127.03893	1.0
129.04535	0.4
135.04424	0.6
145.02866	1.6
145.04974	0.4
145.06535	0.2
145.10144	0.5
146.06003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81411	0.5
52.43535	0.5
53.03955	4.8
55.01876	2.5
57.03445	1.5
62.92987	1.8
63.02364	0.5
63.41199	0.5
67.05510	1.5
69.03433	4.5
71.01366	1.4
71.05000	7.0
71.48360	0.9
79.05499	2.1
81.03433	3.9
84.99286	0.7
85.02932	4.1
87.00864	1.0
89.03929	7.9
91.05492	15.3
97.02371	0.6
97.02887	2.7
98.21023	0.6
99.04469	19.8
100.04810	0.7
100.07628	0.6
101.02304	0.6
102.06011	0.6
103.05482	3.0
105.07045	73.4
106.07408	1.1
115.03948	1.0
115.05471	9.3
116.06253	2.2
117.03410	2.4
117.07034	28.6
118.07375	0.8
121.96635	3.3
127.03918	3.6
128.06248	5.7
129.07025	11.1
130.07803	42.3
131.08153	1.1
143.08583	10.2
143.09682	0.6
145.03937	1.2
145.05019	2.5
145.06519	3.8
145.10143	100.0
146.06033	1.1
146.10489	2.7
155.06058	2.1
157.07620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
58.99862	3.1
69.92970	3.8
70.99860	13.1
71.99944	0.8
75.86206	0.7
77.00908	2.0
78.52962	1.4
78.65835	0.8
81.03413	2.5
81.04539	2.2
82.01436	1.8
82.99847	14.0
85.02899	1.0
86.03680	1.3
89.00906	3.3
91.05789	0.7
95.06081	1.7
99.19099	0.7
99.53482	0.8
100.02480	1.9
101.00887	90.8
102.00966	3.6
105.31994	0.7
109.33730	0.7
110.01424	0.9
113.00907	1.4
113.53194	0.8
115.02483	0.7
117.84530	0.7
118.03548	0.8
119.01926	100.0
120.02007	4.7
122.53731	0.8
124.02477	2.0
131.01900	3.0
137.03001	7.0
142.03485	2.2
143.01912	6.7
144.10133	0.9
161.02959	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	144.081
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03938	0.6
61.20767	0.3
65.83017	0.3
68.27236	0.3
69.71685	1.6
71.29692	0.3
81.03442	0.3
91.05490	3.7
95.04969	0.4
103.05494	3.3
109.53324	0.3
115.05470	8.5
116.05018	0.8
116.06244	0.5
117.05831	2.5
117.07034	21.5
118.06572	0.8
118.07368	0.5
127.05452	1.0
128.05014	1.9
128.06264	0.7
131.36794	0.3
142.06509	0.9
143.07321	17.4
144.08101	100.0
145.06544	2.3
145.08455	2.4
146.06036	0.8
155.06049	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.2
58.99873	3.5
62.69491	0.8
64.75037	0.6
68.98305	0.7
69.03439	0.8
69.84932	3.7
69.85213	0.8
70.99500	1.0
70.99862	12.1
71.99974	1.0
73.02888	1.1
77.00901	1.3
79.02155	0.7
81.03419	1.2
81.04539	2.0
82.01459	1.2
82.99854	11.6
86.03709	1.0
88.02671	1.0
89.00880	3.3
93.01873	0.7
95.06083	0.8
96.26862	0.7
100.02483	1.9
101.00890	90.8
102.00983	2.7
102.02393	1.6
103.02430	1.1
109.02922	0.9
110.01411	0.8
113.00910	1.3
113.53190	1.2
115.02485	0.8
119.01929	100.0
120.02023	3.6
120.46878	0.6
122.53697	1.0
124.02483	1.4
131.01927	1.9
131.54218	0.9
137.02960	7.0
141.02754	0.8
142.03517	3.2
143.01923	7.6
143.03014	0.9
143.03487	1.0
144.10162	1.1
154.03499	0.9
156.21394	0.7
161.02972	4.6
164.98915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32040	2.2
54.32674	2.2
64.18980	2.6
69.40903	13.5
69.41313	4.8
70.99856	3.5
76.26598	2.2
82.99842	12.9
84.87105	2.6
100.02482	2.5
101.00895	77.6
118.03543	3.9
119.01932	100.0
137.02974	11.9
142.03532	18.6
143.01949	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13298	4.8
62.87537	4.7
68.69382	4.7
70.90378	10.5
77.50661	5.2
82.99840	5.7
90.50311	5.8
101.00881	50.3
114.75298	5.8
119.01940	100.0
124.02448	6.0
137.02968	15.3
137.49985	9.4
142.03517	26.9
160.26038	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30303	6.2
54.43498	7.0
59.93542	7.1
69.48693	36.6
82.99844	11.1
84.30051	5.5
84.59620	5.7
91.58693	6.1
96.64061	5.2
98.21501	10.4
101.00898	66.2
102.11777	5.9
119.01922	100.0
124.06449	5.9
137.02972	18.1
138.00351	7.4
138.15817	5.5
140.33777	6.3
142.03513	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	141.0546
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
51.95010	0.4
53.03933	2.6
55.01870	3.3
55.05517	2.7
57.03434	1.2
57.07063	0.7
58.06580	0.6
60.16635	0.5
65.03941	13.2
67.01871	2.0
67.05505	100.0
68.05838	1.5
68.99801	0.6
69.03440	3.0
69.07072	3.3
70.45369	1.9
71.04998	2.1
73.02918	0.9
79.05491	2.1
79.15546	0.5
80.16788	0.5
81.03424	5.3
81.07054	1.8
83.01344	1.8
83.04980	4.7
85.02898	1.8
85.06566	0.9
95.01330	21.2
95.04967	68.3
95.08598	2.7
96.05289	1.2
97.02902	0.9
97.06535	1.6
99.04491	2.6
109.02907	0.7
111.04436	9.5
113.02364	4.1
113.05991	3.2
123.00797	15.5
123.04428	18.7
141.01831	22.0
141.05464	11.3
142.02089	0.5
142.59880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01875	27.3
55.05519	3.4
56.22371	0.7
57.03428	2.8
65.03958	1.0
66.87261	0.7
67.01849	1.8
67.05508	10.0
67.93564	0.9
69.22189	6.4
71.04990	2.5
72.72190	0.7
79.05481	2.3
81.03411	7.2
81.07063	8.7
83.08590	0.8
85.02923	3.0
85.06561	1.8
95.01332	1.9
95.04980	4.3
95.08620	7.5
96.04462	0.7
97.02893	2.0
97.06537	100.0
98.06867	1.7
99.04425	0.8
99.08146	1.3
109.02882	13.0
111.00780	1.1
113.02380	9.9
123.04443	1.8
123.08086	2.8
123.11722	1.1
126.03153	1.2
141.01840	11.9
141.05455	3.8
141.07014	2.8
141.09119	3.9
142.08617	1.0
146.61359	0.6
158.99437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.1
53.03947	1.5
55.01894	0.8
55.05505	1.2
57.03439	2.0
58.35061	0.7
64.48642	0.7
67.01870	6.7
67.05507	7.3
68.47578	0.7
68.99790	1.1
69.03427	2.7
69.20252	1.2
69.20656	6.4
71.01347	1.8
71.05005	0.9
79.05474	0.7
81.03428	3.7
81.07059	2.1
85.02898	3.0
95.01337	97.2
95.04977	5.5
95.08632	3.8
96.01665	1.5
97.02901	2.4
97.06518	1.1
99.04453	1.0
103.51981	0.7
109.02905	3.6
113.02378	7.2
123.00800	77.4
123.04449	1.8
124.01131	1.4
141.01839	100.0
141.05486	2.4
142.02188	1.4
148.84976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0183
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
51.08240	0.6
53.00296	2.4
55.01875	0.8
55.05492	1.0
57.03436	2.2
65.03934	1.1
67.01857	5.3
67.05499	6.4
68.99800	1.1
69.03426	2.8
69.88322	1.1
69.88729	3.1
71.01357	1.0
71.04987	1.8
79.05501	1.3
81.03416	2.1
81.07053	2.1
85.02906	2.8
95.01331	100.0
95.04973	6.3
95.08611	3.1
96.01656	1.6
97.02885	1.7
98.21474	0.8
105.34908	0.7
109.02888	3.0
111.00826	1.1
113.02351	6.4
123.00793	74.8
123.04400	1.9
123.08096	0.7
124.01168	0.9
124.56439	0.8
133.17538	0.7
141.01826	95.2
141.05414	2.2
142.02136	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.01574	2.3
51.02386	4.8
53.00298	3.7
53.03723	2.5
53.03950	37.2
55.01860	7.9
55.05513	22.4
56.96570	2.7
57.03426	2.1
65.03938	29.4
67.05511	11.6
68.02650	39.7
68.99767	4.7
69.03417	6.4
69.17686	5.0
69.18089	19.9
71.04996	55.2
79.01855	31.0
79.05496	54.1
80.02651	3.0
81.03429	17.1
81.07067	10.9
83.04984	100.0
85.02906	2.3
92.23827	2.5
93.03396	14.9
93.07050	9.4
95.04967	21.0
95.08604	3.5
97.02878	5.5
97.06534	6.6
98.97578	6.1
98.98493	7.5
105.04502	5.4
107.01335	8.2
107.04961	6.8
109.02918	11.0
109.06525	6.4
111.04443	75.2
111.08077	5.3
112.04758	2.9
116.98615	4.0
121.02881	8.7
121.03996	3.9
121.06524	3.1
131.01436	2.4
139.03912	81.4
139.04936	3.2
139.07536	13.2
139.11223	3.1
159.53819	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	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03955	26.5
55.01867	11.2
55.05518	28.4
56.96563	10.5
57.93557	3.5
65.03950	55.6
67.05505	22.8
68.02656	21.7
68.99780	2.9
69.03423	10.9
69.07044	6.2
69.65936	15.7
71.04996	35.8
79.01862	17.6
79.05080	3.6
79.05500	51.4
80.02670	2.8
81.03419	15.5
81.07059	12.4
82.37301	2.5
83.04987	76.8
91.05493	10.6
93.03414	29.7
93.04539	3.7
93.07050	23.9
95.04977	43.8
95.08602	6.1
97.02888	7.6
97.06537	13.1
98.97597	22.1
98.98476	29.3
105.04511	10.3
105.07034	2.7
107.01334	5.8
107.04952	7.1
109.02859	8.5
109.06530	5.4
111.04449	100.0
111.08077	6.2
112.04774	2.4
116.97215	3.9
116.98676	13.3
121.02899	18.4
121.03989	8.2
121.06497	7.2
121.10185	7.3
134.99651	3.7
135.43050	2.3
139.01581	3.1
139.03940	55.0
139.05020	6.6
139.06625	3.4
139.07552	18.2
139.11197	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	139.0755
Annotation	4-(Methoxymethyl)phenol
Peak:m/z	Relative Intensity
51.02384	2.6
53.00301	1.0
53.03951	20.1
53.82582	1.1
55.01864	4.8
55.02096	1.0
55.05516	14.4
56.96558	4.1
57.03421	1.4
59.04996	3.2
65.03947	28.0
67.05512	17.4
68.02650	6.3
68.99792	2.2
69.03429	8.4
69.07063	4.9
70.45607	3.6
71.01376	1.2
71.04990	4.0
77.03924	3.8
79.01856	5.7
79.05498	100.0
80.05837	2.1
80.06245	1.5
81.03437	5.0
81.07061	12.1
83.04990	22.1
85.02901	1.4
91.05480	5.1
93.03413	15.8
93.04491	2.7
93.07044	11.5
94.16675	1.1
95.04973	32.9
95.08598	4.2
96.05753	2.6
97.02889	3.0
97.04812	1.8
97.06548	7.1
98.97598	6.5
98.98475	12.9
103.05470	1.1
105.04525	9.3
107.04961	14.5
109.02911	2.3
109.06529	11.3
111.04451	41.0
111.08083	12.7
111.69696	1.0
116.97226	2.0
116.98635	2.9
121.02901	8.5
121.03970	6.1
121.06511	5.2
121.10131	2.9
123.04370	1.3
124.05215	2.2
125.02410	1.3
139.03940	22.9
139.04953	1.7
139.05923	7.1
139.07533	20.1
139.11185	2.9
140.03386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03955	2.5
53.04221	0.7
55.01890	1.3
55.05516	6.0
56.52566	0.7
57.07081	6.4
65.03950	1.7
66.04729	2.7
66.11057	0.7
67.05510	40.4
68.05853	0.7
69.03432	1.5
69.07081	5.6
69.83868	4.0
70.90470	0.7
71.08622	0.7
75.67049	0.8
79.05506	13.3
81.03445	1.0
81.07062	72.8
82.07399	1.0
91.05485	14.9
93.07057	12.3
94.04196	17.7
95.04971	2.7
95.08614	100.0
96.08924	1.5
107.08634	1.6
109.06550	4.2
109.10163	7.9
110.06068	0.8
119.04991	1.3
119.08598	3.4
122.03656	22.0
122.07285	1.0
137.02425	3.3
137.05978	30.9
137.09627	16.8
137.10616	0.9
137.13254	8.7
138.05466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.62974	0.7
53.03934	3.3
55.01869	1.0
55.05524	3.9
57.07084	10.8
59.07805	0.8
65.03933	2.4
66.04729	7.2
67.05512	22.8
69.07075	4.8
69.94194	1.5
69.94580	2.3
79.05505	12.5
79.34264	0.9
81.03420	1.3
81.07067	47.0
91.05497	10.4
93.07056	6.6
94.04199	50.0
95.04988	2.0
95.08619	65.1
96.08971	1.6
98.55978	0.8
107.04970	2.7
107.08596	0.8
109.06520	3.2
109.10181	8.2
119.04950	1.7
119.08517	0.8
121.06581	0.8
122.03664	72.8
122.07305	1.6
123.04012	1.4
134.96161	0.8
135.04436	0.8
137.02409	2.8
137.05994	100.0
137.09653	2.4
137.13286	9.6
138.06345	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02386	0.9
53.03938	2.9
53.75929	0.8
55.01862	1.2
55.05519	4.5
57.07073	10.1
59.75162	0.7
65.03927	2.8
66.04726	6.8
67.05505	22.6
68.15110	0.8
69.07066	4.5
69.40007	6.2
77.03926	1.8
79.05492	12.8
81.03391	1.8
81.07060	40.3
81.15445	0.8
91.05486	10.1
93.07038	6.0
94.04189	51.2
95.04979	1.6
95.08610	67.0
96.08959	0.8
98.20661	1.0
98.24238	0.8
105.03404	0.8
107.04962	2.9
107.08606	1.1
109.06522	3.4
109.10167	9.6
110.28389	0.8
119.04941	1.7
119.08591	1.3
122.03651	69.8
122.07209	1.6
123.03979	1.8
135.04364	1.1
137.02460	2.4
137.05981	100.0
137.09584	4.0
137.13239	9.6
138.05426	1.2
138.06357	2.1
146.97829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02369	1.4
53.03946	6.7
55.01868	4.2
55.05509	22.7
57.03428	1.4
65.03947	7.3
66.04732	7.1
67.05507	70.6
68.05837	1.5
69.03429	15.0
69.07064	3.5
70.60230	3.1
71.04958	1.0
77.03925	1.5
79.05498	18.0
81.03413	6.6
81.07056	35.6
91.05483	28.7
93.07041	13.4
94.04186	46.1
94.04793	2.3
94.06564	1.0
94.07840	1.4
95.04984	9.5
95.08611	27.5
105.03445	1.4
105.04493	1.9
107.04961	4.6
107.08615	3.1
109.02865	1.2
109.06516	14.6
109.10160	21.9
109.10886	0.7
111.08065	4.3
117.07004	1.4
119.04932	3.4
119.06055	1.8
119.08583	5.9
121.06448	1.1
122.03652	61.7
122.07285	10.1
135.04387	1.6
137.02399	7.6
137.03517	3.2
137.05977	100.0
137.09608	33.4
137.13174	1.1
138.05450	1.9
138.06380	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03953	3.5
55.01869	1.0
55.05500	2.0
65.03938	2.2
66.04721	5.2
67.05506	29.0
69.03435	2.4
69.07061	1.1
71.33392	1.3
77.03920	1.5
79.05495	8.7
81.07063	11.5
82.98869	0.7
87.87701	0.7
91.05489	17.0
93.07050	4.9
94.04192	31.6
94.04793	1.6
94.07820	1.4
95.04985	2.6
95.08617	6.2
100.00444	0.7
103.05481	1.6
104.06262	1.4
105.04517	1.3
107.04965	24.2
107.08586	0.9
109.06519	2.4
109.10164	33.6
116.39574	0.7
117.07038	3.0
119.08587	16.9
121.06512	10.2
122.03658	41.4
122.07293	100.0
123.07661	1.0
135.08087	3.7
137.02411	1.1
137.05991	62.5
137.09621	85.4
138.06366	1.0
138.09946	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	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03946	2.2
55.05513	6.8
57.06794	0.6
57.07079	11.3
65.03938	1.5
67.05508	29.0
67.58172	0.4
68.05851	0.4
69.07077	6.4
70.54717	1.1
71.08634	0.7
79.05497	10.6
79.69448	0.4
81.03425	1.0
81.07059	70.5
81.58030	0.4
82.07377	1.1
82.08183	0.4
91.05482	5.0
93.07048	8.2
94.04182	2.3
95.04974	3.4
95.08611	100.0
96.08949	1.8
99.68806	0.5
107.08592	1.7
108.09332	0.6
109.06514	1.3
109.10162	7.6
119.04975	0.9
119.08575	1.2
122.03658	2.8
122.07301	0.9
122.41274	0.4
137.02441	2.5
137.03342	0.4
137.04584	0.6
137.05952	5.5
137.09613	4.4
137.13260	9.6
138.05489	0.8
138.13594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	3.5
55.01877	1.3
55.05494	0.6
56.06496	0.5
65.03948	2.7
66.04724	6.8
67.05505	7.7
69.03414	1.1
69.07055	0.6
69.28893	5.0
69.29221	0.7
71.87489	0.5
72.59966	0.5
76.41022	0.5
77.03910	1.1
79.05495	8.6
81.03406	1.8
81.07054	8.4
91.04912	0.9
91.05486	18.7
92.05843	0.6
93.07043	7.9
94.04189	46.6
95.04995	4.0
95.08607	2.0
105.03418	1.0
105.04539	1.3
107.04960	2.2
107.08590	1.0
109.06515	3.0
109.10159	2.5
112.05894	0.6
119.04925	2.0
119.08583	2.4
122.03653	63.6
123.03943	0.7
137.05980	100.0
137.09596	6.4
138.06287	1.8
146.42703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	0.9
65.03938	2.0
66.04726	6.2
67.05497	2.5
70.79762	1.2
70.80099	0.9
77.03893	1.4
79.05508	5.1
81.03449	0.6
81.07054	4.2
91.05490	7.0
93.07045	1.8
94.04189	46.9
95.04458	0.6
95.04964	1.6
95.08640	0.6
105.03384	1.1
105.04520	0.7
107.04940	2.1
108.61417	0.5
109.06528	1.8
118.56690	0.5
122.03651	69.0
123.04003	1.0
132.64201	0.7
137.05981	100.0
137.09550	1.4
138.06332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
51.02367	0.7
52.66941	0.4
53.03939	1.2
55.01890	0.4
65.03936	1.9
66.04722	6.8
67.05499	1.8
69.03432	0.6
70.87440	0.4
71.34068	0.6
72.31520	0.4
77.03934	0.8
79.05499	4.8
81.03452	0.4
81.07064	4.4
91.05484	5.0
94.04188	48.8
95.04459	0.7
95.04997	0.9
95.08639	2.0
105.03399	0.8
107.04960	2.0
109.06510	1.2
122.03649	68.6
122.07286	1.4
123.03980	2.1
135.04401	0.9
137.05978	100.0
137.09596	1.2
138.06332	2.4
143.23341	0.5
150.84598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02391	0.8
53.03949	2.6
55.01885	2.3
55.05535	1.5
61.10975	0.5
65.03945	2.7
66.04729	8.6
67.05516	7.3
70.54420	1.6
76.39103	0.5
77.03936	1.0
78.33827	0.5
79.05498	7.8
81.03432	1.7
81.07065	7.8
91.05486	9.7
92.05840	0.6
93.03446	0.7
93.07047	2.9
94.04196	56.1
95.04527	0.6
95.05013	4.2
95.08607	4.6
105.03409	0.7
105.04528	0.9
107.04966	2.3
109.06529	3.6
109.10189	2.1
119.04951	1.5
119.08579	1.0
122.03661	70.3
122.07231	1.1
123.03986	1.3
135.04372	0.8
137.02444	2.4
137.05988	100.0
137.09573	4.6
138.01764	0.7
138.05443	0.8
138.06337	1.9
139.62621	0.6
139.80956	0.7
158.63921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.7
53.03954	1.3
53.38156	0.2
55.01873	0.8
57.30119	0.2
57.87091	0.2
65.03939	1.9
66.04723	7.6
67.05495	0.8
69.03420	0.4
69.37464	1.6
77.03914	1.4
78.28318	0.2
79.05493	4.6
81.03424	0.4
81.07057	2.3
91.05480	4.4
93.03444	0.3
94.04189	53.2
95.04494	0.6
95.04980	1.0
95.08591	0.3
105.03391	0.9
105.04485	0.6
107.04951	2.3
109.06532	1.1
115.49031	0.2
119.04972	0.4
122.03651	73.4
123.03966	1.2
135.04443	0.9
137.05980	100.0
138.06326	2.2
139.09752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.54074	1.0
53.03951	7.0
55.01866	1.0
55.05509	9.0
57.07064	1.1
63.82721	0.9
65.03938	2.9
67.05494	3.2
69.07060	3.3
69.62956	4.7
71.83210	0.9
77.03914	1.0
79.05075	1.6
79.05496	24.9
81.07047	3.8
89.03910	3.8
91.05484	44.9
92.06299	1.0
93.07050	46.0
94.07857	1.3
95.04971	6.8
95.08611	1.1
96.18725	1.1
103.05456	3.2
105.04517	3.4
105.07040	24.6
106.07796	1.2
107.04970	5.5
107.08598	100.0
108.08935	1.5
109.06523	5.1
115.05489	1.2
117.03379	2.0
117.07024	1.1
119.06047	4.5
119.08590	8.4
120.05710	1.3
120.09344	4.3
135.04446	5.4
135.08043	3.6
135.11700	17.5
136.02171	6.2
136.06175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.33358	1.7
52.20001	1.7
53.03748	1.9
53.03952	21.4
55.01866	4.4
55.05515	15.1
61.22318	1.8
65.03943	5.9
67.05499	6.6
69.07064	3.8
71.49398	2.5
77.03912	4.3
79.05505	73.8
81.03413	4.0
81.07054	5.9
84.50383	1.9
89.03934	25.4
91.04915	2.8
91.05489	69.3
93.07051	88.4
94.04183	2.1
95.04982	17.5
103.05466	3.6
105.04549	8.7
105.07039	28.0
107.04294	3.3
107.04960	32.2
107.08602	100.0
109.06517	5.4
115.05471	5.7
117.03403	10.1
117.07018	5.1
119.05090	1.4
119.06065	7.0
119.08580	14.9
120.09345	3.9
133.10152	2.1
135.04427	34.7
135.08087	24.0
135.11716	32.1
136.02176	16.5
136.03935	2.1
136.05206	2.0
136.06174	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.71161	1.0
53.03955	4.8
53.83229	0.8
55.05515	11.2
60.72114	1.0
65.03932	2.7
67.05514	4.7
69.07066	4.9
71.45449	1.7
77.03929	2.0
79.05499	22.4
81.07046	4.6
83.56109	0.9
87.88297	0.9
91.05489	40.9
93.07053	66.4
95.04977	5.5
95.08593	1.2
105.04533	3.2
105.07042	16.0
107.04930	1.1
107.08604	100.0
108.08940	1.4
109.06536	4.9
117.07016	1.1
119.06055	4.5
119.08595	7.1
120.09376	2.1
135.04419	2.1
135.11703	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03954	7.3
55.01881	0.9
55.05518	9.2
57.07069	0.7
65.03945	2.3
67.05510	3.4
69.07083	3.9
71.01579	0.9
73.42849	0.6
77.03940	2.6
79.05504	28.4
81.03419	0.9
81.07063	4.5
85.60213	0.7
89.03934	9.1
91.05492	37.3
93.07056	57.9
94.07339	0.7
94.07857	1.1
95.04984	4.6
103.05516	0.7
105.04548	3.6
105.07045	15.3
105.57720	0.7
107.04986	5.3
107.08611	100.0
108.08981	0.9
109.06526	4.2
117.03396	3.2
117.07054	1.5
118.72409	0.6
119.06114	3.2
119.08595	6.4
120.09380	1.6
135.04443	10.3
135.08070	12.1
135.10716	1.3
135.11707	18.0
136.02197	2.2
136.06218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03955	10.4
55.01889	1.5
55.05516	8.2
55.62844	1.2
57.99105	1.3
65.03927	4.1
65.25297	1.4
67.05498	4.1
69.07054	3.9
69.85296	5.9
77.03930	2.5
78.58807	1.3
79.05497	34.2
81.03405	1.3
81.07047	2.8
89.03938	9.3
91.05489	70.2
93.07050	53.3
93.07642	2.8
95.04994	7.6
98.20827	2.1
105.04517	3.9
105.07034	30.1
106.07843	2.2
107.04973	8.4
107.08601	100.0
108.08923	1.8
109.06516	7.7
115.05450	5.4
117.03407	3.7
117.07016	6.1
119.06078	8.1
119.08590	26.4
120.09366	8.1
133.10141	2.3
135.04402	7.3
135.08067	23.3
135.10721	2.4
135.11700	35.5
136.02145	2.7
136.06213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02385	0.7
53.03716	0.7
53.03947	5.2
53.75897	0.6
56.10362	0.6
63.02375	5.0
69.84685	4.1
77.03931	1.3
79.05030	0.9
79.05491	16.5
89.03918	100.0
95.04972	4.5
96.70547	0.7
103.87010	0.8
105.04504	2.1
107.04945	15.8
117.03383	37.5
118.03761	1.0
131.03763	0.8
135.04416	60.2
136.04805	0.8
153.03844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03754	0.8
53.03953	9.3
54.96945	0.9
55.01867	3.6
55.05516	13.8
59.96182	1.0
65.03931	4.1
67.05510	49.3
69.07072	9.9
69.50672	7.6
72.93349	1.1
77.03920	2.1
79.05499	76.3
80.05811	1.4
81.07063	32.6
87.54102	1.0
89.03918	3.0
91.05486	38.7
93.07050	100.0
94.07338	1.3
94.07851	1.5
95.04980	8.1
98.20826	1.4
105.04517	4.6
105.07033	13.6
107.04956	11.4
107.08602	65.3
108.08883	1.1
109.01085	1.8
109.06544	1.9
115.05465	4.1
117.03390	1.4
117.07017	2.6
119.06109	1.6
119.08572	7.6
120.09373	1.9
133.10155	2.1
135.04466	10.5
135.05437	2.6
135.08084	12.5
135.11696	50.2
136.02173	18.8
136.03896	1.4
136.06177	11.8
143.09140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02380	1.4
53.03754	0.8
53.03953	9.3
54.96945	0.9
55.01867	3.6
55.05516	13.8
59.96182	1.0
65.03931	4.1
67.05510	49.3
69.07072	9.9
69.50672	7.6
72.93349	1.1
77.03920	2.1
79.05499	76.3
80.05811	1.4
81.07063	32.6
87.54102	1.0
89.03918	3.0
91.05486	38.7
93.07050	100.0
94.07338	1.3
94.07851	1.5
95.04980	8.1
98.20826	1.4
105.04517	4.6
105.07033	13.6
107.04956	11.4
107.08602	65.3
108.08883	1.1
109.01085	1.8
109.06544	1.9
115.05465	4.1
117.03390	1.4
117.07017	2.6
119.06109	1.6
119.08572	7.6
120.09373	1.9
133.10155	2.1
135.04466	10.5
135.05437	2.6
135.08084	12.5
135.11696	50.2
136.02173	18.8
136.03896	1.4
136.06177	11.8
143.09140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03947	10.9
54.32472	0.9
55.01867	1.8
55.05507	2.0
58.59988	1.0
63.02362	4.0
65.03944	1.9
67.05506	5.2
69.07040	1.2
70.55623	3.3
77.03926	1.7
77.85080	0.9
78.04715	0.8
79.05496	36.7
81.07049	3.0
89.03922	100.0
90.04265	1.7
91.05484	19.0
93.07047	22.6
95.04971	6.8
105.04508	4.7
105.07026	6.4
107.04959	23.4
107.08590	20.2
109.06516	1.5
115.05446	2.1
117.02534	1.8
117.03379	36.0
117.07061	2.5
119.06104	1.1
119.08587	2.5
135.04419	58.6
135.08058	10.8
135.11684	10.1
136.02184	12.0
136.04858	1.3
136.06186	5.3
136.07544	1.9
145.03911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02367	0.7
53.03954	3.7
54.04533	0.6
55.01887	0.9
55.05513	3.0
55.44296	0.6
65.03934	1.4
67.05504	1.3
68.34866	0.8
69.40002	5.0
77.03925	2.1
79.05499	17.3
81.66434	0.6
83.47206	0.6
90.04700	0.7
91.05485	29.4
92.05812	0.8
93.07045	6.7
95.04965	3.3
100.61420	0.6
103.05463	10.2
104.79355	0.6
105.03417	2.1
105.04525	1.6
105.07036	98.7
106.07377	1.9
107.08596	1.5
113.51920	0.8
115.05453	10.3
116.06234	1.3
117.07030	10.4
118.04144	1.1
118.07800	9.0
129.06984	0.7
131.08571	9.6
133.02831	1.1
133.06506	10.2
133.10136	100.0
134.10449	2.4
134.28731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03936	1.9
55.02422	0.5
55.05498	2.3
61.44315	0.5
65.03923	0.6
67.05492	0.8
70.60675	1.0
70.61039	1.0
77.03926	1.5
79.05492	9.5
84.27212	0.5
86.23330	0.6
91.05481	24.3
93.07045	6.2
95.04976	1.4
103.05475	5.3
104.06308	0.6
105.03397	0.6
105.04513	1.0
105.07034	65.7
106.07391	1.2
107.08614	1.6
115.05459	7.5
116.06244	1.6
117.07024	11.0
117.07861	0.6
118.07807	11.1
129.07042	0.8
131.08572	7.5
133.06552	3.1
133.10133	100.0
134.10449	3.0
145.37901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02390	0.3
53.03947	1.7
55.05512	4.5
64.77869	0.3
65.03944	0.7
65.97564	0.3
67.05499	1.5
67.64877	0.3
69.83286	0.3
69.89718	0.9
69.90132	0.9
77.03918	0.6
79.05491	6.9
81.07050	0.3
91.05482	29.6
93.07049	1.5
95.04974	0.7
98.21476	0.4
103.05465	3.0
105.07031	100.0
106.07376	1.6
115.05437	2.0
116.06213	0.5
117.07015	1.8
118.07795	1.8
131.08571	4.6
133.02811	0.4
133.06490	2.8
133.07486	0.6
133.10129	23.6
133.21954	0.4
134.06017	0.3
134.10480	0.7
143.27664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.47837	0.4
51.02382	0.6
53.03949	4.7
55.01871	1.9
55.05516	2.8
65.03940	1.2
67.05497	0.9
69.65949	0.8
69.66368	1.9
77.03937	2.8
79.05493	22.3
82.76986	0.4
88.80676	0.4
90.04681	0.6
91.05483	23.2
92.06255	0.5
93.07049	5.3
95.04963	3.9
98.21537	0.5
103.04910	0.3
103.05468	15.3
105.03442	2.2
105.04574	2.6
105.07033	100.0
106.07375	1.6
107.08586	1.3
110.67993	0.5
115.05454	9.0
116.06239	1.3
117.07022	8.2
118.04156	1.2
118.07805	7.7
129.06989	0.7
131.08569	8.6
133.02863	1.3
133.05484	0.8
133.06503	19.4
133.10130	71.7
134.10439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02383	1.2
51.60284	0.4
53.03952	3.1
55.01869	1.4
55.05515	2.6
56.96568	0.6
57.05475	0.5
65.03928	0.9
67.05506	0.8
70.80501	1.3
72.77599	0.4
77.03931	1.7
79.05496	14.8
91.05486	30.2
93.07047	6.0
95.04972	3.0
101.05653	0.4
103.05478	8.2
104.06243	0.5
105.03410	1.6
105.04515	1.7
105.07036	90.2
106.07384	2.1
107.08576	1.4
115.05460	9.4
116.06244	1.5
117.07027	10.6
118.04132	1.2
118.07816	10.2
118.08600	1.0
120.95804	0.5
129.07002	1.4
131.08572	10.0
133.02853	1.9
133.06512	14.1
133.10136	100.0
134.10477	2.2
135.91278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03946	1.0
54.08780	0.3
55.01875	0.4
55.05512	0.6
65.03931	0.5
66.82471	0.3
67.05521	0.6
77.03936	0.7
79.05499	5.7
91.05488	20.4
92.05797	0.4
92.10340	0.3
93.07043	0.8
95.04984	0.6
103.05476	4.1
104.06282	0.4
105.03417	1.2
105.07040	100.0
106.07364	2.0
115.05457	1.4
117.07032	1.5
118.07834	1.0
124.63468	0.3
131.08574	3.5
133.02858	0.4
133.06502	4.0
133.07587	1.0
133.10144	17.5
134.10497	0.6
136.90549	0.3
142.89822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02386	1.1
53.03952	4.6
54.85555	0.5
55.01876	2.5
55.05506	1.9
56.96564	0.7
65.03953	0.8
67.05509	0.7
71.49528	0.5
77.03918	2.3
79.05501	27.3
80.05807	0.6
81.03438	0.7
91.05491	21.0
93.07047	3.7
95.04988	4.9
101.88937	0.5
103.05480	19.7
105.03424	4.0
105.04546	2.6
105.07043	100.0
106.07402	1.9
107.08627	1.4
115.05463	8.0
116.06261	1.3
117.07060	5.1
118.07824	6.6
131.08595	5.9
133.02863	1.8
133.05487	0.9
133.06506	16.8
133.10144	61.1
134.10558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02379	1.0
53.03942	2.6
55.01868	1.1
55.05515	3.1
65.03945	0.7
67.05500	1.3
70.93079	0.4
71.48792	0.7
77.03919	2.4
77.17348	0.5
77.82481	0.4
79.05495	13.7
85.25296	0.4
88.02231	0.4
91.05482	28.7
92.05788	0.6
93.07048	6.1
95.04960	3.1
103.05476	9.0
105.03417	2.9
105.04525	1.2
105.07034	100.0
106.07359	2.1
107.08592	1.3
111.75732	0.4
115.05456	7.7
116.06226	1.5
117.07018	8.0
118.04158	1.8
118.07806	9.3
123.52988	0.4
129.07019	0.8
131.08571	9.2
131.09540	0.6
133.02887	2.6
133.05492	0.8
133.06503	16.6
133.10135	74.0
134.10483	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.4
51.02384	4.2
51.03011	0.5
53.03949	14.8
55.01870	4.9
55.05515	0.8
56.34667	0.6
61.62115	0.6
65.03934	0.7
67.05489	1.5
69.77960	3.3
77.03928	10.8
77.24866	0.6
79.05496	25.1
79.91245	0.7
81.03411	2.5
81.61948	0.6
89.03898	0.7
90.04691	1.7
91.05481	7.8
95.04973	13.5
101.03102	0.8
103.05476	16.3
105.03399	57.4
105.04453	8.2
105.07034	100.0
106.07378	1.2
107.04980	1.0
107.27625	0.7
115.05449	6.0
118.04173	6.4
123.04440	4.0
123.49155	0.6
131.04906	1.4
131.08627	1.0
133.02859	14.8
133.03969	4.1
133.06497	64.1
133.10130	7.8
134.06816	1.1
135.97940	0.6
154.96031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03709	0.5
53.03949	5.9
55.01879	3.7
55.05514	2.2
59.53743	0.4
61.98287	0.4
62.81620	0.3
62.87480	0.3
65.03935	0.8
67.05492	0.5
70.53886	0.6
77.03926	3.3
79.05500	35.7
81.03434	0.5
85.76646	0.4
90.04720	0.4
91.05489	16.9
92.05803	0.4
93.07048	3.5
95.04982	4.7
96.69295	0.3
99.16727	0.4
103.05477	20.1
104.05722	0.3
105.03434	2.6
105.04550	3.2
105.07040	100.0
106.06718	0.4
106.07339	1.9
107.08638	0.5
107.78871	0.4
113.98351	0.4
115.05465	7.3
116.06225	0.8
117.07040	5.4
118.04165	1.6
118.07806	6.3
131.04973	0.6
131.08585	5.5
133.02879	1.2
133.06506	32.4
133.10143	49.2
134.06856	0.7
134.10449	1.2
134.61250	0.4
145.57184	0.4
154.15541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01598	0.9
51.02385	3.2
53.03952	10.4
55.01875	4.3
56.82676	0.4
65.03948	0.4
67.47234	0.3
69.77824	1.3
69.78229	0.7
70.84250	0.3
77.03934	10.0
79.05498	21.9
80.77158	0.4
81.03424	1.6
84.18826	0.3
91.05482	3.2
95.04967	9.9
103.05476	14.2
103.06160	0.8
105.03401	50.7
105.04453	5.2
105.07035	100.0
106.03728	1.1
106.07368	1.6
107.04958	1.2
109.99229	0.4
115.05465	6.0
123.04427	3.6
128.80208	0.4
131.04924	1.7
132.05704	0.5
133.02864	11.6
133.03983	4.0
133.06499	80.3
133.10054	1.8
134.06828	1.8
143.06071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	0.5
53.03946	3.2
55.01873	3.0
55.05502	0.7
69.95924	1.6
77.03931	2.7
79.05495	16.6
91.05481	6.2
93.07050	0.7
95.04977	3.2
103.05475	13.4
105.03413	4.8
105.04530	1.8
105.07032	100.0
106.07373	1.5
107.04953	1.4
108.09387	0.4
115.05455	6.1
116.06352	0.4
117.07030	1.8
118.04163	0.6
118.07787	0.8
121.62682	0.3
123.04420	0.4
131.04965	2.3
131.08583	1.1
133.02852	1.5
133.06496	75.0
133.10130	11.3
134.06848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03947	4.0
54.54755	0.2
55.01877	0.2
63.61829	0.1
69.33722	1.4
70.03754	0.3
77.03928	1.2
81.03439	0.4
91.05479	1.9
95.04974	3.7
102.04666	1.2
103.05467	100.0
104.05806	1.9
105.04506	1.9
113.07949	0.6
116.06240	0.7
118.69701	0.2
129.06976	0.3
131.04933	10.1
131.08546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03952	3.9
55.01868	0.3
56.96582	0.2
69.03429	0.2
71.10144	0.4
75.25550	0.2
77.03927	1.3
81.03415	0.4
85.08474	0.3
91.05490	3.4
95.04977	3.6
102.04700	1.2
103.05476	100.0
104.05802	1.7
105.04518	2.0
113.07962	0.5
115.05440	0.2
116.06243	1.1
129.07019	0.4
131.04942	10.3
131.06952	0.4
131.08569	2.9
132.05296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
56.15415	0.6
57.87236	0.6
58.29998	0.5
65.03929	1.1
70.03766	1.0
71.49306	0.7
74.30560	0.6
83.60062	0.6
84.04497	0.8
85.04839	2.0
85.08480	3.5
86.09721	0.8
88.28135	0.6
91.05485	100.0
92.05812	1.9
103.04806	1.2
103.05476	19.4
104.05858	0.6
105.07041	1.3
113.07945	2.1
114.39663	0.5
115.05463	8.1
116.06255	23.6
116.43849	0.6
117.06573	0.8
128.06239	2.0
129.07016	14.7
130.07372	0.6
131.04933	4.5
131.06891	3.6
131.08571	78.4
132.08038	1.9
132.08922	1.7
143.06029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63172	0.5
53.03943	1.6
57.07068	0.5
57.69714	0.6
58.50399	0.5
58.77097	0.6
61.61231	0.6
69.21185	5.9
70.45506	0.5
84.04518	0.7
85.04841	1.6
85.08477	3.3
86.09698	0.8
91.05487	100.0
92.05833	1.6
98.21478	1.2
103.05470	15.2
104.49128	0.6
105.07053	1.2
111.46656	0.5
115.05455	9.7
116.06248	28.0
119.51881	0.6
128.06242	2.4
129.07014	16.7
130.07329	0.7
131.04965	3.0
131.06902	2.8
131.08572	77.8
131.16315	0.8
132.08063	1.3
132.08931	1.9
133.06503	1.0
143.06122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
51.58946	0.2
53.03952	4.4
55.01857	0.4
56.96562	0.9
57.03440	0.7
61.35494	0.2
61.99541	0.2
63.28524	0.2
64.71556	0.3
69.03423	0.3
70.03745	0.5
70.54987	0.7
77.03929	1.1
79.05487	0.6
81.03406	0.6
85.02909	0.3
85.04829	0.5
85.08476	0.7
91.05492	2.4
92.47141	0.3
95.04977	3.0
99.08479	0.3
100.01874	0.3
102.04669	1.4
103.05476	100.0
104.05800	2.1
105.04523	2.2
109.02287	0.3
113.07935	1.9
115.05468	0.5
116.06268	0.4
117.05770	0.6
129.06969	0.5
131.04944	12.8
131.05971	0.6
131.06885	1.4
131.08527	1.5
132.08102	1.0
144.46892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03709	0.3
53.03949	3.8
63.44691	0.2
71.42645	0.2
71.42980	0.3
72.69432	0.2
77.03927	1.5
81.03444	0.3
91.05527	0.4
95.04975	3.3
102.04697	1.1
103.05470	100.0
104.05812	1.8
105.04521	2.2
113.40855	0.2
131.04933	10.3
131.08533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03954	3.9
70.59779	0.4
77.03931	1.5
81.03433	0.3
85.08533	0.2
85.62383	0.1
91.05498	3.2
95.04983	3.1
98.21284	0.3
102.04694	1.1
103.05480	100.0
104.05804	1.9
105.04520	1.8
105.05157	0.2
113.07980	0.2
115.05470	0.2
116.06282	0.8
125.02890	0.2
129.07001	0.5
131.04944	11.0
131.08572	2.0
132.05266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0548
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
53.03939	2.6
55.01866	4.5
55.05515	6.0
57.03159	1.9
57.03441	36.8
59.05000	2.0
68.99792	2.2
69.03439	7.8
69.07051	2.2
69.97597	5.2
69.97891	1.1
71.01346	1.6
71.04999	100.0
72.05329	1.4
81.03408	1.0
83.01345	1.5
83.04985	11.6
84.04510	7.0
84.08154	9.0
84.87792	1.0
85.02913	56.6
87.00830	2.3
87.04469	3.1
97.02919	0.9
99.04434	1.5
111.00788	1.7
111.04446	8.4
112.07609	14.1
128.06235	14.6
129.01852	31.3
129.05510	10.2
129.07018	9.1
130.06538	7.1
130.08638	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
50.95645	0.2
51.02377	0.6
53.03716	0.2
53.03948	3.8
55.01873	0.2
65.02850	0.2
71.42803	0.3
77.03930	1.5
81.03403	0.3
85.08479	0.3
91.05481	1.5
95.04970	3.6
102.04691	1.1
103.05468	100.0
104.05800	1.6
105.04516	1.9
108.32861	0.2
113.07942	0.7
115.05529	0.2
116.06243	0.4
131.04935	11.0
131.08543	1.3
132.05247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.59157	1.5
53.03951	28.3
55.01871	12.8
55.05494	1.8
57.03439	4.0
58.23399	1.7
63.96070	1.5
69.03432	21.1
69.98306	7.4
71.01348	1.7
71.05000	32.0
71.15945	1.6
80.95679	1.4
81.02998	2.4
81.03426	33.5
82.64803	1.5
83.01344	5.5
83.04982	2.2
85.02915	24.6
96.65752	1.5
97.02895	83.6
99.03851	2.8
99.04462	34.8
103.85243	2.0
109.02890	40.3
127.03924	100.0
128.04286	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	127.0393
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00296	3.0
53.03952	34.9
55.01876	13.5
55.05500	1.6
57.03432	5.7
69.03437	26.6
70.82951	4.4
71.04998	35.8
81.03426	32.3
81.07060	2.7
83.01352	6.9
83.04993	3.8
85.02912	34.6
97.02904	96.8
99.04469	37.7
109.02888	43.1
113.63892	2.0
127.03930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
50.01606	0.5
51.02379	1.3
53.00300	2.1
53.03717	0.7
53.03951	9.5
55.01876	3.1
55.05499	0.7
60.67359	0.4
65.03929	1.4
67.05503	2.9
69.03432	42.4
69.07079	3.1
70.85989	0.8
70.86322	0.6
73.02942	0.6
74.02560	0.5
79.01863	2.5
79.05496	24.6
81.03420	42.3
81.07065	2.3
83.04967	1.3
93.03380	0.5
95.04971	3.2
97.02895	45.5
97.06529	2.9
98.03194	0.7
105.04503	1.6
107.01358	1.2
107.04955	9.6
110.03651	3.1
125.02358	100.0
125.05997	50.5
126.02702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02377	1.4
53.00312	1.9
53.03946	7.7
55.01870	0.6
57.03442	0.5
67.05495	0.7
69.03433	63.2
69.07062	1.1
69.16774	1.4
69.17200	3.7
72.43434	0.4
74.58699	0.4
77.03942	0.7
79.01869	3.0
79.05500	9.6
79.65596	0.5
81.03422	27.6
81.07061	1.9
95.04972	1.8
97.02895	73.3
97.06539	1.9
98.21582	1.1
102.48618	0.6
105.04499	0.7
107.01329	1.0
107.04973	3.1
110.03690	0.8
125.02358	100.0
125.05991	16.5
126.02654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03954	5.6
55.01870	0.7
55.05517	5.1
57.07081	4.5
65.03951	3.2
66.04737	0.4
67.05512	28.4
69.07072	2.5
71.48167	0.4
77.03938	1.7
78.03474	0.6
79.05504	18.7
80.05025	4.3
81.03429	0.8
81.07066	100.0
82.01458	1.3
82.07405	0.9
83.08608	0.4
90.88115	0.3
91.05491	0.6
93.07050	2.9
94.07827	1.1
95.04981	36.3
95.08618	14.8
95.09248	0.5
96.04514	1.9
96.05309	0.4
100.02491	2.9
101.00815	0.4
105.03404	0.9
105.04535	2.7
105.07044	1.5
108.05763	1.3
108.09416	0.8
112.03977	0.9
114.96459	0.4
118.03522	1.0
119.01987	0.4
121.10141	1.0
123.04447	10.5
123.05556	7.9
123.06310	0.3
123.08090	8.9
123.09166	0.8
123.11724	20.5
124.03989	2.9
124.07577	1.3
124.08441	0.4
140.03448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14311	0.2
57.03457	0.2
58.99871	0.8
63.08789	0.2
67.06851	0.2
67.69625	0.2
69.03443	0.3
69.48134	0.9
69.48566	0.8
70.37099	0.2
70.99866	2.9
77.00917	0.6
80.05024	0.5
82.01443	1.3
82.99846	8.4
83.01512	2.1
83.55173	0.2
84.01205	0.8
89.00917	0.8
98.20773	0.5
100.02512	2.0
101.00890	63.6
101.02563	3.5
102.00974	1.2
102.02240	1.1
103.00626	0.3
111.00459	0.7
118.03558	0.5
119.01929	100.0
120.02012	2.8
120.03278	0.3
121.02402	0.4
124.02463	1.4
124.04000	0.3
124.07654	0.3
133.03427	0.4
136.85077	0.2
137.02969	13.2
138.03020	0.3
142.03506	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68447	0.3
69.29510	1.6
69.29922	0.6
78.61581	0.2
82.01445	0.5
82.99850	8.6
83.01505	1.2
98.20785	0.5
100.02500	1.3
101.00887	58.9
101.02569	2.1
102.00993	1.0
111.00449	0.4
119.01926	100.0
120.02013	2.2
122.22577	0.2
124.02466	1.0
135.64413	0.3
137.02963	14.7
142.03494	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	125.0236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.00297	2.2
53.03713	0.8
53.03947	10.9
55.01863	2.1
55.05512	1.0
56.96557	0.7
61.25629	0.5
65.03941	2.9
67.05514	3.2
69.03434	47.8
69.07071	3.1
69.81189	2.8
70.74930	0.5
71.01349	1.1
73.02903	1.2
77.03936	0.8
79.01857	2.7
79.05019	0.5
79.05498	24.9
81.03422	48.3
81.07068	2.6
83.04970	0.8
92.31611	0.6
93.03418	1.2
94.40221	0.5
95.04970	2.7
97.02896	49.9
97.06548	3.6
98.03226	1.0
98.20858	0.9
101.21204	0.5
105.04489	0.7
107.01324	1.7
107.04308	0.9
107.04963	11.1
107.08613	0.8
110.03699	3.4
111.04513	0.6
120.01968	0.6
120.23312	0.6
125.02359	100.0
125.05994	60.0
125.09621	1.4
126.02707	1.5
126.06337	1.0
141.90565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
50.01569	0.3
51.02384	0.4
53.03951	4.6
55.01879	0.5
55.05517	4.8
56.78465	0.3
57.07082	5.9
65.03947	1.6
67.05512	18.8
69.07071	3.4
69.33969	2.2
69.34375	0.7
77.03941	0.5
79.05499	17.3
80.05029	4.2
81.03413	0.6
81.07063	100.0
82.01452	1.2
82.07400	1.2
86.09229	0.3
91.05531	0.4
93.07035	2.1
94.07854	1.4
95.04980	17.2
95.08620	14.3
95.09135	0.3
96.04498	2.3
98.21534	0.7
100.02498	3.6
100.80237	0.4
105.04535	1.6
105.07025	1.1
108.01055	0.4
108.05758	0.7
108.09374	1.1
112.03989	0.8
118.03536	1.2
119.01927	0.4
121.10133	1.8
123.04440	5.5
123.05565	8.1
123.08089	3.5
123.08927	0.6
123.11717	22.0
124.03963	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
51.02379	0.7
52.22250	0.4
53.03950	6.6
53.58915	0.5
55.01872	1.0
55.05515	5.3
57.07079	4.7
65.03938	2.3
67.05510	25.2
69.07053	2.8
71.49933	0.9
77.03950	1.5
79.05499	17.0
80.05024	3.6
81.03432	1.3
81.07061	100.0
81.91208	0.5
82.01438	0.7
82.07388	1.2
91.05492	0.8
93.07040	2.1
94.07832	0.9
95.04974	31.1
95.08611	13.6
96.04514	1.4
100.02496	3.4
102.96242	0.5
105.03428	0.5
105.04531	2.7
105.07019	1.1
108.05762	1.7
112.03993	0.6
118.03557	0.8
119.01972	0.7
121.10146	1.0
123.04443	10.6
123.05553	7.0
123.08069	9.4
123.11712	20.8
124.03967	3.3
124.07602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
51.02388	1.0
53.03954	6.3
55.05513	5.7
57.07076	5.2
65.03944	3.1
67.05512	24.2
69.07075	3.5
70.06848	1.0
70.07243	1.1
77.03944	1.4
78.03463	0.7
79.05501	19.7
80.05022	5.6
81.03424	1.5
81.07063	100.0
82.01446	2.0
82.07436	0.9
91.05492	0.8
93.07054	3.1
94.07854	0.8
95.04980	34.6
95.08613	18.8
96.04510	2.7
96.05332	0.7
100.02485	4.8
103.45588	0.5
105.03416	0.9
105.04523	2.9
105.07043	1.2
108.05754	1.6
108.09396	1.0
112.03967	1.4
118.03529	1.1
121.10159	1.5
123.04453	10.4
123.05569	13.4
123.08078	13.4
123.11717	23.0
123.77257	0.6
124.03978	5.0
124.07614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03953	9.1
55.01855	1.5
55.05515	6.8
57.07076	5.3
65.03953	4.3
67.05508	29.0
68.05861	0.7
68.99770	0.6
69.07069	3.2
71.48324	0.8
77.03928	2.5
78.03451	1.1
79.05500	18.6
80.05017	8.8
80.05788	0.6
81.03428	1.6
81.07060	100.0
82.01449	2.6
82.07394	0.9
90.34107	0.5
91.05463	0.9
93.07046	3.3
95.04974	49.3
95.08613	17.7
95.09066	0.4
96.04504	5.5
96.05310	1.0
100.02489	8.6
105.03396	0.7
105.04525	3.9
105.07026	1.6
108.05743	2.1
108.09389	0.9
112.03977	1.3
118.03535	3.7
119.01929	1.1
121.06505	0.6
121.10156	1.7
122.25401	0.5
123.04443	15.0
123.05554	20.7
123.08079	11.6
123.09180	1.5
123.11712	23.3
124.03951	7.9
124.07596	1.1
137.64859	0.6
140.03409	1.2
141.72282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01614	0.8
51.02382	1.4
53.03949	14.2
55.01872	2.7
55.05515	9.3
56.96551	0.4
57.03438	0.6
57.07075	1.1
65.03942	9.1
67.05507	74.6
68.05848	0.7
69.03435	0.5
69.07058	0.9
71.48792	0.6
77.03928	3.3
78.03454	0.4
79.05494	12.1
80.05025	5.1
80.06280	0.9
81.03424	5.8
81.07059	26.2
82.01447	3.0
85.19311	0.3
91.05482	4.6
93.07048	8.7
94.04201	0.4
95.01350	0.7
95.04971	100.0
95.08607	25.2
96.04503	3.1
96.05291	1.5
96.08923	0.5
100.02485	8.7
101.00850	0.4
103.05459	1.0
105.03405	2.4
105.04512	7.4
105.07029	5.4
106.02888	0.5
107.04934	0.6
108.05740	3.4
109.05268	0.5
112.03971	1.0
118.03539	3.1
119.01915	1.5
123.04428	24.8
123.05540	9.9
123.08069	24.5
123.08981	0.4
123.09995	1.1
123.11693	3.6
124.03948	4.5
124.07590	1.2
136.13545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02375	1.4
53.03953	14.4
55.01879	2.5
55.05513	7.6
55.42208	0.6
55.52433	0.7
57.07081	1.0
65.03940	7.2
67.05511	58.2
68.99799	0.9
69.07075	1.2
77.03943	3.2
78.03448	1.6
79.05505	10.8
80.05025	11.5
81.03430	5.0
81.07064	27.8
82.01432	3.4
91.05492	3.2
93.07050	7.4
95.04977	100.0
95.08617	25.6
96.04500	6.3
96.05102	0.9
96.05305	0.9
99.57996	0.7
100.02499	7.8
103.05499	0.7
105.03388	3.1
105.04517	7.5
105.07050	3.2
107.04946	0.8
108.05754	4.1
112.03989	1.3
115.52812	0.7
118.03519	3.9
119.01933	0.9
123.04442	25.9
123.05555	22.3
123.08076	38.1
123.09946	1.4
123.11697	5.7
124.03976	8.6
124.07611	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02386	1.9
52.76484	0.6
53.03716	1.1
53.03953	17.8
53.09902	0.5
55.01868	2.6
55.05507	0.7
65.03957	4.1
67.05511	26.6
69.64790	0.6
69.65484	2.3
69.94453	0.6
77.03934	5.9
79.05502	16.1
80.05021	1.7
81.03433	2.4
81.07059	3.3
86.02429	0.6
91.05477	0.8
93.07086	0.9
95.01361	4.4
95.04979	100.0
95.08621	3.8
96.04503	0.9
96.05325	1.1
99.68726	0.6
100.02506	0.9
102.73521	0.5
105.03420	6.0
105.04517	8.2
108.05801	1.0
119.01978	0.6
123.04449	26.8
123.05540	2.4
123.08069	3.2
124.04019	1.1
128.82111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01587	0.4
51.02396	1.8
53.00309	0.4
53.03952	16.7
55.01869	1.3
55.05519	0.5
65.03934	1.7
67.01860	1.6
67.05506	13.2
69.52967	2.1
77.03930	5.6
79.05507	2.9
79.05896	0.6
81.03420	1.5
81.07037	0.8
95.01336	11.9
95.04971	100.0
95.08617	0.9
96.05305	1.4
96.68016	0.4
99.66561	0.4
105.03422	3.0
105.04510	8.3
106.46894	0.4
123.00772	1.5
123.04435	22.6
123.08018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01870	2.3
57.03446	5.3
58.72019	0.6
58.99866	2.6
59.69269	0.7
61.02920	1.8
63.96656	0.7
67.05514	1.6
68.02644	1.6
69.01904	0.8
69.03426	2.5
69.86656	3.4
70.99873	2.3
73.02919	2.7
78.52969	1.4
79.02177	1.0
79.51890	1.1
80.04981	1.0
81.01923	1.2
81.03421	3.3
81.46796	0.7
82.01453	57.5
82.99846	2.4
83.01515	0.9
85.02914	2.4
85.53745	0.8
88.02701	2.2
89.00893	1.1
90.52938	1.3
93.01899	1.7
93.53496	0.9
95.04966	2.2
97.02886	1.4
98.52659	1.0
100.00106	2.3
100.02492	100.0
101.00889	18.3
101.02568	2.3
102.00933	1.4
102.02328	1.4
109.02878	1.5
111.02944	1.7
113.00888	3.1
115.02444	2.0
118.01157	2.4
118.03529	22.4
119.01933	27.1
120.03490	0.9
123.04052	1.1
123.05567	1.8
124.02496	2.1
131.01950	5.2
136.02534	0.8
137.02977	3.6
139.05516	0.8
141.02763	1.2
142.03488	4.0
143.01935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.93069	1.1
51.02368	2.2
53.03947	23.3
55.01876	1.8
55.05503	6.0
55.20956	1.3
60.81005	1.2
65.03947	12.0
67.05494	2.3
69.77613	5.1
69.78017	2.5
70.14722	1.4
77.03921	5.6
79.05497	54.7
81.03398	2.9
81.07056	3.5
91.05483	59.8
93.07046	89.9
93.38321	1.2
95.04971	18.5
103.05471	37.4
105.04523	11.5
105.07035	100.0
106.07856	7.7
119.08587	14.3
121.02881	7.2
121.03997	2.9
121.06504	31.6
121.10151	57.8
121.11041	2.8
122.09682	1.8
123.08023	6.0
133.07568	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	1.5
52.98080	0.7
53.03715	1.0
53.03951	15.1
55.01862	1.4
55.05509	1.5
60.33366	0.7
65.03944	7.2
65.34798	0.6
67.05494	0.7
68.04455	0.6
70.63764	1.5
70.64133	1.0
70.76402	0.5
73.07891	0.6
77.03934	2.9
79.05499	40.9
81.03421	1.7
87.55196	0.6
91.05486	34.1
92.05822	0.6
93.03420	1.0
93.07051	38.2
95.04977	12.0
102.09347	0.6
103.05473	29.5
105.04527	7.1
105.07037	100.0
106.07878	5.7
110.57050	0.6
119.08585	12.7
120.05698	0.8
120.81423	0.7
121.02898	4.2
121.03995	1.9
121.05679	1.1
121.06519	21.6
121.10154	51.6
122.09676	1.2
122.10532	0.7
123.08082	7.9
133.07619	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99763	0.6
58.99856	1.3
61.53920	0.6
62.05251	0.6
62.99656	0.6
65.35335	0.6
70.72321	1.5
79.56088	0.5
82.01445	61.8
82.99839	1.4
89.51562	0.6
100.02483	100.0
101.00888	12.2
101.02557	1.3
113.00896	0.6
118.03522	24.9
119.01921	20.8
123.04045	1.2
137.02922	2.8
142.03490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	1.7
53.03952	16.1
55.01870	2.2
55.05504	2.2
65.03662	0.7
65.03950	7.4
67.05509	1.4
69.85529	2.7
77.03938	4.7
78.04717	1.0
79.05502	41.5
79.87686	0.4
80.05820	0.6
81.03421	2.1
81.07066	1.6
91.05492	37.1
92.05809	0.6
93.03395	0.9
93.04492	0.6
93.07055	42.1
94.07369	0.7
95.04978	15.5
98.21550	0.6
103.05479	37.4
105.04550	8.3
105.07043	100.0
106.07873	6.0
107.07318	0.5
107.48851	0.4
111.04464	1.3
111.86926	0.4
119.08592	13.0
120.05727	1.2
121.02883	6.8
121.03991	2.3
121.06523	29.6
121.10156	51.0
122.09694	1.5
122.10487	0.7
123.08065	7.2
133.07628	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	0.9
51.20411	0.5
52.22971	0.4
53.03950	8.5
55.01870	1.0
55.05511	0.9
64.91492	0.4
65.03934	3.5
66.66102	0.5
67.05514	0.8
71.49925	0.7
73.44226	0.5
75.74132	0.4
77.03923	1.8
79.05495	38.5
81.03417	1.2
81.07047	0.6
91.05484	18.1
93.07048	19.5
93.07648	1.0
93.89805	0.5
94.06567	0.6
95.04974	6.6
96.05313	0.5
103.05466	19.6
105.04556	3.7
105.07033	100.0
106.07865	6.1
107.07352	0.9
110.45775	0.5
119.07715	0.6
119.08585	14.7
120.05741	1.5
121.02891	3.7
121.03968	1.6
121.06512	7.2
121.10149	47.9
122.06054	0.7
122.09663	1.9
122.10493	1.2
123.08080	8.2
133.07625	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01588	1.3
51.02383	2.8
53.03950	32.2
55.01863	4.4
55.05518	5.9
65.03945	26.5
65.51548	1.0
67.05524	5.5
71.49531	1.3
77.03925	6.5
78.04713	4.5
79.05500	62.6
81.03411	3.8
81.07051	1.4
87.40935	1.1
91.05489	84.0
92.05789	1.6
93.03426	2.6
93.07050	100.0
94.06568	1.6
94.07361	1.7
95.04979	25.0
95.07063	0.9
103.05477	46.6
105.03412	1.5
105.04532	17.9
105.07038	92.8
106.04160	1.4
106.07867	6.0
106.49271	0.9
107.07318	2.7
111.04464	4.1
119.08589	16.2
120.05800	1.2
121.02882	25.7
121.03987	10.6
121.06517	53.7
121.10154	52.3
122.06038	1.0
122.09665	4.0
122.10471	2.0
123.08086	6.9
133.07616	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.95434	1.2
51.02374	3.8
53.03950	36.1
55.01884	9.2
65.03944	8.2
69.19547	10.4
77.03924	10.2
79.05496	5.8
81.03419	3.5
91.05489	76.9
93.03468	1.6
93.07052	56.3
95.04978	28.3
98.20747	2.2
102.04704	2.1
103.05476	100.0
104.05828	2.6
105.04521	17.1
105.07069	2.2
121.02893	2.5
121.06516	74.8
121.10170	1.7
122.06826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01588	1.2
51.02377	3.4
53.03720	2.4
53.03954	39.0
55.01866	5.3
65.03952	6.9
70.75106	2.1
70.75456	2.7
77.03945	9.2
78.04713	1.9
79.05499	4.5
81.03420	3.9
91.05489	96.6
92.05836	1.2
93.03425	1.3
93.07052	59.9
95.04982	28.6
96.12914	1.1
102.04711	1.9
103.05479	74.1
105.03385	3.7
105.04515	20.8
105.07050	4.3
121.02916	5.8
121.04028	2.8
121.06514	100.0
121.10155	1.6
129.37462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.1
52.03677	1.4
52.67011	1.1
53.03950	41.9
55.01879	10.1
55.94465	1.2
65.03946	9.9
66.69646	1.1
66.78436	1.3
69.04382	1.2
69.56256	8.0
77.03931	11.5
78.04710	2.0
78.81579	1.4
79.05499	11.7
81.03410	4.9
91.05483	96.3
93.03397	1.8
93.07047	58.9
93.07645	2.9
95.04966	30.7
102.04697	2.4
103.05470	100.0
104.05817	1.6
105.03404	2.2
105.04521	20.1
105.07039	3.7
116.84160	1.2
121.02887	4.0
121.04028	1.9
121.06509	87.9
121.10133	1.7
122.06931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
51.02374	2.9
53.03950	30.9
55.01875	5.2
62.71379	0.7
65.03944	84.0
66.00206	0.8
66.04259	1.1
66.52177	0.7
68.99783	1.1
69.33469	1.7
69.33872	6.1
77.03928	7.2
78.04713	2.5
79.05491	10.6
80.02603	1.1
81.03415	3.5
91.05486	82.5
92.05836	1.2
93.02469	0.8
93.03416	10.0
93.07047	49.1
95.04978	27.3
98.03666	2.4
102.04681	2.2
103.05469	75.9
104.05789	1.8
105.03405	2.3
105.04520	18.1
105.07036	14.1
111.04449	10.8
119.08581	2.4
121.02870	100.0
121.03976	24.8
121.06507	69.1
121.10138	8.1
122.03188	1.4
122.06903	1.3
122.09667	1.2
123.08044	1.2
133.07600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	4.4
51.29800	1.3
52.73094	1.4
53.03950	41.8
53.53830	1.2
54.34152	1.4
55.01883	6.6
63.34264	1.5
65.03947	7.9
66.79333	1.3
69.50993	7.8
77.03932	11.6
79.05483	5.1
81.03411	3.5
85.13674	1.4
91.05489	100.0
93.07049	65.3
95.04380	2.3
95.04974	37.4
102.04708	2.6
103.05477	91.4
105.03395	2.7
105.04516	20.6
105.07027	9.0
121.02893	3.4
121.06513	98.2
121.10143	4.2
122.06849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
53.90423	0.5
58.73746	0.6
64.07659	0.5
66.53504	0.6
67.14403	0.5
69.78732	3.1
71.52590	0.6
77.03920	1.0
79.05479	1.0
81.03394	0.6
81.81139	0.5
91.05486	9.2
93.07050	15.2
95.04990	2.5
102.04711	1.1
103.05476	83.6
104.05837	1.0
105.04511	1.2
118.06534	1.9
119.07332	1.3
120.08117	100.0
121.08443	1.4
138.31813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03954	2.1
54.04287	0.9
55.51249	0.5
65.03945	2.4
67.05491	0.6
70.92345	0.6
70.92692	0.7
77.03945	0.7
78.04719	1.1
79.05504	3.8
91.05489	100.0
92.05831	1.1
93.07055	3.6
95.04973	1.2
103.05488	5.4
104.06261	7.5
105.04523	0.7
115.05465	3.4
117.07036	12.9
117.07870	0.7
119.04974	1.3
119.06854	1.5
119.08595	40.2
120.08958	0.6
124.37308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02382	0.8
53.03951	3.3
53.81547	0.5
54.04291	0.8
57.20257	0.6
65.03942	4.5
70.77680	1.6
74.28223	0.6
78.04716	0.9
79.05497	7.1
82.83070	0.5
91.05488	100.0
92.05799	0.8
93.07054	5.6
95.04990	2.3
96.05332	0.8
99.56535	0.7
103.05476	10.6
104.06257	12.0
105.04543	1.4
115.05482	5.5
117.07032	21.2
117.07877	1.0
119.04979	3.2
119.06848	2.3
119.08591	85.1
120.08128	1.1
120.08904	1.4
121.06483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.42026	0.6
53.03944	2.7
54.76894	0.6
65.03942	5.2
66.91207	0.6
71.48650	0.8
71.49057	0.8
78.04688	0.8
79.05496	6.3
91.05486	100.0
92.05811	1.5
93.07037	5.4
95.04958	1.8
96.05313	1.3
103.05473	10.1
104.06254	9.9
105.04517	1.0
109.06538	2.1
115.05479	5.0
117.07023	35.9
119.04945	8.5
119.06062	2.3
119.06846	1.9
119.08585	71.6
120.08885	0.9
137.75276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02390	0.6
53.03948	1.2
54.04292	0.8
59.32378	0.5
62.66938	0.6
65.03945	18.2
66.23393	0.5
68.84298	0.5
70.82915	1.5
78.54388	0.5
85.49142	0.5
90.71733	0.5
91.05488	100.0
92.05833	1.4
96.05325	1.0
105.04534	0.5
113.76584	0.5
117.07040	1.2
119.04952	34.8
119.08587	3.5
120.05322	0.6
126.64776	0.5
128.89349	0.5
129.04472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.89757	0.6
53.03943	0.9
56.46797	0.5
65.03943	19.4
69.88251	1.8
69.88659	1.0
79.05491	1.4
91.05484	100.0
92.05832	1.3
95.04961	0.7
103.05457	1.1
104.06279	1.0
115.05455	1.0
116.64899	0.5
117.07014	3.3
119.04948	31.3
119.08574	11.6
122.82244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03953	3.3
57.63543	0.6
65.03956	4.4
69.62811	3.5
78.04724	1.1
79.05503	6.6
91.05490	100.0
92.05809	0.8
93.07056	6.2
95.04985	2.7
96.05299	0.7
98.21493	1.2
103.05482	12.6
104.06257	13.1
105.04509	1.6
106.04806	0.7
109.06529	1.2
115.05463	6.5
115.25167	0.6
117.07031	38.5
118.07363	0.9
119.04957	2.4
119.06100	1.5
119.08594	81.6
120.08116	0.8
120.08914	1.1
126.23494	0.6
130.60582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03945	1.8
55.01867	0.6
55.05512	6.8
56.05035	0.4
56.96556	0.9
57.03439	0.9
57.05811	0.7
58.06604	35.5
59.07386	33.8
59.07647	0.3
59.07705	0.5
59.52195	0.3
64.97151	0.3
65.03951	0.5
67.05477	0.7
69.03436	2.8
69.81568	1.6
70.99873	0.4
71.02973	0.6
72.08158	38.7
74.09693	0.4
77.03925	0.6
78.52972	0.7
79.02180	0.4
79.03070	0.4
79.05489	0.7
80.02954	0.5
81.03420	0.9
81.07047	0.4
82.01453	3.7
82.02717	0.4
83.01555	0.4
84.01202	0.4
84.08141	0.7
85.01404	0.7
85.02914	1.6
87.04467	2.1
88.02687	0.8
90.04267	0.4
91.05489	1.3
94.06570	0.5
94.54272	0.8
95.04980	1.2
100.02486	6.6
100.07614	0.5
101.00909	0.7
101.02589	0.7
102.02231	0.9
103.02454	1.4
105.04546	0.8
106.05068	1.3
106.55125	0.4
107.05285	0.5
110.04990	0.3
112.07619	2.5
113.00871	0.3
113.02354	0.6
115.02429	1.0
118.03529	2.1
118.08661	100.0
118.12304	0.9
119.01914	1.9
119.08944	0.6
120.49279	0.4
121.03465	0.5
131.01955	0.6
133.03484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58319	3.9
53.03909	5.2
54.36644	4.9
67.05498	9.5
69.03426	7.5
69.85394	25.3
70.38564	3.7
80.06284	6.4
82.01449	7.1
82.99840	9.4
91.05492	12.1
100.02512	10.8
101.00887	61.3
103.02483	10.5
107.05250	16.0
119.01933	100.0
121.03526	4.9
137.02960	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
56.96566	19.6
65.03926	4.8
67.05507	3.6
69.03415	5.4
70.10303	9.1
70.10635	2.8
80.02933	2.2
82.01460	5.9
82.99843	6.7
83.04966	3.7
91.05490	20.2
91.53717	3.9
98.97598	8.1
100.02487	10.0
101.00880	61.2
101.01505	5.0
103.02444	4.4
107.05278	7.6
110.01256	2.5
111.04408	3.4
116.98580	3.2
119.01929	100.0
131.01907	3.2
132.77975	2.7
137.02985	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	117.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03939	1.7
54.78864	0.3
62.01590	0.6
62.11218	0.4
63.02378	15.9
69.03405	0.7
69.79366	0.4
70.87854	1.0
75.49724	0.4
79.05482	0.4
89.03919	100.0
89.33898	0.4
90.04256	1.3
91.05479	1.0
92.02374	0.4
95.04972	1.2
96.34559	0.4
105.04524	0.8
115.05469	1.7
117.03387	8.5
117.07039	1.2
118.06580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02378	8.9
52.68310	2.5
53.03952	84.3
53.37888	2.8
55.01872	5.9
61.17402	2.7
69.57945	14.9
69.58345	6.2
77.03932	17.3
81.03418	7.5
91.05452	5.4
95.04973	66.5
105.04523	39.7
118.06555	100.0
120.00239	2.6
134.18414	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
53.28447	0.2
55.05494	0.9
57.03427	0.7
57.19599	0.2
58.06601	36.2
59.05007	0.3
59.07383	35.8
60.01402	0.3
61.02925	0.6
61.73412	0.2
67.02177	0.4
69.03428	0.7
69.92262	0.5
69.92645	0.4
70.99853	0.2
72.08157	6.2
73.02916	0.3
74.09715	0.5
75.01929	0.5
76.02687	1.2
79.02168	0.3
80.02934	0.2
81.01909	0.8
82.01444	0.5
82.99814	0.3
85.01413	0.7
85.02872	0.5
87.01923	0.3
87.04470	1.7
88.02676	1.8
94.02683	0.6
97.03202	0.8
100.02538	0.7
100.07623	0.6
101.00893	1.8
102.00966	0.3
103.02472	1.1
103.03062	0.2
110.03073	0.2
113.00870	0.7
115.02432	0.7
118.08657	100.0
118.12296	1.8
119.01917	2.2
119.09010	0.6
120.02048	0.3
121.03519	0.4
130.90535	0.2
131.01897	1.1
133.03468	2.3
135.03102	0.3
137.02972	0.2
137.07147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
54.03493	0.8
55.05514	32.3
56.05040	3.8
57.07082	1.3
58.06604	2.0
65.03947	0.8
67.05512	3.0
68.05035	4.4
68.99771	0.9
69.03464	1.0
69.04550	3.1
69.05376	1.7
69.07070	100.0
70.02973	0.8
70.04098	0.8
70.04891	1.8
70.06595	42.3
71.06119	2.5
71.07375	1.7
71.50399	1.2
82.06573	1.0
82.88506	0.7
83.04976	2.2
83.06104	6.5
84.05640	1.2
84.08156	2.9
85.07675	2.6
88.00485	7.0
91.05500	1.0
93.04527	1.1
93.07045	1.2
94.06554	4.5
95.06105	1.9
96.05631	2.0
96.06880	2.6
97.00996	2.8
99.51310	1.5
110.07162	9.8
111.04445	4.6
111.05607	7.3
111.06754	2.2
111.07394	8.5
111.08063	2.7
111.09206	83.2
112.03971	1.3
112.08741	16.0
115.96462	1.4
116.97257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03408	0.6
53.03946	1.4
55.01865	1.9
55.05508	2.2
57.03447	1.3
58.06593	0.5
59.05006	10.6
63.02365	0.8
65.03934	2.6
68.04682	0.6
69.03439	8.1
69.07069	6.4
70.06596	6.0
70.07422	0.6
71.48360	0.9
72.93798	2.5
73.02918	2.5
73.06551	1.1
73.93837	1.8
74.93839	2.7
79.05486	0.9
85.02914	1.5
87.00823	1.3
87.04480	8.2
89.03931	10.8
90.94798	0.7
91.94902	0.8
92.94888	0.8
97.02888	3.2
97.06551	1.9
115.03960	35.6
115.05466	100.0
115.09519	2.3
116.05777	2.0
116.07078	0.8
116.10735	1.0
119.52861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.03950	4.0
55.01875	7.0
55.05508	9.1
56.96575	0.8
57.03189	1.2
57.03437	11.7
59.05008	7.3
67.05511	5.4
69.03433	7.3
69.07070	100.0
70.06586	3.7
70.07404	1.3
70.73566	1.1
70.73899	1.8
71.05003	1.7
71.46976	0.8
72.93781	2.8
73.02921	0.7
73.06560	20.4
73.93831	1.8
74.93833	5.0
79.05499	19.8
80.05814	1.5
87.04480	4.9
89.77554	0.7
92.94913	0.9
95.04988	1.0
97.02922	1.4
97.06536	49.7
115.03938	24.9
115.05471	8.1
115.07550	4.0
115.08810	0.9
115.09518	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	111.0809
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03951	13.0
55.01879	32.7
55.05515	100.0
56.96586	1.6
57.03431	5.2
65.03946	30.5
67.05510	18.8
68.05029	1.4
68.99792	2.1
69.03430	17.1
69.07072	6.5
70.07492	1.7
70.07824	4.7
70.94258	4.1
70.95844	1.4
79.00002	1.8
79.05501	5.3
81.03431	1.4
81.06248	1.3
81.07079	6.2
82.04193	1.5
83.04988	59.8
83.06087	3.0
83.08620	6.6
88.00491	16.6
91.05492	18.2
93.03421	10.3
93.07057	20.1
95.04974	6.7
97.01005	7.0
99.51364	1.4
105.04519	3.5
108.95781	1.4
111.04452	85.9
111.05602	4.4
111.06403	3.0
111.08086	64.0
111.09237	3.1
112.03989	1.9
112.04826	2.2
112.07622	6.4
115.96459	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	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.02358	1.3
53.03951	15.0
55.01878	17.2
55.05514	82.2
56.98616	1.2
57.03431	5.0
63.20289	1.5
65.03946	14.5
67.05510	10.0
69.03431	12.2
69.07063	4.0
70.06593	1.5
70.94262	1.5
71.05001	2.5
77.03915	2.8
79.05485	8.1
81.03416	8.0
81.07066	12.7
83.03839	3.5
83.04977	25.4
83.06090	1.8
83.08612	8.7
88.00509	3.0
91.05492	22.1
92.58236	1.4
93.03414	5.9
93.07053	31.7
95.04965	7.2
98.21622	2.5
105.04525	3.4
111.03309	9.1
111.04436	31.3
111.05575	2.9
111.08085	100.0
111.09246	3.5
112.03964	1.9
112.07646	2.8
112.08376	1.4
112.46637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.00310	1.0
53.03954	6.8
53.40005	0.8
55.01681	0.7
55.01881	9.6
55.05518	100.0
56.96574	5.5
63.99860	1.0
65.03619	1.5
65.03950	29.8
67.05508	6.5
68.02639	1.1
68.99797	1.0
69.03436	22.6
69.07062	1.4
70.06555	0.9
70.94283	1.2
70.95869	0.9
71.27191	1.7
71.27532	0.8
79.05502	1.6
81.03424	1.3
82.04211	5.6
83.04990	90.5
84.08132	3.1
88.00501	1.7
91.05476	2.1
93.03433	6.3
93.07050	2.6
95.05002	1.3
97.00997	0.9
111.04452	68.5
111.05644	2.1
111.06358	1.8
111.08115	6.0
111.09227	3.7
112.07627	10.9
128.98645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.6
53.03944	12.5
55.01872	24.9
55.05511	74.6
56.05022	3.7
56.96308	1.5
56.96568	24.3
57.03421	2.0
58.99855	4.1
59.52190	1.3
65.03938	41.6
65.52183	2.0
65.63387	1.1
66.02220	1.4
66.04703	1.0
66.13798	1.2
67.01860	2.5
67.05502	26.7
68.02640	9.9
68.05016	2.0
68.98289	1.3
68.99776	5.1
69.03041	1.5
69.03428	30.4
69.04540	1.5
69.07061	4.4
70.02954	1.4
70.06585	3.8
71.01347	1.9
71.02973	3.5
71.04975	2.9
71.48163	1.6
71.53017	1.6
71.95259	6.3
72.02847	1.3
72.52971	1.0
72.96034	1.2
74.52668	1.0
75.01044	1.5
77.00882	2.8
78.01920	1.2
78.52962	2.8
79.01835	2.7
79.05505	8.0
81.01884	1.7
81.03408	9.3
81.07044	3.6
82.01451	11.8
82.04204	2.4
82.05318	29.8
83.00765	2.4
83.01492	1.4
83.04980	94.0
83.06091	33.0
83.06870	2.2
84.01553	3.2
84.08138	3.0
85.01397	2.1
85.02905	1.5
85.53721	3.3
86.99316	1.3
87.02462	2.4
87.99427	3.1
88.00500	3.0
88.04169	1.5
91.05474	5.1
91.53743	2.2
93.01947	1.3
93.03387	11.6
93.07031	6.2
94.02637	1.6
94.06563	1.2
95.01333	5.2
95.02439	4.9
95.04961	4.9
96.02096	2.5
96.04473	1.4
97.00990	2.3
97.02894	1.6
99.01852	1.2
99.02791	1.4
99.52579	1.2
100.02480	31.5
101.00866	1.4
101.02531	5.6
101.92647	1.2
102.02262	6.7
103.02466	7.0
104.02550	1.4
105.04518	1.6
106.00445	3.8
108.04185	2.2
110.97569	3.3
111.00803	9.1
111.04439	100.0
111.05565	38.3
111.06376	12.0
111.08076	11.8
111.09189	9.1
112.03966	2.2
112.04299	1.2
112.05087	15.8
112.07610	11.7
114.04099	1.3
115.01199	2.3
115.02425	1.1
118.03519	16.6
119.01946	5.7
119.03590	3.5
120.03297	3.1
121.01693	1.7
121.03482	3.6
123.00766	3.0
124.01536	1.2
127.02466	1.3
128.98596	7.6
129.03978	22.1
129.04887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05504	0.8
89.03919	7.7
95.04967	1.8
101.00917	2.2
107.04942	1.6
111.04436	0.8
117.03395	6.5
119.01936	6.7
121.02898	3.4
127.02424	1.7
133.03500	1.1
135.04434	12.7
137.02980	1.4
139.03903	0.6
143.05591	0.6
145.02692	9.6
145.03716	1.0
152.91589	0.4
153.01877	0.5
153.03987	1.3
155.01825	0.6
157.03418	0.8
161.06699	0.7
162.56900	0.5
163.03923	82.8
164.04288	2.3
169.03470	7.0
171.01411	1.3
171.05043	4.4
177.04022	0.9
185.00990	1.6
185.02936	3.0
187.04552	5.4
189.02551	1.0
189.06149	0.4
191.01892	0.8
193.03503	2.7
195.05042	4.8
197.02992	4.3
199.90695	0.5
203.01976	4.1
203.03955	1.0
205.05583	0.8
209.03015	1.9
211.04514	3.6
213.02583	0.5
213.06097	2.8
215.04060	3.7
221.02979	57.7
222.03076	2.3
229.03532	0.8
229.05589	4.9
231.07237	0.6
235.04677	0.6
235.08142	0.5
237.00752	0.7
237.06139	1.7
239.04028	13.2
239.07765	0.7
240.04144	0.6
243.05135	0.6
244.04498	1.2
245.02957	2.1
247.04514	3.0
255.01814	1.6
255.07271	0.6
257.05096	15.2
259.04611	1.6
261.06146	1.3
263.04068	3.6
263.07767	0.8
265.05594	1.8
269.03415	0.5
269.06839	0.7
271.04538	26.1
272.04657	0.6
273.02802	1.5
273.06125	3.7
275.06143	7.5
277.05667	1.9
279.07355	0.8
281.05353	2.4
281.08115	0.6
283.06708	2.0
285.06100	1.3
287.04059	4.7
287.07495	1.2
289.05591	10.9
291.04102	0.5
291.07132	2.7
295.04498	1.5
295.07126	1.1
297.02747	0.9
297.06100	3.4
299.03900	7.3
301.07770	0.8
303.07239	0.5
305.05042	2.0
305.08838	1.2
307.06696	9.2
309.04602	1.4
309.08258	1.5
312.07147	0.6
313.05640	4.0
315.03497	1.9
315.07175	3.1
317.05026	3.2
323.04062	2.4
325.07629	3.1
327.05731	2.2
331.06631	7.9
331.10590	0.5
333.04477	1.7
333.08319	2.6
335.05981	2.0
341.05045	3.7
342.17581	0.5
343.08774	1.2
345.06558	0.8
347.04013	0.8
349.07697	9.5
350.08047	1.0
351.05667	1.0
351.09494	1.1
353.07272	3.1
354.08047	0.5
359.06210	5.6
367.08920	1.5
369.06799	1.7
371.08411	3.1
377.07239	26.4
378.07581	1.4
387.07715	0.5
389.09256	1.5
395.08270	17.9
396.08673	0.5
413.09357	3.8
419.08371	3.9
431.10541	6.5
437.09357	20.5
438.09946	0.6
449.11508	2.2
455.10410	5.8
507.09799	0.8
533.11493	2.2
539.10498	2.0
551.12610	7.3
557.11523	4.2
562.10846	1.3
562.60889	0.5
563.11127	0.8
569.13672	10.7
570.60284	0.9
571.10510	0.9
571.60382	1.4
572.09692	0.7
575.12531	2.7
587.14178	0.8
611.14636	100.0
612.14777	4.3
629.15747	13.1
713.15607	0.6
731.16748	16.3
732.16980	0.7
737.16174	0.6
747.14069	0.8
748.14655	1.0
749.17474	9.0
750.14722	2.9
996.66766	0.6
1119.52234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02380	0.7
53.03953	14.5
53.58742	0.6
54.00423	0.5
55.01864	0.8
55.05514	11.0
60.30731	0.5
62.95040	0.6
65.03948	6.0
67.05512	100.0
69.07079	7.4
70.75925	1.3
70.76299	1.5
79.05502	15.1
80.05830	0.9
80.06282	1.7
81.03424	22.6
81.07062	39.0
90.50103	0.6
91.05489	2.3
94.04195	2.3
94.07810	1.6
100.38800	0.7
105.07057	1.1
107.04945	0.7
107.08617	4.1
109.02890	7.6
109.06538	11.8
109.10168	40.7
109.54554	0.6
113.00918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03950	26.1
55.61644	0.6
63.29572	0.4
64.90655	0.5
66.55460	0.4
67.05515	3.5
68.63444	0.4
70.77346	1.2
79.05495	4.3
81.03419	90.1
81.07046	4.2
82.03763	0.7
91.05495	0.7
91.17646	0.5
94.04180	1.4
94.71786	0.5
98.21586	0.6
109.02883	100.0
109.06526	3.7
109.10156	1.9
110.03210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02390	1.1
53.03950	26.4
56.01474	0.6
57.18930	0.5
67.05500	1.5
69.99629	2.2
74.36868	0.5
79.05499	2.3
81.03421	89.6
81.07058	2.4
82.03764	0.6
91.05485	1.1
94.04235	0.7
106.58129	0.5
109.02883	100.0
109.06526	3.4
110.03224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02371	2.0
53.03948	32.7
55.94520	1.1
57.23949	1.0
63.80436	1.2
65.03943	1.8
67.05511	9.2
71.06174	1.9
79.05502	8.7
81.03419	98.5
81.07053	10.4
91.05508	1.6
94.04178	3.6
109.02882	100.0
109.06507	15.9
109.10142	4.4
111.03609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03948	32.7
55.94520	1.1
57.23949	1.0
63.80436	1.2
65.03943	1.8
67.05511	9.2
71.06174	1.9
79.05502	8.7
81.03419	98.5
81.07053	10.4
91.05508	1.6
94.04178	3.6
109.02882	100.0
109.06507	15.9
109.10142	4.4
111.03609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.14293	0.5
53.00294	0.8
53.03952	17.1
53.04205	1.0
53.93356	0.4
55.01876	7.8
55.05518	4.6
58.48097	0.4
60.07201	0.5
64.77429	0.5
65.03944	6.3
66.04717	1.4
67.05510	33.1
69.07083	2.4
69.94693	2.4
79.05498	44.9
80.05838	0.6
81.03424	22.3
81.07059	46.5
91.05490	14.0
94.04191	4.9
95.04989	1.2
107.04970	1.1
107.08607	1.5
109.02878	6.6
109.06523	100.0
109.10159	15.5
110.06090	1.1
110.06825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02378	1.9
53.03949	34.5
55.01890	0.8
61.01821	0.6
65.25748	0.6
67.05521	3.4
68.53316	0.6
70.99747	1.4
71.00095	1.1
79.05493	5.6
81.03420	100.0
81.07059	6.1
91.05480	0.9
94.04180	1.2
101.01965	0.7
109.02884	99.1
109.06503	3.6
109.10204	1.6
110.03202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03947	1.4
79.05489	8.0
81.03413	6.0
81.07054	2.3
85.02914	2.5
88.11475	0.3
91.05474	3.7
93.07040	3.8
95.01310	0.4
95.04966	57.9
97.02888	11.0
97.06511	0.6
99.04459	0.8
103.05475	6.1
103.60669	0.3
105.03408	1.0
105.04506	2.8
105.07020	1.1
105.90859	0.4
107.04954	48.2
109.02878	32.3
109.06518	2.4
109.75128	0.3
119.04939	0.6
121.02908	0.5
121.06509	9.5
123.04429	14.1
125.02351	41.9
125.05980	3.8
126.02694	0.6
127.03915	4.5
131.04933	4.5
133.02835	1.6
133.06445	0.6
134.38243	0.4
135.04411	5.1
135.88326	0.4
145.04959	1.7
145.06371	0.6
147.04404	0.5
149.02353	0.4
149.05981	19.1
151.03900	100.0
152.04219	1.2
153.05469	9.6
159.04410	4.4
160.08759	0.4
166.00339	0.4
167.03404	0.5
167.07002	0.9
167.08513	0.3
169.04955	0.6
175.03886	1.0
177.05463	36.8
178.05705	0.3
189.07616	0.8
193.04932	0.6
195.06526	80.6
196.06862	0.9
213.05527	0.8
213.07582	14.7
215.05432	0.4
251.09081	0.9
261.07492	0.4
269.06595	1.0
269.09970	0.5
271.08093	0.3
277.06934	0.6
287.07510	0.5
295.08118	3.2
303.08652	1.6
321.09711	4.0
339.10754	15.4
340.11102	0.5
357.11777	23.8
375.12683	0.9
444.33459	0.3
465.13412	0.4
483.15079	0.5
489.13937	2.8
501.15909	0.6
507.14529	0.9
515.15375	1.6
519.16852	0.9
533.16382	2.4
551.17572	1.8
651.18817	1.1
677.20807	0.6
713.21753	0.4
801.91968	0.4
829.23438	0.4
863.26453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.436
Annotation	Unknow
Peak:m/z	Relative Intensity
76.19462	0.2
79.05495	0.8
81.03413	2.1
83.01352	0.3
85.02913	7.8
87.04466	1.1
91.03974	0.6
91.05466	0.6
95.05000	1.2
96.34752	0.2
97.02899	4.0
99.04462	1.0
103.05466	0.7
105.03431	0.3
105.07049	0.6
106.06581	0.5
107.04964	0.5
109.02881	1.4
109.06519	0.3
115.05488	0.6
117.05774	0.5
117.07041	1.0
118.06576	0.3
119.04959	0.2
121.06508	0.2
123.04462	0.6
127.03933	2.2
128.06253	0.3
129.07018	1.2
130.06535	4.5
131.04962	0.8
131.07285	0.4
132.08102	0.9
133.02861	0.7
133.06483	2.7
139.03976	0.3
143.07343	1.5
143.08511	0.5
144.08099	27.3
145.04994	1.3
145.06439	0.4
145.08418	0.5
147.04422	0.3
149.05988	0.6
151.03912	5.8
153.05411	0.3
154.06534	0.6
155.07317	1.9
155.08490	0.4
156.08099	9.7
157.08885	1.7
158.06056	0.3
158.09659	3.7
159.04440	0.5
163.03928	0.3
167.07326	3.1
167.08583	0.3
168.08104	6.4
169.08865	3.0
170.09665	7.1
170.11090	0.4
171.09041	0.4
172.07576	0.4
175.04033	0.3
177.05496	1.0
180.08092	6.9
181.08870	4.4
182.06108	0.3
182.09691	3.8
183.53508	0.2
184.07631	0.6
184.11145	0.4
187.12291	0.4
191.07315	0.4
192.08047	0.5
193.08917	1.0
194.09662	9.9
195.06708	0.5
195.10443	1.6
196.07573	0.5
196.11305	1.3
197.08443	0.4
198.09190	0.6
204.08116	2.5
205.08914	2.1
205.12622	0.2
206.09633	2.6
207.06696	0.4
207.10445	0.4
208.07549	2.0
208.11227	0.8
210.09169	2.4
212.07091	0.3
212.10704	1.1
217.08850	1.1
218.09698	0.9
219.10486	0.8
220.07657	0.6
220.11188	1.1
221.08415	0.7
221.11803	0.3
222.09160	12.5
222.12596	0.4
223.09944	7.2
223.12032	0.4
224.07159	0.6
224.10695	2.6
225.11458	1.1
230.09758	0.6
231.10461	1.2
232.07610	0.8
232.11256	1.5
233.08420	0.4
233.11946	0.3
234.09154	1.5
234.12675	1.2
236.07091	0.6
236.10823	0.3
236.14420	0.4
238.08638	2.7
238.12256	0.3
239.09300	0.3
240.10297	0.8
241.08916	0.3
244.11227	0.8
246.09161	0.5
246.12825	1.8
247.09979	0.5
248.10809	0.7
248.14397	0.4
249.13808	0.4
250.08667	6.8
251.09431	11.5
252.09863	0.5
252.13910	0.3
256.11371	0.4
258.09390	0.3
259.10025	0.6
260.10776	0.8
262.12280	1.4
264.10397	0.3
264.13898	1.9
266.12274	0.2
267.11356	1.5
268.09717	6.6
269.10516	6.0
269.13364	0.3
272.10614	0.3
274.12286	2.2
276.13898	2.4
278.11719	0.4
280.13345	1.5
282.14975	1.0
284.10696	0.5
285.12418	1.1
290.11795	2.0
292.13388	0.5
293.16446	0.4
294.14896	1.3
302.11786	2.9
308.12827	5.4
311.17691	0.3
319.14539	0.3
320.12869	8.7
321.13190	0.3
326.13907	6.3
337.15564	1.9
338.13910	10.3
339.14563	0.3
355.16547	3.9
488.19366	2.8
499.21375	0.4
500.19217	44.1
501.19440	2.0
517.21881	100.0
518.22235	5.0
519.22247	0.5
631.89148	0.3
1111.38013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	1.0
83.04956	0.5
84.17081	0.4
89.03914	10.1
95.04980	3.0
107.04951	2.1
111.04404	0.9
117.02646	0.7
117.03389	9.8
121.02891	3.1
127.02402	0.7
133.03470	0.7
135.04417	18.2
139.03925	0.7
141.03937	0.6
145.02779	15.2
146.03145	0.6
153.01749	0.7
153.03906	0.7
163.03900	100.0
164.04268	2.0
167.89050	0.4
169.03462	3.5
171.01378	0.8
171.05051	2.2
175.65236	0.4
179.01807	0.4
185.00748	3.0
187.04567	2.4
191.01917	0.8
193.03404	2.6
195.05009	1.6
197.02951	2.5
203.01839	5.2
203.03580	0.5
209.02928	2.9
213.06119	0.5
215.03940	2.4
219.05000	0.6
221.02951	85.3
222.03177	3.5
223.02698	0.5
223.04662	0.6
231.04964	0.6
237.00528	0.6
237.06180	0.7
239.04013	12.5
241.03743	0.6
243.04993	1.0
244.04477	1.2
245.02930	2.9
247.04553	2.9
257.05023	8.8
258.05258	0.5
259.04501	2.2
259.08481	0.4
261.06110	1.4
263.03986	5.4
263.07065	0.5
263.07672	0.5
265.05502	1.0
269.03000	0.6
269.06830	0.5
271.04507	36.4
272.04773	1.6
273.02264	0.4
273.03229	0.4
273.06171	4.2
277.05634	1.7
281.05115	0.9
283.06848	0.6
285.05988	1.8
287.04025	5.1
287.07574	1.3
289.05576	15.2
291.03622	0.8
291.07117	1.9
295.04437	2.5
295.06860	1.9
297.02740	0.7
297.06100	3.7
299.04007	11.8
300.04288	0.6
301.08032	0.6
305.05078	2.5
305.08731	2.2
307.06641	8.7
309.04770	0.7
309.08179	1.7
313.05466	5.9
315.03464	2.8
315.07169	3.0
317.05042	4.3
319.04343	0.7
321.08121	0.6
323.03638	5.0
325.07654	2.9
327.05667	1.5
331.06564	9.2
333.04486	2.0
333.08240	3.3
335.06137	2.4
337.05655	0.8
341.05017	5.3
343.08746	1.0
346.97354	0.4
347.03979	3.8
349.07672	12.3
350.08163	0.8
351.05502	0.8
351.09348	1.1
353.06857	2.1
359.06125	7.4
365.05313	2.0
367.08725	1.7
369.06680	1.4
371.08212	2.9
377.07159	45.8
378.07498	1.5
389.09305	2.7
395.08218	20.5
396.08521	0.7
413.09204	1.1
418.09949	0.7
465.08710	0.6
505.12009	0.8
507.09781	1.8
515.10175	1.0
533.11737	4.7
539.10291	14.1
540.10712	0.7
551.12476	16.7
552.12042	0.8
554.11774	1.7
557.11407	36.0
558.11597	2.4
559.11475	0.6
569.13513	5.6
575.12482	14.3
576.12445	0.7
683.20111	0.5
713.14709	0.8
731.16644	79.9
732.16962	5.9
733.17621	1.0
749.17609	6.4
772.19080	0.7
813.60040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03916	1.5
77.67532	0.6
79.05492	32.5
81.03416	4.2
81.07056	30.0
83.04970	3.4
83.08615	3.3
91.05484	25.6
92.16533	0.7
93.07042	27.2
95.04971	8.5
95.08606	23.2
97.06503	3.1
97.10145	2.9
103.05447	1.9
105.04526	1.6
105.07034	15.3
107.04952	4.9
107.08588	14.5
109.02840	0.9
109.06491	2.0
109.10146	9.4
111.04448	2.2
111.08070	2.0
115.05466	5.3
117.03445	0.8
117.07022	6.6
119.08588	9.7
121.02849	1.3
121.06519	0.7
121.10153	10.4
121.73112	0.6
123.04428	6.4
123.08060	2.0
123.11716	2.0
123.14442	0.7
125.09640	1.3
128.06204	2.7
129.07018	6.1
131.04900	2.3
131.08569	8.9
133.06488	2.1
133.10143	8.1
135.04385	1.8
135.08122	1.4
135.11679	7.0
137.05952	1.1
137.09593	1.2
137.13264	1.2
139.03876	0.7
139.05432	1.8
141.07002	5.0
143.04903	2.2
143.08571	3.2
145.02847	0.8
145.06459	4.3
145.10138	7.2
147.04405	3.2
147.08028	1.1
147.11668	5.3
149.05977	3.4
149.09610	2.7
149.13269	3.8
152.06227	1.7
153.07005	5.4
155.04929	2.4
155.08577	3.8
157.06514	5.1
157.10139	2.5
159.04379	0.8
159.07983	1.5
159.11688	2.9
160.05190	0.9
161.05975	17.1
161.13235	3.2
163.03909	11.2
163.07510	1.4
163.11191	4.8
163.14795	1.5
165.01550	0.7
165.05476	3.6
165.06989	3.0
167.04926	1.7
167.08540	3.2
169.06497	4.7
171.04431	2.4
171.08022	2.5
171.11687	0.9
173.05984	98.6
173.09406	4.7
173.13248	2.6
174.06439	1.2
175.03899	4.6
175.07550	7.4
175.11250	1.0
175.14880	1.5
177.05461	2.1
179.08519	1.5
181.06488	10.9
181.10075	1.1
183.04420	1.3
183.08060	3.6
184.05151	1.9
185.05952	9.9
186.06778	0.9
187.02455	0.7
187.03923	4.6
187.07542	24.7
189.05458	8.3
189.09128	2.0
191.03336	1.2
191.10661	3.0
193.06525	2.6
193.10170	0.8
193.12238	0.9
195.08092	4.7
197.05974	13.7
197.09573	0.9
198.06728	2.3
199.03912	4.0
199.07536	26.0
200.04668	2.1
200.08124	1.0
201.05461	33.6
201.09100	4.2
202.05907	1.0
203.06984	3.3
203.94576	0.8
205.10207	1.0
207.08051	2.8
207.11794	1.0
209.06006	2.1
209.09689	1.6
209.11563	1.0
210.06714	2.1
211.04256	0.8
211.07547	17.0
212.08302	1.6
213.05479	34.6
213.09009	13.3
214.06006	1.4
215.03439	1.3
215.07024	10.4
215.10599	1.0
217.04956	100.0
218.05310	2.3
219.07948	0.9
219.11775	1.2
221.06032	2.0
221.09515	1.2
221.13159	0.8
223.07486	4.7
223.10999	0.9
225.05447	8.2
225.09029	6.1
226.06273	2.7
227.03343	1.9
227.07030	14.3
227.10582	1.7
229.05000	14.0
229.08398	3.3
231.06348	1.7
235.07486	2.5
237.09032	3.1
239.07060	7.8
239.10625	3.5
240.07870	1.2
241.04927	3.1
241.08606	2.9
241.12218	1.7
243.06503	5.1
243.20996	3.5
247.11153	1.4
249.09138	1.6
249.12773	3.0
250.09775	1.0
251.07086	2.4
251.10641	1.6
253.08598	2.3
253.12108	0.9
255.13803	2.1
257.08148	1.5
259.20584	2.8
261.22183	14.2
263.14310	2.1
265.12100	4.2
267.10370	1.6
267.13788	8.8
269.08121	1.0
269.15527	1.2
275.10770	1.1
277.12158	1.9
281.15411	4.1
283.13348	4.5
285.14774	4.9
287.23566	1.3
291.10895	0.8
291.13733	4.2
293.11758	2.0
295.13370	1.9
297.14734	0.9
299.16446	2.8
301.11832	1.1
303.23337	1.1
309.14822	8.2
311.12823	21.1
311.16217	1.6
313.14307	14.4
317.17438	1.3
317.24799	2.8
319.13214	2.5
323.16345	1.2
327.15906	13.2
329.13821	74.8
330.14124	2.8
333.24368	2.5
335.25806	31.0
336.26031	1.1
337.14346	18.9
339.15878	3.0
344.34314	0.8
347.14587	1.7
353.13852	1.3
355.15387	35.3
356.15820	1.3
357.16962	1.8
359.18588	1.2
371.15213	0.9
373.16461	15.2
383.18170	0.8
385.16449	91.4
386.16718	3.6
387.17813	1.8
391.17352	1.5
393.17047	0.9
401.19427	1.5
403.17526	13.0
403.22650	0.8
411.18002	20.2
412.18457	0.9
413.19540	2.0
427.17572	1.3
429.19095	64.7
430.19293	2.4
431.20425	2.4
447.20032	5.6
485.18076	3.4
491.37457	0.8
497.64471	0.7
503.18686	1.4
507.20084	0.7
511.19583	2.2
529.20776	4.7
547.21753	1.4
555.34778	0.8
559.21356	1.0
571.34210	2.7
579.34644	1.0
589.35321	1.7
597.35431	2.0
603.24408	2.4
615.36639	2.5
621.25348	12.5
645.37714	9.7
661.41162	3.4
663.38983	25.1
664.39240	2.0
671.39362	6.5
672.39984	1.3
679.41382	1.0
689.28558	1.4
689.40479	28.4
690.40869	2.0
707.41547	43.8
708.41858	3.6
819.42633	1.0
837.43762	2.8
863.45056	2.7
881.46698	15.8
882.46478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01578	0.8
51.02383	2.9
53.03951	18.2
55.01877	1.6
60.49560	0.4
60.62962	0.3
62.99068	0.6
63.02346	0.3
64.46191	0.3
64.72085	0.3
65.03944	14.1
67.05513	1.9
71.15872	0.9
77.03928	7.6
77.04348	0.6
78.00654	0.4
79.05496	62.4
80.05824	0.8
81.03423	2.7
91.05485	100.0
91.55025	0.3
92.05830	0.5
92.06293	2.4
95.04974	20.5
103.05480	0.6
105.04524	11.2
105.07038	29.7
106.04178	1.3
106.07349	0.5
107.04961	82.8
107.08596	28.0
108.05296	0.9
108.08117	0.4
108.08923	0.4
109.06520	8.8
119.06074	8.6
124.05233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03929	1.5
79.05496	36.4
81.03390	3.2
81.07059	35.4
83.04965	5.9
83.08622	5.9
85.06527	2.0
89.03899	0.8
91.05483	28.5
93.03378	0.8
93.07046	33.7
93.07640	1.6
95.04971	7.9
95.08612	27.1
97.02874	1.0
97.06522	2.5
97.10176	3.4
99.08083	0.9
103.05440	2.1
105.04486	2.4
105.07036	17.3
107.04964	5.3
107.08593	17.0
109.02897	0.9
109.06503	1.4
109.10149	9.3
111.04436	1.4
111.08075	1.2
115.05441	6.0
116.06197	1.0
117.03334	1.5
117.07018	7.4
119.08580	10.4
121.02863	1.8
121.06433	0.8
121.10149	13.8
123.04427	2.7
123.08060	1.1
123.11709	2.7
125.09611	2.1
127.05367	1.0
128.06197	2.0
129.07008	4.7
131.04941	1.4
131.08563	10.5
133.06453	2.0
133.10129	7.2
135.04399	1.7
135.11699	8.8
137.09610	1.2
139.03850	0.9
139.05446	1.2
141.06978	4.8
143.04922	1.8
143.08542	2.3
145.06479	3.4
145.10127	8.0
147.04379	2.9
147.08041	0.9
147.11691	5.3
149.05890	3.3
149.09607	2.7
149.13254	3.6
152.06171	1.4
153.07010	5.7
155.04930	2.6
155.06073	0.9
155.08557	3.8
157.06470	5.3
157.10124	1.9
159.08029	1.0
159.11687	3.4
160.05206	0.8
161.06000	16.0
161.13266	2.9
163.03915	12.4
163.11160	4.5
163.14822	2.2
165.05463	4.1
165.06996	4.2
167.04942	1.6
167.08562	3.0
169.06514	4.7
169.10117	1.1
171.04367	1.9
171.08098	2.4
173.05988	95.9
173.09386	3.3
173.13246	3.0
174.06337	2.1
175.03894	2.9
175.07503	5.3
177.05475	3.2
177.06943	0.9
179.08562	2.4
181.06488	10.4
181.10179	1.1
183.08057	2.6
184.05070	1.0
185.05966	9.7
185.09619	0.9
187.03923	2.8
187.07545	22.7
187.14812	1.0
188.07944	1.0
189.05481	9.1
189.09090	2.5
191.03461	2.0
191.08655	0.7
191.10695	4.0
193.06474	2.0
193.10120	0.8
195.08055	4.7
197.06009	11.6
197.09702	1.2
198.06798	2.2
199.03900	2.0
199.07541	27.5
200.04578	0.8
200.08020	1.0
201.05473	37.8
201.09058	4.7
203.06999	3.2
207.08099	2.4
209.06084	1.1
209.09636	1.7
210.06772	1.9
211.04089	0.7
211.07549	17.4
212.08263	1.5
213.05504	23.3
213.09053	12.8
215.03523	0.8
215.07040	9.4
215.10583	1.4
217.04964	100.0
218.05336	1.8
219.08080	1.2
219.11639	1.0
221.05991	1.9
221.09512	2.0
221.13268	1.1
223.07516	5.5
224.08182	0.9
225.05478	9.9
225.09018	6.1
226.06215	2.0
226.09929	0.8
227.03445	1.2
227.07054	13.5
227.10707	2.5
228.07811	0.8
229.04971	16.5
229.08652	2.7
231.06554	2.3
233.09692	1.3
233.22639	0.8
235.07523	1.9
237.05286	0.8
237.09081	1.0
237.12724	1.0
239.07018	6.1
239.10786	2.3
241.04953	3.2
241.08612	3.3
241.12236	2.7
241.19566	0.8
243.06540	5.9
243.21078	3.2
245.13287	0.9
247.11269	1.2
249.09149	2.4
249.12772	3.4
250.09937	1.1
251.06892	1.3
251.10658	1.4
252.11365	0.9
253.08621	1.6
253.12236	1.4
254.09190	0.8
255.06335	0.7
255.13831	1.2
257.08035	1.2
259.20615	2.8
261.22131	13.7
263.14334	1.8
265.12155	4.0
267.13824	8.3
273.07568	1.2
273.12628	1.6
275.10599	1.5
281.15384	3.5
283.13354	5.9
283.16159	1.0
285.14743	5.2
286.15155	0.7
291.13785	3.4
293.11816	2.9
293.15228	1.1
295.13409	2.5
299.16400	2.0
301.12076	1.4
309.14871	6.6
311.12830	24.5
311.16190	1.6
313.10693	0.5
313.14331	15.2
313.21826	0.8
317.17642	1.0
317.24783	2.7
319.13327	1.6
323.16519	1.0
325.14545	0.8
327.15912	11.0
327.19473	1.2
329.13837	76.0
330.14093	3.2
333.24271	2.3
334.49854	0.8
334.87210	0.8
335.25812	51.3
336.26093	1.7
337.14337	14.3
338.14719	0.8
339.15936	0.8
341.17542	0.8
347.14853	1.6
351.00482	0.7
353.13803	2.0
355.15421	35.2
356.15863	2.0
357.16953	1.3
359.18558	1.5
367.15369	1.0
371.14886	0.9
373.16455	14.9
374.16763	0.8
385.16473	93.4
386.16895	2.8
387.18149	1.4
391.17612	1.6
395.18387	1.0
401.19678	1.3
403.17538	22.4
404.17505	0.9
405.76999	0.7
411.18079	9.1
417.26437	1.6
427.17578	1.4
429.19131	61.7
430.19565	2.1
435.26978	1.0
447.20233	8.1
485.18048	2.4
511.19922	0.8
529.20612	2.0
547.21869	1.0
559.21820	1.5
569.36963	1.0
571.34161	2.3
585.23016	1.0
589.34955	1.7
597.35803	2.3
603.24054	1.8
615.36951	2.6
621.25470	7.5
627.36481	0.9
633.37183	0.9
635.38916	0.8
645.37830	9.6
661.40906	3.4
663.38892	48.7
664.39093	2.6
671.39789	3.4
689.40417	28.0
690.40625	2.0
707.41547	62.7
708.41547	3.5
819.42889	1.2
837.43744	2.7
863.45129	2.5
881.46777	18.1
882.46863	1.5
899.47852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01598	1.1
51.02388	3.7
53.03952	26.2
53.05979	0.3
54.04279	0.3
55.01867	1.4
71.00375	0.7
71.00709	0.4
77.03937	9.8
78.04719	0.4
79.05499	20.7
81.03429	2.7
95.04975	21.4
98.21432	0.4
105.04528	12.6
107.04963	100.0
108.05294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01602	0.6
51.02384	3.8
53.00291	0.4
53.03948	28.1
55.01859	1.5
61.33435	0.4
65.03917	0.7
70.74569	0.8
77.03934	10.6
78.04697	0.5
79.05497	43.5
80.05821	0.5
81.03432	2.9
91.05495	2.9
95.04971	24.6
104.88817	0.5
105.04518	12.9
105.07014	0.9
107.04959	100.0
108.05287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05511	0.4
81.03428	2.2
85.02911	9.9
87.04476	0.9
91.03963	0.7
91.05475	0.4
95.04966	1.4
97.02905	4.6
98.21552	1.3
98.76990	0.3
99.04499	0.7
103.05457	0.8
105.07016	0.5
107.04955	0.5
109.02892	1.8
109.06552	0.4
115.05465	0.6
115.39021	0.3
117.05729	0.4
117.07038	0.4
118.06535	0.4
121.06503	0.6
123.04465	0.7
127.03926	2.5
129.07022	1.2
130.06541	4.4
131.04962	1.1
132.08116	1.2
133.02866	0.6
133.06516	3.0
135.04428	0.4
142.64378	0.3
143.07336	1.8
144.08096	32.6
145.04991	1.3
145.08469	0.7
146.09712	0.4
149.05995	0.7
151.03918	6.6
154.06465	0.4
155.07336	2.2
156.08099	10.0
157.08917	2.1
158.05965	0.4
158.09679	3.3
159.04388	0.5
167.07315	3.3
167.08546	0.4
168.08101	6.5
169.08887	3.7
170.09651	6.6
171.09171	0.5
177.05505	1.2
180.08093	6.4
181.08885	4.9
182.09671	4.6
184.07550	0.4
186.09201	0.4
187.12439	0.4
192.08005	0.8
193.08913	0.7
194.06027	0.5
194.09660	10.6
195.06737	0.9
195.10446	2.0
196.07541	0.5
196.11256	1.4
198.09099	0.5
204.08081	2.4
205.08884	2.4
206.09624	2.9
207.06856	0.5
208.07558	2.5
208.11240	0.9
209.08205	0.4
210.09192	2.4
212.10716	1.2
217.08873	1.1
218.09660	1.3
219.10410	0.8
220.07613	0.8
220.11177	1.3
221.08255	0.7
222.09160	13.4
222.12657	0.8
223.09943	9.2
223.11964	0.3
224.07169	0.7
224.10738	2.9
225.11526	1.4
226.08551	0.4
230.09782	0.7
231.10515	1.3
232.07677	0.7
232.11247	1.3
233.08350	0.8
233.11845	0.6
234.09154	1.2
234.12872	1.1
236.07181	1.1
236.10645	0.6
236.14322	0.6
238.08638	3.3
240.10345	0.4
243.10489	0.4
244.11282	0.6
246.09163	0.6
246.12819	1.3
247.09891	0.5
248.10846	1.0
249.07970	0.5
250.06207	0.2
250.08669	7.5
251.09433	13.3
252.09995	0.8
256.11533	0.5
258.12860	0.6
259.10046	0.8
260.10724	0.7
262.12326	1.4
264.13864	2.6
267.11349	1.1
268.09689	7.4
269.10501	7.4
272.10510	0.5
274.12262	3.0
276.13904	2.2
280.13367	1.2
282.14957	1.1
284.10815	0.4
285.12427	0.9
290.11725	2.2
292.13461	0.9
294.14816	2.0
302.11758	4.3
308.12872	5.6
319.14807	0.5
320.12827	9.3
321.13141	0.5
326.13895	6.6
337.15527	2.8
338.13882	11.1
355.16672	4.4
488.19254	3.3
500.19214	48.0
501.19452	1.4
517.21881	100.0
518.22101	4.9
524.72278	0.4
931.74664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03919	0.7
79.05499	13.6
80.55192	0.4
81.03423	38.8
81.07061	11.4
83.04996	3.8
83.08622	8.0
85.02879	0.7
85.06533	0.6
91.05482	14.5
93.07051	7.2
94.64931	0.4
95.04968	16.2
95.08607	5.8
96.78420	0.5
97.02887	1.2
97.06507	1.6
97.10182	3.0
103.05470	0.9
105.07040	8.4
107.04964	6.6
107.08580	3.6
109.02860	0.8
109.06530	6.8
109.10159	2.0
111.04434	1.9
111.08073	2.6
113.72175	0.5
115.05455	3.4
117.07020	2.8
119.04887	0.6
119.08579	8.3
121.02859	1.5
121.06519	3.2
121.10161	3.8
123.04456	5.0
123.08071	2.8
125.09663	1.0
127.05421	0.5
128.06226	1.1
129.07024	7.5
131.04883	1.2
131.08588	6.1
133.06494	3.1
133.10130	3.7
135.04453	1.2
135.08031	2.6
135.11668	1.3
137.06003	0.7
137.09596	0.6
139.03857	0.8
139.05449	1.0
141.06961	2.4
142.07799	1.4
143.08572	0.9
144.08076	1.1
145.02835	0.9
145.06453	2.0
145.10143	3.8
147.04408	2.0
147.08049	1.9
147.11676	4.5
149.05972	1.5
149.09622	3.8
151.03842	0.7
153.07010	3.5
155.04913	1.4
155.08548	2.1
157.06464	2.7
157.10117	4.6
161.06000	10.9
163.03925	7.8
163.11177	4.4
165.05478	2.1
165.06992	1.5
167.04977	0.6
167.08542	1.7
169.06502	2.5
171.08057	1.7
173.05992	68.0
173.09445	3.0
173.13385	0.9
174.06366	1.3
175.03938	2.8
175.07587	4.1
175.11182	3.3
177.05460	1.7
179.08580	1.2
181.06496	6.3
183.08098	2.3
185.05968	6.4
186.06752	0.7
187.04008	2.7
187.07545	13.7
187.09187	0.9
188.07933	0.5
189.05493	4.8
189.09152	1.5
191.03372	1.4
191.10686	3.1
191.14302	2.7
193.06552	1.6
193.10425	1.1
193.12253	11.5
195.08058	2.8
197.05975	7.0
197.09618	1.3
198.06828	0.7
199.03876	1.7
199.07555	20.2
201.05463	23.4
201.09113	2.3
203.07028	2.1
207.08122	1.1
207.81059	0.5
209.06099	0.6
209.09578	0.7
210.06773	1.9
211.07578	8.8
211.13268	1.2
212.08295	1.3
213.05504	12.2
213.09061	8.7
214.06013	0.6
215.03415	0.6
215.07036	6.3
217.04971	85.6
218.05331	1.9
219.08159	0.7
219.11829	1.0
219.13797	21.3
220.08899	0.7
221.09602	1.3
223.07509	3.3
223.13278	0.8
224.08286	0.9
225.05524	5.1
225.09097	4.0
226.06195	1.5
227.03497	0.7
227.07039	9.4
227.10713	1.8
228.07718	0.6
229.04985	10.4
229.08629	1.5
231.06342	0.9
235.07509	1.4
235.11197	0.7
236.08305	0.7
237.05499	0.6
237.09151	2.2
237.12770	1.0
239.07034	3.7
239.10686	1.5
241.04932	2.6
241.08589	2.0
241.12209	0.8
243.06444	2.8
247.07597	0.7
247.11139	0.9
248.08417	0.7
249.09096	1.8
249.12688	1.4
249.14937	1.1
250.09895	0.8
251.06937	0.6
251.10724	1.2
253.08574	1.5
255.06534	1.2
255.13792	2.0
257.08163	0.7
257.15344	1.0
263.07040	1.0
263.12640	2.3
265.08530	1.3
265.12219	3.4
267.13788	2.9
267.16052	19.9
268.16620	0.5
269.08008	0.7
275.10556	1.1
277.12213	1.1
281.15347	2.3
283.13333	4.8
285.14777	3.1
291.13931	2.4
293.11728	1.8
293.17496	1.1
295.13135	0.6
299.16373	0.9
303.16034	0.7
309.14752	2.4
311.12823	23.3
313.14322	8.0
317.17682	0.5
319.15521	2.2
327.15866	4.7
329.13849	63.3
330.14157	1.9
331.16107	0.6
337.14093	8.2
339.15933	0.6
347.14963	1.1
353.18631	1.1
355.15405	15.9
356.15424	0.9
363.16019	0.8
373.16501	7.8
377.17429	0.7
383.14557	0.6
385.16479	100.0
386.16776	3.5
387.18097	1.0
391.17560	0.8
401.19659	0.6
403.17526	12.5
411.17984	3.6
429.19122	26.6
430.19415	1.6
447.20200	4.4
475.24597	1.0
485.17960	3.3
487.24445	0.6
501.26260	1.5
503.24652	1.0
519.27124	0.9
521.25378	0.8
529.18915	0.8
529.26752	4.5
532.92181	0.5
547.27374	4.3
559.21429	1.4
565.28076	2.7
567.29498	0.8
575.30072	1.5
577.29010	4.3
593.31360	3.3
595.28967	25.3
596.29089	1.1
603.29736	16.3
604.29572	0.9
621.31104	47.2
622.31232	2.5
639.31641	34.4
639.47443	0.7
640.31781	1.9
683.14008	0.6
703.31049	0.7
721.31781	0.8
751.33020	1.6
769.34558	3.0
777.34698	1.2
795.35852	4.7
813.36914	27.3
814.37061	1.2
828.27631	0.6
831.37366	2.1
855.30042	0.6
1080.05493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
51.02374	2.6
53.03950	16.8
55.01870	0.9
61.99020	0.6
65.03928	1.9
71.48634	0.6
71.49036	0.9
77.03933	4.1
79.05498	50.4
81.03415	1.3
83.02627	0.6
83.21296	0.6
95.04980	14.0
96.04520	0.9
98.90854	0.7
103.05473	35.9
104.05725	0.8
105.03401	1.0
105.04537	8.0
105.07034	100.0
106.06554	4.4
106.07307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	0.9
74.14407	0.5
79.05482	1.3
81.03407	3.0
83.01331	0.6
85.02434	0.8
85.02909	9.2
87.04465	1.1
91.05487	0.6
93.41417	0.5
95.04951	2.8
97.02901	4.7
103.05476	1.5
105.07067	0.8
106.06551	0.5
107.04951	0.9
109.02882	1.7
117.07009	0.7
121.06522	0.5
123.04440	1.9
127.03927	2.1
128.06226	0.5
129.07011	1.9
130.06512	3.6
131.04919	0.7
132.08115	0.7
133.02925	1.1
133.82944	0.4
137.06013	0.6
139.03935	0.6
143.07312	1.6
144.08093	28.2
145.05008	0.8
145.08455	0.6
149.06015	0.9
151.03925	1.7
154.06456	0.5
155.07265	1.8
156.08099	10.7
156.09320	0.8
157.08841	1.3
158.09653	4.7
159.04454	1.0
165.05484	11.7
167.06056	0.5
167.07265	3.2
167.08542	0.7
168.08093	6.7
169.08891	2.8
170.09674	6.5
173.10777	0.6
177.05551	0.7
180.08087	8.1
181.08884	4.4
182.09695	4.9
191.07036	3.2
192.08205	0.7
193.08818	0.6
194.09679	9.6
195.10332	1.1
196.11163	0.6
198.09103	0.7
203.07062	1.2
204.08112	3.5
205.08904	2.1
206.09668	3.0
208.07643	2.4
208.11375	0.7
209.07991	0.4
210.09178	1.1
217.08908	1.5
218.09660	1.5
219.10417	0.6
219.16035	0.5
220.07698	0.5
220.11237	1.7
222.09158	12.8
223.09937	6.6
230.09630	1.2
231.10417	2.4
232.07559	0.9
232.11148	3.1
233.08281	1.0
234.09120	1.6
234.12730	1.0
236.07047	0.6
238.08652	2.2
241.08810	0.8
244.11281	0.9
246.12836	2.9
249.13962	0.9
250.08661	7.7
250.11214	0.6
250.12460	0.9
251.09435	9.4
252.10147	0.8
254.11832	1.3
256.11316	2.3
258.09113	0.6
259.09943	1.2
260.10608	0.8
262.12253	1.3
264.10306	0.5
264.13870	0.8
267.11234	0.5
270.11313	0.6
272.10754	0.5
274.12234	5.6
280.13397	1.0
282.11240	6.7
283.11966	5.1
284.10641	0.7
290.11856	1.6
292.10391	0.5
292.13400	1.5
299.13910	0.6
302.11758	6.2
306.15070	0.6
308.12802	3.0
320.12881	4.6
322.14301	2.9
334.14365	10.1
335.15009	0.5
337.15546	1.1
340.15436	5.0
351.17029	2.0
352.15445	12.7
369.18195	6.0
502.20660	1.0
514.20795	43.3
515.21356	2.6
531.23413	100.0
532.23859	4.7
638.98627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02381	2.4
53.03714	1.0
53.03953	15.2
55.51569	0.5
57.38271	0.5
60.03319	0.6
65.03949	1.7
67.24841	0.7
70.82602	1.7
77.03941	4.0
79.05502	47.7
81.03430	1.4
81.84722	0.6
95.04981	11.2
103.05482	32.9
105.04549	7.7
105.07042	100.0
106.06566	5.7
106.07305	1.2
116.09650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
73.29552	0.1
77.38995	0.1
79.05479	0.1
86.09706	31.6
87.10034	0.2
95.08598	0.1
97.64610	0.1
98.98467	6.1
104.10742	4.2
104.11433	0.2
116.99486	0.1
125.00006	23.6
126.00329	0.1
143.01041	0.1
163.03981	0.1
173.05936	0.2
184.07344	100.0
185.07661	0.5
195.08043	0.1
227.07175	0.1
240.02231	0.1
256.26410	0.2
335.26059	0.1
407.60657	0.1
411.82794	0.1
496.34030	0.2
798.73651	0.1
850.48529	0.7
886.63617	0.1
1024.55017	0.1
1042.55054	16.6
1043.55347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1044.465
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	1.0
79.05070	1.7
79.05492	23.2
81.03420	15.3
81.06604	1.2
81.07057	18.8
82.04185	1.5
83.04981	9.1
83.08622	7.4
83.39240	0.9
85.02891	2.3
85.06522	1.5
86.09691	1.2
91.05489	21.9
93.03388	0.9
93.07049	15.1
95.04970	13.5
95.08608	9.8
97.02866	2.0
97.06529	5.2
97.10155	5.2
98.07299	1.9
103.05433	2.4
103.29012	1.0
105.04525	1.1
105.07034	12.6
107.04955	8.7
107.08611	8.0
109.02903	1.2
109.06521	2.3
109.10163	6.3
111.04414	4.5
111.08060	3.9
113.97296	1.0
115.05428	5.8
116.04700	2.2
117.05469	1.5
117.07023	5.5
119.08578	7.5
121.02821	2.3
121.06512	1.9
121.10191	5.6
123.04420	4.1
123.08060	3.7
125.05946	1.2
125.09634	7.9
127.11264	1.2
128.06215	2.5
129.05496	8.3
129.07007	7.6
131.04922	3.1
131.08577	7.6
133.06520	3.5
133.10138	4.1
135.04387	1.4
135.08054	2.4
135.11682	2.9
137.06007	2.4
137.09628	1.8
139.03914	1.0
141.07011	4.8
143.04903	3.4
143.06969	1.8
143.08585	1.6
144.08080	3.2
145.06474	4.4
145.10150	6.6
147.04393	3.4
147.08031	1.8
147.11684	3.2
149.05974	3.6
149.09630	3.4
152.06198	2.0
153.07024	7.3
155.04903	3.2
155.08528	2.0
157.06532	5.3
157.08595	3.4
157.10008	2.4
160.05168	1.2
161.05975	17.1
163.03905	12.4
163.07526	2.0
163.11189	9.3
164.08662	1.0
165.05571	2.3
165.06967	3.5
167.04860	1.3
167.07074	1.7
167.08583	3.3
169.06480	4.1
171.04462	1.6
171.06584	2.0
171.08026	2.2
171.10162	2.0
173.05991	93.5
173.09457	5.3
174.06566	2.2
175.03908	5.0
175.07579	8.2
175.11217	3.1
176.27792	1.0
177.05449	3.1
177.06931	0.9
179.03419	3.4
179.08629	1.8
181.06497	10.9
181.12088	1.5
182.07072	1.0
183.08066	4.3
184.05331	1.0
184.07355	3.6
185.05978	10.5
186.06635	1.4
187.03908	4.7
187.07555	22.6
189.05463	10.0
189.09090	1.9
189.11200	1.2
191.03391	4.0
191.07079	1.3
191.10687	5.1
193.12257	5.0
195.08177	5.0
197.05966	10.9
198.06786	2.5
199.03947	3.0
199.07550	24.7
199.13397	3.0
200.04759	1.2
201.05466	36.2
201.09143	2.9
201.14859	2.0
203.07027	2.7
207.08067	2.5
209.05971	2.2
209.09801	1.8
209.11705	5.0
210.06721	1.7
211.07541	13.5
211.13287	6.1
212.04735	1.1
212.08263	2.6
213.05487	22.3
213.09062	13.2
215.03436	1.9
215.07030	11.5
215.10484	1.2
217.04961	100.0
218.05365	3.9
221.05981	1.3
221.09578	1.1
223.07539	5.9
225.05502	9.9
225.09012	5.7
226.06055	2.2
227.07010	13.7
227.10710	2.2
227.12793	4.8
229.04968	15.5
229.08455	2.1
229.14360	1.8
230.05629	1.5
231.06386	1.5
235.07570	2.0
237.05536	1.9
237.09129	2.7
239.07161	5.3
239.10730	2.3
241.05009	4.9
241.08554	3.1
241.12160	2.4
243.06558	5.0
243.10104	1.1
249.09149	1.6
249.12885	1.8
251.07040	2.4
251.10645	2.0
253.08615	3.2
253.12280	1.1
255.06511	2.8
255.13741	2.0
257.08096	1.4
263.07242	1.2
263.10599	1.6
265.12000	5.0
267.13467	6.3
267.15982	3.9
268.16406	1.2
273.07489	2.0
275.10599	2.0
277.12256	1.7
281.15338	3.6
283.13132	4.9
283.15866	8.0
285.14804	3.2
287.12805	5.4
291.13742	2.8
293.11591	3.0
295.13400	1.7
299.16333	1.4
301.16534	14.8
309.14777	5.0
311.12805	26.8
311.16037	1.0
313.14282	9.9
319.13153	2.2
323.16550	1.1
325.14252	3.0
327.12228	2.8
327.15952	7.6
329.13855	86.2
337.14307	12.4
339.15756	1.4
345.13229	1.4
347.14957	2.1
353.13757	8.6
353.18024	1.7
354.18863	1.1
355.15421	33.1
371.14911	7.7
373.16544	11.5
385.16464	69.7
386.16724	1.5
387.18063	1.7
401.15515	1.7
402.17020	1.3
403.17572	14.9
411.17929	6.0
421.16141	1.4
427.17603	3.2
429.19125	38.6
430.19461	1.1
445.18521	4.1
447.20313	5.0
453.23105	2.3
455.22302	1.2
471.24091	1.5
475.25735	1.0
485.18045	2.8
491.23572	1.2
501.22281	4.0
503.18463	1.2
519.23358	1.9
527.26471	7.9
529.20392	2.7
557.27008	3.2
565.27484	1.9
567.29254	1.8
571.29083	2.7
583.28540	1.6
585.23273	2.0
587.28076	2.6
593.27472	2.5
595.28870	3.2
601.28961	1.5
609.30261	1.2
611.28217	4.4
619.28790	2.6
621.24664	5.7
629.29468	12.5
631.30835	1.6
637.30359	9.1
638.30206	1.6
639.31384	1.4
655.31250	12.6
673.32098	15.3
813.37634	1.7
829.35522	3.7
847.37323	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	5.6
59.07386	1.6
60.08167	51.8
69.67287	0.2
69.67509	0.6
69.67924	0.5
98.20734	0.3
104.10748	100.0
105.11089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.346
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	1.0
79.05489	1.0
81.03431	2.7
83.01304	0.5
85.02911	8.6
87.04468	1.1
88.67825	0.4
89.03918	0.9
91.03967	0.7
91.05482	1.0
95.04967	2.0
95.21684	0.3
96.50043	0.4
97.02911	4.5
99.04461	0.9
103.05453	0.9
105.07022	0.7
107.04964	0.8
109.02897	1.2
115.05486	0.5
117.07024	0.5
118.06555	0.4
121.06492	0.4
123.04457	0.6
127.03934	2.3
128.06253	0.6
129.07019	1.4
130.06554	5.1
131.04933	0.9
131.07315	0.3
132.08089	1.0
133.02853	0.6
133.06491	3.1
135.04433	1.2
137.02197	0.4
143.07327	1.4
143.08525	0.6
144.08098	27.9
145.02866	1.0
145.04984	1.2
149.06012	0.5
151.03923	7.4
154.06543	0.7
155.07306	2.0
156.08104	10.8
157.08873	2.0
157.48640	0.4
158.09677	3.6
159.04431	0.6
163.03926	7.7
167.07333	3.0
167.08566	0.6
168.08112	7.2
169.08922	2.7
170.09676	7.6
171.09192	0.9
172.07463	0.5
177.05531	0.8
180.08095	6.5
181.08878	4.2
182.09656	4.2
187.12454	0.4
192.08075	0.8
193.08905	0.9
194.09679	11.5
195.06680	0.5
195.10454	1.6
196.11243	0.9
197.08418	0.6
198.09215	0.5
204.08084	3.3
205.08894	2.7
206.09680	3.0
207.10434	0.8
208.07640	2.7
208.11284	0.9
210.09180	2.2
212.10669	1.0
217.08913	1.1
218.09743	0.9
219.10542	0.7
220.07713	0.8
220.11327	1.2
221.08426	0.9
222.09166	13.6
222.12546	0.6
223.09937	8.7
224.07207	0.5
224.10837	2.8
225.11488	1.2
230.09813	1.0
231.10425	1.3
232.11288	1.4
233.08336	0.9
234.09146	1.6
234.12813	1.0
236.07141	0.5
236.10738	0.4
238.08636	3.1
239.09415	0.5
240.10211	0.5
244.11269	0.8
246.09155	0.6
246.12828	1.6
247.09982	0.4
248.10695	0.5
248.14641	0.5
250.08670	7.5
251.09445	12.8
252.10057	0.5
256.11377	0.6
259.10062	0.5
260.10864	0.6
262.12350	1.5
264.13812	2.4
267.11295	1.3
268.09689	7.2
269.10474	6.7
269.13074	0.7
274.12372	2.8
276.13794	2.2
280.13318	1.0
282.14874	0.9
285.12405	0.9
290.11877	1.7
292.13324	1.1
293.16858	0.4
294.14868	1.4
302.11743	2.7
308.12827	4.5
311.17554	0.5
320.12860	8.7
326.13910	5.6
337.15509	1.7
338.13901	11.0
355.16681	3.4
488.19257	3.1
499.12708	0.7
500.19217	47.0
501.19348	1.0
517.21881	100.0
518.22205	2.8
781.32599	0.4
914.68225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.9
53.03949	25.7
56.96562	1.1
57.03430	0.9
70.53566	1.5
70.53897	1.3
71.01354	2.0
72.00854	0.8
77.03931	7.2
81.03422	3.3
85.02866	2.2
87.76437	0.8
92.80875	0.8
93.08600	0.8
95.04971	20.8
99.02610	0.7
102.04699	3.7
103.05472	100.0
104.05816	1.2
105.04504	11.2
108.75846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.9
51.02376	3.7
53.03950	31.0
55.01861	2.1
56.96560	2.8
57.03437	1.2
58.40728	0.6
60.08157	1.3
60.37896	0.7
60.95847	2.6
64.05804	0.6
69.27484	6.0
75.94553	0.7
77.03934	7.8
81.03434	4.0
81.63713	0.5
85.02898	2.0
95.04971	26.5
95.05580	1.4
98.20718	1.1
102.04691	5.6
102.38770	0.6
102.96875	1.3
103.04057	3.6
103.05473	100.0
104.05843	0.8
104.10757	2.3
105.03858	1.1
105.04524	14.7
111.64281	0.6
120.97996	0.8
121.01649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.1
51.02374	2.3
53.03951	21.8
71.09308	1.5
74.93640	0.6
77.03928	6.6
80.40422	0.6
81.03413	2.4
95.04964	17.7
102.04697	3.9
103.05471	100.0
104.05801	1.2
105.04518	10.1
119.60421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.7
50.86502	0.6
51.02378	2.5
53.03952	23.8
55.01865	1.0
69.45818	4.7
74.25299	0.8
77.03938	7.1
81.03420	1.7
95.04974	21.0
102.04723	4.3
103.05476	100.0
103.89926	0.7
104.05833	1.2
104.10724	0.9
105.04518	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	1028.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01357	0.4
71.04999	2.7
72.69364	0.4
77.03916	0.6
79.05498	14.1
81.03421	25.5
81.06590	0.9
81.07053	14.4
83.04984	6.8
83.08621	8.1
85.02907	7.3
85.06538	1.3
91.04901	0.9
91.05483	19.4
93.07052	8.6
95.04976	11.8
95.08059	0.6
95.08611	7.0
97.02877	1.6
97.06552	2.3
97.10162	2.7
101.06042	0.5
103.05450	1.4
105.04509	1.0
105.07036	11.1
107.04960	5.9
107.08591	4.2
109.02858	0.7
109.06508	2.8
109.10148	1.5
111.04448	1.8
111.08084	2.7
113.06064	0.7
115.05445	3.3
117.03374	0.7
117.07010	2.1
118.35181	0.4
119.07804	0.9
119.08588	9.0
120.32140	0.5
121.02870	1.6
121.06506	1.7
121.10148	3.5
123.04446	2.5
123.08041	1.6
125.09608	1.3
128.06235	1.5
129.07002	7.3
131.04948	1.3
131.08580	6.6
133.06525	2.4
133.10149	5.2
135.04398	0.6
135.08041	0.5
135.11685	1.3
137.09631	1.1
139.03841	0.6
139.05438	0.8
141.06975	2.3
142.07779	1.5
143.04921	0.8
143.08519	0.6
145.02861	0.6
145.06473	1.5
145.10176	3.1
147.04410	2.0
147.08073	1.7
147.11711	5.3
149.06006	1.3
149.09624	3.9
153.06981	3.9
155.04912	1.1
155.06032	0.6
155.08578	1.9
157.06491	1.8
157.10120	6.3
161.05994	10.4
163.03928	6.2
163.11172	3.2
165.05489	2.3
165.07016	1.6
165.12778	1.4
167.04950	0.5
167.07126	0.8
167.08572	1.8
169.06522	2.5
171.04407	0.6
171.08025	1.2
173.05989	67.9
173.09357	2.8
174.06381	0.9
175.03966	2.2
175.07579	2.9
175.11208	5.7
177.05513	0.7
179.08577	1.0
181.06479	5.3
181.10146	0.6
183.04437	0.9
183.08066	2.4
184.07344	1.1
185.06010	4.6
187.03911	1.9
187.07552	13.5
189.05453	4.5
189.09109	0.8
191.03397	1.3
191.07079	0.5
191.10672	1.9
193.06541	1.2
193.10425	0.6
193.12253	18.0
195.08113	2.5
197.06004	6.8
197.09677	0.6
198.06737	1.1
199.04044	0.9
199.07547	16.7
199.09401	0.8
201.05470	25.9
201.09126	1.6
203.06998	1.5
203.08620	0.6
205.04855	0.7
207.08049	1.5
209.06090	0.9
209.09746	1.0
210.06779	1.0
211.07574	9.0
211.13290	32.8
212.08226	0.7
212.13678	0.9
213.05528	8.9
213.09088	8.8
214.06364	0.6
215.03433	0.6
215.07060	5.8
215.10571	0.7
217.04965	86.4
218.05264	0.7
219.11919	0.7
219.13802	2.5
221.09698	0.7
223.07544	2.3
224.08328	0.6
225.05501	5.0
225.08987	3.4
226.06248	1.4
226.09721	0.9
227.07042	8.5
227.10623	2.1
227.12643	0.6
229.04990	9.5
229.08604	1.3
231.06592	1.4
235.14917	0.7
236.08083	0.6
237.09167	1.4
237.12704	0.6
238.10019	0.7
239.07027	2.7
239.10655	1.8
241.04990	2.0
241.08656	2.6
241.12204	1.3
243.06454	2.3
247.11029	0.8
249.09201	0.9
249.12677	1.8
249.14925	1.0
250.09818	0.7
251.07126	0.6
251.10698	0.8
253.08618	1.0
255.13869	1.4
257.08017	0.9
257.15424	1.0
263.07208	0.6
263.10623	0.6
263.14465	0.6
265.12216	2.6
265.14694	0.9
267.13416	3.8
267.16241	5.2
273.07675	0.8
275.10733	1.2
281.15363	2.2
283.13361	4.3
285.17151	12.2
291.13809	2.5
293.11746	2.5
295.13110	0.7
299.16422	1.2
309.14743	2.4
311.12796	22.3
312.13052	0.7
313.14313	7.7
319.13116	0.9
323.16434	0.5
327.15912	5.2
329.13840	65.0
330.14227	1.9
337.14279	6.3
338.14648	0.6
347.15063	0.9
355.15405	19.3
356.15677	0.8
367.17307	1.0
373.16467	8.6
385.16461	100.0
386.16736	2.4
387.18073	0.5
401.19611	1.2
403.17502	10.4
411.18100	2.6
429.19116	36.1
430.19232	1.1
433.76276	0.5
447.20154	4.6
485.18198	2.9
492.00012	0.6
503.18478	0.7
521.25238	0.7
529.20599	1.5
541.21039	0.6
547.27686	0.8
577.28253	3.9
593.31195	1.1
595.29047	21.1
596.29364	1.0
603.29456	1.9
611.31531	0.6
613.30109	16.6
614.30359	0.9
621.31543	10.4
639.21436	0.9
639.31689	15.2
640.31274	0.8
657.32739	14.5
658.33173	0.7
736.06348	0.6
751.32898	0.8
769.34326	3.6
787.35278	1.4
795.34674	1.2
813.36725	4.8
831.37848	8.2
934.28070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04998	7.0
71.48859	2.7
73.02934	2.8
77.03960	2.7
79.05500	79.8
81.03424	21.3
81.07059	100.0
83.04995	20.3
83.08613	22.4
85.02929	12.2
85.06546	6.1
91.05484	79.4
93.07049	72.5
94.75437	2.4
95.04983	18.5
95.08611	50.8
97.02900	13.1
97.06535	24.5
97.10168	10.8
99.04461	5.2
99.08097	3.1
103.05474	3.8
105.04543	2.5
105.07035	69.0
107.04945	13.0
107.08592	51.6
109.02866	3.4
109.06531	15.0
109.10187	22.9
111.08073	7.9
115.05486	3.6
117.07018	25.6
119.08595	43.2
121.06533	6.0
121.10159	23.9
123.08058	8.5
123.11737	5.8
125.06157	2.6
125.09633	10.4
127.03928	6.1
128.06276	4.1
129.05530	2.9
129.07024	13.8
131.08575	36.7
133.10155	35.3
135.08134	6.2
135.11691	26.4
137.09634	7.6
141.07028	7.2
143.08548	13.1
145.10138	34.0
147.08093	4.3
147.11696	18.6
149.09627	20.1
149.13258	18.8
151.11147	3.5
154.07764	2.7
155.08557	7.7
157.10197	9.8
159.08020	2.9
159.11685	25.9
161.09602	3.6
161.13263	8.8
163.11197	16.7
169.10175	8.1
171.10347	3.2
171.11731	9.9
173.04462	5.7
173.09517	2.9
173.11946	2.8
173.13303	10.7
177.12785	6.1
179.14282	3.7
181.12273	3.4
183.11670	6.2
185.13287	4.4
187.14804	2.6
189.11282	4.8
195.13849	7.2
197.13287	4.0
199.14935	5.3
201.12730	3.8
209.93111	2.4
211.14925	3.2
213.16478	3.1
227.12799	9.4
229.14247	3.1
229.19556	3.5
247.20578	6.4
255.15883	14.6
257.19037	14.8
259.20624	3.2
267.15759	4.5
269.17490	48.4
273.18134	3.1
275.20078	66.0
291.19510	3.4
293.20993	6.2
321.24326	3.1
331.22595	6.0
349.23755	64.1
367.24750	9.1
413.21838	3.4
431.27945	4.0
435.27173	6.0
437.80920	2.4
445.29504	6.4
449.29089	33.8
463.30615	44.8
503.33957	3.3
525.35901	12.4
526.84802	2.7
529.35529	13.0
543.36902	82.1
547.36487	3.1
561.37695	10.0
607.34436	6.6
623.43451	18.2
641.44037	7.7
705.41254	4.1
731.37457	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	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04982	6.8
72.98255	1.8
73.02914	5.3
76.52678	1.5
77.03946	2.5
78.76628	1.5
79.05499	85.0
79.44626	1.4
81.03420	17.2
81.07058	100.0
83.04987	15.2
83.08633	14.0
85.02908	19.9
85.06522	4.4
91.03960	7.9
91.05486	99.0
92.05807	1.7
93.07047	84.2
95.04982	17.3
95.08614	57.8
95.80564	1.5
96.04472	1.9
97.02895	19.4
97.06535	14.5
97.10177	7.0
99.04462	3.4
99.08097	6.4
101.02406	1.6
101.42255	1.5
103.05481	5.4
105.04518	3.5
105.07036	79.7
107.04969	7.8
107.08606	40.4
109.02869	4.2
109.06505	10.1
109.09489	2.5
109.10167	24.1
111.04409	4.1
111.08097	7.7
111.62642	1.6
115.05457	8.4
116.06207	2.8
117.07031	40.5
119.08589	58.9
121.06487	6.7
121.10139	28.2
121.58584	1.4
123.08074	6.2
123.11723	4.3
125.09626	6.0
126.65820	1.5
127.03935	13.9
128.06242	7.6
129.05475	4.9
129.07018	26.3
130.07779	2.0
131.04858	2.3
131.08582	48.4
133.06523	3.3
133.10139	48.3
135.08064	6.7
135.11696	20.9
137.09627	3.9
139.07506	2.0
139.11241	1.9
141.07005	10.6
142.07761	5.8
143.08583	25.9
144.09323	2.6
145.04994	11.0
145.06487	4.0
145.10130	37.3
147.08101	4.9
147.11710	31.4
149.09648	10.6
149.13266	16.9
151.07545	2.5
151.11224	2.0
153.07004	2.6
155.08568	15.7
156.09332	3.3
157.10123	20.2
159.08101	2.8
159.11708	31.8
161.09644	6.2
161.13266	15.2
163.06009	3.0
163.07458	1.7
163.11137	7.2
163.14774	1.7
165.06976	2.5
165.12784	2.6
167.08595	3.7
168.09381	2.9
169.10118	14.5
171.08121	1.8
171.10249	2.9
171.11678	22.4
173.09586	2.1
173.11800	2.6
173.13251	16.8
175.11221	4.0
175.14807	8.2
177.12782	5.7
179.08595	3.2
179.14352	3.3
181.10114	7.6
183.10213	2.4
183.11679	15.4
184.12172	1.4
185.13277	13.8
187.14854	7.4
189.12669	2.0
189.16417	1.7
191.14322	1.7
193.10194	2.5
193.12137	2.2
195.11714	6.9
195.13838	5.4
197.13281	10.8
199.11230	1.8
199.14807	9.7
201.16382	2.1
207.11732	2.7
207.13664	1.8
209.13208	5.7
211.14769	4.9
213.16469	4.0
215.14435	1.8
215.18114	1.6
217.15857	2.1
219.11748	2.2
221.13226	2.2
223.14879	3.0
225.16376	3.5
227.12697	2.4
227.18048	2.9
229.14288	2.2
229.19429	2.8
233.15274	2.1
237.16470	2.8
239.17960	4.0
241.19601	10.6
241.21764	1.6
257.19043	8.7
259.20578	20.7
261.22205	3.2
266.65283	1.5
267.15671	1.8
269.17422	17.9
271.20673	1.8
273.18536	3.3
275.20059	16.2
275.77960	1.4
277.21738	2.7
281.17535	4.5
283.20587	3.4
285.22229	1.6
289.18140	1.9
297.22226	2.3
309.21960	2.0
311.19882	1.8
313.21539	4.1
315.23264	3.6
319.22980	1.8
323.23596	1.7
331.22623	2.5
333.24292	17.9
335.25836	8.5
339.26868	3.3
349.23926	10.2
421.30942	1.8
435.32404	4.1
453.33588	3.5
471.34555	1.9
475.30133	3.3
495.34570	1.8
501.35760	2.0
513.35583	6.4
515.38538	2.2
517.40253	4.9
527.37299	19.7
533.39667	3.2
539.37225	3.6
545.38342	2.3
591.43640	2.3
607.43524	10.1
609.45221	39.7
610.45905	2.2
625.45001	8.8
721.23981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04998	7.0
71.48859	2.7
73.02934	2.8
77.03960	2.7
79.05500	79.8
81.03424	21.3
81.07059	100.0
83.04995	20.3
83.08613	22.4
85.02929	12.2
85.06546	6.1
91.05484	79.4
93.07049	72.5
94.75437	2.4
95.04983	18.5
95.08611	50.8
97.02900	13.1
97.06535	24.5
97.10168	10.8
99.04461	5.2
99.08097	3.1
103.05474	3.8
105.04543	2.5
105.07035	69.0
107.04945	13.0
107.08592	51.6
109.02866	3.4
109.06531	15.0
109.10187	22.9
111.08073	7.9
115.05486	3.6
117.07018	25.6
119.08595	43.2
121.06533	6.0
121.10159	23.9
123.08058	8.5
123.11737	5.8
125.06157	2.6
125.09633	10.4
127.03928	6.1
128.06276	4.1
129.05530	2.9
129.07024	13.8
131.08575	36.7
133.10155	35.3
135.08134	6.2
135.11691	26.4
137.09634	7.6
141.07028	7.2
143.08548	13.1
145.10138	34.0
147.08093	4.3
147.11696	18.6
149.09627	20.1
149.13258	18.8
151.11147	3.5
154.07764	2.7
155.08557	7.7
157.10197	9.8
159.08020	2.9
159.11685	25.9
161.09602	3.6
161.13263	8.8
163.11197	16.7
169.10175	8.1
171.10347	3.2
171.11731	9.9
173.04462	5.7
173.09517	2.9
173.11946	2.8
173.13303	10.7
177.12785	6.1
179.14282	3.7
181.12273	3.4
183.11670	6.2
185.13287	4.4
187.14804	2.6
189.11282	4.8
195.13849	7.2
197.13287	4.0
199.14935	5.3
201.12730	3.8
209.93111	2.4
211.14925	3.2
213.16478	3.1
227.12799	9.4
229.14247	3.1
229.19556	3.5
247.20578	6.4
255.15883	14.6
257.19037	14.8
259.20624	3.2
267.15759	4.5
269.17490	48.4
273.18134	3.1
275.20078	66.0
291.19510	3.4
293.20993	6.2
321.24326	3.1
331.22595	6.0
349.23755	64.1
367.24750	9.1
413.21838	3.4
431.27945	4.0
435.27173	6.0
437.80920	2.4
445.29504	6.4
449.29089	33.8
463.30615	44.8
503.33957	3.3
525.35901	12.4
526.84802	2.7
529.35529	13.0
543.36902	82.1
547.36487	3.1
561.37695	10.0
607.34436	6.6
623.43451	18.2
641.44037	7.7
705.41254	4.1
731.37457	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40984	1.2
71.04986	3.6
71.49458	2.2
73.02903	4.7
77.03917	1.6
79.05493	47.5
81.03422	8.4
81.07061	62.8
83.04961	5.6
83.08619	14.6
85.02910	21.5
85.06524	3.7
87.04449	4.5
91.03941	5.8
91.05481	31.5
93.07047	47.8
95.04980	7.0
95.08607	42.9
97.02890	9.3
97.06526	5.6
97.09627	1.6
97.10179	13.5
99.04488	1.3
99.08097	2.7
103.03947	1.7
105.07040	19.5
107.04905	4.3
107.07889	2.2
107.08595	28.3
109.06515	3.9
109.10158	61.5
111.04433	2.2
111.08071	4.7
115.05482	1.4
117.07024	8.9
119.08575	18.0
121.10148	20.8
123.08080	2.5
123.11700	5.3
125.09633	12.6
127.03899	3.3
129.07008	1.7
131.08543	14.1
133.10135	11.4
135.11690	13.4
137.09584	4.3
137.13272	2.4
143.08569	1.5
143.10651	2.6
145.04944	3.1
145.10130	11.3
147.11710	6.4
149.09650	2.2
149.13284	9.8
150.22797	1.2
153.12776	2.7
155.10672	6.6
157.10104	2.0
159.11729	6.4
161.13264	3.6
163.06023	3.2
163.11201	8.4
163.14792	4.4
169.09962	2.2
171.11627	2.8
173.09763	1.2
173.10127	1.5
173.11728	14.8
173.13274	6.6
175.14827	1.9
181.12222	2.0
186.22398	1.5
187.14882	4.2
188.76056	1.3
189.16422	1.5
191.10744	2.6
193.12262	3.5
199.13248	4.6
209.11745	7.1
227.12804	9.5
229.14346	50.5
243.21109	4.1
245.13943	1.9
257.13940	2.0
259.20605	2.1
261.22134	21.8
267.15891	5.1
283.15427	1.9
301.16473	16.7
315.23209	1.4
317.24805	2.4
327.22964	2.8
335.25800	100.0
336.26007	2.7
363.25293	2.2
399.23874	16.1
451.31583	1.7
461.22122	1.4
466.85632	1.6
469.32593	2.2
477.35822	8.0
489.35669	27.1
543.36792	3.7
561.37842	10.8
579.39374	6.6
644.47540	1.6
659.45184	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40984	1.2
71.04986	3.6
71.49458	2.2
73.02903	4.7
77.03917	1.6
79.05493	47.5
81.03422	8.4
81.07061	62.8
83.04961	5.6
83.08619	14.6
85.02910	21.5
85.06524	3.7
87.04449	4.5
91.03941	5.8
91.05481	31.5
93.07047	47.8
95.04980	7.0
95.08607	42.9
97.02890	9.3
97.06526	5.6
97.09627	1.6
97.10179	13.5
99.04488	1.3
99.08097	2.7
103.03947	1.7
105.07040	19.5
107.04905	4.3
107.07889	2.2
107.08595	28.3
109.06515	3.9
109.10158	61.5
111.04433	2.2
111.08071	4.7
115.05482	1.4
117.07024	8.9
119.08575	18.0
121.10148	20.8
123.08080	2.5
123.11700	5.3
125.09633	12.6
127.03899	3.3
129.07008	1.7
131.08543	14.1
133.10135	11.4
135.11690	13.4
137.09584	4.3
137.13272	2.4
143.08569	1.5
143.10651	2.6
145.04944	3.1
145.10130	11.3
147.11710	6.4
149.09650	2.2
149.13284	9.8
150.22797	1.2
153.12776	2.7
155.10672	6.6
157.10104	2.0
159.11729	6.4
161.13264	3.6
163.06023	3.2
163.11201	8.4
163.14792	4.4
169.09962	2.2
171.11627	2.8
173.09763	1.2
173.10127	1.5
173.11728	14.8
173.13274	6.6
175.14827	1.9
181.12222	2.0
186.22398	1.5
187.14882	4.2
188.76056	1.3
189.16422	1.5
191.10744	2.6
193.12262	3.5
199.13248	4.6
209.11745	7.1
227.12804	9.5
229.14346	50.5
243.21109	4.1
245.13943	1.9
257.13940	2.0
259.20605	2.1
261.22134	21.8
267.15891	5.1
283.15427	1.9
301.16473	16.7
315.23209	1.4
317.24805	2.4
327.22964	2.8
335.25800	100.0
336.26007	2.7
363.25293	2.2
399.23874	16.1
451.31583	1.7
461.22122	1.4
466.85632	1.6
469.32593	2.2
477.35822	8.0
489.35669	27.1
543.36792	3.7
561.37842	10.8
579.39374	6.6
644.47540	1.6
659.45184	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14637	2.0
59.99155	1.7
59.99943	2.4
62.16275	1.6
66.05699	1.7
68.02636	1.8
71.25063	2.6
82.99834	9.0
83.01497	12.4
84.01199	2.2
101.00890	61.0
101.02566	31.2
102.02222	2.0
113.52690	2.1
119.01929	100.0
119.03680	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	1018.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04984	7.1
73.02910	2.8
77.03936	2.9
79.05498	88.5
80.05836	2.2
81.03425	23.3
81.07059	100.0
83.04977	18.0
83.08631	21.2
85.02902	19.0
85.06543	4.6
91.03960	5.9
91.05485	93.3
92.05798	3.4
93.07049	94.5
95.04981	17.2
95.08611	59.4
97.02888	13.9
97.06542	18.2
97.10165	9.1
99.04453	4.1
99.08101	5.2
103.05431	2.8
105.04529	2.0
105.07034	78.1
107.04959	12.6
107.08601	52.3
108.08933	2.2
109.02881	4.1
109.06506	11.0
109.10165	26.1
111.04478	2.3
111.08091	8.4
113.09672	1.9
115.05447	7.1
116.06261	3.3
117.07018	34.0
119.04921	2.5
119.08585	58.1
121.06528	8.0
121.10148	31.6
121.10956	3.2
123.08062	7.5
123.11716	7.0
125.09637	8.6
125.60361	1.4
127.03939	5.7
128.06248	7.4
129.05490	5.0
129.07007	19.5
130.07805	3.1
131.08575	43.7
133.06528	3.4
133.10139	44.4
135.08064	8.8
135.11694	21.9
137.05995	2.2
137.09630	6.7
139.11180	2.1
141.07025	5.1
142.07826	4.6
143.08553	17.5
144.09285	1.8
145.04930	2.5
145.06459	2.7
145.10135	32.2
147.08072	2.9
147.11688	30.6
149.09653	18.9
149.13324	15.4
151.11177	5.6
152.05743	1.9
153.07028	2.1
154.07787	2.3
155.08537	8.4
156.09300	2.1
157.10162	17.2
159.08069	4.1
159.11710	31.6
161.09662	4.2
161.13261	15.7
163.06009	1.9
163.11166	12.0
165.12776	3.1
167.08586	4.0
168.09421	2.8
169.10109	14.1
171.10248	2.8
171.11665	19.3
173.04466	2.8
173.13260	14.2
175.11171	3.2
175.14807	5.4
177.12732	4.7
179.08566	2.8
179.14357	3.7
181.10152	5.2
183.11681	9.6
184.07431	1.7
185.13235	12.1
187.11215	2.5
187.14853	5.5
189.11188	3.7
189.12755	3.3
193.10130	1.7
195.11734	6.3
195.13835	7.7
197.13284	8.3
199.14845	5.9
201.12686	2.1
201.16577	2.4
203.14363	1.9
207.11748	4.5
209.13249	6.5
211.14874	5.5
213.12909	1.8
213.16489	3.0
215.17892	1.9
221.13402	2.6
223.14809	3.2
227.12804	7.4
229.14297	4.4
229.19527	3.0
231.21179	2.4
237.16408	2.9
239.17931	5.5
241.19630	8.6
253.14384	4.8
255.15877	5.1
257.19022	11.6
259.20575	23.2
267.15945	3.3
269.17429	25.9
273.18585	4.3
275.20096	34.0
289.21796	2.8
291.19498	3.9
293.21014	2.9
303.15802	2.2
315.23343	3.4
331.22867	3.6
333.24274	15.5
349.23761	23.7
365.23343	2.1
367.24527	2.5
409.47461	2.1
413.21603	1.8
431.28085	2.0
433.30768	2.9
435.32413	3.6
445.29865	2.0
449.28922	3.8
454.22028	2.0
463.30374	6.2
487.33789	2.4
509.36591	2.3
513.35925	18.9
515.37988	4.4
525.35480	3.6
527.37476	20.3
529.35547	2.9
543.37048	13.5
547.34869	1.8
559.36041	2.2
561.37109	1.8
607.43536	17.7
623.42188	3.2
625.44617	12.7
626.44336	2.0
641.43573	4.1
708.60443	1.9
863.15674	2.1
963.73315	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04991	5.6
71.49373	3.0
73.02925	3.0
77.03900	2.5
79.05498	89.4
80.05779	2.3
81.03416	18.6
81.07062	94.1
83.04984	16.7
83.08617	18.2
85.02927	14.2
85.06531	7.3
91.03928	3.6
91.05484	100.0
93.06492	5.2
93.07050	84.5
95.04996	11.2
95.08614	57.1
96.08970	2.3
97.02886	7.9
97.06526	15.0
97.10165	8.1
99.04465	2.7
99.08125	2.8
103.05489	4.0
105.07037	94.7
107.04954	11.2
107.08598	48.5
107.74052	2.1
107.88054	2.2
109.06520	10.3
109.10153	21.7
111.08088	6.3
115.05464	5.8
117.07016	31.1
119.08591	69.3
121.06509	4.4
121.10134	28.4
123.08086	9.3
123.11705	4.5
125.05965	2.4
125.09670	4.9
127.03935	6.1
127.74691	2.3
128.06242	5.8
129.06982	22.7
130.07822	2.6
130.58299	2.3
131.08583	49.2
133.10139	53.1
135.08072	7.9
135.11693	23.8
137.09653	4.3
141.06984	7.8
142.07796	5.4
143.08582	23.6
145.06516	4.0
145.10132	40.4
147.08041	4.5
147.11691	38.8
149.09639	12.1
149.13226	16.8
151.11203	4.9
155.08620	13.2
156.09380	3.8
157.10138	21.1
159.11707	27.6
161.09581	2.6
161.13286	19.0
163.11229	5.6
163.14825	4.8
165.12852	2.8
167.08614	5.0
169.10133	17.3
171.11697	20.1
173.04474	4.2
173.13261	15.4
175.11168	5.6
175.14833	11.4
177.12769	4.9
181.10124	12.2
182.10707	3.0
183.11723	14.9
185.13292	18.8
187.11159	3.7
187.14804	6.5
193.10223	3.3
195.11719	9.8
195.13647	3.1
197.13298	10.2
199.14868	8.6
201.12863	2.5
201.16434	3.7
206.53624	2.5
207.11684	5.5
209.13246	8.0
211.11116	2.5
211.14873	5.7
213.16345	5.1
215.18016	4.2
219.11789	2.5
221.13272	2.8
223.14827	6.2
225.16423	5.3
227.12769	3.8
228.14322	2.6
229.14249	3.0
231.21129	3.1
239.18007	2.8
241.19589	18.5
243.21251	2.7
245.13834	2.4
255.15977	8.8
257.19058	7.2
259.20572	44.2
261.22183	2.5
267.15955	4.7
269.17435	17.7
273.18503	3.0
275.20148	22.1
291.19748	2.7
293.21057	2.2
313.21494	2.5
315.23129	7.3
327.23416	2.9
327.27490	2.5
333.24274	52.0
335.25851	7.4
349.23889	14.5
435.32526	6.2
453.33481	6.8
471.34604	3.0
509.36346	4.0
513.35968	22.6
515.38037	8.3
527.30133	3.4
527.37390	47.8
531.36615	4.9
545.38361	11.1
551.40887	3.1
607.43677	41.7
608.43365	2.5
625.44507	43.6
643.45154	5.1
653.39941	3.6
702.81360	3.0
751.47516	3.4
769.48853	2.9
994.76630	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	1002.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04976	5.0
73.02895	4.5
77.03926	3.0
79.05492	88.9
81.03429	11.4
81.07056	100.0
83.04979	11.6
83.08626	17.3
85.02901	19.1
85.06525	4.9
91.03951	8.2
91.05482	99.7
93.07043	90.6
93.07648	3.8
95.04962	16.0
95.08608	68.5
97.02891	18.4
97.06525	12.5
97.10158	7.9
98.20638	1.6
99.04460	3.7
99.08086	4.5
103.05452	6.0
103.74173	1.7
104.91499	1.5
105.04518	2.7
105.07032	98.1
106.07340	2.1
107.04964	8.1
107.08601	48.2
107.23581	1.7
109.02872	2.7
109.06500	7.3
109.10151	29.2
111.04452	3.6
111.08056	6.0
111.11761	1.9
113.09624	2.0
115.03882	1.8
115.05448	7.7
116.06234	2.8
117.06244	2.6
117.07020	44.9
119.08581	68.0
121.06487	3.5
121.10138	37.0
123.08041	8.9
123.11693	7.6
125.09628	6.8
127.03935	8.8
128.06209	9.2
129.05446	5.8
129.06996	30.8
130.07774	4.7
131.08559	51.4
133.06499	3.3
133.10135	50.3
135.08049	6.4
135.11691	21.2
137.09590	6.0
141.06976	9.5
142.07756	5.7
143.07530	2.1
143.08572	29.0
145.04979	6.3
145.06505	4.9
145.10124	48.1
147.08014	4.3
147.10522	2.0
147.11688	33.6
149.09583	9.3
149.13260	15.6
151.11205	3.8
153.07007	1.7
154.07733	4.6
155.08551	20.7
156.09273	2.1
157.10138	27.3
159.08034	3.7
159.11702	34.9
161.09621	4.8
161.13280	18.2
163.06038	3.4
163.11160	8.7
163.14862	3.1
165.07001	1.6
165.12726	2.2
166.07823	1.7
167.08600	8.7
168.09317	2.7
169.10155	22.9
171.11697	27.3
171.62173	1.7
173.09650	2.9
173.11868	2.6
173.13249	21.1
175.11154	2.4
175.14815	6.7
177.12740	3.4
179.08556	2.8
179.14247	2.4
181.10083	11.1
182.10966	2.5
183.08046	2.3
183.11703	21.8
185.09659	2.4
185.13263	18.8
187.11172	1.8
187.14799	6.7
189.12741	2.6
189.16385	2.2
193.10098	4.8
195.11682	10.3
195.13686	4.5
197.13248	15.7
199.14844	16.2
201.16338	3.2
205.15845	2.1
207.11687	4.3
209.13327	8.9
211.14861	9.7
213.16434	7.8
215.14287	1.8
215.17946	4.1
221.13254	3.9
223.14842	6.9
225.16347	5.1
227.12788	3.6
227.17972	5.0
229.14310	4.4
231.21169	2.2
235.14864	2.9
237.16350	4.8
239.17894	7.3
241.19580	11.1
243.12206	1.9
243.17397	1.7
243.21085	2.3
247.14836	1.8
249.16370	3.3
251.17946	3.8
253.19560	2.1
255.17418	2.0
257.19016	8.3
259.18011	2.8
259.20596	29.3
261.22040	3.7
263.17783	1.9
267.16226	2.0
267.21182	2.1
269.17279	12.0
271.17007	2.5
271.20203	2.3
273.18521	2.7
275.20181	11.4
279.21005	2.6
285.22092	2.4
291.19473	3.4
297.22113	2.3
299.20013	1.8
301.21542	3.0
309.21866	2.6
315.23196	5.0
323.23788	3.3
331.22461	2.8
333.24341	23.1
334.88748	1.9
335.26218	11.4
349.23773	6.5
351.26804	2.4
355.26346	3.0
365.23471	3.1
377.28317	2.2
417.31320	3.2
435.32443	5.3
445.31665	1.9
453.33679	3.6
471.34927	2.9
501.35760	2.6
513.35541	7.1
515.37671	4.4
517.40338	9.3
525.35522	3.4
527.30029	2.8
527.37329	28.3
533.40118	2.6
535.41235	3.6
539.37030	3.3
591.43835	4.8
607.43372	14.9
609.45135	71.1
610.44781	3.3
625.44647	17.1
771.50537	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	1002.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04991	5.6
71.49373	3.0
73.02925	3.0
77.03900	2.5
79.05498	89.4
80.05779	2.3
81.03416	18.6
81.07062	94.1
83.04984	16.7
83.08617	18.2
85.02927	14.2
85.06531	7.3
91.03928	3.6
91.05484	100.0
93.06492	5.2
93.07050	84.5
95.04996	11.2
95.08614	57.1
96.08970	2.3
97.02886	7.9
97.06526	15.0
97.10165	8.1
99.04465	2.7
99.08125	2.8
103.05489	4.0
105.07037	94.7
107.04954	11.2
107.08598	48.5
107.74052	2.1
107.88054	2.2
109.06520	10.3
109.10153	21.7
111.08088	6.3
115.05464	5.8
117.07016	31.1
119.08591	69.3
121.06509	4.4
121.10134	28.4
123.08086	9.3
123.11705	4.5
125.05965	2.4
125.09670	4.9
127.03935	6.1
127.74691	2.3
128.06242	5.8
129.06982	22.7
130.07822	2.6
130.58299	2.3
131.08583	49.2
133.10139	53.1
135.08072	7.9
135.11693	23.8
137.09653	4.3
141.06984	7.8
142.07796	5.4
143.08582	23.6
145.06516	4.0
145.10132	40.4
147.08041	4.5
147.11691	38.8
149.09639	12.1
149.13226	16.8
151.11203	4.9
155.08620	13.2
156.09380	3.8
157.10138	21.1
159.11707	27.6
161.09581	2.6
161.13286	19.0
163.11229	5.6
163.14825	4.8
165.12852	2.8
167.08614	5.0
169.10133	17.3
171.11697	20.1
173.04474	4.2
173.13261	15.4
175.11168	5.6
175.14833	11.4
177.12769	4.9
181.10124	12.2
182.10707	3.0
183.11723	14.9
185.13292	18.8
187.11159	3.7
187.14804	6.5
193.10223	3.3
195.11719	9.8
195.13647	3.1
197.13298	10.2
199.14868	8.6
201.12863	2.5
201.16434	3.7
206.53624	2.5
207.11684	5.5
209.13246	8.0
211.11116	2.5
211.14873	5.7
213.16345	5.1
215.18016	4.2
219.11789	2.5
221.13272	2.8
223.14827	6.2
225.16423	5.3
227.12769	3.8
228.14322	2.6
229.14249	3.0
231.21129	3.1
239.18007	2.8
241.19589	18.5
243.21251	2.7
245.13834	2.4
255.15977	8.8
257.19058	7.2
259.20572	44.2
261.22183	2.5
267.15955	4.7
269.17435	17.7
273.18503	3.0
275.20148	22.1
291.19748	2.7
293.21057	2.2
313.21494	2.5
315.23129	7.3
327.23416	2.9
327.27490	2.5
333.24274	52.0
335.25851	7.4
349.23889	14.5
435.32526	6.2
453.33481	6.8
471.34604	3.0
509.36346	4.0
513.35968	22.6
515.38037	8.3
527.30133	3.4
527.37390	47.8
531.36615	4.9
545.38361	11.1
551.40887	3.1
607.43677	41.7
608.43365	2.5
625.44507	43.6
643.45154	5.1
653.39941	3.6
702.81360	3.0
751.47516	3.4
769.48853	2.9
994.76630	2.8
END